#DEFINITION	Reference Metabolome for Toxicodendron succedaneum
#IDENTTFIER	RefMeta-Toxicodendron succedaneum.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Toxicodendron succedaneum
#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 Toxicodendron succedaneum 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	337.2738
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
52.70313	0.9
53.03946	1.9
53.53358	1.2
55.01864	0.8
55.05517	33.1
56.05825	1.2
57.03442	21.7
57.07074	8.0
65.03941	2.9
67.05510	77.8
68.05827	1.1
69.03441	0.9
69.07075	42.6
71.04996	1.4
71.08633	2.1
71.51715	1.5
71.76131	1.0
79.05499	19.8
81.07062	80.7
82.07381	1.3
83.04972	2.0
83.08157	1.6
83.08627	23.7
85.06541	3.0
91.05491	13.1
93.07053	19.5
95.04961	1.3
95.08616	59.9
97.06530	3.9
97.10189	10.5
98.33272	0.9
99.08089	2.1
105.04542	0.9
105.07037	10.8
105.74727	0.8
107.08613	11.0
109.06493	1.1
109.10166	19.1
111.08071	2.2
111.11716	3.8
119.08592	8.4
121.10147	10.9
123.08079	0.9
123.11716	11.2
124.85374	0.9
127.11261	1.0
131.08591	1.3
133.10141	6.6
135.11711	4.1
137.09660	1.1
137.13333	4.3
143.08417	0.8
145.10187	1.2
147.11703	5.4
148.09608	0.8
149.13251	3.5
151.14854	2.0
157.10005	0.9
159.40768	1.0
161.13249	4.5
163.14835	3.1
175.14857	4.0
177.16335	1.3
187.07588	1.2
189.16449	2.1
245.22736	3.0
263.23685	4.8
319.20505	1.1
320.02548	1.0
337.27390	100.0
338.27771	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2738
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03936	2.3
55.01870	2.6
55.05516	38.1
57.03442	23.2
57.07083	5.6
62.96521	1.0
63.89743	1.0
65.03948	3.8
67.05511	86.5
69.07074	50.2
71.05008	2.9
71.08630	2.6
76.15245	0.9
79.05077	2.0
79.05501	26.0
81.07062	86.5
83.04970	2.9
83.08623	23.9
85.06559	2.5
91.05482	16.3
93.07055	22.7
95.04961	2.1
95.08616	63.7
97.06527	4.5
97.10181	11.4
99.08090	2.8
105.07039	11.0
107.08606	11.7
109.06538	1.8
109.10171	24.0
111.08101	3.3
111.11724	3.0
113.09714	1.4
119.08593	9.7
121.10144	8.7
123.08051	1.1
123.11706	11.8
131.08603	1.5
133.10120	8.3
135.11729	6.2
137.13249	3.9
138.01231	1.1
139.11206	1.3
145.10083	1.2
147.11703	5.5
149.13237	2.3
151.11313	1.0
161.13266	4.1
163.14896	2.8
175.14847	1.7
177.16470	1.3
189.16388	1.6
195.29572	1.1
198.31432	1.0
212.43094	1.0
245.22702	2.8
255.24220	1.2
257.02060	1.1
263.23782	4.2
292.05847	1.1
305.60999	1.4
326.08752	1.0
337.27402	100.0
338.27640	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	337.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	22.9
58.29483	17.2
70.06585	91.3
70.42805	17.8
71.02124	27.2
71.02486	42.0
85.02898	39.0
98.97598	69.5
101.44138	16.9
104.76006	16.4
112.07616	81.2
153.01848	47.9
158.08151	100.0
161.07138	21.2
163.03998	38.9
178.06310	18.7
235.02502	31.8
237.02722	24.2
267.15573	68.8
275.62201	21.5
319.12894	53.1
325.44507	17.8
337.02084	26.4
337.08704	21.1
337.13913	73.6
349.07980	19.1
355.13104	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	337.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
61.03106	0.3
63.94633	0.3
67.05497	0.6
67.18977	0.3
69.03423	0.7
69.07067	0.4
70.67975	0.5
79.01858	7.9
79.05494	0.6
81.07050	1.2
83.04935	0.3
87.08117	0.4
91.05491	0.4
93.07036	0.8
95.04952	0.5
95.08604	1.0
97.02904	1.4
97.06534	0.3
105.07052	0.6
107.01350	1.8
107.08640	0.3
109.10136	0.6
119.08588	0.7
121.10137	0.4
123.00861	0.3
123.04492	0.3
125.02355	3.8
126.03115	0.5
133.10126	0.6
137.09604	0.6
143.03398	7.8
145.10117	0.5
146.09550	0.3
147.08040	0.3
147.11646	0.3
148.55829	0.2
153.01839	100.0
153.02921	7.6
154.02151	0.5
157.10141	0.3
161.09662	0.3
163.11148	0.3
189.03915	0.3
206.83900	0.2
277.31491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0898
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
55.77348	3.3
63.33872	2.9
66.72955	2.7
70.73046	10.5
89.52674	3.1
142.17366	3.1
145.20412	3.1
166.36035	3.0
198.54736	3.3
214.58517	3.4
337.08734	100.0
341.82339	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03934	3.3
55.01875	1.6
55.05516	15.3
57.03437	20.2
57.07062	3.5
65.03936	2.7
65.39703	1.0
67.05509	70.1
69.07072	13.1
70.10737	4.4
71.04985	2.0
79.05496	37.8
81.07061	69.4
83.04984	1.3
83.08614	7.0
85.06533	1.9
91.05485	17.9
93.07045	42.4
94.95206	1.1
95.04958	2.5
95.08614	60.3
97.06522	2.2
97.10164	2.7
105.04516	1.4
105.07030	14.0
107.08609	24.8
109.06519	1.5
109.10166	31.1
109.10916	1.7
117.07022	5.2
118.84383	1.1
119.08570	11.1
121.10149	17.5
123.08102	1.4
123.11715	9.3
125.09633	1.6
128.46550	1.2
131.08588	8.4
133.10138	11.0
135.11700	16.9
137.13251	2.8
145.10143	7.5
147.11673	7.4
149.13254	10.2
151.11143	1.2
159.11732	6.5
161.13214	5.3
163.14801	6.1
173.13278	6.7
175.14801	3.3
177.16377	1.7
187.14832	3.5
202.04068	1.1
243.21129	7.2
261.22202	12.2
279.23492	1.8
317.24588	2.7
335.25824	100.0
336.26266	2.8
342.43988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03941	3.5
54.52239	1.3
55.05517	25.0
57.03445	22.4
57.07065	2.7
63.27138	1.0
65.03938	4.1
67.05508	96.9
68.96230	1.4
69.07073	22.4
71.05001	1.6
73.17080	1.2
79.05501	48.0
81.07059	92.2
83.04977	2.4
83.08622	9.8
83.91117	1.3
85.06531	1.4
91.05486	24.8
93.07049	57.2
95.04987	3.2
95.08612	70.1
97.06516	3.2
97.10157	4.9
99.08134	1.6
105.07043	16.4
107.08599	25.9
109.06520	1.5
109.09471	2.4
109.10163	29.1
117.07008	3.6
119.08575	10.9
121.10146	19.3
123.08125	2.6
123.11710	11.2
131.08592	9.5
133.10124	9.8
135.11702	16.8
137.13197	3.4
145.10164	7.1
147.11679	5.8
149.13264	10.2
159.11699	3.7
161.13278	5.4
163.14883	3.2
173.13274	4.9
175.14807	1.5
177.12737	1.5
187.14784	3.3
188.94789	1.3
243.20992	2.0
261.22113	8.9
317.24933	2.4
335.25809	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	335.2582
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03943	5.3
55.05268	2.0
55.05516	24.6
57.03442	24.8
57.07067	5.6
59.66362	1.3
65.03928	4.7
67.05509	100.0
69.07076	22.4
70.82234	2.7
71.04993	3.1
79.05496	52.0
81.07063	95.5
83.04963	2.4
83.08634	9.9
83.92204	1.3
85.06548	2.9
85.29177	1.3
91.05484	25.3
91.49699	1.5
93.07052	53.5
95.04952	3.4
95.08614	75.4
97.06535	3.5
97.10186	4.2
105.04518	1.7
105.07041	17.7
105.15388	1.6
107.08607	27.1
109.06505	2.5
109.10159	33.5
111.08091	2.1
112.87399	1.5
117.07026	5.2
119.08578	12.7
121.10152	23.2
123.08070	3.7
123.11744	9.8
131.08574	9.7
133.10130	11.1
135.08022	1.7
135.11702	13.7
137.13274	3.5
145.10150	6.1
147.11647	7.6
149.13295	8.6
159.11711	4.6
161.13246	6.6
163.14806	4.5
173.13292	3.4
175.14812	3.5
177.16489	1.6
179.14362	2.7
187.14955	2.3
191.14333	2.4
206.44383	1.9
243.21164	4.0
261.22198	12.6
317.24490	1.7
335.25845	96.5
336.25851	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	335.258
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
50.15116	0.9
52.08560	0.9
52.29367	0.9
53.03942	4.6
55.05273	1.1
55.05515	18.2
57.03442	24.0
57.07061	2.9
65.03940	2.4
67.05506	86.3
69.07069	17.2
69.26149	7.8
71.04980	2.0
77.03936	1.4
79.05495	51.8
81.07060	84.2
83.04951	2.0
83.08626	10.6
85.06511	2.1
91.05489	25.4
93.07047	52.6
95.04978	2.8
95.08611	65.3
97.06525	2.8
97.10172	2.4
98.21502	1.9
99.08100	1.8
105.04499	1.2
105.07037	16.2
107.08598	27.7
109.06539	1.3
109.10157	25.7
111.08067	1.3
113.58953	1.0
117.06995	4.6
119.08575	12.7
121.10141	21.4
123.11710	8.2
125.09591	1.0
131.08553	8.7
133.10146	10.1
135.08043	1.1
135.11687	12.9
137.09616	1.6
137.13264	3.4
141.74547	0.9
143.08604	1.1
145.10104	5.8
147.11700	5.8
149.13275	7.4
151.11194	1.0
157.10107	1.3
159.11703	5.5
161.13263	4.7
163.14806	4.1
173.13292	5.5
175.14876	2.5
179.14296	1.0
184.89558	0.9
187.14778	2.0
201.16370	1.6
243.21068	4.7
261.22162	7.8
279.23111	1.2
317.24777	2.9
335.25818	100.0
336.26398	2.7
357.26547	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.2
55.01855	1.6
55.05514	27.1
57.03442	26.6
57.07085	3.0
61.00056	1.3
65.03956	5.6
67.05508	100.0
69.07072	24.5
71.05001	7.6
79.05497	61.6
81.07059	95.7
83.04996	3.1
83.08628	12.7
85.06561	3.2
88.21445	1.3
91.05485	40.5
91.06024	2.6
93.07047	62.6
93.07639	3.0
95.04981	10.2
95.08611	75.6
97.06549	6.4
97.10194	3.7
99.08096	3.8
105.04561	2.4
105.07039	42.0
107.08606	39.7
107.09310	2.9
109.06548	6.7
109.10154	31.9
109.10824	2.8
111.08092	2.7
115.64690	1.4
116.06284	2.0
117.07005	9.4
119.08586	33.9
119.09356	2.2
121.06585	1.8
121.10148	31.5
123.08112	4.7
123.11713	13.2
125.09664	1.7
128.06241	2.8
129.07005	7.2
130.07811	1.4
131.08580	34.8
133.10133	35.0
133.11061	1.9
135.08116	4.3
135.11705	18.7
137.09692	2.7
137.13298	2.2
141.07092	2.9
142.07870	5.0
143.08551	11.0
143.26907	1.7
144.09389	1.6
145.10136	24.4
147.11703	11.8
149.09702	2.7
149.13269	10.3
155.08624	5.4
156.09430	5.7
157.10121	15.7
158.11000	6.2
159.11708	10.6
161.09630	3.1
161.13309	6.6
163.14919	4.4
167.08667	2.2
169.10216	6.4
171.11664	10.4
173.13278	20.9
173.14482	1.8
175.14903	6.8
179.08585	2.5
180.09341	1.8
181.10173	3.5
182.10951	3.1
183.11769	2.7
184.12593	1.4
185.13368	6.0
187.14868	8.3
193.10149	2.6
195.11836	6.4
196.12555	2.1
197.13292	8.9
199.14906	6.1
201.16565	1.8
206.10870	1.8
207.11807	3.4
208.12592	1.8
209.13353	5.6
211.14894	4.1
212.15686	2.9
213.12952	1.7
221.13371	4.7
222.14207	2.1
223.14854	2.6
235.14952	1.8
243.21243	3.4
251.18105	1.9
257.69461	1.4
261.16434	1.6
261.22235	6.6
277.19662	5.5
292.21948	2.2
335.25986	99.6
336.25931	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	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.1
69.07066	1.7
70.06567	0.8
70.75153	1.1
70.75479	1.1
73.91100	0.6
79.05479	0.9
81.07049	0.9
81.60681	0.7
84.08107	1.0
91.05478	1.2
92.05033	0.8
94.06549	1.1
95.04958	1.1
96.04490	1.2
96.73983	0.6
97.06494	0.8
105.07027	1.0
108.04486	1.6
109.06495	0.9
110.05988	1.3
118.06555	0.9
120.04480	1.1
120.08069	0.7
122.06007	3.3
124.07574	1.2
128.06216	1.4
129.07047	1.3
130.06538	0.9
131.07306	0.7
132.08112	1.0
134.05948	0.8
136.07605	4.3
141.06920	0.8
143.07257	1.3
143.08504	0.9
144.08105	2.7
146.06020	1.9
146.09651	1.1
147.09189	1.2
150.05499	2.0
153.01839	1.6
154.06541	0.8
155.07341	1.5
155.08600	0.9
156.08102	2.8
157.08937	0.9
158.08463	1.1
158.09666	3.5
160.07576	2.9
161.10814	1.4
164.07085	1.9
168.08054	0.7
170.06030	1.5
170.09669	4.3
171.09142	0.8
172.07593	8.6
172.09949	3.0
172.11298	1.4
173.10732	3.2
174.07838	1.6
174.09181	2.1
175.08716	4.8
182.08315	1.1
183.06761	1.6
183.09279	0.8
184.07593	10.3
185.07111	1.2
186.07788	1.6
186.09152	5.4
186.11613	0.9
187.08704	2.2
187.12305	5.3
188.07062	2.1
188.09349	0.9
188.10799	1.0
189.10181	4.0
196.10065	0.8
198.09198	9.9
199.08643	4.2
200.07079	12.0
200.09404	4.9
200.10995	1.5
201.06506	0.8
201.10216	13.1
202.08617	1.2
203.08163	0.9
211.08733	3.6
212.07166	4.3
213.06563	2.1
213.10162	1.3
214.07278	2.7
214.08807	2.4
214.10497	0.8
215.08157	2.0
215.11797	16.5
216.08733	1.0
216.10464	1.0
217.09692	6.5
225.10197	3.4
226.08630	5.1
227.08168	9.6
228.06519	3.0
228.08975	2.9
229.09734	30.6
231.11212	0.8
239.08180	1.8
241.09691	2.4
242.08240	1.3
242.10565	3.0
243.11314	29.8
245.09233	26.1
253.09802	6.5
254.08061	1.2
257.09207	13.4
258.09912	2.5
259.10846	5.7
261.12277	1.7
271.10782	100.0
272.11127	1.2
273.12326	3.7
273.55951	0.7
281.09250	15.2
287.10269	29.2
288.10947	1.4
289.11847	12.4
299.10275	25.1
305.11414	8.0
317.11353	17.8
317.14926	1.6
335.12350	9.2
335.15958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.1
69.07066	1.7
70.06567	0.8
70.75153	1.1
70.75479	1.1
73.91100	0.6
79.05479	0.9
81.07049	0.9
81.60681	0.7
84.08107	1.0
91.05478	1.2
92.05033	0.8
94.06549	1.1
95.04958	1.1
96.04490	1.2
96.73983	0.6
97.06494	0.8
105.07027	1.0
108.04486	1.6
109.06495	0.9
110.05988	1.3
118.06555	0.9
120.04480	1.1
120.08069	0.7
122.06007	3.3
124.07574	1.2
128.06216	1.4
129.07047	1.3
130.06538	0.9
131.07306	0.7
132.08112	1.0
134.05948	0.8
136.07605	4.3
141.06920	0.8
143.07257	1.3
143.08504	0.9
144.08105	2.7
146.06020	1.9
146.09651	1.1
147.09189	1.2
150.05499	2.0
153.01839	1.6
154.06541	0.8
155.07341	1.5
155.08600	0.9
156.08102	2.8
157.08937	0.9
158.08463	1.1
158.09666	3.5
160.07576	2.9
161.10814	1.4
164.07085	1.9
168.08054	0.7
170.06030	1.5
170.09669	4.3
171.09142	0.8
172.07593	8.6
172.09949	3.0
172.11298	1.4
173.10732	3.2
174.07838	1.6
174.09181	2.1
175.08716	4.8
182.08315	1.1
183.06761	1.6
183.09279	0.8
184.07593	10.3
185.07111	1.2
186.07788	1.6
186.09152	5.4
186.11613	0.9
187.08704	2.2
187.12305	5.3
188.07062	2.1
188.09349	0.9
188.10799	1.0
189.10181	4.0
196.10065	0.8
198.09198	9.9
199.08643	4.2
200.07079	12.0
200.09404	4.9
200.10995	1.5
201.06506	0.8
201.10216	13.1
202.08617	1.2
203.08163	0.9
211.08733	3.6
212.07166	4.3
213.06563	2.1
213.10162	1.3
214.07278	2.7
214.08807	2.4
214.10497	0.8
215.08157	2.0
215.11797	16.5
216.08733	1.0
216.10464	1.0
217.09692	6.5
225.10197	3.4
226.08630	5.1
227.08168	9.6
228.06519	3.0
228.08975	2.9
229.09734	30.6
231.11212	0.8
239.08180	1.8
241.09691	2.4
242.08240	1.3
242.10565	3.0
243.11314	29.8
245.09233	26.1
253.09802	6.5
254.08061	1.2
257.09207	13.4
258.09912	2.5
259.10846	5.7
261.12277	1.7
271.10782	100.0
272.11127	1.2
273.12326	3.7
273.55951	0.7
281.09250	15.2
287.10269	29.2
288.10947	1.4
289.11847	12.4
299.10275	25.1
305.11414	8.0
317.11353	17.8
317.14926	1.6
335.12350	9.2
335.15958	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
54.14033	0.8
55.05516	1.4
65.03927	3.5
67.05507	8.1
69.03407	2.5
69.07072	100.0
70.37162	2.9
78.02306	0.7
78.06674	0.7
79.05473	3.6
80.04980	1.5
81.03413	2.5
81.07062	8.2
83.04987	1.0
84.08123	1.1
85.02921	0.9
85.06533	1.1
91.05480	2.0
92.05000	4.6
93.07035	3.4
94.06594	3.9
95.04967	2.5
95.08606	3.4
96.08144	0.9
97.06538	16.5
104.69617	0.7
105.07023	2.6
107.08588	2.1
109.02882	4.7
109.06512	2.3
109.10198	2.0
111.93694	0.8
115.05499	0.8
117.06997	1.0
119.03705	0.9
119.08585	1.0
120.04446	1.5
121.06509	2.1
121.10146	1.6
122.06053	7.8
123.04440	1.2
123.08071	1.7
124.07592	2.5
124.32045	0.8
125.06011	2.4
127.03885	1.4
127.85287	0.9
131.07323	1.0
131.08563	1.6
133.10114	1.5
135.11668	1.4
137.05946	4.2
137.09593	1.1
138.05498	7.2
140.07074	8.0
142.07727	1.0
142.08705	1.0
143.08522	1.0
144.08101	2.9
145.08841	3.1
145.10095	2.6
146.09641	3.6
148.03925	2.7
150.05515	78.4
151.05901	1.0
151.07587	1.0
155.08607	1.1
157.08873	3.0
157.10106	1.1
159.08081	1.1
159.10449	2.1
159.11572	0.9
160.07536	2.0
160.11311	1.4
161.08379	4.0
162.09114	2.0
163.05064	1.8
163.11182	1.3
164.03409	1.5
166.05017	29.4
168.06660	1.8
170.09715	1.0
171.11659	0.9
172.07588	2.1
172.11246	4.4
173.08348	2.1
173.09676	1.4
174.09167	1.5
174.12804	6.2
176.03442	7.0
178.05006	2.7
185.08386	2.0
187.09920	1.4
188.10661	0.9
189.09103	0.9
190.12257	4.8
192.02974	1.2
194.04503	2.6
198.07831	1.5
200.07101	1.2
200.10753	7.6
202.12277	6.7
206.11664	1.0
207.04221	0.8
213.10280	1.3
216.10223	3.2
218.08249	1.4
218.11781	27.0
226.08728	1.0
228.10204	17.8
229.13414	1.2
234.11244	2.1
243.11331	1.8
244.09917	1.8
245.12885	2.4
246.11292	24.6
255.11185	1.4
256.09775	2.0
261.12274	1.0
271.10840	5.3
272.09113	4.3
273.12292	3.4
274.10730	2.9
276.02533	1.0
287.10272	8.3
289.11826	11.0
290.10236	1.3
299.10324	5.2
317.11340	28.2
317.14990	1.8
335.12329	15.6
335.22443	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65472	1.5
55.01881	2.1
56.96565	29.5
57.03441	4.4
58.99888	1.6
61.02931	2.9
69.03436	8.5
70.55788	5.3
70.98124	17.0
70.99852	3.7
71.04990	1.7
73.02922	5.4
76.77484	1.9
81.03418	3.6
82.99843	10.6
84.04464	2.2
84.96044	4.4
85.02909	13.7
86.10557	1.6
87.04440	2.1
88.99143	4.5
97.02902	9.7
98.97588	29.1
99.04409	1.9
100.99186	3.4
101.00884	37.2
101.02408	1.9
108.08096	4.7
109.02884	3.0
109.08453	5.0
110.97559	8.9
112.95467	2.0
112.99155	5.2
113.00883	19.3
113.04504	2.4
115.02432	7.2
116.98621	7.6
119.01931	25.3
120.08117	6.1
122.54038	1.6
127.02441	4.4
127.03961	4.9
127.05060	5.2
128.98610	10.0
129.03952	3.6
130.06517	3.5
131.00281	2.6
131.01913	27.9
131.05547	11.7
132.01865	1.8
133.01712	2.6
133.03493	3.9
136.07547	1.5
137.00858	5.1
138.24873	1.7
143.00145	3.7
143.01912	100.0
144.98096	11.3
145.01720	2.3
145.03488	8.9
146.99672	9.8
147.01408	2.6
147.05078	1.9
149.06619	8.2
152.07106	2.6
153.01862	16.9
153.07544	1.6
154.96585	4.4
155.00023	1.9
155.01894	36.5
155.05530	4.9
156.02693	2.9
157.03496	4.8
158.99692	6.2
159.05029	3.9
161.02968	70.2
162.99156	5.4
165.00792	2.7
167.05595	3.2
169.03535	1.8
170.99706	4.4
172.97614	9.6
173.01515	3.3
173.03033	19.6
173.04991	3.9
173.06602	29.0
175.04559	2.4
177.00708	3.8
177.06117	5.6
182.03929	3.2
185.02982	6.3
185.04962	3.6
185.06596	31.8
186.99083	2.7
187.04587	2.2
187.08176	5.3
190.98651	6.9
191.02234	2.1
191.05974	2.5
191.07645	5.6
197.02968	2.2
197.06732	2.4
201.00645	3.0
201.06047	2.3
203.03987	12.8
203.05956	2.4
203.07655	14.5
205.00186	20.7
205.03749	1.9
213.00761	1.7
214.98790	2.6
215.04066	3.3
215.07672	13.4
217.09354	2.1
218.58582	1.8
218.98282	2.5
219.01633	8.2
221.05075	19.2
222.05270	2.1
223.01218	12.7
223.04724	4.1
227.07738	4.5
232.99739	12.6
233.08826	2.5
237.02858	8.6
241.71735	1.8
243.07603	1.7
245.05145	13.8
247.01288	4.4
250.33746	1.9
251.00752	4.1
254.06032	3.3
257.08688	7.6
263.05981	2.4
275.00870	3.5
275.09872	42.1
278.74261	2.1
289.09595	2.1
293.01892	3.5
293.10818	88.5
294.10883	2.2
296.24960	1.9
303.01608	1.8
307.10654	2.2
317.13165	3.5
335.03024	3.3
335.07599	4.1
335.11765	40.8
345.05563	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	335.074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64154	10.9
52.06330	9.9
61.02917	12.1
61.13909	9.8
70.24136	40.9
85.02937	12.5
98.97605	16.1
100.46277	10.1
101.00875	29.8
105.00341	11.0
110.46224	9.5
119.01919	28.8
127.03916	10.1
131.01897	11.3
143.01881	24.5
145.03493	21.3
155.01857	22.5
161.02879	23.9
167.01901	10.2
173.02942	16.4
185.02980	24.1
203.03998	15.4
215.00417	15.2
218.42731	10.2
219.01686	12.0
229.05495	10.2
235.06766	11.9
245.05083	24.9
263.06094	11.1
303.05518	18.1
311.05008	10.5
335.06940	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	335.074
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
50.64154	10.9
52.06330	9.9
61.02917	12.1
61.13909	9.8
70.24136	40.9
85.02937	12.5
98.97605	16.1
100.46277	10.1
101.00875	29.8
105.00341	11.0
110.46224	9.5
119.01919	28.8
127.03916	10.1
131.01897	11.3
143.01881	24.5
145.03493	21.3
155.01857	22.5
161.02879	23.9
167.01901	10.2
173.02942	16.4
185.02980	24.1
203.03998	15.4
215.00417	15.2
218.42731	10.2
219.01686	12.0
229.05495	10.2
235.06766	11.9
245.05083	24.9
263.06094	11.1
303.05518	18.1
311.05008	10.5
335.06940	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	335.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76917	1.6
56.96568	100.0
61.02924	2.4
67.06776	1.6
69.03413	6.1
69.27750	5.0
69.28176	10.9
70.98131	33.7
73.02898	4.8
74.97603	4.1
77.00816	1.8
81.03391	2.1
82.99805	1.7
84.08151	1.7
84.96033	8.3
85.02916	12.6
86.97575	5.0
87.04460	1.8
88.99166	7.8
94.99836	2.6
97.02895	5.1
98.97598	34.0
100.99139	12.7
101.00890	18.4
108.08118	3.1
109.02874	1.6
109.08440	2.9
110.97573	20.1
112.95509	6.8
112.99109	3.3
113.00887	8.0
114.75255	1.5
115.00680	5.8
115.02406	4.9
116.98624	10.6
119.00195	4.0
119.01909	16.0
124.90230	1.8
125.87524	1.6
126.97066	5.4
127.02435	2.9
127.03924	3.5
128.98616	14.8
129.00311	1.5
129.03973	1.8
130.06537	5.6
130.08615	2.4
130.96524	4.6
130.99162	1.7
131.00159	2.4
131.01895	14.8
131.05594	7.9
133.01721	8.3
133.03484	2.3
137.00842	2.9
140.98773	1.8
143.00122	6.8
143.01904	42.5
144.98094	74.1
145.01720	2.2
145.03426	7.5
146.99657	6.9
147.03218	2.7
149.06546	5.4
153.01863	19.1
153.02951	2.1
153.07333	2.3
155.01872	21.8
155.05598	3.6
156.03406	4.0
157.03441	2.2
157.07607	2.0
158.99693	8.0
159.05049	4.8
161.01260	4.5
161.02965	34.8
161.04491	2.1
161.04884	2.4
162.99161	31.9
168.03326	3.8
170.99693	2.5
173.01657	1.8
173.02966	10.3
173.04485	2.3
173.05090	2.8
173.06590	17.9
174.04366	3.9
175.04411	2.1
177.00650	3.9
177.05963	3.9
181.00200	5.1
182.99641	1.7
185.02930	4.7
185.06596	29.4
186.04382	6.2
186.99136	17.0
187.08174	6.1
190.98677	2.9
191.07631	3.9
197.06552	2.3
201.00650	2.5
203.04068	9.9
203.05951	1.8
203.07620	10.0
204.05492	2.7
205.00226	88.1
215.07645	8.3
219.01804	10.7
221.05115	17.7
223.01262	80.4
224.01556	2.1
227.07654	4.0
228.01642	2.5
231.01611	2.1
233.08759	2.1
237.02823	6.9
241.02354	4.1
245.05241	4.1
247.01265	40.4
254.24303	1.9
257.08783	4.3
259.01205	9.4
265.02277	12.9
275.00711	4.8
275.09753	38.7
279.10278	3.1
293.01840	2.0
293.10822	54.7
297.11203	4.4
303.01202	3.8
307.07071	2.0
309.08722	2.4
317.01840	4.4
335.03040	17.2
335.11963	27.4
353.07446	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43898	1.6
55.01873	5.2
55.05514	10.0
56.96561	1.9
57.03433	6.7
57.07071	5.6
67.05187	2.6
67.05511	33.5
69.03403	1.7
69.07072	9.4
71.08641	11.9
72.04521	85.5
79.05505	21.2
81.07061	35.6
83.08637	2.3
85.06548	3.2
88.07656	2.6
91.05509	13.1
93.07055	26.0
95.04976	20.7
95.08611	31.4
97.06545	5.2
98.02449	1.8
98.21503	6.3
98.98473	2.7
99.08089	6.0
100.07610	2.6
104.75607	1.9
105.07031	16.5
107.08604	18.0
109.06526	24.1
109.10141	10.6
111.08081	2.3
114.09182	17.5
115.89057	1.8
117.07025	2.8
119.08583	12.2
121.06499	3.9
121.10140	8.1
123.11707	2.1
128.10709	6.9
131.08582	7.8
133.10138	10.3
135.08075	5.1
135.11674	4.3
137.09692	2.1
140.10693	1.9
142.12260	5.4
145.10121	2.2
147.11708	4.3
149.09666	3.0
149.13228	5.1
151.14833	1.8
156.13821	3.0
159.11716	2.0
163.14816	3.7
165.12769	100.0
166.12123	2.2
173.13295	8.6
175.11192	6.0
179.14331	1.9
180.13834	4.4
182.15393	17.6
184.13396	2.4
191.14317	9.9
201.12790	6.1
212.16469	13.8
220.16963	10.5
229.19545	3.5
236.20114	38.8
271.20587	7.9
289.21664	11.2
316.26266	5.2
334.27441	43.5
335.25766	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	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91529	0.9
51.26398	0.9
53.03945	1.8
55.01876	1.2
55.05509	6.2
57.03442	3.1
59.84324	0.9
61.02923	2.8
65.77181	0.8
69.03428	6.8
70.06599	1.4
71.04985	4.0
71.17727	1.1
71.18047	1.5
73.02900	1.3
79.05486	2.5
81.03426	3.9
81.07058	15.3
83.08604	5.0
84.08145	1.7
85.02907	16.7
85.06548	2.8
87.04425	0.9
90.91541	0.9
91.05457	1.1
91.58343	0.9
93.07057	1.7
97.02880	5.3
98.06033	1.1
98.09697	3.0
98.97624	1.4
99.04424	1.3
99.08081	1.9
103.79814	0.9
108.08119	3.9
109.02862	1.4
109.06525	16.3
110.06072	1.3
116.76958	0.8
126.05539	1.1
126.09163	44.7
127.03924	3.4
127.07571	17.6
130.93460	0.9
136.07549	1.9
137.05969	4.0
145.04927	2.0
154.08636	55.8
155.07039	33.0
172.09695	100.0
173.10039	1.7
280.64774	1.0
293.09189	1.2
298.86591	0.9
334.08957	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	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.9
54.38931	0.7
55.01878	1.0
57.03430	2.4
61.02936	3.7
64.66553	0.8
69.03439	6.2
69.62779	1.3
69.63188	2.9
69.69034	0.8
73.02923	1.0
81.03411	2.7
85.02913	28.5
86.36800	0.9
87.04464	1.0
91.03954	1.8
91.05490	13.3
97.02890	7.6
98.20860	1.7
99.04451	1.0
109.02863	1.8
109.06512	1.3
113.42319	0.8
119.04958	7.7
127.03960	5.3
137.05988	100.0
137.77417	0.8
138.06334	1.0
145.04950	7.1
151.07565	1.1
151.69220	0.9
155.07043	7.1
172.09625	1.3
175.08905	1.0
179.07097	2.6
180.08664	3.2
263.09073	1.2
317.11502	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03939	6.0
53.68456	3.1
55.05515	6.5
57.03423	10.5
57.07080	21.9
59.05012	17.6
61.02936	18.0
67.05502	18.0
69.03432	43.6
69.07071	16.6
69.91741	11.4
69.92150	6.6
71.04998	7.1
79.05499	4.1
81.03425	15.5
81.07043	11.2
83.05007	5.8
83.08624	8.1
85.02906	99.0
85.06559	17.2
86.09701	9.0
91.03944	8.3
91.05468	7.5
93.07039	10.0
95.04963	6.0
95.08619	89.9
96.39449	3.3
97.02899	33.4
97.06518	11.1
98.98472	18.8
99.04442	9.4
99.08099	12.7
105.07031	5.5
107.08591	14.8
109.02888	9.9
109.06519	13.9
109.10157	25.7
111.08080	11.4
113.09650	83.7
119.08578	6.7
123.11697	6.4
125.05990	6.1
127.03939	26.8
127.11211	57.6
135.11662	25.0
135.65314	3.2
137.13293	8.2
143.08667	3.8
145.04982	30.2
145.10127	4.9
147.11642	5.5
149.09608	4.5
153.12753	100.0
155.14386	16.6
159.08148	3.2
166.08687	17.2
171.13805	56.3
176.98999	6.0
177.12761	4.5
177.98178	3.1
189.12814	4.4
191.58728	4.0
191.76442	3.3
198.03838	3.5
251.09004	4.1
315.09802	4.1
333.17038	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	333.1909
Annotation	Rosiridin
Peak:m/z	Relative Intensity
53.03938	6.5
55.05493	3.3
67.05489	5.0
69.03429	11.2
69.07067	8.7
69.45142	2.8
70.09837	5.7
70.10188	10.9
73.84016	3.4
78.62853	3.1
79.05489	35.6
79.05911	3.8
79.63893	2.9
81.07059	7.6
83.04987	4.1
83.08625	4.2
85.02901	26.9
91.05489	13.6
93.07056	58.4
93.90885	2.8
95.04980	7.6
95.08635	3.8
97.02897	7.7
97.06557	3.2
98.35426	3.2
98.98474	23.4
105.04505	4.4
105.07060	8.7
107.08604	32.1
109.02901	10.9
109.06483	3.7
113.14662	3.1
119.08600	8.5
121.06499	3.6
127.03956	6.6
131.08597	5.1
133.10094	4.0
135.11699	100.0
143.08560	3.3
145.04973	8.2
147.11639	3.2
153.01906	3.8
153.12779	8.3
159.11754	5.2
159.43039	3.0
171.11673	3.7
172.08820	4.1
173.09593	4.6
173.13307	3.5
186.10422	4.8
187.11205	7.7
201.12784	5.8
211.11253	3.7
229.12286	10.8
333.14069	5.2
334.16565	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	332.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
57.03429	2.1
61.02930	2.6
61.38281	0.5
65.03959	0.8
66.29797	0.5
67.05505	3.0
69.03433	7.7
69.39178	0.6
71.04984	0.8
73.02927	2.8
79.05495	1.4
81.03412	2.1
81.05794	0.6
81.07056	0.7
85.02911	9.1
85.93393	0.6
86.61817	0.6
87.04476	1.0
91.03972	0.5
92.04989	0.6
93.05824	0.7
96.08158	1.0
97.02898	4.3
98.21535	1.1
98.97583	0.7
99.04449	1.1
106.06553	4.6
108.08124	100.0
109.02902	1.1
123.06809	4.3
124.07597	17.4
127.03937	2.5
129.81709	0.5
134.06023	11.2
135.69389	0.5
136.07594	14.0
137.08421	0.8
139.21141	0.6
149.90886	0.5
150.05479	0.8
152.07074	68.5
153.07425	0.8
154.08618	1.7
155.02066	0.6
161.05635	3.7
161.55647	0.8
170.08136	7.5
177.06039	0.6
198.60522	0.5
198.63953	0.6
209.74966	0.5
219.07162	1.4
231.07315	0.6
251.08620	0.8
271.11578	0.5
314.12347	38.1
315.12637	0.6
321.10239	2.4
322.10443	0.6
332.13416	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49588	1.6
55.05505	8.6
57.03435	4.8
57.07080	68.0
67.05239	1.5
67.05515	18.1
69.07074	10.8
70.06590	3.4
71.04997	1.7
71.08638	45.5
72.91250	1.8
75.04457	3.3
79.05482	3.4
81.07050	24.7
83.08622	19.9
83.64372	1.7
85.10184	25.3
87.73957	1.9
88.07616	4.8
91.05483	4.5
95.08609	38.9
97.10181	7.6
98.98470	100.0
99.11734	2.3
100.98891	1.8
105.07030	3.6
106.08662	3.9
109.10162	16.2
111.11770	3.4
119.08591	2.7
123.11708	6.0
131.08517	2.2
133.10179	2.2
137.13237	2.5
159.11717	2.2
165.16382	1.9
174.99269	3.6
176.92157	1.7
176.98923	8.3
192.82831	1.7
238.73927	1.6
239.23717	12.1
245.60875	1.7
257.24765	4.1
285.58417	1.7
301.96960	1.9
313.27386	33.7
313.32959	2.1
331.22852	3.0
331.34018	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03951	1.2
57.03436	2.1
61.02926	2.1
65.03938	1.2
67.05515	2.9
69.03434	6.0
70.74557	1.6
73.02914	1.9
79.05499	2.0
81.03423	1.5
81.07076	0.7
81.74560	0.6
85.02911	7.0
87.04466	2.0
91.05486	0.8
93.05781	1.3
96.08199	0.8
97.02888	3.1
99.04454	1.0
100.05334	0.7
106.06541	4.2
108.08124	100.0
109.02895	1.4
109.08474	0.9
123.06816	5.1
124.07603	18.0
127.03916	1.5
134.06027	11.4
136.07588	14.7
152.07076	67.2
154.08641	2.1
157.31181	0.6
170.08105	5.6
214.54591	0.6
223.40811	0.6
251.07805	0.7
296.11163	0.7
313.03580	0.6
314.12335	38.0
332.13425	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	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.6
55.05528	8.1
57.03426	3.7
57.07082	42.9
63.76670	2.0
67.05508	13.1
69.07076	7.9
70.06571	7.0
71.06905	2.7
71.08640	29.9
75.04465	2.0
78.30148	1.2
79.05466	1.6
81.07058	18.8
83.08630	12.9
85.10186	15.9
88.07633	9.6
89.07931	1.9
91.05496	3.3
93.07059	1.9
95.08613	23.6
97.10156	5.9
98.98475	100.0
100.98893	2.2
102.09172	2.2
105.07011	5.7
106.08657	5.1
109.10168	13.2
111.11745	3.0
116.99510	1.6
117.07010	4.6
119.08612	3.9
123.04412	1.8
123.11714	6.7
131.08553	4.5
133.10178	2.7
137.13280	2.0
145.10133	6.5
147.11659	1.8
157.10152	2.3
159.11708	2.6
174.99292	3.4
176.98944	6.8
239.23737	9.5
239.25766	1.8
257.19016	1.4
257.24759	2.6
313.27362	29.8
313.32870	4.4
331.15805	2.1
331.22717	6.8
331.34018	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	1-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
53.03923	2.5
55.05511	12.7
57.03435	7.2
57.07079	100.0
61.25707	1.9
67.05505	27.0
69.07075	17.0
70.06590	3.7
71.08635	82.9
75.04493	2.3
81.07061	37.4
83.08624	26.3
85.06528	1.9
85.10188	42.3
88.07639	4.1
89.07964	2.2
95.08614	55.2
97.10183	12.8
98.20802	4.7
98.98474	29.6
103.07593	2.4
105.30953	1.8
106.08665	2.6
109.10170	27.9
111.11721	3.6
123.11715	15.8
136.64479	2.1
137.13290	3.6
151.14862	2.1
157.31126	1.8
165.16396	2.1
174.45508	1.9
176.35355	1.9
176.98921	2.8
189.15166	1.8
211.97694	1.9
221.22624	4.0
231.83519	2.0
239.23732	15.9
257.24783	7.5
313.27377	53.9
313.32819	2.2
331.33994	36.4
340.00076	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01878	1.4
55.05533	0.8
59.84901	0.8
67.05486	2.1
69.03421	3.0
69.07071	1.9
70.06590	5.3
71.02618	1.4
71.05006	1.4
71.54601	0.9
79.05490	3.7
81.03414	1.2
81.07054	2.6
83.04964	1.5
83.08634	2.0
85.02879	2.0
85.06548	1.7
86.09710	4.4
91.05487	16.1
93.07033	1.6
94.04186	1.0
95.04980	2.9
95.08630	1.9
97.02876	1.3
98.98473	100.0
99.04469	1.1
99.08119	1.1
100.98899	2.5
103.05470	3.5
105.07057	4.9
107.04958	9.2
107.08619	2.0
109.06516	2.1
109.10149	1.7
111.08086	2.3
114.05517	3.4
115.05462	1.0
116.07092	1.3
116.99499	2.1
117.07005	1.7
119.04935	8.3
119.08650	0.9
121.06517	5.8
122.02802	1.5
122.03657	3.2
123.11703	1.7
125.05948	0.8
127.03920	1.0
128.06247	1.6
129.06999	9.7
131.04933	2.5
131.08556	1.7
133.02872	1.5
133.06444	1.6
133.10120	1.6
135.04407	1.5
135.08044	4.0
136.05209	2.6
137.05989	34.5
142.63383	0.9
143.05016	1.5
145.06519	1.4
146.07248	1.9
147.04413	0.9
147.08047	0.9
148.05203	0.9
149.06017	7.9
150.06841	1.3
151.03941	1.9
151.07553	40.6
151.11122	2.0
152.06198	1.9
153.01840	3.8
155.06079	0.8
157.06535	5.3
161.04645	1.3
161.05989	24.6
161.07280	1.8
161.09583	6.3
163.07547	14.1
165.07005	5.8
165.09113	2.4
166.07846	1.4
167.08557	6.2
169.06590	2.0
169.08423	1.6
169.12251	10.0
173.05989	1.0
174.06784	2.6
174.99228	3.8
175.07611	1.7
176.98918	6.5
178.07747	2.8
178.24379	0.8
179.03386	2.1
179.08673	1.0
181.06548	2.6
181.08562	1.7
182.07248	2.5
183.08043	1.1
185.04332	1.3
189.09111	20.6
193.06479	3.5
193.10144	3.0
194.07298	1.4
195.08061	11.6
197.05978	2.2
203.08664	1.1
206.07430	1.0
207.08212	1.2
207.10165	8.7
209.05907	1.3
209.09669	1.6
210.06699	4.5
211.07520	2.8
212.08321	2.0
213.09204	1.2
221.06099	4.3
221.09665	3.9
223.07550	5.4
224.08354	2.6
225.09015	4.4
227.07088	2.0
227.10677	10.5
237.09190	1.0
238.06248	2.2
239.07147	1.9
240.07703	1.2
241.08725	0.9
241.12543	0.9
249.09151	2.5
252.99895	1.1
253.08578	6.1
253.12209	6.3
255.10213	12.2
267.09964	2.2
269.08005	2.2
271.09805	1.0
272.10403	1.1
281.11874	2.5
284.10379	1.2
285.11148	8.3
287.09799	0.7
287.12787	16.6
299.09219	1.3
313.07376	1.2
313.14523	5.6
316.09018	1.2
331.13431	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	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.5
60.47655	1.4
66.78333	1.1
67.05505	3.2
70.55913	2.6
70.56252	2.7
79.05489	3.7
79.49501	1.4
81.07063	4.9
83.05009	1.6
84.58345	1.3
91.05487	31.8
91.20793	1.2
93.07088	1.8
94.04214	5.6
95.04993	8.6
95.08612	1.7
98.98474	83.3
100.98883	1.7
103.05487	4.4
105.07034	5.5
107.04994	7.1
109.06515	6.7
111.04446	2.4
111.32686	1.7
115.03883	1.3
115.05466	2.5
117.06990	2.9
119.04967	18.7
119.08592	2.4
121.06504	7.3
122.03642	10.7
123.04433	2.2
128.06248	5.6
129.07014	20.8
131.04970	7.3
131.08582	2.8
133.06520	3.7
135.08110	6.4
136.05199	4.6
137.05989	90.9
145.06465	3.4
146.03648	1.8
147.04419	2.2
147.08092	2.3
148.05212	3.6
149.06013	15.5
151.03925	3.8
151.07547	100.0
152.06239	4.8
153.01851	12.8
153.07074	2.5
154.07777	1.7
155.06055	4.7
157.06480	13.6
161.05995	23.3
161.07289	2.3
161.09637	6.1
163.03969	1.7
163.07536	23.3
163.08807	2.0
165.07001	16.0
165.09146	5.7
166.07758	2.9
167.08562	20.3
169.06450	2.8
169.07686	3.2
169.10028	1.6
174.06784	7.6
174.99252	4.6
175.07573	6.3
176.98918	6.3
177.09215	3.2
178.07806	9.5
179.06026	3.5
181.06447	9.5
181.10138	2.3
182.07304	4.2
183.05576	4.6
183.08035	1.9
185.07265	1.7
189.09120	35.3
191.08586	1.4
192.09390	2.7
193.06314	7.1
193.10158	8.6
194.07257	2.2
195.05629	6.5
195.08061	31.1
196.08707	1.5
197.05992	5.4
197.09647	2.2
202.07765	2.7
203.08527	2.1
205.06583	1.9
206.07332	1.5
207.08279	3.0
207.10193	6.8
209.05853	4.3
209.09653	3.7
209.14954	1.4
210.06758	10.1
211.07578	5.7
212.08371	4.5
213.06613	4.1
213.08986	2.2
219.08049	1.3
220.08910	2.4
221.05917	10.7
221.09584	13.7
223.07556	14.7
224.08362	6.0
225.06905	2.0
225.09074	11.0
227.07045	3.5
227.10683	35.2
229.06111	3.2
229.08586	1.6
234.06741	2.4
237.05421	1.7
237.09097	3.6
238.06213	8.0
238.09961	3.3
239.07007	3.3
240.07855	3.2
241.12305	1.4
249.06876	2.2
249.08961	7.6
251.07086	1.9
252.07991	3.1
253.06082	1.2
253.08578	18.5
253.12274	18.6
255.06409	2.7
255.10173	35.8
266.09567	2.0
267.07736	1.8
267.10281	6.2
269.08087	5.6
269.11740	3.0
271.07132	8.0
271.09879	2.3
272.10486	4.1
281.11765	5.8
285.08624	8.2
285.11282	23.8
287.12784	50.5
295.07031	4.9
299.13101	2.6
313.08231	24.2
313.14279	14.5
316.08984	4.6
331.08456	10.2
331.12048	5.4
331.15454	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	331.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.6
55.01872	12.4
55.05515	51.4
57.03438	19.9
57.43423	1.9
61.02913	3.4
65.03947	2.1
66.79056	2.1
67.05511	24.7
68.99815	10.6
69.03432	62.3
69.07078	13.2
71.01352	4.1
71.05000	31.4
71.50711	3.7
73.02913	3.7
79.05505	23.3
81.03422	48.9
81.07061	31.4
82.04196	3.4
83.04976	21.6
83.08622	26.0
85.02911	37.5
85.06538	2.4
87.00839	22.3
91.05486	26.5
93.07043	27.7
95.04970	15.6
95.08606	28.8
97.02895	35.2
97.06539	11.2
98.98474	100.0
99.04462	14.9
99.08096	9.6
103.05455	3.6
105.01917	3.0
105.04539	2.7
105.07043	14.3
107.04948	7.0
107.07978	2.0
107.08600	13.6
109.02883	23.9
109.06513	13.8
109.10144	5.6
111.04430	8.0
111.08090	51.2
113.09663	22.3
115.03932	12.0
115.05476	2.7
117.07026	6.9
119.04972	4.4
119.08567	11.9
121.06537	9.9
121.07308	2.0
121.10136	6.3
123.04422	4.3
123.08073	16.5
125.02376	2.4
125.05984	2.5
125.09627	4.5
127.03925	43.9
127.07596	4.2
128.06244	2.6
129.01836	8.8
129.06995	5.1
129.09148	2.9
131.08546	5.0
133.06485	4.1
133.10149	3.4
135.08049	25.6
135.11690	3.2
137.05971	20.6
137.09605	7.4
139.07549	27.9
139.11160	5.5
141.09106	33.9
145.06494	2.7
145.10046	4.8
147.08055	4.8
149.05984	6.5
149.09608	7.1
151.07544	38.7
153.01810	8.6
153.09070	11.0
155.06029	5.5
155.08511	2.5
155.10663	4.9
157.06508	2.3
161.06033	2.3
161.09596	7.3
163.07576	4.5
163.11172	5.9
165.06935	3.5
165.09108	8.3
165.27016	2.0
167.06007	2.8
167.08565	5.1
167.10670	5.4
169.07509	4.3
173.09628	4.2
174.06761	2.3
174.99284	3.6
176.98929	7.4
179.06111	3.6
179.10709	8.4
181.12299	4.1
183.05553	5.0
183.07945	2.4
185.11656	2.3
189.09113	6.2
191.10678	16.9
193.07686	4.8
195.05551	13.2
195.08099	3.9
197.07260	4.0
207.10065	3.6
209.11719	45.8
213.06673	3.6
214.06294	2.2
221.09666	2.3
223.07634	2.8
225.06619	7.5
227.10637	6.2
227.12816	6.4
229.06136	5.2
231.05063	4.3
239.08228	4.6
249.06505	4.3
253.06133	2.6
253.08559	3.7
253.12315	3.1
255.10251	4.5
267.07602	3.8
269.14069	3.1
270.05142	2.1
271.07196	17.9
285.08688	21.7
285.11359	3.6
287.12845	7.4
295.07147	11.3
295.11749	30.1
313.08200	47.1
313.11908	2.4
331.08560	21.1
331.11948	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	331.0814
Annotation	3,8-Dimethylherbacetin
Peak:m/z	Relative Intensity
54.76163	0.2
55.01850	0.3
55.05513	0.3
56.15220	0.2
63.82375	0.2
65.03930	0.6
65.36246	0.2
67.05502	0.5
68.19904	0.2
68.99804	0.3
69.07054	0.4
69.34489	0.7
69.34910	0.9
71.04989	0.2
79.05492	0.3
81.03426	0.3
81.07056	0.8
83.54013	0.2
91.05487	0.4
92.02637	1.9
92.31087	0.2
93.03409	1.6
93.07043	0.2
95.04941	0.4
95.08575	0.3
98.98472	21.4
100.98878	0.5
105.07040	0.3
107.04997	0.2
107.08622	0.3
109.02892	0.2
109.10153	0.4
111.04409	0.3
115.05428	0.2
116.99490	0.3
119.08550	0.3
120.02096	0.2
121.02857	1.7
123.04438	0.7
123.11684	0.7
125.02349	0.3
126.14606	0.2
127.00401	0.2
129.33296	0.2
135.04411	0.3
137.02307	0.2
137.05984	1.0
138.03107	0.3
140.04686	2.4
143.08513	0.2
151.03897	2.0
151.04993	0.3
151.07477	0.2
151.11194	0.3
153.05501	0.4
155.04912	0.5
161.05971	0.3
163.03912	0.4
165.06992	0.2
166.02536	0.3
167.03412	21.2
168.03857	0.2
170.38762	0.2
174.99231	0.9
176.98947	2.1
177.05458	0.3
179.03418	0.8
180.04141	0.5
181.06601	0.3
183.04526	0.2
184.05391	0.3
185.05998	0.4
187.07576	0.4
193.04982	0.5
199.03900	0.4
200.04663	0.4
203.07043	0.3
207.02771	0.3
213.05440	0.5
214.06239	0.4
215.07040	1.4
217.04976	2.2
225.05385	0.2
227.03403	0.9
228.04237	0.3
231.06532	4.0
232.07365	1.5
233.04503	0.7
241.05043	0.2
242.05704	2.8
243.06552	4.8
245.04477	1.9
252.99644	0.3
256.03638	0.4
257.04416	0.3
257.08124	0.3
259.06046	4.6
260.06769	2.8
270.05313	0.5
271.05981	2.8
273.03940	0.8
274.04517	0.4
275.09189	0.4
284.02841	0.3
285.07724	0.4
287.05527	3.8
288.03027	0.3
288.06311	6.1
288.09717	0.4
298.04831	0.7
299.05521	3.9
299.08859	0.2
301.03378	0.5
302.07980	0.3
313.18182	0.3
313.21625	0.3
315.05042	0.5
316.05783	23.3
317.06168	0.5
331.08133	100.0
331.11346	4.1
332.08511	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23927	1.5
55.05504	5.7
57.07079	4.7
67.05512	12.7
69.07069	7.1
70.06593	3.5
71.08639	2.9
71.51453	1.4
76.95642	1.2
79.05493	5.8
79.42560	1.5
81.07069	12.8
83.04977	3.5
83.08616	3.5
85.10189	3.2
87.04484	1.9
87.95404	1.2
88.07610	2.7
91.05491	6.9
93.07059	10.6
95.08624	14.3
97.06514	2.4
97.10179	2.7
98.98476	100.0
99.08093	3.0
100.98895	2.0
104.19507	1.4
105.07030	5.9
106.08649	1.3
107.08607	5.7
109.06522	2.4
109.10197	3.1
113.09680	6.7
119.08586	3.8
121.10154	9.3
121.16513	1.2
125.09652	1.7
125.34634	1.2
129.06998	1.9
129.53328	1.6
131.08603	2.9
133.10165	3.0
135.11708	1.6
139.11172	3.5
141.12766	1.5
141.13889	1.2
147.11696	4.6
149.09682	2.0
151.11232	2.3
154.26355	1.3
163.11224	2.3
165.12866	1.8
167.10690	1.9
174.99220	4.6
175.11203	1.6
175.99600	1.8
176.98959	5.7
183.13837	1.6
193.12189	1.9
208.05479	1.3
221.69917	1.3
241.80104	1.4
259.20490	1.7
277.21591	7.2
284.29459	1.8
284.35269	1.3
295.22693	5.0
330.29996	6.3
330.33725	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.155
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54750	0.2
61.02929	0.4
69.03445	1.1
70.63290	0.6
79.05497	0.6
80.05013	0.3
81.03418	0.4
81.05793	0.3
81.07043	0.4
85.02906	1.9
87.04482	0.2
91.05479	0.4
92.06282	0.3
94.06580	1.0
95.08614	0.3
97.02884	0.5
98.98476	4.0
100.90312	0.2
105.07040	1.9
106.06559	0.7
107.07334	4.8
109.02900	0.3
111.16481	0.2
112.61235	0.2
117.05749	0.5
120.08096	0.4
121.08907	0.6
122.09677	9.9
127.03932	0.4
132.08119	0.3
135.06801	1.9
138.09142	0.3
140.23593	0.2
150.09152	100.0
151.09468	1.1
168.10214	5.6
187.71222	0.2
232.20268	0.2
273.43539	0.2
302.16068	0.2
315.08716	0.3
330.10968	0.2
330.15366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.8
58.51102	1.5
64.88217	1.7
67.05496	9.9
69.07078	4.2
70.76260	1.9
70.76609	3.9
79.05495	5.4
81.07058	11.9
83.25954	1.5
91.05473	6.1
93.07047	6.0
95.08605	4.4
97.06562	2.3
98.09706	5.1
98.98471	100.0
101.68295	1.6
105.07049	3.1
107.08619	2.7
119.08608	3.6
119.43941	1.9
121.10143	2.0
122.44632	1.6
131.08586	2.0
133.10162	4.0
135.11662	4.6
174.99231	9.3
176.98943	2.6
181.12241	2.2
195.20708	1.6
216.44701	1.7
275.20197	4.4
293.21027	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05065	1.1
53.28205	1.2
54.18792	0.9
55.05510	2.7
55.85616	0.9
56.05024	1.0
61.02944	1.1
67.05507	5.6
69.07074	5.0
69.70406	6.0
79.05496	3.5
81.07070	7.9
83.08614	2.3
91.05476	3.3
93.07025	3.0
95.04979	1.4
95.08612	2.9
98.09695	3.8
98.21524	1.4
98.98476	100.0
105.07032	2.5
107.08620	2.6
119.08561	2.0
121.10110	2.1
123.11737	1.1
131.08557	1.4
133.10107	2.1
135.11679	2.4
159.11812	1.2
174.99225	8.6
176.98988	1.5
181.12248	2.7
190.44995	1.2
195.13835	1.3
252.99380	1.1
275.19983	2.3
295.78793	1.2
328.18964	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	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.1
53.01944	1.1
53.03920	1.3
55.01872	2.5
55.05270	1.7
55.05514	24.4
58.48485	1.1
60.50801	1.2
67.05508	7.8
68.95724	1.2
69.03410	2.7
69.07063	7.3
70.02126	5.0
72.20286	1.2
75.12009	1.2
79.05506	12.5
81.07077	7.6
83.04954	1.8
83.08613	19.8
91.05476	4.4
93.07029	4.1
95.08587	3.7
97.06551	1.8
97.09563	1.9
97.10171	31.5
98.20786	1.9
98.21346	2.4
98.98470	100.0
101.09620	1.2
105.06384	1.2
105.07017	5.3
107.04920	1.5
107.08601	37.1
109.10175	2.3
111.07997	1.2
117.06963	1.6
117.14436	1.4
119.08582	3.0
121.02374	1.3
125.09630	29.4
131.08536	2.1
133.10127	4.2
135.08054	2.3
145.10129	4.0
147.11653	2.7
149.09596	2.6
154.47678	1.2
171.10190	6.9
174.99243	7.8
175.99506	1.6
176.98965	2.8
181.12225	1.7
189.11226	44.0
193.30443	1.1
239.17882	1.8
250.90828	1.2
257.18997	4.4
275.20099	27.4
293.21033	1.6
343.78195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.8
58.51102	1.5
64.88217	1.7
67.05496	9.9
69.07078	4.2
70.76260	1.9
70.76609	3.9
79.05495	5.4
81.07058	11.9
83.25954	1.5
91.05473	6.1
93.07047	6.0
95.08605	4.4
97.06562	2.3
98.09706	5.1
98.98471	100.0
101.68295	1.6
105.07049	3.1
107.08619	2.7
119.08608	3.6
119.43941	1.9
121.10143	2.0
122.44632	1.6
131.08586	2.0
133.10162	4.0
135.11662	4.6
174.99231	9.3
176.98943	2.6
181.12241	2.2
195.20708	1.6
216.44701	1.7
275.20197	4.4
293.21027	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	328.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
53.30340	0.3
53.96439	0.3
59.38587	0.4
60.34647	0.4
61.02927	0.5
62.99314	0.3
69.03420	1.6
69.23453	2.8
79.05499	3.2
80.05006	1.2
81.03404	0.7
81.06998	0.4
85.02904	1.8
91.05482	3.0
93.07056	4.2
95.04948	0.7
97.02896	0.8
98.21488	0.6
98.98473	23.1
100.11250	0.5
103.05479	6.0
105.05774	1.4
109.02850	0.5
109.10277	0.5
118.06544	1.4
119.03488	0.4
119.07337	1.5
120.08112	19.0
127.03913	0.4
130.06548	2.0
133.05251	0.4
134.22821	0.4
139.35222	0.4
142.12292	0.5
148.07584	100.0
149.07935	1.1
153.64455	0.3
166.08644	7.9
174.99182	1.8
328.14224	0.4
328.28738	0.6
329.15833	0.4
330.20557	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.9
54.04986	0.6
55.01891	1.1
56.05061	0.5
57.03443	2.0
57.31240	0.6
61.02948	4.5
67.05518	0.7
69.03441	10.6
70.06630	0.9
70.79021	1.3
70.79362	1.3
71.04991	1.6
73.02924	1.5
75.26353	0.6
79.05519	1.0
81.03429	4.3
81.07053	1.0
85.02913	26.8
86.09708	1.4
87.04501	1.7
91.03989	1.6
91.05487	1.2
93.07059	1.5
95.04943	0.9
97.02899	8.4
98.98476	58.9
99.04482	2.1
103.05500	0.9
103.22039	0.7
103.78989	0.6
104.05013	1.1
105.07066	0.9
107.04953	1.1
107.08667	0.7
109.02888	4.1
115.96391	0.6
116.99551	1.0
120.08112	2.3
121.10127	0.8
124.03963	0.7
127.03932	5.6
138.05455	0.8
145.04996	5.1
148.02174	88.1
148.07573	5.4
150.09143	1.3
166.03241	100.0
166.08684	1.3
166.12282	2.1
174.99240	4.4
175.99673	0.7
176.98936	1.7
189.04829	0.8
201.12189	0.7
201.94041	0.7
202.10590	0.7
295.96228	0.7
328.08517	1.6
328.15451	0.9
328.21042	1.0
329.06580	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	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	7.3
55.01865	1.9
55.05502	7.1
57.03442	1.9
65.03928	2.1
67.05505	15.4
69.03432	2.1
69.07082	8.0
69.38174	12.3
74.01292	1.6
77.03920	1.8
79.05499	13.8
81.03401	2.2
81.07064	16.1
82.71951	1.5
83.04971	1.8
83.08613	3.7
85.06524	1.5
91.05481	19.3
93.07047	38.1
95.04971	41.3
95.08614	25.8
97.06531	7.5
98.98473	100.0
103.05441	2.7
105.04498	2.5
105.06393	2.7
105.07041	33.5
107.08595	18.0
109.06505	5.0
109.10164	10.9
115.05418	2.6
117.07021	10.3
119.08597	27.2
121.06503	9.1
121.10140	14.5
123.08054	5.6
123.11703	3.7
128.06166	2.1
129.06990	3.9
130.07758	4.1
131.08585	13.7
133.10146	24.9
135.08044	5.9
135.11681	5.7
136.42690	1.8
137.09554	3.9
141.06917	2.6
142.07785	7.1
143.08553	7.1
144.09340	3.0
145.10130	17.9
147.11667	7.3
152.06206	12.7
153.07047	9.7
155.08562	4.2
156.09343	3.6
157.10149	20.3
159.08073	2.1
159.11697	20.5
161.09621	7.8
161.13237	3.3
167.08623	1.9
168.05702	4.7
169.10173	8.1
171.08029	2.0
171.11717	8.6
172.12518	1.8
173.09669	2.5
173.13214	6.8
174.99260	7.8
175.11174	3.0
175.14824	9.2
179.08551	2.3
181.10130	2.1
182.10934	2.5
183.11702	5.4
184.12488	2.3
185.09612	2.3
185.13310	3.3
187.11180	4.5
187.14803	7.0
192.09233	1.9
194.10924	1.9
195.11711	3.0
197.13220	4.9
199.14854	4.4
201.16335	2.9
207.11737	2.8
209.13191	3.7
211.14851	4.7
213.16362	2.6
215.02527	4.5
215.14304	1.9
223.14789	2.0
225.16423	3.2
228.09381	4.0
229.10011	1.8
233.03670	12.1
233.13205	1.9
235.14622	1.9
251.04697	5.7
254.44678	1.8
309.22229	4.5
327.07803	49.9
327.23111	9.5
328.08127	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	326.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01877	3.2
55.05514	11.9
57.03441	6.5
57.07078	7.0
59.05006	1.0
65.03930	2.7
67.05511	65.2
68.05857	1.3
69.03427	3.4
69.07072	13.3
70.06593	2.7
70.07408	2.5
71.04993	12.2
71.30786	1.6
71.31139	2.1
77.03897	1.2
79.05072	1.8
79.05502	27.4
81.03416	2.9
81.07064	53.8
82.07397	5.9
82.44250	1.1
83.04981	3.5
83.08631	3.6
84.04510	29.8
85.02905	3.7
85.06547	3.8
91.05488	20.8
93.06484	2.2
93.07055	39.7
94.07372	3.4
95.04970	8.5
95.08617	100.0
96.08937	5.5
97.06542	3.2
98.98478	76.6
102.05551	10.7
103.69587	1.2
105.06318	1.2
105.07036	24.5
106.07328	1.5
107.08610	16.6
108.08908	2.0
109.06532	5.5
109.10167	51.9
110.10503	3.3
111.08080	4.5
111.11724	1.4
112.08388	1.8
113.09663	6.2
115.71773	1.2
116.07101	2.4
116.99457	1.4
117.07009	3.2
119.06033	1.1
119.08588	30.2
121.06510	1.1
121.10171	9.6
122.10480	1.3
123.08060	5.7
123.11721	7.0
124.12035	3.3
125.09641	2.2
130.05011	14.3
131.00058	1.3
131.08556	1.6
133.10152	10.6
135.11726	9.5
136.12038	2.4
137.09636	12.5
137.13240	3.4
138.13562	1.6
139.11151	1.1
143.61678	1.3
145.10188	1.4
148.04860	1.7
148.06065	31.9
149.13242	4.1
150.13660	2.0
151.11160	3.5
151.14838	28.6
152.11526	2.4
161.09612	1.9
161.13257	10.9
163.11162	2.1
164.10725	2.0
174.99251	8.4
179.10724	2.1
179.14319	23.2
189.00729	1.3
244.09589	2.0
244.59804	3.8
245.09877	2.1
251.00200	1.8
290.25659	2.0
294.20670	1.4
308.26556	3.8
326.19586	23.2
326.23196	2.2
326.27747	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	326.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.3
57.03420	0.6
59.79782	0.7
63.81816	0.7
68.04971	0.7
71.35686	1.1
77.12762	0.6
79.05463	2.0
80.05015	1.4
81.03411	1.3
81.07037	1.7
82.06567	1.0
84.04502	5.8
85.02917	10.3
91.05473	0.9
93.07056	5.6
94.06567	1.1
95.08593	1.3
96.08160	0.7
96.52896	0.6
98.98476	9.9
102.05534	1.2
107.08588	3.2
108.08126	20.5
109.08984	0.9
109.10141	0.9
110.09663	1.6
114.05532	1.9
119.08572	0.9
122.09676	11.6
123.10434	1.4
130.05031	0.7
131.03386	0.8
133.10124	1.2
134.09605	1.4
135.11667	3.6
136.11191	2.8
137.05972	1.3
148.11327	0.7
150.11649	1.3
150.12801	22.5
151.12581	0.8
151.13602	7.7
152.14359	7.6
174.99197	1.4
177.23969	0.8
192.13745	0.7
208.13399	1.4
210.07561	1.5
221.59645	0.6
228.12424	1.1
236.16458	2.5
252.12436	1.3
280.15454	1.1
282.17032	100.0
283.17453	0.8
284.18701	2.3
302.96481	0.6
308.18600	0.8
326.19653	64.1
327.20297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.05498	1.6
56.05033	0.9
57.03438	0.8
60.31483	0.4
67.05495	1.7
68.05035	1.0
69.03425	1.7
69.07059	1.5
70.03768	0.5
70.55591	1.2
76.87313	0.4
79.05489	2.8
80.05014	2.2
81.03436	1.9
81.07069	2.3
82.03761	0.4
82.06590	0.7
83.04935	0.5
83.08581	0.4
84.04506	6.5
84.08149	0.6
85.02911	10.3
86.03665	0.4
87.04458	0.6
91.05466	1.2
93.07043	6.7
94.06583	1.0
95.07304	0.6
95.08596	1.1
96.08131	0.8
98.02412	0.8
98.06089	0.8
98.98475	15.6
102.05547	1.5
105.07030	1.1
106.06558	0.7
107.08619	3.3
108.08120	24.3
109.08892	1.4
109.10155	0.5
110.09669	1.6
114.05540	1.9
119.08560	1.5
120.08067	0.5
121.10117	0.5
122.09672	11.3
123.10458	2.3
129.16896	0.4
130.04999	0.9
131.03416	0.9
133.10081	0.7
134.06020	0.6
134.09619	0.7
135.11693	6.0
136.07588	0.9
136.11197	3.6
142.05013	1.0
146.06018	0.9
146.07898	0.6
148.11163	0.7
150.12785	26.2
151.13573	8.8
152.14357	8.7
156.06609	0.5
160.06104	0.5
162.09146	0.6
163.11137	0.4
164.07056	2.1
174.07489	0.7
174.99283	1.9
180.06602	0.7
180.10265	0.7
182.11673	0.4
190.15872	0.8
191.08139	2.2
192.08517	4.6
205.12257	1.0
208.13313	2.0
210.07626	1.7
222.11281	0.5
222.14980	0.5
226.10736	0.4
228.12343	1.3
236.16493	1.8
238.10648	0.8
240.12350	0.5
252.12370	1.8
264.15912	0.9
282.17010	100.0
283.17398	1.1
284.18546	2.7
308.13162	2.3
326.19623	67.0
327.20142	0.5
339.50232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
53.84299	1.6
55.01871	3.2
55.05506	6.8
57.03429	4.5
59.04975	1.9
61.02924	10.2
62.08186	1.5
69.03432	15.4
69.25920	10.6
69.26346	3.9
73.02926	2.7
81.03414	7.2
83.08623	20.7
84.04477	1.5
85.02909	96.6
87.04456	1.7
91.03951	4.5
91.05470	2.3
97.02898	24.3
98.98469	100.0
99.04449	4.5
101.09665	14.6
107.05000	1.6
108.08090	2.2
109.02866	8.5
116.99507	1.8
127.03925	26.3
137.05960	2.2
145.04965	43.6
147.10175	4.3
163.06029	8.5
163.07285	1.9
164.06975	2.6
174.99294	8.8
175.07603	1.9
238.05426	2.2
326.12222	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	326.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01883	2.1
57.03427	1.4
59.05006	0.9
61.02938	2.9
66.77748	0.4
67.05491	0.5
69.03093	0.5
69.03442	7.0
69.07065	0.4
70.06585	1.7
71.04986	0.8
71.50196	0.8
72.08153	0.7
73.02911	1.1
81.03416	3.4
84.08142	1.0
85.02914	21.6
86.09688	0.6
87.04457	1.5
91.03973	1.0
91.05494	0.6
95.04974	1.4
97.02908	5.7
98.98476	28.5
99.04452	1.4
103.03945	0.6
105.07050	0.7
109.02908	2.3
117.03432	0.5
118.06511	1.0
119.04956	0.4
120.08077	0.5
122.06042	28.2
127.03932	4.8
132.08133	1.0
135.04433	0.6
136.03926	2.8
136.07533	0.8
145.05002	2.5
146.06027	21.5
147.04411	2.8
162.05563	1.1
163.03925	2.2
164.04308	3.5
164.07085	100.0
165.07416	0.7
174.99190	2.4
188.07082	1.3
190.02602	0.4
220.01833	0.4
263.21921	0.5
280.11697	1.0
326.12262	4.5
326.15796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03938	1.1
53.85244	0.8
55.01859	3.3
55.05509	18.6
57.03421	2.3
57.07078	11.5
59.04988	3.9
59.36152	0.9
67.05505	13.9
69.03422	4.2
69.07070	100.0
69.80820	5.6
71.05000	6.5
71.08617	2.9
73.02885	1.5
73.06548	2.6
79.05493	11.1
81.07057	64.1
83.04987	5.4
83.08620	13.4
85.06545	16.5
91.05473	4.3
93.07050	25.6
95.04971	2.4
95.08612	39.0
97.06536	9.5
97.10158	4.2
97.77415	1.0
99.08102	8.0
101.06011	4.4
105.07029	8.5
107.08597	20.6
109.06525	3.3
109.10159	21.8
111.08084	26.5
111.08871	1.3
111.11722	23.7
113.09599	1.4
119.08597	5.1
121.10143	11.1
123.11718	15.5
125.09641	2.2
125.13220	2.2
127.11179	3.0
129.12770	2.0
131.08498	1.4
133.10118	3.8
135.11693	15.8
137.09608	1.3
137.13258	12.4
139.11183	11.6
145.10152	2.9
147.11639	5.3
149.13245	5.8
151.11176	1.4
153.12759	20.9
155.14287	2.9
157.12234	2.0
159.11665	3.2
161.13292	3.1
163.03867	1.4
163.11214	1.6
163.14801	2.3
165.12778	5.8
169.12247	1.1
171.13620	1.0
173.13179	1.0
179.62897	1.1
181.12173	1.0
201.16414	0.9
209.19011	2.6
215.17917	1.3
263.23804	1.0
271.24316	1.6
289.25369	4.8
295.26312	1.3
306.52029	1.1
307.26312	21.2
325.07129	1.6
325.27277	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	325.2739
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.94309	0.8
52.92479	0.9
52.93321	1.0
53.03949	1.1
55.01857	1.4
55.05513	15.3
57.03421	2.0
57.07081	7.6
59.05005	2.0
65.03941	1.0
67.05508	14.3
69.03416	3.3
69.07071	100.0
71.04984	2.9
71.08616	1.6
71.12083	1.7
73.06540	2.0
79.05492	7.5
81.07058	46.8
83.04974	2.9
83.08618	10.0
85.06544	7.5
91.05477	4.5
93.07038	15.9
95.04866	1.0
95.08610	39.3
97.06535	6.8
97.10162	2.9
99.08063	5.4
101.06015	2.9
105.07027	4.5
107.08600	11.4
109.02894	1.1
109.06498	1.2
109.10152	16.2
109.18195	0.9
111.08080	9.9
111.11723	29.0
112.88614	0.9
113.09692	1.5
119.08588	5.9
121.10143	12.0
123.08062	1.1
123.11700	9.2
125.09656	2.0
125.13271	1.0
127.11181	1.4
129.12796	1.8
133.10092	3.7
135.11719	10.1
137.13275	8.0
139.11177	17.3
145.10135	1.2
147.11700	3.1
149.13255	4.6
151.11198	2.3
151.14771	2.9
153.12756	8.9
155.14281	1.6
157.12251	2.9
159.11681	2.1
161.13246	1.9
163.03899	1.1
163.14851	2.2
165.12769	2.6
173.13254	1.7
179.14407	1.5
186.37862	0.9
189.16360	1.9
189.61208	1.2
191.17963	1.5
241.81586	1.0
244.45393	1.1
263.23798	1.2
267.08679	1.1
271.24451	1.2
272.32388	1.2
289.25226	4.4
295.26425	1.8
307.26349	17.3
325.07166	1.4
325.10690	1.5
325.14487	1.2
325.27380	8.4
348.32745	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.274
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03960	1.0
55.01875	1.4
55.05513	14.5
55.05763	1.3
57.03447	2.6
57.07084	5.1
59.05013	2.3
67.05506	12.6
68.93703	0.8
69.03439	3.4
69.07069	100.0
70.53500	2.0
70.53878	0.9
71.05006	3.0
71.08643	1.2
73.06586	0.7
79.05491	7.8
81.03435	1.0
81.07058	43.5
83.05006	2.9
83.08624	8.7
85.06550	7.0
87.04453	0.8
91.05499	3.6
93.07050	14.9
95.04945	1.4
95.08609	35.6
97.06527	6.5
97.10192	2.9
99.08100	4.8
101.06064	2.4
105.07057	5.1
107.08600	13.5
109.06525	2.0
109.10165	14.0
111.08087	9.5
111.11728	24.8
119.08597	4.1
121.10134	9.9
123.08074	1.2
123.11710	7.5
125.09651	1.2
125.13308	1.4
129.12807	1.3
132.71216	0.8
133.10117	3.6
135.08121	0.8
135.11699	7.7
137.06105	1.5
137.09674	1.0
137.13226	5.6
139.11186	15.8
145.10152	2.0
147.11710	2.4
149.13249	3.7
151.11200	1.8
151.14838	2.5
153.12740	8.7
154.19327	0.7
157.12297	2.4
159.11711	1.7
161.13257	2.4
163.03975	0.9
163.11259	1.2
163.14841	2.5
165.12758	3.4
173.13335	1.2
175.14909	1.0
177.12810	0.9
177.16356	1.0
179.14333	1.2
181.12332	1.2
191.55045	0.8
263.23929	1.3
277.25220	0.9
289.25238	4.5
295.26218	1.4
307.26312	14.1
325.07156	1.6
325.27396	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	325.2741
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03947	3.1
55.01861	4.2
55.05275	1.8
55.05515	25.3
56.96547	1.6
57.03426	4.7
57.07081	16.3
59.04983	4.2
59.88744	1.2
61.02933	1.6
62.12559	1.2
63.97744	1.2
65.03946	2.0
67.05185	1.7
67.05511	27.5
69.03434	6.5
69.07072	61.3
71.05005	7.2
71.08640	8.1
71.51613	2.5
73.06525	1.2
78.67545	1.2
79.05499	21.0
81.03416	2.0
81.07063	100.0
83.04971	5.5
83.08153	1.5
83.08628	20.7
84.04472	1.7
85.02918	1.7
85.06550	9.3
85.67440	1.4
91.05486	14.7
92.57099	1.2
93.07050	63.5
95.04978	7.3
95.08615	71.5
97.06555	10.9
97.10184	11.1
99.04474	2.0
99.08094	3.2
105.07053	16.0
105.07710	2.2
107.08605	32.5
109.06521	7.9
109.09396	1.7
109.10162	40.7
111.08089	45.3
111.11710	8.4
113.06006	1.2
117.06993	1.9
119.08578	8.4
121.06532	1.7
121.09336	2.3
121.10155	31.3
123.08080	5.9
123.11718	37.3
125.09639	6.4
125.13297	1.8
127.11197	1.4
130.05000	4.5
131.00198	2.3
131.08549	2.3
133.10153	14.6
135.11703	15.9
137.05951	1.8
137.09619	3.1
137.13274	9.8
139.11205	15.6
145.10153	5.3
147.07631	1.7
147.11696	8.0
148.06039	1.8
149.09648	2.4
149.13266	11.4
151.11192	21.5
151.14819	4.2
153.12747	6.6
154.79480	1.4
155.56592	1.3
159.11684	4.5
161.13260	4.3
163.03938	2.0
163.11183	2.9
163.14859	3.8
165.12718	3.7
165.16380	1.4
167.10706	3.8
167.14348	4.5
169.12292	2.9
175.14876	3.0
177.05598	1.2
177.12704	2.4
177.16455	4.0
179.14246	2.2
181.12230	5.0
181.15916	1.4
183.43172	1.3
187.14940	2.1
189.16483	1.6
191.17998	3.1
197.18950	2.0
209.19156	6.5
215.17741	1.7
217.19359	1.6
234.27397	1.4
235.20602	2.1
244.09660	13.1
244.59950	1.9
259.24298	2.3
269.10547	2.6
271.24158	4.1
277.25116	2.7
289.25284	8.2
295.26419	1.3
307.26328	21.1
325.07080	2.1
325.11826	2.2
325.21631	1.9
325.27438	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	325.274
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03938	4.8
55.01870	6.2
55.05520	23.3
56.53992	4.6
57.07058	8.2
57.18832	3.6
59.05008	3.9
62.66503	3.4
67.05519	25.3
69.03424	9.0
69.07073	100.0
69.62776	18.9
69.63184	8.5
70.27425	4.0
71.04977	9.3
79.05482	16.1
81.07066	97.0
83.04960	7.0
83.08603	17.9
85.06530	16.4
87.67380	3.7
91.05483	10.3
93.07048	39.8
95.04954	4.3
95.08609	71.3
97.02828	3.9
97.06526	13.2
97.10183	7.7
99.08099	7.5
105.07040	19.8
107.08598	44.8
109.10159	29.4
111.08078	35.6
111.11729	22.9
119.08568	14.9
121.10167	20.6
123.08057	6.2
123.11704	38.3
125.09694	4.6
131.08641	5.7
133.10085	10.6
135.11711	18.6
137.13257	10.2
139.11209	30.2
145.10103	6.5
147.11690	9.2
149.13263	11.1
151.11226	19.5
153.12735	11.7
159.11642	5.3
163.03938	12.6
163.11194	4.3
163.14839	7.3
165.12791	10.6
175.14789	4.9
289.25214	12.3
307.26346	19.4
310.58511	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	325.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.4
56.05028	1.8
56.94295	1.4
57.03429	1.2
67.05505	1.5
68.05048	1.0
69.03422	2.8
69.07063	1.8
69.24281	10.5
70.06573	1.2
70.49102	1.1
71.04987	2.3
72.93772	1.2
79.05486	6.2
80.05016	1.9
81.03426	2.3
81.07063	3.3
82.06622	1.1
84.04504	12.5
84.08131	1.4
85.02454	1.6
85.02918	21.2
86.06084	6.7
90.94812	1.1
91.05486	13.8
93.05756	1.2
93.07043	6.9
94.06559	1.2
95.01341	2.6
95.08602	2.6
96.04481	1.7
96.08137	2.4
97.02899	1.1
98.06062	2.3
99.04455	1.1
102.05563	11.0
105.07035	1.8
107.04948	2.2
107.08597	4.1
108.08122	47.1
110.09679	3.0
111.04518	1.2
112.03964	1.3
119.08569	1.3
121.10152	1.8
122.09672	3.6
123.10422	1.3
124.11168	1.3
129.05502	1.9
130.05014	80.8
131.04863	1.0
133.10083	2.0
134.09688	2.9
135.04419	1.4
135.11697	6.6
136.11171	1.3
137.05989	4.5
144.95840	1.5
145.10101	1.1
147.09167	1.2
150.12801	13.1
151.13541	2.8
152.14349	100.0
154.15909	5.3
158.97340	3.6
163.03989	2.2
167.07042	1.4
174.65704	1.0
178.15923	2.9
191.03391	1.0
191.06633	1.3
191.08185	10.1
192.99556	1.2
193.13347	1.5
196.16983	36.4
198.96945	1.0
216.97768	1.5
234.98999	5.9
235.18053	4.3
236.16591	1.7
241.71875	1.1
247.02373	3.7
250.30942	1.2
264.15948	15.1
281.18628	84.7
283.20248	2.7
307.12634	2.9
307.20007	1.2
308.18613	4.3
325.03491	7.8
325.14212	4.5
325.21237	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1397
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
56.96560	1.1
57.03418	0.5
61.02925	0.4
69.03422	1.2
70.44839	0.9
85.02912	1.6
91.05475	0.6
97.02881	0.7
98.20774	0.3
98.97578	1.1
109.17612	0.3
110.97575	0.3
116.98625	0.3
118.06538	4.2
127.03897	0.4
133.07620	4.7
145.07619	100.0
146.08459	2.1
147.09158	0.7
153.01755	0.5
154.76830	0.3
163.05016	1.0
163.08681	59.7
164.09091	0.4
211.00877	0.4
216.08022	0.3
307.13159	0.3
325.13965	69.1
326.14221	0.9
338.03134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
54.25871	0.5
55.01864	1.7
57.03430	2.3
60.41740	0.6
61.02931	0.8
69.03436	15.1
70.03680	2.4
71.01349	0.8
71.04997	4.8
73.02918	0.7
74.93771	0.7
75.45502	0.5
81.03419	16.8
90.78034	0.6
91.05503	1.1
99.04461	6.3
116.04939	0.7
117.05524	1.9
118.06552	5.4
137.05975	0.8
145.07634	6.2
147.09167	8.0
162.07884	1.0
163.08618	1.0
173.07115	12.3
175.07614	0.6
175.08723	5.4
191.08165	100.0
192.08374	1.0
192.13374	0.6
205.09740	0.8
231.11159	0.7
233.09154	1.4
269.97433	0.6
271.10999	0.7
281.32019	0.6
289.11942	1.8
307.12894	33.0
325.13943	20.5
330.22778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01869	2.3
56.77249	0.6
57.03429	1.8
61.02939	1.6
61.55923	0.5
69.03433	16.2
69.84438	2.1
69.84851	0.9
70.06576	0.6
71.01357	1.3
71.05001	5.3
73.02942	0.7
81.03427	18.6
85.02911	1.3
91.05484	1.2
98.20798	0.7
99.04455	7.2
108.08141	0.9
116.05007	1.0
117.05502	1.0
118.06532	5.2
119.08624	0.6
121.10174	0.8
122.10900	0.5
124.32831	0.6
124.50713	0.5
137.05998	0.8
145.07607	7.3
147.09175	8.3
150.12711	0.7
152.14337	0.8
162.07912	1.4
163.03905	0.8
163.08714	1.4
163.11169	0.7
173.07118	13.9
175.08690	5.5
187.08730	0.6
191.08165	100.0
192.08566	1.0
196.17041	0.5
203.08266	0.6
205.09695	0.7
233.09183	1.3
271.10822	0.8
271.53412	0.5
282.16974	3.2
289.11884	1.8
295.63541	0.6
307.12900	30.6
321.35324	0.6
325.13922	21.7
326.19620	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.05510	1.6
65.03917	0.7
67.05501	3.1
69.07076	9.0
69.41534	2.6
69.41946	1.7
70.34966	0.6
72.23064	0.6
73.58845	0.6
79.05505	3.2
81.07066	6.5
82.55280	0.8
83.04980	3.9
84.25487	0.6
86.09711	100.0
87.05134	0.6
87.10038	0.8
88.88931	0.6
91.05499	7.5
93.07053	11.9
93.07622	0.8
95.04970	2.9
95.08627	1.9
98.21525	1.2
105.07031	12.8
107.08604	2.7
109.06528	8.0
109.10152	1.0
111.08099	2.8
117.07072	0.7
119.08596	4.1
121.10145	1.2
123.08105	1.5
123.11758	0.7
128.10713	4.9
131.08549	3.2
132.10211	30.5
133.06541	1.2
133.10133	17.6
133.11090	1.0
147.11699	12.2
149.09714	1.3
149.13281	0.8
151.07562	2.8
151.11189	41.7
156.10260	0.7
157.10120	0.9
165.12804	1.0
175.11218	3.3
193.12212	3.0
229.94850	0.7
260.20102	6.6
268.90533	0.6
272.09985	0.9
278.21170	26.9
306.20645	5.6
324.21695	13.8
335.20956	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.03957	0.5
54.87988	0.5
55.01864	0.8
55.05510	2.4
57.03430	0.5
57.05833	0.6
57.07082	0.6
67.05514	4.8
69.03432	1.3
69.07072	10.8
70.07411	1.0
71.04982	0.6
71.52048	0.8
79.05503	4.5
81.03425	0.7
81.07059	10.8
83.04987	3.8
83.08621	0.6
84.04501	1.1
84.08169	0.7
85.06590	0.8
86.09711	100.0
91.05486	10.4
92.05846	0.6
93.07049	12.6
95.04966	3.0
95.08623	4.2
96.08934	0.7
97.06531	0.6
105.07036	15.2
106.07394	0.8
107.04956	1.0
107.08601	4.3
108.08942	0.6
109.06522	9.6
109.10172	2.1
111.08078	2.8
119.08588	4.7
121.10166	1.7
123.04424	0.5
123.08067	0.7
123.11717	1.0
128.10730	4.5
129.06979	0.6
130.05009	1.0
131.08577	4.9
132.10217	31.3
133.06502	1.4
133.10138	18.1
137.06007	0.6
137.13362	0.5
147.08038	0.7
147.10538	0.8
147.11696	12.5
149.09648	1.8
149.13333	1.7
151.07625	3.1
151.11195	41.1
156.10237	1.5
157.10223	0.6
160.57631	0.5
165.12811	1.5
167.14307	0.6
175.06038	0.5
175.11176	4.2
177.03325	1.9
192.13884	0.9
193.12325	4.2
210.14948	1.0
210.18550	0.9
222.15002	0.5
260.20142	5.6
264.10788	0.5
278.21164	29.5
279.21722	0.7
297.83987	0.5
306.20718	4.2
306.23859	0.8
324.21780	12.8
324.25510	0.7
337.10645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.108
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03951	0.2
57.03424	0.4
61.02930	0.4
64.26402	0.2
67.62273	0.2
69.03432	1.6
69.72153	0.9
70.27483	0.1
72.81603	0.2
73.02917	0.2
81.03419	0.6
85.02434	0.3
85.02911	3.1
87.04461	0.3
91.03992	0.2
97.02907	1.1
98.20824	0.2
99.04444	0.2
106.06565	0.2
109.02904	0.3
127.03924	0.6
134.06042	1.1
145.05006	0.6
162.05515	100.0
163.05930	0.9
252.89081	0.2
319.93228	0.2
324.10767	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	324.1958
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03939	0.7
53.68431	0.2
58.95660	0.3
59.00466	0.2
61.51537	0.2
63.78574	0.2
69.38738	1.9
69.97354	0.2
77.03894	0.4
79.05498	19.3
91.05475	0.5
93.07030	1.2
95.04956	0.6
103.05470	41.1
104.05782	0.4
105.04492	0.3
105.07026	2.2
107.04959	22.1
112.74968	0.2
118.06541	5.9
119.07256	0.2
121.06523	1.3
121.11452	0.3
131.04933	11.6
131.08609	0.3
132.08087	2.3
133.08878	1.0
134.09624	0.7
146.09639	2.1
147.10429	0.5
147.80017	0.3
149.05966	0.8
160.11211	0.6
176.14352	49.1
177.14682	0.5
189.15137	0.5
233.14133	0.6
280.13251	0.4
294.14761	0.4
324.19577	100.0
325.19931	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2581
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
51.95966	1.3
52.12450	1.4
53.03933	3.4
55.01873	2.1
55.05514	17.3
57.03439	8.0
57.07067	5.0
59.05011	6.5
67.05508	32.7
69.03429	9.2
69.07069	59.6
70.10525	2.9
70.10912	4.1
71.05008	7.6
71.08640	1.7
72.29093	1.4
73.73952	1.6
79.05493	27.3
81.03416	3.8
81.07058	75.4
83.04978	6.5
83.08615	7.3
85.06536	5.9
91.05476	16.1
93.07044	83.7
95.04978	10.3
95.08610	100.0
96.08974	1.9
97.06520	13.3
97.10167	5.9
97.43259	1.4
99.04454	5.8
99.08086	3.0
99.34583	1.5
103.05453	1.9
104.36478	1.5
105.07030	22.3
107.04963	2.3
107.08593	37.1
109.06534	10.7
109.09465	2.9
109.10151	28.6
111.08077	9.2
111.11694	10.4
111.49874	1.4
119.08575	9.6
120.08009	1.4
121.06541	3.1
121.10149	72.6
123.08096	9.1
123.11701	14.2
125.05978	1.5
125.09648	9.0
131.08604	8.9
133.10133	10.4
135.11696	16.7
137.05977	1.7
137.09637	9.5
137.13249	5.6
139.11183	23.4
145.10139	6.2
147.11681	6.6
149.09592	10.0
149.13251	5.6
151.11172	3.2
151.14719	1.5
153.12766	13.8
155.10667	4.7
157.10040	2.2
159.11754	3.4
161.09607	1.9
161.13266	2.4
163.11197	5.9
165.12798	4.8
167.10675	24.6
173.13213	2.5
175.14825	2.7
176.10561	1.4
181.12222	19.4
183.69760	1.6
187.14694	2.1
189.16408	2.1
201.16298	2.2
206.70903	1.4
207.17542	1.6
213.16327	1.7
217.19583	1.6
239.82771	1.3
269.22556	2.4
270.12918	1.6
287.23630	4.3
291.10376	1.9
305.24707	10.6
323.25815	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2583
Annotation	Pacificanone A
Peak:m/z	Relative Intensity
53.03933	2.9
54.28120	1.9
55.05518	21.2
57.03436	4.6
57.07061	5.9
59.04998	8.3
65.03927	2.1
67.05511	35.1
69.03429	9.7
69.07072	50.2
70.77110	1.9
70.77461	4.6
71.01360	2.7
71.04995	31.9
79.05499	37.3
79.55484	1.7
81.07059	100.0
83.04975	8.4
83.08620	17.1
85.06537	3.9
91.05476	22.6
92.02128	1.7
93.07047	85.7
95.04987	8.9
95.08612	80.9
97.06525	13.1
97.10170	5.1
99.04445	3.3
105.07036	29.1
107.04964	4.5
107.08602	55.0
109.06518	7.3
109.10162	50.1
111.08092	8.6
111.10770	1.6
111.11723	8.6
116.16621	2.3
117.07016	5.3
119.08600	19.1
121.06541	4.5
121.10149	87.6
123.08044	5.5
123.11696	32.9
125.06032	5.4
131.08522	3.1
133.10156	24.5
135.11691	39.0
137.09618	9.9
137.13303	5.5
139.07574	2.1
139.11191	9.8
145.10104	18.9
147.11694	7.1
149.13249	7.9
151.11217	6.0
153.01810	3.4
153.12770	15.2
157.10124	2.7
159.11603	4.3
161.09567	2.9
161.13252	2.9
163.11177	25.2
165.12779	4.5
167.10672	2.2
177.16429	3.0
181.12242	22.7
181.98883	1.6
199.13182	1.7
231.21024	1.7
269.22626	3.5
305.24847	10.8
323.25842	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2585
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03953	3.0
55.01863	2.2
55.05515	18.4
57.03436	7.8
57.07085	3.0
59.05009	3.2
67.05511	28.1
69.03423	7.1
69.07076	72.5
69.11423	1.9
70.62357	3.9
70.62692	1.9
71.04990	4.4
77.03898	2.0
79.05507	33.6
81.03436	3.6
81.07065	62.7
83.04988	3.2
83.08619	7.4
85.06551	4.7
87.89957	1.8
91.05503	18.5
93.07053	100.0
95.04976	19.1
95.08617	92.1
97.06546	10.1
97.10185	5.9
99.04501	2.0
99.08067	2.2
103.05472	2.1
105.07037	28.1
107.08607	35.3
109.06548	13.2
109.10159	27.5
111.08084	7.6
111.11742	9.7
114.33380	1.9
115.59588	2.1
119.08598	11.4
120.18698	1.8
121.06469	2.3
121.10153	91.9
121.48468	1.9
123.08086	11.7
123.11709	12.8
125.09647	12.6
125.37067	1.7
131.08577	12.0
132.19057	2.1
133.10138	8.4
135.11743	3.0
137.09607	9.0
137.13290	4.9
139.11192	23.2
140.32729	1.9
141.09126	2.1
145.10153	3.7
147.11685	5.4
149.09660	13.2
149.13252	6.0
153.12833	2.7
155.10690	7.2
159.11716	2.3
161.13338	2.7
165.12778	7.1
167.10683	30.4
173.13280	2.6
177.16408	3.4
181.12265	2.5
189.16454	2.3
207.12761	2.6
207.17451	2.7
214.95242	2.0
239.21555	2.1
269.22714	2.7
287.23663	5.4
296.08917	2.0
305.24945	11.2
305.27707	2.3
323.25845	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	323.2582
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03951	4.2
55.01841	3.4
55.05513	23.4
57.03428	3.1
57.07066	6.7
59.04990	4.6
62.17063	2.0
67.05504	35.0
69.03429	26.5
69.07072	59.3
69.40836	12.2
69.41247	4.3
71.05002	19.4
71.08616	3.6
79.05070	3.1
79.05492	38.5
79.60860	2.0
81.03402	8.0
81.07059	100.0
83.04956	8.7
83.08630	16.5
85.06528	4.8
91.05476	24.5
93.07043	86.9
95.04985	11.9
95.08612	82.4
97.06540	12.4
97.10152	7.5
98.21513	4.4
99.04438	3.4
99.08089	3.9
105.04502	2.4
105.07041	34.4
107.08598	53.1
109.06511	10.7
109.10162	45.4
111.04411	3.6
111.08088	11.8
111.11708	8.6
115.05452	2.5
117.06996	3.3
119.08587	20.1
121.06509	4.5
121.10149	81.2
123.08056	8.9
123.11710	31.9
125.06027	3.7
125.09622	7.5
131.08540	7.7
133.10141	23.1
135.08055	2.4
135.11684	28.7
137.09593	6.1
137.13214	5.2
139.11176	12.7
145.10114	12.5
147.11693	7.9
149.09625	6.8
149.13257	6.0
151.07544	3.0
151.11111	10.0
153.12755	13.0
155.10570	3.1
157.10117	3.0
159.11685	4.2
161.09702	4.4
161.13313	4.0
163.11176	14.2
165.12798	2.3
167.10654	13.9
167.75253	1.9
171.11702	2.2
173.13290	3.7
175.14847	4.0
177.16376	3.5
181.12262	14.5
189.16339	3.1
193.15831	3.5
205.15979	1.9
209.15553	2.6
221.54211	2.2
235.20555	2.1
237.14876	4.1
269.22479	3.0
272.45190	2.8
287.23648	4.1
305.24713	16.3
323.18683	11.5
323.22388	3.0
323.25839	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61440	3.7
53.03944	5.9
55.01872	15.2
55.05515	42.4
57.03443	7.4
65.03942	4.1
66.79424	3.3
67.05510	82.3
69.03423	7.6
69.07070	29.4
71.05003	7.9
71.08643	4.3
74.31601	3.3
79.05500	68.1
81.03402	8.1
81.07063	100.0
83.01349	4.8
83.04987	20.1
83.08635	17.1
85.06559	10.6
91.05490	61.7
93.07053	67.4
95.04984	17.4
95.08618	44.1
97.06537	12.9
97.10186	8.8
105.07041	63.7
107.04947	12.7
107.08604	50.4
109.06535	17.4
109.10162	55.5
111.04447	9.1
111.08102	12.4
117.07026	15.1
119.08595	32.9
121.06509	22.3
121.10168	18.4
123.08071	9.7
123.11713	17.9
129.07037	10.5
131.08577	24.8
133.06519	16.6
133.10141	95.3
135.08073	11.6
135.11702	10.5
137.09642	7.7
139.07536	11.8
143.08586	8.5
145.10205	19.7
147.08066	10.6
147.11705	8.3
147.96980	3.6
149.09636	14.3
151.11195	75.2
155.08609	3.9
157.10107	7.5
159.08040	8.3
159.11771	5.0
161.09647	12.5
163.11217	9.4
165.09137	6.3
171.11681	11.7
173.13179	4.2
175.11220	7.8
177.09128	11.9
177.12785	5.0
179.10638	8.2
183.13823	22.2
189.12761	4.6
193.12312	4.2
207.13820	4.3
227.18056	4.6
229.14388	4.8
245.18976	17.9
255.17648	4.6
263.20129	15.5
273.18533	38.2
291.19577	76.0
305.21191	18.6
320.84082	3.5
323.22269	31.4
323.25754	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	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.7
55.05510	3.3
57.03201	1.7
57.03444	25.0
57.07053	1.4
67.05183	1.9
67.05512	22.3
69.07063	2.7
69.79840	6.2
71.04975	3.7
79.05500	11.5
81.03415	2.4
81.07075	10.1
83.08631	2.2
85.06085	1.9
85.06554	26.8
91.05490	10.3
93.07055	9.2
95.04978	34.4
95.08599	7.9
97.06511	2.6
105.07032	6.5
107.04943	2.4
107.08603	7.5
109.06529	28.4
113.06015	100.0
117.07011	5.5
119.08569	5.7
121.10153	2.8
123.08163	1.8
129.07018	3.2
131.08588	5.2
133.10135	4.4
135.08066	22.1
135.11684	2.9
143.08583	2.8
145.10143	4.5
147.08081	1.4
149.09631	3.8
157.10110	3.2
159.08025	1.7
159.11732	2.1
161.09607	5.5
163.11145	1.6
169.10031	1.5
171.08022	5.1
171.11664	1.7
175.11180	2.4
182.96097	1.5
183.11725	2.3
193.10062	2.2
197.09628	2.8
211.11168	8.0
217.15912	6.8
273.18549	10.4
291.19562	34.5
305.21060	2.0
323.23633	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92587	1.2
53.03941	2.7
55.01864	5.8
55.05515	30.1
57.03436	2.6
57.07074	1.6
62.06100	11.3
67.05506	17.9
69.03417	4.9
69.07069	12.0
70.03486	3.0
70.03899	3.8
71.04984	3.0
79.05150	1.3
79.05502	17.0
81.03395	3.3
81.07068	16.4
83.04966	4.3
83.08622	13.0
91.05487	10.3
93.07052	13.2
95.04991	2.8
95.08604	10.9
97.02901	2.2
97.06534	3.5
97.10175	22.2
102.32359	1.4
105.07036	10.6
107.04944	4.8
107.08608	14.4
109.06509	1.8
109.10147	4.7
111.08082	1.7
117.07023	4.9
119.08567	7.5
121.06540	3.7
121.10127	4.9
123.08064	6.5
125.09631	19.4
128.06213	1.4
129.07014	3.7
131.08566	5.9
133.06548	2.4
133.10133	3.9
135.08026	4.0
135.11664	2.6
137.09616	2.4
143.08632	2.9
145.10117	4.5
147.08031	4.5
147.11668	2.5
149.09628	2.1
153.09113	4.5
157.10176	2.2
159.11668	1.9
161.13396	1.7
162.10472	1.8
163.11238	1.9
165.09071	2.2
171.08168	1.7
193.12335	1.6
203.12723	10.1
223.13293	7.8
237.14879	1.7
245.18919	1.7
249.14879	1.7
263.20026	1.8
273.18484	9.0
291.19550	100.0
305.21130	25.4
305.24359	1.2
323.22028	7.4
323.27637	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	323.074
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01215	23.6
70.01561	4.7
85.68748	4.7
85.89313	5.1
94.93036	5.6
98.20842	7.5
98.59663	5.4
143.01892	8.1
161.02856	6.8
170.18782	5.4
172.68254	6.0
247.47012	6.0
295.66855	4.9
300.66843	6.2
323.07431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.4
53.73949	2.1
54.45885	2.4
55.01869	13.2
55.05514	37.9
57.03434	5.9
57.07069	4.9
65.03943	4.2
66.04697	2.8
67.05505	70.4
69.03419	9.6
69.07069	24.6
71.04971	5.3
71.51376	4.9
79.05066	4.3
79.05493	52.3
81.03405	4.1
81.06590	4.6
81.07060	83.0
83.01353	5.7
83.04977	19.9
83.08601	11.8
85.06575	5.3
91.05482	57.4
93.06486	4.1
93.07043	62.3
95.04987	18.6
95.08611	39.8
97.02895	2.8
97.06503	13.9
97.10166	8.6
105.07031	49.5
107.04967	16.4
107.08605	48.5
109.06509	17.1
109.10155	41.8
111.04471	13.0
111.08093	17.6
117.07048	12.6
119.08581	24.9
121.06506	19.1
121.10161	13.9
123.04431	7.5
123.08073	7.9
123.11684	7.4
127.07563	3.1
128.06241	3.4
129.07013	11.2
131.08578	13.8
133.06505	14.9
133.10141	68.3
135.08069	7.6
135.11694	10.1
137.05989	4.0
137.09537	6.0
139.07532	11.0
143.08572	9.2
145.06415	4.6
145.10132	11.6
147.08086	12.7
147.11702	9.6
149.09593	13.6
149.13254	4.2
151.07526	3.0
151.11197	54.1
153.09192	2.7
157.10107	8.6
159.08064	4.3
159.11667	5.3
161.09619	13.5
161.13341	4.4
163.11159	6.5
165.09122	3.9
169.10193	2.6
171.08035	2.8
171.11681	8.8
173.13185	3.0
175.11191	9.6
177.09137	7.1
179.10686	10.8
181.12210	3.1
183.13815	17.5
185.13284	3.7
187.11307	3.8
189.12801	6.2
193.12296	3.0
199.11243	3.9
203.14310	6.0
207.13832	6.5
213.16405	2.6
229.14316	3.5
231.13869	2.9
245.19025	17.1
255.17586	4.7
263.20090	25.6
273.18555	45.7
278.59253	2.7
291.19556	100.0
305.21295	6.1
323.22232	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	323.0401
Annotation	Digallate
Peak:m/z	Relative Intensity
50.01593	0.5
51.02377	1.2
55.05521	0.4
69.03439	0.9
70.48840	1.2
79.01859	7.4
81.03440	0.5
82.06570	0.4
84.04510	0.4
84.08150	21.5
85.02927	0.8
91.05485	0.3
97.02889	1.9
98.97566	0.6
102.58524	0.3
105.07143	0.4
107.01317	1.9
120.08120	0.5
120.97457	0.3
121.08420	0.5
123.00793	0.6
123.05592	0.4
125.02352	3.5
127.03957	0.6
130.04990	0.3
143.03403	7.0
147.04469	0.7
153.01843	100.0
153.02922	6.9
154.02196	0.7
158.90627	0.3
158.97351	0.4
161.02147	1.2
161.07062	0.9
162.05513	5.9
164.07411	5.5
178.96072	0.3
181.12318	0.3
185.04201	1.9
203.05315	0.6
217.01268	0.5
234.99110	0.6
305.02069	1.0
305.11090	0.3
323.07355	1.9
323.12601	1.2
323.16382	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	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	8.0
55.05508	5.5
57.03433	9.2
67.05497	7.6
69.03419	12.1
69.07077	7.7
70.63336	9.4
79.05492	32.6
81.03404	3.3
81.07065	36.0
83.04971	3.5
83.08696	2.9
85.02900	9.4
91.05484	14.1
93.07040	7.9
95.01338	11.1
95.04960	11.0
97.06551	19.5
104.68718	2.6
105.07059	5.8
107.08631	5.5
109.06528	24.4
111.08094	3.6
117.07022	5.8
119.04965	4.6
119.08576	9.3
121.06487	4.8
123.04454	2.7
123.08000	4.1
125.05963	3.9
129.07016	3.7
131.08563	5.0
135.08067	6.7
137.05959	8.6
137.09628	4.7
139.03888	8.3
139.07535	4.9
141.01849	3.5
141.05400	4.5
145.06494	3.9
147.08044	9.3
149.05962	4.3
151.07492	3.0
155.07057	4.8
161.85387	3.0
163.07550	12.0
165.09148	22.9
167.06906	3.8
173.06116	3.3
174.44189	3.1
175.07504	6.8
181.08664	7.2
183.10178	3.3
191.07077	4.0
193.08638	22.0
197.04494	4.3
199.09721	17.4
209.08128	9.4
211.09721	18.0
217.68753	2.8
227.09158	9.0
237.07593	6.3
255.08650	100.0
273.09567	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	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45834	1.8
52.87518	1.9
53.03944	4.6
54.11567	2.2
55.01875	8.0
55.05514	7.4
57.03434	11.5
58.63112	2.3
63.62690	2.2
65.03958	2.2
67.05489	11.1
69.03434	13.5
69.07072	12.8
70.06609	3.4
71.01369	3.8
71.23750	2.1
71.52143	2.2
77.03949	2.3
79.05505	32.6
81.03429	5.2
81.07066	38.6
83.04986	6.3
84.04523	2.9
85.02911	14.9
91.05488	20.8
93.07050	14.3
95.01348	16.5
95.04977	12.8
95.08627	4.6
96.08952	2.3
97.02894	2.8
97.06538	22.5
99.04449	7.5
105.07046	9.6
106.06611	2.8
107.04959	8.0
107.08600	6.8
109.02862	2.6
109.06525	19.7
109.10170	7.2
111.04435	3.9
111.08087	2.3
113.02377	5.1
117.07035	7.6
118.06547	2.0
119.04906	10.3
119.08588	12.4
121.06502	5.6
121.10145	2.7
122.06033	3.1
122.10460	3.3
123.04481	4.1
123.08074	5.1
125.02360	2.8
125.05994	5.4
127.03941	2.4
129.07010	4.0
130.08606	3.0
131.08600	4.2
133.06477	3.5
135.08047	7.2
136.07591	24.5
137.06009	18.4
137.09621	2.6
139.03902	9.4
139.07497	3.8
141.01860	5.7
141.05493	4.0
145.06512	2.5
147.04408	2.9
147.08083	13.7
149.06006	6.1
151.03963	2.2
153.01859	2.5
161.05984	2.5
163.03862	2.5
163.07584	14.4
165.05586	3.0
165.09149	23.2
167.07065	4.6
170.55750	2.3
173.05951	2.4
175.07506	4.5
177.05443	2.3
179.07062	5.4
181.08701	9.7
183.10205	8.1
191.07123	3.2
193.08650	19.1
196.09727	3.4
197.04541	12.4
199.09698	2.5
202.08644	6.8
209.08089	11.4
211.09698	24.3
219.06543	2.7
225.07596	4.5
227.09196	6.0
236.09218	3.7
237.07571	10.1
244.09702	10.7
255.08672	100.0
260.14746	3.3
262.10788	13.1
272.09229	3.1
273.09714	22.9
290.12299	2.9
322.16486	3.7
322.24426	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77608	2.7
53.03947	5.9
53.80453	2.9
53.93281	2.7
54.23112	3.0
55.01860	6.6
55.05502	12.9
57.03425	9.4
57.07059	3.2
62.32615	2.5
63.07626	2.8
67.05510	19.9
68.05834	2.7
69.03445	14.4
69.07076	20.8
70.07403	3.3
71.04972	3.5
71.50668	5.4
79.05083	3.0
79.05505	38.0
81.03421	5.9
81.07063	69.9
82.07381	12.8
83.04988	6.8
83.08612	3.2
84.66673	2.8
85.02888	7.9
85.06527	5.7
86.06876	3.2
91.05493	21.8
92.05817	3.5
93.07037	22.0
94.07374	8.5
95.01324	16.0
95.04942	12.4
95.08627	16.7
96.08923	9.1
97.06538	27.0
99.08098	3.5
105.07037	10.6
106.07328	4.9
107.04916	3.4
107.08602	15.7
108.08929	6.4
109.02785	3.1
109.06519	28.0
109.10163	13.8
110.06851	4.3
110.10485	6.2
111.04411	3.7
111.08068	5.6
112.43988	3.5
119.04884	4.5
119.08600	14.5
120.08956	4.9
121.10148	7.4
122.10474	6.7
123.08057	6.3
123.11685	7.7
124.12025	4.9
125.02328	3.4
125.09560	3.0
127.03910	2.9
129.07030	4.8
131.08586	5.3
133.10092	3.2
134.10489	3.3
135.08052	6.8
135.11758	3.6
137.05965	8.2
137.09576	3.0
139.03925	8.3
141.01793	3.1
141.05437	3.8
145.10097	3.5
146.03116	3.6
147.08078	9.1
149.05997	3.7
149.09621	7.7
163.07552	13.8
163.11154	3.8
164.11623	3.2
165.09109	28.1
165.12775	4.5
175.07634	5.8
181.08598	8.7
183.10368	4.3
189.03920	4.6
192.14676	3.4
193.08624	25.0
197.04472	6.8
199.09654	10.9
209.08163	11.0
211.09596	9.2
225.07629	3.3
227.09343	3.6
229.47008	3.1
237.07484	7.3
255.08658	100.0
273.09698	3.4
285.18597	3.1
290.12299	5.8
304.23523	9.4
322.20541	3.5
322.24561	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	321.2427
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03941	7.2
55.01851	2.4
55.05510	21.7
57.03443	3.2
57.07077	8.0
58.27810	1.9
65.03937	2.4
67.05509	36.9
69.03442	9.7
69.07073	43.7
69.81682	1.7
71.04989	9.1
71.17164	3.3
71.17500	2.2
74.36859	1.9
75.49494	1.8
79.05503	27.0
81.03419	17.8
81.07060	100.0
83.04980	8.7
83.08615	8.9
85.02925	2.4
85.06541	13.5
91.05486	22.5
93.07050	56.1
95.04985	15.8
95.08614	53.8
95.09131	1.4
97.06563	12.4
97.10154	5.0
99.08112	6.3
105.07030	36.0
107.04996	3.5
107.08601	39.5
109.02853	5.4
109.06507	12.6
109.10171	44.4
111.08085	7.5
111.11744	2.7
117.07009	6.0
119.08591	26.3
121.06496	5.4
121.10155	45.3
123.08092	8.9
123.11717	43.6
125.09657	5.8
129.07031	2.5
131.08578	11.0
133.10158	15.8
135.08081	8.7
135.11722	14.7
137.09624	13.6
137.13220	4.7
139.11186	11.9
141.07111	1.9
143.08562	4.7
145.02875	7.0
145.10118	15.4
147.08038	4.0
147.11708	16.2
149.05992	2.8
149.09621	6.6
149.13258	7.6
151.11192	9.5
153.12753	4.9
155.10661	4.3
157.10216	4.8
159.08002	2.1
159.11717	10.2
161.09653	3.5
161.13277	6.0
163.11197	6.6
163.14861	2.4
165.09068	3.2
165.12767	9.0
167.10664	10.2
169.73911	2.1
171.11771	5.6
173.13251	6.1
175.11201	3.9
175.14897	4.9
177.05490	10.3
177.12692	3.4
177.16434	2.7
179.10684	3.8
181.12215	2.9
183.11816	2.5
187.11177	2.1
187.14799	3.6
189.12785	3.0
189.16458	2.1
191.14381	3.3
193.08661	3.3
193.12283	2.3
197.13432	2.5
199.14827	3.1
201.16354	3.4
205.15999	2.0
209.15512	2.0
211.14827	3.6
213.16331	2.4
215.17946	2.8
221.15414	2.5
255.08728	5.2
267.21115	6.4
285.22101	7.9
303.01526	2.3
303.23190	19.7
321.09625	4.7
321.17056	3.6
321.24283	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.05519	4.9
57.07053	1.0
59.70031	0.8
62.02760	1.0
67.05503	5.5
69.03413	6.1
69.07064	6.3
70.21313	3.7
71.04988	2.5
75.44318	0.9
79.05495	5.2
81.03425	15.2
81.07057	10.8
83.04983	1.7
83.08595	1.3
85.06538	1.4
86.09708	86.5
91.05473	3.8
92.70312	1.0
93.07050	11.3
95.04980	5.9
95.08615	8.6
97.06496	1.8
97.10159	1.8
99.04495	1.4
103.05453	4.9
105.07057	5.3
107.04958	2.0
107.08584	6.5
109.02858	4.1
109.06511	1.5
109.10165	7.0
111.08064	3.0
117.03355	4.2
119.08573	3.0
120.08109	100.0
121.06480	1.2
121.10141	6.8
123.11686	3.7
127.03899	1.0
128.10719	45.0
131.04961	2.3
131.08522	1.1
133.10147	2.4
135.11678	2.1
137.09613	1.8
139.11217	1.5
145.02850	10.8
145.10123	2.1
147.11681	2.7
149.05994	2.6
149.09628	2.1
151.11180	3.1
156.09241	1.0
156.10246	10.2
159.11720	2.1
161.13258	1.3
163.11160	1.2
165.12726	2.6
166.08649	55.0
177.05469	16.5
212.07878	1.2
244.77840	1.1
285.22260	1.3
303.23093	3.9
321.09686	9.2
321.16714	1.2
321.24051	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	321.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
53.22659	0.3
55.01865	0.4
55.05516	3.5
57.07085	0.5
59.04996	0.4
65.03954	0.5
67.05508	3.5
69.03426	1.7
69.07075	5.5
71.02832	0.6
71.03154	0.5
71.04998	1.1
71.83946	0.3
79.05502	2.5
81.03435	1.3
81.07058	8.0
83.04999	1.0
83.08639	1.0
85.06566	0.8
86.09721	0.6
91.05488	4.5
93.07055	5.9
95.04988	1.6
95.08607	4.9
96.88232	0.3
97.05957	0.4
97.06547	1.3
97.10177	1.1
99.04488	0.4
99.08115	0.8
105.07034	3.3
107.04989	0.4
107.08609	5.5
109.02922	0.6
109.06532	1.9
109.10165	4.9
111.08078	1.6
112.13330	0.3
115.05462	3.6
117.03382	0.4
117.05752	1.0
117.07019	4.4
118.06548	58.9
119.07366	3.2
119.08582	2.4
120.08107	0.4
120.47482	0.4
121.06548	0.6
121.10143	3.4
123.08061	1.0
123.11716	2.8
125.09610	0.5
127.11234	0.5
129.07019	0.5
130.06543	1.0
131.08597	1.2
132.08101	1.2
133.10097	2.4
134.09659	99.4
135.08058	0.7
135.09998	0.7
135.11682	1.7
137.09656	1.7
139.07767	0.4
139.11186	1.7
142.06526	4.9
143.07315	6.4
143.08444	0.8
144.04480	0.8
144.08093	24.9
145.02859	0.9
145.10109	1.2
146.06017	100.0
147.06329	0.5
147.08063	0.7
147.11684	1.9
149.09628	0.8
149.13260	0.8
151.11223	2.1
153.01796	0.7
155.06041	1.3
157.10129	0.5
159.11729	1.7
160.07585	1.1
161.09676	0.5
161.13235	0.6
163.11194	0.8
165.12752	1.5
167.10701	0.4
169.10181	0.4
169.12195	0.4
170.06027	8.1
171.11600	0.4
173.09500	0.4
173.13351	0.5
174.09193	0.7
175.14755	0.6
177.05450	0.9
177.12735	1.5
185.13383	0.5
187.14754	0.5
188.07076	96.6
189.07396	0.9
189.12741	0.5
189.16429	0.4
192.10182	2.7
205.15932	0.7
275.16663	0.4
275.30173	0.4
285.22079	0.7
303.23105	4.2
310.02267	0.4
321.10248	0.5
321.15997	9.7
321.24200	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	321.0947
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
59.49145	5.0
59.83579	4.9
69.95899	20.7
69.96302	11.3
98.21505	7.0
141.06483	6.1
215.04979	5.7
261.08737	6.0
292.20422	5.4
321.09076	45.0
321.11569	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	321.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77937	0.3
62.23264	0.3
70.06577	0.3
70.74123	0.3
72.76337	0.4
85.01413	0.3
85.02861	0.4
95.06039	0.4
98.20746	0.8
98.97620	0.8
101.00890	0.9
103.02451	0.4
111.05574	1.5
113.00890	0.6
115.02491	0.7
116.98586	0.5
119.01976	0.3
123.05595	1.3
128.98653	0.3
129.03999	0.4
131.01932	0.9
133.03465	0.7
141.06590	3.3
143.01805	0.4
145.03499	0.4
147.05121	0.4
158.99699	0.5
159.05089	0.4
159.06378	0.6
159.07529	1.7
166.33597	0.3
171.05038	0.5
177.06131	0.8
183.05122	0.4
195.07382	0.4
201.00838	0.4
201.02538	0.5
219.03693	0.7
219.07149	1.5
221.05150	0.4
231.07176	0.9
233.08926	0.3
245.05194	0.4
255.07190	0.4
261.08209	0.3
321.11652	100.0
322.11890	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	321.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	6.2
62.45748	3.6
69.43139	12.2
69.43565	14.2
73.74580	3.3
82.99837	10.4
85.01406	6.1
97.01424	5.3
97.02907	5.1
98.97617	21.2
101.00883	56.4
103.02468	6.4
110.97562	8.6
113.00878	24.6
115.02440	32.2
119.01937	41.9
127.02424	5.2
129.03995	8.0
131.01912	23.6
133.03458	33.4
135.04967	6.9
137.00827	8.4
143.01889	22.8
144.99730	4.4
145.03461	15.9
147.05063	6.6
149.02881	3.7
155.01880	28.5
156.02597	5.6
157.03477	12.9
158.99661	4.4
159.05013	21.4
161.02994	19.2
168.99849	13.8
169.03435	4.6
171.01367	5.9
171.05038	23.6
173.02974	23.6
173.06578	5.6
175.04515	4.8
177.04602	4.8
177.06091	14.6
183.05013	5.0
185.02965	5.4
187.00908	20.7
189.02443	9.7
189.06076	8.0
191.03938	7.6
195.07166	6.3
196.99249	6.4
201.02466	6.2
201.04314	4.6
201.06149	8.0
203.04091	17.2
205.01933	6.5
211.04526	4.1
215.00418	30.2
219.01701	5.7
219.07172	19.6
221.05084	24.8
229.01933	14.6
231.07193	17.6
233.05072	8.8
233.08742	5.5
245.05130	10.9
247.03038	43.1
255.07143	6.6
261.08240	35.9
273.08261	4.8
279.09253	32.9
289.03937	5.3
321.10410	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	321.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39996	0.6
55.01885	1.1
55.50317	0.7
56.05055	0.6
56.96566	24.5
57.07058	1.1
61.02921	0.9
67.05499	0.8
69.03419	1.6
69.07054	1.0
70.06598	5.9
71.06934	2.1
71.12185	1.4
71.12533	1.0
71.95259	1.2
73.02914	1.0
79.37257	0.7
81.03409	1.4
84.04510	1.6
84.08132	0.8
84.96042	10.3
85.02914	3.3
90.94830	0.9
97.02879	1.6
97.96813	1.3
98.97585	100.0
102.97024	1.1
110.97570	24.8
112.07612	3.1
112.99146	2.9
113.07948	2.3
116.07083	1.2
116.98618	25.9
119.05021	0.8
124.99151	3.7
126.97040	1.5
127.03937	0.9
128.98608	17.3
131.00203	2.1
132.95831	1.2
134.99644	3.4
140.00214	1.0
140.98593	5.8
143.00175	8.7
144.98105	4.2
145.04868	0.8
146.99663	5.0
147.04425	1.8
152.98604	11.1
153.01855	2.5
155.00150	1.8
158.08159	2.4
158.97432	2.0
158.99648	13.5
159.00882	0.9
159.03311	0.8
159.08501	2.6
161.01230	5.5
162.99185	1.7
170.99658	10.6
173.01198	1.2
174.05850	0.9
177.00711	10.6
177.04370	1.1
182.99687	1.5
186.07774	0.7
186.96790	0.9
189.00763	3.0
189.04257	0.9
195.01863	1.2
201.00629	5.3
201.04366	1.2
216.97923	1.4
219.01743	25.4
221.00815	1.3
234.99026	4.5
235.49156	0.7
237.02821	30.3
255.03865	1.1
257.00812	1.2
259.02466	0.7
261.06442	11.9
275.01859	1.0
275.06497	0.9
277.03543	0.8
279.07526	77.6
280.08047	0.8
297.08591	10.1
302.09232	1.9
303.01486	4.1
321.08627	49.2
321.14606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56113	3.0
51.26907	2.8
56.96553	12.3
65.82752	3.0
68.35416	3.4
69.67841	20.3
70.99850	3.9
73.01433	4.0
82.99842	16.9
84.96014	3.4
85.01411	3.9
85.02894	6.1
91.45381	2.9
97.01408	7.3
98.21416	6.3
98.97602	24.7
101.00891	95.6
110.97558	6.7
113.00888	28.0
115.02442	33.1
116.98618	4.1
117.03992	4.8
117.06452	3.0
119.01930	95.1
126.98788	5.2
127.02394	3.8
128.98599	6.3
129.03973	5.5
131.01926	35.9
133.03470	40.2
137.02924	5.3
143.01920	26.0
144.99844	5.2
145.03452	11.9
147.01408	5.0
147.05040	4.0
149.02954	7.3
155.01935	15.7
157.03477	10.0
158.99625	10.3
159.01428	3.6
159.03389	2.9
159.05006	12.9
161.02985	26.2
168.99854	28.1
171.01410	10.6
171.05026	12.3
171.70638	3.1
172.99362	3.9
173.02972	30.3
175.04559	5.2
177.00784	4.7
177.02423	5.0
177.04337	6.8
177.05983	3.6
185.02946	6.0
187.00882	55.0
189.02443	20.3
189.06091	6.5
191.03976	19.1
196.99387	25.1
201.00717	5.1
201.02454	26.7
201.04115	5.1
201.06078	4.6
203.04056	10.2
205.01976	11.8
213.06090	3.4
215.00360	64.0
219.01711	9.8
219.03506	27.1
219.07234	5.8
221.05161	14.6
229.01917	45.9
229.39006	4.2
231.03485	9.4
233.01405	6.8
233.05038	31.8
237.02754	7.1
247.03011	100.0
249.04543	3.7
261.08173	12.4
265.04044	11.4
279.05991	5.8
279.09274	26.3
289.04077	16.2
289.07181	2.9
321.06586	12.6
321.10074	35.4
322.95477	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	321.0242
Annotation	Luteic acid
Peak:m/z	Relative Intensity
50.53748	0.4
56.05033	1.2
68.36993	0.4
70.06577	1.1
71.04977	0.6
71.51352	0.7
79.05459	0.4
81.07034	0.7
83.90011	0.4
86.06042	0.6
89.69804	0.4
91.05481	2.0
95.04950	0.7
95.08611	0.6
98.06055	1.1
103.05443	1.0
109.02918	0.5
109.10122	0.5
117.03384	1.1
119.04935	1.4
120.08038	0.6
122.06005	0.6
129.03384	0.8
131.04910	0.9
134.05992	0.5
143.08539	0.5
145.02878	2.5
147.04436	3.7
157.02858	1.9
160.11256	0.6
163.03914	1.8
173.02370	5.0
174.08759	1.3
175.03918	4.4
178.12296	0.6
185.02306	2.6
187.03918	2.6
190.05307	1.2
191.03424	2.6
192.13864	1.3
201.01831	11.1
203.03418	5.8
207.02974	0.7
213.01930	2.2
215.03369	1.8
216.10178	0.5
217.01317	0.6
219.02991	2.1
219.35751	0.5
229.01346	10.1
231.02896	10.8
241.01382	2.7
247.02406	9.3
257.00839	22.1
259.02380	16.0
275.01874	19.8
277.03461	12.9
285.00330	16.1
285.12323	0.9
286.00854	0.8
303.01364	100.0
303.13324	1.6
304.01660	1.5
321.02380	12.0
321.10260	0.8
321.14825	1.3
321.18469	0.6
326.28946	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	1.0
70.06597	100.0
70.74620	2.2
70.74996	1.0
71.06903	0.9
72.46915	0.9
83.04980	1.7
85.02905	1.6
87.04041	0.9
112.07614	79.3
116.07104	22.9
130.98323	0.8
140.07079	10.4
158.08139	94.7
160.78836	0.8
244.88289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1654
Annotation	Phomamide
Peak:m/z	Relative Intensity
53.03928	0.7
55.05503	2.4
56.05015	0.6
57.03445	3.1
60.04515	0.6
67.05505	1.5
69.03421	1.7
69.07063	1.9
70.32861	2.2
71.04987	1.3
72.08150	2.1
79.05482	1.6
81.03422	1.4
81.07059	6.2
82.06580	0.7
83.05004	3.5
84.08134	1.5
85.02889	2.5
85.06558	0.9
86.09688	2.1
91.05478	1.0
91.06022	0.6
93.07050	1.0
95.08609	1.1
96.08105	1.2
97.06525	1.0
98.09642	0.7
99.08068	0.8
105.06982	1.1
107.08570	1.1
109.02863	1.2
109.06516	0.7
109.10190	1.0
111.04435	1.5
118.06534	1.8
119.08588	0.8
121.10123	1.7
128.07138	1.3
130.06534	28.3
130.08598	1.7
132.08099	2.3
138.05492	1.1
139.03900	0.7
139.05840	1.4
142.08673	1.4
144.08089	2.0
145.07596	0.8
146.06001	3.8
153.01973	0.8
156.06863	8.4
156.08063	1.0
157.07625	56.8
158.06027	4.8
158.09708	1.2
159.09177	0.7
160.07549	3.1
168.08145	1.4
169.07596	4.3
170.06017	0.7
174.05518	0.9
179.03447	0.7
182.08345	1.6
183.09213	1.7
184.07680	0.8
185.07152	3.3
185.10709	3.4
186.09219	0.8
188.07082	2.0
189.01855	0.8
197.10709	1.9
202.07368	2.5
203.08159	47.0
210.36258	0.7
211.12424	3.1
212.09383	1.4
213.10274	0.7
225.10219	0.6
226.10953	2.2
227.11784	2.8
228.10323	0.8
229.13301	2.7
238.14267	0.6
239.11871	1.3
254.10776	0.8
255.11304	1.4
257.12848	20.8
270.09943	2.8
272.11511	3.5
273.12314	1.4
275.13898	2.6
283.10773	2.5
283.14139	0.6
301.11887	21.5
301.15454	100.0
302.15665	1.7
304.01096	0.7
316.41879	0.6
319.04340	2.0
319.12839	7.7
319.16522	11.2
319.19357	1.1
319.22467	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	5.7
57.03429	7.5
58.33122	1.7
59.04957	1.9
61.02926	14.3
69.03419	6.0
70.33979	2.6
70.34333	6.1
81.25098	1.7
83.04999	2.4
85.02926	11.7
97.02890	6.1
98.20821	2.0
98.23579	1.9
98.97588	8.8
101.00888	8.8
110.01285	4.4
110.07185	2.5
110.97595	4.3
113.00867	4.6
115.02437	5.4
117.58246	1.8
119.01874	19.2
127.02394	2.8
127.03924	4.4
128.02290	3.5
131.01901	7.6
133.01677	1.9
133.03473	7.0
135.03130	11.1
135.09329	1.9
139.02480	2.9
143.01906	9.0
145.03433	5.8
149.02834	1.9
155.01880	8.1
157.03473	5.4
157.04715	8.9
158.99672	2.2
161.02963	12.1
170.99641	2.0
171.01274	2.3
171.05038	3.6
173.01231	1.9
173.02933	5.6
173.61110	1.9
175.04517	4.0
178.00423	2.1
183.05025	2.0
185.02902	3.3
189.00703	2.2
190.03128	3.6
191.03929	4.0
192.02879	2.1
199.04599	3.9
201.00687	3.7
203.03992	4.2
204.02956	3.5
207.05226	4.7
213.03423	5.9
215.04111	2.2
217.01889	2.2
220.04175	13.3
221.05020	6.9
229.04736	2.2
245.06313	7.8
252.78522	2.0
257.05060	2.1
259.06635	5.1
273.08640	3.4
287.06046	4.1
291.09265	3.9
301.08771	2.2
312.24841	2.1
319.10190	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	319.0792
Annotation	Flustramine C
Peak:m/z	Relative Intensity
50.79824	15.3
56.12996	15.5
56.96560	17.3
61.02915	28.2
64.25285	14.2
69.67697	100.0
71.67928	14.1
75.05015	16.2
88.38343	15.4
98.20846	26.2
98.97543	18.3
110.97564	17.9
150.53314	16.9
168.38461	16.7
220.04153	42.0
245.06450	20.3
319.07544	66.0
319.10126	93.2
326.41092	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	319.0452
Annotation	Myricetin
Peak:m/z	Relative Intensity
53.03936	0.5
55.01866	0.6
55.05501	0.7
55.32448	0.2
57.07087	0.3
65.03942	0.5
67.01844	0.3
67.05495	0.9
68.99445	0.3
68.99797	4.0
69.03441	1.2
69.07077	1.2
71.01903	0.5
71.04994	0.5
79.01878	0.4
79.05511	1.3
81.03430	1.1
81.05816	0.3
81.07066	2.2
83.04976	1.0
84.08147	0.2
85.02898	0.5
85.06565	0.4
86.09693	0.5
91.05485	0.9
93.03403	0.6
93.07053	1.9
95.04993	1.5
95.08607	0.9
96.08125	0.9
97.02901	0.8
97.06528	0.8
98.06042	0.2
105.03390	0.3
105.07037	1.3
107.01338	0.4
107.04950	0.3
107.08609	1.0
109.02235	0.3
109.02898	3.6
109.06515	0.9
109.10164	0.7
111.00814	5.4
111.04459	1.3
115.05478	0.4
117.07028	0.4
119.08548	1.1
121.02884	0.5
121.06509	0.9
121.10148	0.9
123.04465	0.4
123.08068	0.3
123.11727	0.5
124.07607	3.4
125.02333	0.6
125.05988	0.4
125.09644	0.3
126.03188	0.5
127.03924	0.8
129.06950	0.3
130.06522	0.3
131.01437	0.2
131.04959	0.3
131.08597	0.4
132.08099	0.6
133.02917	0.4
133.06523	0.4
133.10124	0.8
135.08046	0.5
135.11685	0.5
136.07574	0.5
137.02356	4.8
137.05969	0.4
137.09630	0.5
138.05524	0.4
139.03984	1.1
139.05823	0.5
139.11223	0.4
144.01190	0.3
144.10178	0.3
145.06490	0.3
145.10153	0.6
145.66425	0.2
146.05989	0.5
147.04428	0.7
147.11670	0.6
149.02380	0.3
149.06024	1.5
149.09604	0.6
151.03885	1.3
151.11162	0.2
153.01846	24.1
153.05453	0.7
159.11703	0.3
161.02336	0.4
161.06032	0.9
161.09607	0.3
163.03920	0.3
163.11203	0.6
165.01854	9.2
166.02583	1.2
167.03502	0.2
171.02963	0.2
171.04402	0.6
171.11694	0.5
173.13185	0.2
175.03915	0.5
177.05489	2.6
179.03410	3.4
183.02905	2.4
187.14755	0.2
188.07021	0.6
189.01871	0.3
189.05487	2.2
191.03458	0.3
191.10672	0.3
193.01324	0.5
195.02928	1.6
199.03922	1.1
203.03404	1.0
204.08478	0.3
207.02904	1.0
216.04211	0.3
217.04985	6.3
219.02980	0.6
221.04497	0.6
227.03383	1.2
227.08391	0.3
229.05000	0.5
231.02863	0.5
235.02448	0.6
235.06039	0.5
238.34210	0.2
244.03799	0.8
245.04469	8.9
255.02913	1.8
255.08090	0.6
255.11217	0.2
259.11179	0.3
263.05502	1.9
272.03241	0.3
273.00925	0.5
273.03943	10.0
273.11703	0.5
275.13876	0.3
277.03528	0.2
283.02435	0.5
290.04202	2.2
291.04987	0.4
301.03503	1.7
301.11685	1.4
301.14890	0.4
301.21634	0.8
319.04507	100.0
319.22705	1.1
320.04886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05502	0.6
65.03941	0.5
67.01858	0.7
67.05496	0.7
68.99445	0.3
68.99796	5.2
69.03417	1.1
69.07064	0.5
70.44224	0.9
71.01363	0.3
74.20827	0.2
75.50721	0.2
79.01860	0.5
79.05502	0.4
81.03409	1.1
81.07052	1.1
83.04980	1.0
85.02901	0.4
86.09727	0.4
91.05488	0.7
93.03400	0.7
93.07043	0.8
95.04944	0.5
95.08605	0.7
97.02879	0.6
97.06541	0.3
103.05461	0.4
105.07021	1.0
107.08610	0.4
109.02892	3.4
109.06532	0.2
109.10165	0.5
111.00816	5.5
111.04447	1.1
118.06493	0.3
118.64651	0.2
119.08560	0.4
121.02873	0.7
121.06531	0.6
121.10142	0.6
123.04395	0.3
123.08105	0.3
125.02391	0.6
126.03159	0.5
127.03922	0.7
130.05042	0.3
131.04893	0.3
131.08551	0.3
133.02861	0.4
133.06479	0.3
133.10184	0.5
137.02357	5.1
138.05481	0.5
139.03935	1.4
139.05888	0.5
139.11195	0.5
145.10132	0.3
146.05992	0.4
147.04402	0.7
147.11632	0.3
149.02278	0.4
149.06003	0.6
149.09616	0.3
151.03882	0.3
153.01842	24.3
153.05423	0.6
155.04874	0.3
157.02753	0.2
157.45781	0.2
159.04466	0.3
159.11670	0.5
161.02373	0.3
161.06012	0.9
165.01851	8.7
165.09027	0.3
166.02597	1.0
171.04425	0.6
173.06039	0.4
175.03908	0.5
177.05527	1.2
177.59297	0.2
179.03423	3.2
183.02922	1.9
189.05461	2.1
190.02402	0.2
191.03296	0.4
193.01379	0.8
195.02904	1.4
199.03938	1.0
203.03394	1.2
207.02895	1.2
216.04195	0.4
216.10466	0.3
217.04974	6.1
219.02959	0.4
221.04478	0.7
227.03349	1.2
229.04939	0.6
231.02985	0.7
235.02394	0.3
235.06061	0.4
244.03656	0.8
245.04462	9.2
255.03018	1.6
263.05539	1.6
272.03146	0.5
273.03964	10.0
283.02209	0.5
290.04248	3.1
291.04810	0.5
301.03448	1.8
301.11664	0.7
301.21860	0.3
319.04504	100.0
320.04846	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01883	2.7
56.96553	2.9
57.03433	2.7
60.04521	1.2
61.02920	3.7
67.05505	2.6
69.03419	10.3
70.03367	5.1
70.06584	4.0
71.04995	2.1
72.08125	1.8
73.02933	2.6
79.05476	2.1
81.03409	5.7
81.07076	1.9
83.01382	1.3
83.05000	1.2
84.04526	2.1
84.08157	2.2
85.02909	45.4
86.09712	5.4
87.04489	2.7
91.03956	2.6
91.05515	1.3
93.07061	1.3
95.05013	1.3
96.04511	1.1
97.02892	13.3
98.97585	5.8
99.04458	3.4
109.02917	6.0
110.06037	8.6
111.04434	2.0
116.98627	1.6
120.08189	1.2
121.06511	22.2
127.03922	9.9
128.98653	1.2
132.10278	1.4
137.05977	1.5
138.05508	100.0
138.09160	4.1
141.06607	1.4
145.04982	15.5
146.33754	1.1
153.01869	2.3
156.06557	44.5
156.10190	8.1
158.99744	1.4
159.07825	2.0
163.06050	2.3
175.07487	1.4
177.00722	1.9
180.08665	4.8
187.07440	4.0
187.54266	1.7
201.12363	1.9
205.08611	2.5
219.01674	2.1
221.00909	1.2
264.09781	1.4
318.11816	2.1
318.15433	1.8
319.00818	2.0
319.13702	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	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
55.05497	0.6
56.99765	0.4
57.03423	1.4
61.02916	1.0
64.08080	0.5
69.03432	3.0
69.07068	1.0
69.27631	2.9
69.28046	1.5
69.39182	0.5
73.02913	0.7
81.03427	1.1
82.06561	1.0
83.08610	0.8
84.21741	0.4
85.02438	0.6
85.02908	6.0
87.04468	0.9
93.07030	1.3
95.08580	1.2
96.04495	3.4
96.08114	2.0
97.02911	2.7
97.05268	2.1
97.06525	1.4
98.23846	0.5
100.07616	1.4
108.08177	0.6
109.02861	1.2
109.06548	0.5
110.06042	6.7
110.09685	4.0
111.08084	1.1
118.16539	0.5
120.08109	0.6
121.06524	0.7
125.08415	0.7
126.05519	0.5
126.09170	9.3
127.03923	1.7
138.05518	1.5
138.09148	20.8
139.07544	1.3
145.04955	1.0
156.10210	100.0
157.10660	1.2
180.10141	0.5
190.70605	0.5
198.11313	1.1
220.18587	0.4
318.15594	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61326	1.0
53.03951	1.6
55.01860	0.9
57.03446	1.6
58.19199	0.8
60.61430	1.0
61.02927	4.3
66.44293	1.0
69.03437	8.2
70.06597	100.0
71.06904	1.3
71.50724	1.4
72.91913	0.8
73.02918	2.0
73.62442	0.9
74.06085	1.1
81.03448	2.0
83.04988	1.4
84.04510	1.6
84.08150	3.9
85.02911	42.3
86.09716	1.5
87.04483	1.5
91.03971	2.2
91.05501	1.5
92.32655	1.0
93.07062	2.4
95.04996	1.0
97.02903	8.9
99.04454	1.9
103.05506	1.4
109.02875	2.6
109.07605	1.2
109.31805	1.1
110.06062	4.2
115.08694	5.2
120.08109	7.6
121.06516	31.1
125.07140	0.9
127.03934	7.5
129.10246	1.7
130.06560	5.7
132.04433	2.7
138.05511	45.2
138.09129	1.6
139.05843	1.2
143.11847	1.3
145.04965	12.8
145.06105	1.2
145.06595	1.3
147.11255	1.5
151.07616	1.1
153.01852	2.3
154.02115	1.5
154.04987	1.2
156.06552	20.2
156.10201	4.9
157.07616	3.8
158.06033	6.1
159.08034	1.5
159.09172	2.5
163.06044	2.6
175.08696	12.5
180.08691	1.1
187.07520	6.0
192.34758	0.9
203.08226	4.9
205.08652	4.3
214.66536	1.0
221.09180	18.6
221.12672	1.0
226.15587	1.3
229.08537	1.4
244.16588	3.4
246.09698	1.4
247.09697	2.3
282.91214	1.0
300.09991	0.8
300.13708	2.2
301.06738	1.3
318.11340	3.0
318.14554	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	318.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22807	0.5
56.96570	0.5
57.03443	0.6
68.05064	0.7
69.03439	1.9
70.06598	100.0
70.68638	0.8
71.06940	0.7
81.03428	0.8
82.06615	0.7
83.04992	1.4
84.04478	0.5
84.08160	0.7
85.02911	5.8
86.09709	0.8
95.04957	0.6
97.02901	1.4
105.07063	0.6
110.06086	1.7
111.04489	0.5
115.08717	0.9
116.07121	0.6
120.08129	0.6
121.02895	0.8
121.06511	4.3
125.07146	0.7
127.03954	1.0
130.06543	5.4
132.04463	2.3
132.08179	0.7
138.05511	19.8
138.09138	0.7
139.03976	1.1
140.04688	0.7
145.04996	1.4
148.07600	0.6
153.01881	0.6
154.05081	0.5
155.07004	0.5
155.08176	1.0
156.06531	8.4
156.10257	1.4
157.07657	5.1
158.06042	7.7
159.09232	2.2
170.36647	0.5
175.08702	13.2
175.10129	0.9
182.05379	0.6
185.07120	1.1
187.07593	1.1
203.08171	6.2
204.06750	0.9
205.04007	0.5
221.09229	20.4
256.14536	1.4
283.10928	0.6
300.10193	0.7
300.13248	2.4
318.11420	1.0
318.14609	9.1
326.10724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
56.96570	1.3
57.03443	0.7
61.02933	1.3
61.14367	0.3
61.95975	0.3
67.25285	0.4
69.03443	2.5
70.98135	0.3
71.50432	0.7
73.02919	0.6
81.03426	0.7
82.06574	0.6
84.08143	0.3
85.02911	4.5
87.04470	0.5
91.03967	0.4
91.65835	0.3
96.46667	0.3
97.02901	2.0
98.97594	1.4
99.04458	0.5
101.00898	0.6
109.02895	0.6
110.06048	7.0
110.09701	0.4
111.08093	0.4
115.02475	0.4
119.01910	1.2
127.03896	0.8
128.02367	0.5
128.98587	0.5
131.01892	0.4
133.03522	0.6
138.05513	100.0
139.05858	0.7
143.01877	0.8
145.03481	0.4
145.04926	0.5
146.99599	0.4
150.03110	0.3
153.01843	0.5
155.01936	0.5
156.06567	43.4
156.10127	1.8
157.06799	0.4
158.99689	0.5
161.02994	0.7
168.01787	0.7
171.52989	0.3
173.03082	0.4
177.02304	0.5
187.02904	0.3
210.03175	0.4
217.01909	0.9
219.01717	0.6
221.05145	0.5
228.03877	0.5
259.06641	0.5
318.11987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02944	0.6
68.05013	0.7
69.03435	2.6
69.07076	1.0
70.06599	100.0
70.68507	1.7
72.08160	1.0
72.85481	0.5
73.02892	0.6
80.05048	0.5
81.03439	1.3
81.83256	0.5
83.04999	0.8
84.08150	1.1
85.02923	7.8
86.09731	1.0
86.17995	0.5
93.07062	0.8
97.02922	1.8
98.82475	0.5
109.02885	1.0
110.06066	2.1
115.08722	1.5
120.08129	1.2
121.02904	2.0
121.06541	4.9
125.07123	0.8
127.03968	1.9
130.05052	0.7
130.06538	6.4
132.04489	2.1
137.05995	0.8
138.05510	18.6
138.06540	1.1
138.09085	0.8
139.03896	2.7
139.06070	0.6
145.05011	2.5
153.01915	0.7
154.02234	0.6
155.08203	1.4
156.06575	10.3
156.10240	1.8
157.07622	5.0
158.06038	6.1
159.09224	2.1
167.46190	0.6
175.08701	12.6
177.66443	0.6
185.07162	0.8
187.07544	1.3
203.08231	4.6
204.06787	0.7
221.09235	22.5
229.08594	0.6
237.06755	0.7
256.14636	0.9
272.14005	0.9
300.10162	1.1
300.13574	1.8
318.11273	1.1
318.14532	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	317.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61546	0.6
53.03934	1.0
55.05521	3.4
57.03438	1.2
57.07078	1.7
59.94242	0.8
67.05518	6.6
69.07082	4.2
71.51273	1.0
75.04272	0.7
79.05494	2.7
81.07055	3.4
83.04973	0.8
83.08619	1.7
91.05473	3.5
93.07023	1.3
95.04980	4.9
95.08616	3.3
97.10189	2.1
103.05491	6.0
105.07037	2.1
107.08594	1.6
109.06553	0.8
109.10146	2.6
111.11678	1.5
115.05437	1.7
117.07028	13.4
119.08590	2.0
121.10125	1.0
123.04436	100.0
124.04744	0.7
125.13238	0.9
131.04938	7.2
131.08545	2.6
133.06447	0.8
133.10114	1.8
137.05998	9.0
143.07137	1.0
145.06490	24.9
145.10138	1.5
146.06885	0.9
147.08032	1.0
147.11728	0.9
149.05995	20.0
151.07570	1.9
159.08113	2.5
159.11798	0.9
162.04546	0.8
163.07550	80.9
173.09680	1.3
177.09113	6.8
187.11150	1.1
207.13782	1.4
220.65656	0.8
254.45137	0.8
256.26407	0.8
299.23770	2.0
302.04166	0.7
317.06750	2.0
317.21207	2.1
317.24777	16.6
318.30365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.9
52.53775	0.5
53.60426	0.5
55.01867	1.3
55.05513	4.1
56.01132	0.6
57.03440	1.1
57.07080	1.3
61.71492	0.6
65.03939	0.6
67.05511	4.9
69.07070	4.0
71.51924	0.8
77.03883	0.8
79.05521	1.4
81.07055	3.2
83.08604	2.8
85.06556	0.6
91.05495	2.8
93.07072	2.1
95.04983	4.7
95.08620	2.4
97.10159	2.8
98.77376	0.6
103.05485	4.4
105.03355	1.0
105.07059	2.7
107.04958	1.0
107.08580	1.3
109.06585	0.7
109.10179	2.6
111.11728	1.5
115.05499	2.0
116.04754	0.8
117.07023	11.6
117.87735	0.7
119.08595	1.9
121.06522	0.9
121.10131	1.0
123.04439	100.0
129.05493	1.9
131.04922	8.6
131.08575	2.7
133.10135	2.1
135.08034	0.7
137.06001	10.5
142.50186	0.6
145.06496	27.8
145.10156	0.8
147.08037	1.0
147.11722	1.1
149.05994	19.6
151.07542	1.2
151.11151	0.8
155.06134	0.7
157.08612	1.0
157.09883	0.6
159.08020	2.8
161.09674	0.9
161.13289	0.9
163.07555	76.2
164.07874	0.8
165.09109	0.7
170.08554	0.6
173.09694	1.1
177.09111	6.9
179.10684	1.2
187.11209	2.0
191.10666	0.8
193.12270	0.8
229.14467	0.6
247.17142	0.8
299.23715	1.3
317.06586	1.8
317.21277	1.0
317.24744	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	317.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84195	0.7
53.03943	1.2
53.57447	0.7
55.01875	1.7
55.05508	2.5
57.03436	3.2
59.04996	1.0
61.02924	2.7
67.05500	4.6
69.03432	6.6
69.07073	1.9
69.72821	2.3
69.73216	1.8
70.06595	0.9
71.05002	0.9
73.02916	1.3
73.89954	0.8
79.05509	5.3
81.03429	3.6
81.07059	100.0
83.04998	2.1
83.08624	1.2
85.02908	38.6
85.06564	1.4
87.04458	1.1
91.05482	2.9
93.03474	0.7
93.07049	7.8
95.04978	3.7
95.08612	11.4
97.02902	6.4
97.06571	1.4
99.04462	1.6
105.07032	4.6
107.08611	3.7
108.04581	0.8
109.02878	5.0
109.06550	0.9
109.10149	3.2
109.15932	0.7
111.04437	2.2
113.06030	2.8
115.03951	1.1
117.07027	1.7
119.08601	3.9
121.10180	2.0
123.04443	3.5
123.08106	0.9
123.11721	1.7
125.02403	0.8
125.09643	0.9
127.03912	10.2
129.05519	1.6
129.06949	1.1
131.04890	0.8
131.08598	2.9
133.10172	2.1
135.08035	0.9
135.11728	2.2
137.02380	2.5
137.06058	0.8
137.09682	1.0
137.13258	34.4
138.13640	0.8
143.08563	3.3
145.04959	9.9
145.10127	2.5
146.06038	1.5
147.08095	1.4
147.11703	3.5
149.05972	1.1
149.09576	1.3
149.13252	1.3
151.03874	0.9
151.07590	1.1
153.01839	4.2
153.02907	0.9
154.02237	1.3
155.02327	2.9
157.10155	2.0
159.11737	2.7
161.09607	1.3
161.13234	1.4
163.06026	7.4
163.11157	0.8
167.03442	2.0
167.08530	1.0
167.14351	0.9
171.11699	1.6
173.13252	1.8
179.03406	0.9
187.11192	0.8
188.07111	2.8
189.12874	1.0
191.14423	1.1
198.91338	0.8
200.04659	1.0
203.14378	2.0
215.07025	1.1
215.14302	1.3
243.06616	2.1
263.16428	5.1
274.04727	2.4
281.17560	2.5
299.10147	1.2
299.13486	0.9
302.04242	1.7
317.03134	1.7
317.06573	39.3
317.11029	4.6
317.14539	1.8
317.20749	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	317.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
55.01873	1.8
55.05520	1.4
55.80750	0.6
57.03451	3.5
61.02924	2.5
65.03945	0.6
67.05505	2.6
67.55186	0.6
69.03436	8.4
69.07067	2.5
69.75845	3.4
70.53643	0.5
71.04996	1.9
72.95563	0.5
73.02930	1.4
75.20789	0.5
79.05494	6.1
81.03431	4.0
81.07064	100.0
83.04982	1.9
83.08624	0.7
83.33025	0.5
83.63024	0.6
85.02913	46.2
91.03974	0.8
91.05470	2.9
93.07049	6.6
95.04987	2.4
95.08616	9.8
97.02893	7.2
97.06534	0.9
98.21453	1.1
99.04461	2.1
101.05965	0.6
103.03944	1.9
105.07051	4.7
105.54730	0.5
107.04988	0.6
107.08599	3.6
109.02901	6.3
109.06538	2.0
109.10174	2.4
111.04465	2.0
111.08079	1.1
115.03966	0.7
117.07054	1.4
119.08593	3.5
121.02921	0.8
121.06526	1.4
121.10149	1.6
123.04446	4.5
123.08062	0.7
123.11706	1.4
124.01563	0.8
125.02335	0.9
127.03925	10.4
129.05464	1.8
129.07010	1.3
131.08588	4.9
132.01189	1.6
133.10147	2.3
135.08015	1.3
135.11713	2.2
137.02370	2.4
137.06017	0.6
137.09647	0.7
137.13269	38.6
137.63710	0.6
138.05475	1.0
142.07823	0.7
143.08583	3.8
145.04979	12.8
145.06152	0.7
145.10170	2.1
147.06532	1.3
147.08054	1.1
147.11710	3.3
149.05965	0.6
149.09639	1.2
149.13293	1.0
151.14836	0.6
153.01828	5.3
153.02893	0.7
154.02171	1.7
155.02310	3.6
156.06525	0.6
157.10193	1.8
159.04755	1.0
159.08124	0.7
159.11728	1.4
161.09610	1.6
161.13316	1.9
163.06030	10.0
163.07455	1.1
163.11172	0.9
165.05489	1.5
165.12877	0.9
167.03424	3.5
167.08646	1.0
169.10229	0.6
171.11681	0.8
173.09648	0.8
173.13252	2.7
175.11201	0.7
177.09193	0.6
177.12793	0.9
179.03418	1.6
183.11768	0.8
185.09639	1.0
189.12737	1.1
191.10680	0.7
191.14284	0.9
197.04471	0.8
197.13403	1.1
202.09050	3.0
203.14291	1.2
212.09448	0.7
215.07069	1.7
228.04266	0.9
233.15434	0.8
243.06491	2.7
245.15450	2.0
255.11324	1.3
257.04355	0.9
257.11972	0.8
263.16504	4.4
271.06082	1.6
274.04861	4.0
281.17542	2.5
299.05707	1.0
299.20013	1.1
302.04156	3.1
317.06595	47.6
317.14215	1.1
317.19556	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	317.0657
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.01874	0.5
55.05510	0.6
65.03931	0.7
67.05484	0.9
67.61916	0.3
69.03425	0.6
69.07048	0.3
79.05450	0.6
81.03427	0.7
81.07045	0.4
90.23135	0.3
91.05466	1.0
93.03374	0.6
93.07041	0.6
94.31605	0.4
95.04984	1.7
95.08573	0.5
99.21088	0.4
105.07014	0.6
105.18953	0.4
107.04955	0.4
107.08587	0.4
109.02848	0.5
109.10148	0.8
111.04451	0.3
116.26873	0.3
117.07021	0.4
119.08582	0.6
121.02884	1.7
121.10176	0.7
123.00755	0.5
123.04423	5.1
124.01559	2.1
125.02366	1.0
131.04950	0.6
133.10121	0.6
134.03606	0.4
135.04454	0.6
137.02353	4.9
141.05492	0.6
145.02820	0.7
145.06516	0.4
149.02374	0.7
149.09509	0.5
151.03920	1.2
151.11136	0.4
155.04904	0.8
163.03917	1.1
167.03407	8.7
169.06400	0.4
177.09213	0.4
179.03383	2.7
180.04114	0.5
183.04454	0.4
187.07603	0.9
193.05061	0.4
196.31073	0.4
197.04494	1.4
200.04706	1.4
201.05431	0.6
209.04485	0.4
209.78108	0.4
211.03865	0.4
215.07007	2.4
228.04184	1.9
233.08141	0.6
243.06555	7.3
256.03754	1.1
257.04507	1.2
261.07651	0.9
271.06049	3.4
273.03766	0.6
274.04758	7.0
274.07596	0.7
288.06253	1.3
299.05481	0.8
302.00925	0.6
302.04221	4.2
317.06561	100.0
317.21045	0.9
318.07034	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0657
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
54.09090	0.1
55.01863	0.3
57.03433	0.1
65.03944	0.7
67.01860	0.3
67.05494	0.4
68.99783	0.3
69.03411	0.2
70.04862	0.5
70.05214	0.2
79.05487	0.2
81.03415	0.5
81.07048	0.1
91.05529	0.1
93.03416	0.9
95.04974	1.4
95.08647	0.2
105.03381	0.2
109.02870	0.4
110.03653	0.1
111.04441	0.3
121.02859	1.8
123.00787	0.5
123.04436	5.7
123.05334	0.3
124.01569	2.0
124.05257	0.1
125.02368	1.1
128.06244	0.1
129.07027	0.2
131.08572	0.2
133.10149	0.2
133.58319	0.1
134.03700	0.6
135.04390	0.5
137.02359	5.2
137.03426	0.6
139.03918	0.3
141.05458	0.6
144.05731	0.2
145.02853	0.4
145.10176	0.1
147.04408	0.1
149.02390	0.7
150.03119	0.5
151.03917	1.8
153.01808	0.2
155.02319	0.2
155.04922	0.7
159.08047	0.3
163.03931	1.0
167.03412	7.8
168.05621	0.1
169.06480	0.2
172.05156	0.2
179.03395	3.2
180.04158	0.5
181.64522	0.1
183.04436	0.5
184.05188	0.3
187.03970	0.2
187.07561	0.6
191.03418	0.2
191.07098	0.2
193.04971	0.3
194.82039	0.1
197.04439	1.2
197.05997	0.2
200.04700	1.4
201.05542	0.3
205.08655	0.2
207.02896	0.2
209.04483	0.5
211.03992	0.2
213.05470	0.2
215.07047	2.8
218.05959	0.2
219.02843	0.4
219.06471	0.2
221.04289	0.2
224.86998	0.1
225.05463	0.2
228.04185	1.8
229.05022	0.3
233.08101	0.4
239.03410	0.1
242.05835	0.5
243.06548	7.1
244.06981	0.2
246.05289	0.2
253.04999	0.2
256.03717	0.8
257.04453	1.1
261.07581	0.8
271.06003	3.7
273.03940	1.0
274.04739	7.3
288.06247	1.1
289.06952	0.2
299.05554	1.6
302.04193	4.0
317.06564	100.0
318.06955	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	317.0656
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
55.01860	0.2
60.31120	0.2
65.03945	0.4
67.01866	0.3
67.05503	0.2
70.21183	0.6
80.02657	0.2
81.03448	0.3
84.53886	0.2
93.03403	0.6
95.04972	1.3
98.21446	0.2
105.03384	0.2
107.05000	0.1
108.04113	0.1
109.02850	0.4
110.03672	0.2
111.04427	0.3
121.02877	1.7
123.00808	0.5
123.04430	5.3
124.01579	1.7
125.02374	0.9
134.03654	0.7
135.04411	0.4
137.02353	5.7
137.03409	0.5
138.14729	0.2
139.03931	0.3
141.05461	0.6
144.05707	0.3
145.02846	0.4
149.02386	0.7
150.03113	0.4
151.03909	1.8
155.04926	0.6
159.08083	0.4
161.02345	0.2
163.03949	0.9
167.03407	8.6
169.06494	0.3
172.05170	0.3
173.06091	0.2
179.03397	2.5
180.04218	0.7
183.04434	0.4
184.05212	0.4
187.03966	0.3
187.07530	1.0
189.36194	0.1
193.04938	0.2
197.04454	1.3
197.05989	0.2
200.04720	1.3
205.08539	0.2
209.04456	0.4
211.03931	0.3
213.05467	0.3
215.07037	2.6
218.05775	0.2
219.02914	0.2
221.04404	0.2
228.04182	1.8
229.05023	0.2
233.08134	0.3
242.05684	0.2
243.06541	7.0
244.07031	0.2
246.05246	0.2
248.72594	0.2
253.05058	0.2
256.03729	0.8
257.04456	1.0
259.05923	0.2
261.07596	0.9
271.06006	3.4
273.03860	0.9
274.04739	6.8
284.03271	0.2
288.06329	0.9
299.05499	1.4
302.04214	4.3
302.07550	0.2
317.06561	100.0
318.06888	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	317.0295
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
51.86678	0.4
64.88255	0.4
70.99457	0.9
71.04936	0.4
75.52524	0.4
77.34729	0.4
79.05445	0.5
81.03352	0.7
81.07015	0.6
83.04933	0.5
86.09649	0.7
91.05426	0.8
93.06985	0.6
103.05413	0.6
105.07007	0.6
107.08564	0.7
109.10120	0.5
123.04365	0.7
130.06517	0.5
131.04881	0.5
134.03639	0.4
135.08020	0.6
149.09573	0.6
153.01839	2.0
154.02150	0.9
155.02219	1.3
159.04503	0.5
161.05890	0.5
162.03067	1.0
165.07332	0.4
171.53017	0.5
173.02277	0.8
174.03084	1.0
187.03847	1.2
189.01770	0.7
190.02634	3.3
201.01749	1.4
202.02557	0.7
211.12253	0.7
215.03331	2.1
217.04919	0.8
218.02135	3.6
219.71541	0.4
225.01718	1.3
228.00540	1.6
229.01286	0.6
243.02950	4.6
245.04547	0.6
246.01624	10.6
256.00055	0.8
257.00842	5.4
258.01483	1.1
271.02390	3.9
273.03928	1.4
274.01144	0.7
283.99457	0.5
285.00302	3.0
285.12360	4.1
286.01193	0.6
289.03455	1.3
299.01947	4.4
299.13864	0.7
302.00592	65.8
303.00983	1.3
317.02948	100.0
317.14621	2.5
318.03247	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03957	0.8
55.01877	0.6
55.05516	5.5
55.96916	0.4
56.05042	4.3
57.03431	0.8
57.07076	1.4
58.02971	0.7
60.04529	100.0
62.93816	0.4
65.03964	0.5
67.05510	9.0
68.05041	0.5
69.07072	5.3
69.80808	0.4
70.06607	0.9
70.76640	0.6
70.76983	0.8
71.08640	1.1
72.04524	2.2
73.02887	0.4
74.06084	2.5
79.05502	3.7
80.05012	1.0
81.07059	8.1
82.06583	1.7
83.08631	3.4
84.08176	0.5
85.10216	0.6
86.06065	0.7
87.04474	1.0
88.04045	0.4
90.05578	1.7
91.05480	2.5
93.07033	3.7
94.06580	0.8
95.05002	1.0
95.08617	7.1
96.08148	0.5
97.10186	2.4
100.07645	0.6
105.07057	1.9
107.08589	1.9
108.08130	0.7
109.10154	3.6
111.08085	0.5
111.11718	0.4
112.07581	0.9
119.08594	1.9
121.10201	1.8
123.11744	1.5
133.10156	1.3
135.11758	1.3
137.09616	0.5
137.13278	0.5
245.22850	0.4
250.25317	1.2
256.26538	0.4
262.25369	2.1
268.26395	1.1
280.23309	0.7
280.26379	13.7
298.27390	12.8
316.28473	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	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09804	0.7
53.16092	0.8
55.05515	1.1
55.95550	0.9
69.03431	1.4
69.92359	3.0
76.50061	0.8
77.51557	0.9
77.82994	0.7
78.02025	0.7
79.01867	1.2
81.03416	1.7
81.07056	1.7
85.02903	1.6
86.09705	0.9
98.09702	0.9
104.27868	0.8
109.02859	1.8
109.06541	1.7
117.58031	0.8
126.09180	1.9
127.03947	1.2
128.04214	1.3
139.06331	1.0
153.01839	14.4
153.02995	1.6
154.02185	16.0
154.03320	1.5
154.08644	100.0
233.92697	0.7
236.25970	0.9
263.42090	0.8
298.06372	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
54.92894	0.4
57.03436	0.9
61.02923	1.1
61.59725	0.4
67.05495	0.6
69.03436	5.1
69.24032	2.1
69.24457	2.0
70.06594	1.3
72.08138	0.5
73.02907	0.6
79.01870	0.6
79.05494	1.0
81.03428	2.5
81.05811	0.5
81.07084	2.8
82.03743	1.1
82.06568	1.4
83.01368	0.5
85.02435	0.8
85.02913	9.5
86.03233	0.6
86.09709	3.1
87.04469	0.9
91.05497	3.1
93.05820	1.1
93.07047	1.8
94.06553	0.9
95.04982	0.7
95.08580	0.4
96.08129	6.5
97.02901	4.1
99.04456	0.7
106.06575	0.6
107.04997	0.5
108.08129	19.4
108.40542	0.5
109.02898	2.0
109.06527	1.1
110.03223	1.0
110.06079	2.1
116.07106	1.0
118.06593	0.6
119.21985	0.4
119.56526	0.5
123.06810	1.5
124.07606	22.8
126.09141	0.9
127.03932	2.8
128.04254	0.5
130.06581	0.8
136.07600	16.7
137.05975	1.9
138.09113	0.7
141.92274	0.5
143.03430	0.7
144.03740	0.5
145.04974	1.1
148.07541	0.4
150.09117	0.5
150.84071	0.4
151.65608	0.5
153.01862	10.2
153.02965	0.5
154.02180	10.6
154.08647	100.0
155.08966	1.1
166.08652	2.1
173.12924	0.7
196.09694	0.8
298.06253	0.8
316.14154	1.7
317.12277	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0713
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02368	0.4
52.80024	0.3
53.03954	0.5
55.01868	0.7
57.03442	0.6
59.74104	0.2
63.78029	0.2
69.03429	1.2
69.84702	1.2
71.04981	1.1
73.02917	0.5
76.91169	0.2
79.01859	3.7
79.73628	0.2
80.99390	0.3
81.03420	2.9
85.02902	1.3
86.01206	0.3
97.02901	5.6
98.97601	0.5
99.04463	5.3
107.01331	2.1
109.02894	3.1
125.02348	3.8
127.03916	5.8
141.15041	0.2
143.03403	5.4
145.04945	1.4
153.01836	100.0
153.02876	5.0
154.02187	0.5
162.13716	0.3
171.02885	7.6
293.81067	0.3
297.06100	0.7
304.61722	0.3
315.07178	3.4
315.10620	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Norbergenin
Peak:m/z	Relative Intensity
55.01871	0.7
61.02937	0.6
61.28033	0.3
69.03434	10.2
71.05030	0.4
71.43435	0.5
71.49838	0.3
72.31020	0.3
75.91475	0.3
79.01859	4.4
81.03422	0.8
83.14536	0.3
85.02924	1.0
97.02907	2.4
97.56104	0.4
99.04438	0.7
107.01315	1.4
109.02878	1.0
125.02346	3.0
127.03920	4.6
143.03404	5.6
147.04443	0.4
153.01837	100.0
153.02895	5.7
154.02115	0.6
159.04424	0.6
163.03867	0.8
171.02898	1.6
179.03407	0.7
191.03412	1.6
195.02873	0.4
205.05049	0.5
207.02908	0.6
220.51949	0.4
229.53748	0.4
233.04465	0.7
233.21866	0.4
237.03986	1.3
297.06082	1.2
315.07187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0711
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02385	0.5
53.03947	1.5
53.84423	0.3
55.01865	0.3
57.03446	0.7
61.02925	0.5
69.03439	4.0
69.35620	2.7
71.05013	0.4
78.63413	0.3
79.01863	4.4
79.03477	0.3
81.03426	9.6
85.02911	5.2
97.02892	3.2
98.20813	0.7
99.04460	1.0
99.82634	0.3
107.01318	2.4
109.02896	6.2
125.02364	4.3
127.03094	0.5
127.03939	5.1
143.03409	4.7
153.01843	100.0
153.02892	5.4
154.02225	0.5
167.71088	0.3
171.02905	4.9
171.04254	0.5
233.99699	0.4
240.72415	0.3
255.05136	0.3
266.48807	0.3
294.88010	0.3
297.06079	4.6
300.06329	1.3
315.08264	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
53.03952	0.6
57.03438	0.7
69.03432	6.8
70.82941	0.7
70.83293	0.4
76.60424	0.3
79.01862	4.9
81.03419	4.6
84.43980	0.3
85.02912	3.6
87.00827	0.3
97.02889	2.1
99.04476	0.6
101.01705	0.3
104.34181	0.3
107.01322	2.2
109.02879	3.1
125.02362	3.4
127.03098	0.5
127.03934	5.4
143.03427	5.4
145.49930	0.3
153.01840	100.0
153.02895	5.7
154.02209	0.3
171.02901	4.2
179.03328	0.4
191.03419	0.9
233.04536	0.5
237.03989	0.8
241.16914	0.3
253.64763	0.3
262.66531	0.3
297.06088	2.2
315.07114	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0712
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02385	0.7
53.03941	1.2
55.01875	0.5
57.03431	0.8
69.03435	5.4
70.75311	0.4
70.75658	0.6
71.01362	0.3
71.04993	0.5
79.01859	5.2
79.05497	0.3
81.03424	9.9
85.02919	4.3
97.02892	3.2
99.04465	0.8
107.01340	2.6
109.02895	6.0
121.02924	0.5
123.00817	0.3
125.02350	4.2
127.03933	5.4
143.03403	5.3
153.01845	100.0
153.02902	5.8
154.02194	0.5
171.02933	4.4
191.03261	0.3
193.01390	0.3
297.06100	5.2
315.07196	1.2
315.14301	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61027	0.8
69.03431	1.3
69.81630	0.9
69.88055	3.0
69.88453	1.7
79.01865	4.9
81.03399	2.3
85.02922	2.4
97.02905	8.8
99.04576	0.9
107.01265	1.4
109.02876	2.3
118.19600	1.0
125.02377	2.9
127.03909	2.0
143.03381	4.4
148.32869	0.9
151.64403	1.1
153.01843	100.0
153.02936	7.4
159.04381	2.2
163.03964	1.5
171.02808	1.5
191.03458	1.5
205.05016	3.4
207.02922	3.1
221.04466	1.9
233.04535	5.5
237.03992	1.2
261.03976	1.9
297.06091	2.4
320.91068	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.79039	0.3
56.96570	2.6
57.03448	0.7
61.01158	0.9
61.02945	0.4
62.51234	0.3
67.05499	0.6
69.03429	3.7
70.06597	1.0
70.23563	1.1
70.83812	0.3
71.04996	0.4
73.02930	0.8
79.01866	0.3
81.03416	0.9
84.08160	0.5
85.02910	2.8
86.99081	0.4
87.04483	0.7
97.02899	47.9
98.97598	4.9
99.04467	0.4
106.06538	0.5
108.08126	15.7
109.02886	0.5
110.97609	0.6
112.07596	0.3
115.02187	0.3
116.98655	1.8
119.03519	1.0
123.06811	1.0
124.07616	2.7
124.99193	0.3
125.02356	0.4
127.03939	0.5
128.98610	0.5
134.06053	1.8
134.09705	0.4
135.05450	0.5
136.06197	100.0
136.07457	3.4
137.08388	0.3
137.40367	0.3
143.01689	2.7
143.03358	0.4
145.04938	0.4
148.06172	1.4
152.07065	10.1
152.10703	1.5
153.00717	0.6
153.01854	5.8
155.01889	0.3
157.03542	0.4
158.99683	0.6
161.02740	1.3
162.07767	0.7
164.05693	5.6
169.01776	0.4
170.99680	0.4
173.03000	0.4
176.05728	0.4
178.07248	2.6
179.03737	2.2
186.04459	0.5
190.07304	0.3
194.99673	0.6
213.00659	0.9
219.01868	0.4
231.01797	0.4
237.02974	0.4
248.07802	1.0
248.99191	0.4
250.09399	0.5
273.02789	0.8
278.07211	0.5
291.03867	1.3
296.08072	3.7
296.11087	0.4
314.09097	7.5
314.12381	11.7
314.16061	0.6
315.07477	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.5
57.03442	20.7
57.07079	63.3
67.05508	12.0
69.07068	9.9
70.36376	0.6
71.04988	0.8
71.08636	43.4
77.16423	0.6
79.05495	1.7
81.07058	17.4
83.08627	14.6
85.10187	20.5
86.41106	0.6
87.12624	0.6
87.61018	0.6
89.06022	2.7
93.07038	1.3
95.08612	23.8
97.06521	0.9
97.10176	6.3
98.20741	1.7
99.98517	0.6
103.07572	3.0
107.08653	0.7
109.10167	9.4
111.11711	2.6
121.10156	1.0
123.04398	1.3
123.11736	4.9
137.13213	2.6
151.14828	1.3
172.29877	0.7
214.29750	0.8
221.22792	0.7
239.23627	4.2
240.70088	0.6
257.24774	8.3
313.27380	100.0
314.27878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68652	0.6
55.05518	8.4
57.03445	21.2
57.07082	63.0
59.46294	0.7
59.59372	0.5
63.13079	0.7
67.05511	11.4
69.07077	11.0
69.16452	3.0
69.16878	3.5
71.04987	0.8
71.08637	40.5
75.04464	0.8
79.05492	1.5
81.07063	18.3
83.08147	1.1
83.08627	13.4
85.10192	21.2
89.06043	4.1
95.08616	25.4
97.06503	0.8
97.10182	6.8
99.11713	1.7
103.07589	3.1
109.09399	0.7
109.10164	11.9
111.08042	0.6
111.11739	1.4
117.09150	1.4
123.11710	5.1
125.13302	1.0
137.13275	1.9
149.05995	1.2
151.14821	0.8
159.13824	0.8
160.44879	0.6
165.16435	0.6
169.98744	0.5
175.96237	0.7
221.22459	0.7
239.23769	4.2
257.24799	7.0
313.27399	100.0
314.27716	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05268	1.0
55.05513	9.5
57.03442	18.9
57.07079	58.9
58.07403	0.6
67.05185	0.8
67.05508	10.9
69.07066	9.1
70.90192	1.2
70.90533	0.9
71.08633	38.6
71.26243	0.6
75.04496	0.9
79.05494	0.8
81.07059	15.5
83.04994	0.7
83.08622	12.8
85.06528	0.7
85.10185	21.8
89.06039	3.3
93.07017	1.0
95.08607	22.3
97.10173	6.3
99.11730	1.5
99.19196	0.7
103.07567	2.6
109.10171	10.0
111.11720	1.4
117.09116	0.7
123.11722	4.5
137.13248	1.8
151.14793	1.1
208.04402	0.7
239.23677	4.3
240.83691	0.8
257.24710	6.0
259.46811	0.9
306.53091	0.6
313.27371	100.0
314.27765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36509	0.9
55.05515	9.0
57.03442	22.8
57.07080	62.8
67.05505	13.0
69.07071	10.6
70.81768	2.5
71.05022	1.3
71.08636	39.3
81.07060	15.1
83.08624	13.4
85.09726	1.6
85.10192	21.1
89.06030	3.8
93.07023	2.3
95.08612	27.6
97.10163	6.7
103.07578	2.5
107.08574	1.7
109.10168	11.5
111.11761	1.9
116.00500	1.1
123.11714	5.5
137.13243	1.8
137.43304	0.9
147.42685	0.9
229.57463	0.8
239.23822	4.8
245.68872	0.9
257.24771	6.1
313.27377	100.0
314.27704	1.5
322.75354	0.9
326.33069	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2163
Annotation	Longithorone K
Peak:m/z	Relative Intensity
53.03932	4.3
55.01845	1.3
55.05519	12.1
57.03425	3.5
57.06839	1.1
57.07083	13.7
65.03951	2.4
67.05510	31.5
69.03445	1.2
69.07078	9.2
70.00730	3.9
71.08646	6.8
77.03946	1.4
79.05494	27.3
81.07060	21.7
83.05007	1.2
83.08620	8.1
85.10179	4.7
89.10484	1.0
91.05489	34.2
91.12720	1.0
93.07058	31.2
95.04967	5.2
95.08617	18.8
97.10177	4.1
103.05463	6.1
105.04530	2.0
105.07037	16.9
107.04971	2.8
107.08605	10.4
109.06507	3.6
109.10144	6.0
111.04347	1.2
115.05464	6.7
117.07024	7.7
119.08593	6.3
121.06532	2.0
121.10146	9.5
123.04434	44.7
123.11692	1.0
128.06239	6.4
129.07008	15.7
131.04953	8.0
131.08586	5.8
133.06458	4.8
133.10146	3.8
135.08038	2.0
135.11668	4.0
137.05984	44.8
141.06990	9.4
142.05142	1.1
142.07777	1.6
143.04919	4.1
143.08569	5.2
144.05696	1.1
145.06502	16.7
145.10109	2.3
147.04411	3.6
147.08087	3.6
149.05991	21.8
149.13232	2.5
151.07622	2.6
153.06966	1.9
154.07764	1.2
155.06088	1.1
155.08537	5.1
157.06502	24.2
157.10106	4.1
159.08080	6.8
159.11661	1.4
160.05168	1.7
161.05991	23.9
161.09631	1.3
163.07547	26.9
163.08809	2.0
165.06926	2.0
167.08606	1.6
169.06485	3.3
169.10120	3.3
171.08057	11.9
171.11755	2.4
173.05995	41.9
173.09633	3.5
174.06653	1.9
175.07567	19.7
177.09114	8.4
179.08548	1.4
181.10201	1.6
183.08067	12.0
183.11691	1.4
185.09688	5.9
185.13255	1.5
187.07562	15.0
187.11186	1.9
189.09113	9.6
191.10681	2.0
196.66805	1.2
197.09637	10.7
197.13133	1.4
199.11121	1.9
201.09119	10.0
203.10655	7.7
211.11194	3.1
215.10678	4.2
217.12187	2.6
229.12102	1.4
229.15887	1.5
231.13760	2.5
233.15388	2.2
247.17036	5.2
257.15378	1.2
257.24875	1.5
295.20560	10.6
313.21631	100.0
313.27118	15.3
313.33002	3.8
314.21921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.6
55.01870	13.9
55.05267	3.9
55.05513	45.1
57.03443	37.9
65.23235	2.6
66.57932	2.5
67.05506	30.6
68.99789	4.3
69.03432	75.6
69.07066	31.3
69.62071	15.1
70.06605	2.6
70.56449	2.5
71.05001	31.2
76.92648	2.4
79.05502	29.7
81.03422	67.9
81.07066	41.6
82.04215	24.0
82.21508	2.2
83.04991	46.8
83.08620	18.5
83.69376	2.5
85.02908	39.1
85.06554	4.7
87.00827	9.7
91.05488	30.0
93.07043	43.4
95.04970	16.6
95.08610	41.9
97.02902	30.5
97.06531	16.4
98.20793	5.6
98.71813	2.7
99.04462	7.6
99.08106	5.3
103.05457	4.4
105.07036	19.5
107.04954	8.1
107.08585	14.7
109.02867	4.2
109.06539	14.5
109.10158	5.7
111.04458	20.8
111.08087	100.0
113.09635	12.8
115.03913	5.7
115.05430	3.6
117.07041	13.2
119.04931	5.0
119.08562	8.4
121.06483	10.0
121.10143	4.2
123.04425	5.6
123.08054	25.5
125.02345	3.2
127.03860	3.5
127.07534	14.3
129.07022	2.8
131.08537	3.0
133.06418	4.6
133.10136	5.8
135.08060	32.9
137.06006	7.5
137.09618	6.5
137.48766	2.6
139.07547	98.0
141.09103	61.8
145.06413	2.4
145.10115	6.3
147.08055	6.2
149.05997	3.0
149.09618	6.5
151.03926	7.2
151.07555	54.4
153.09108	5.8
161.09625	5.5
163.11176	7.1
165.09119	9.7
167.10646	3.3
173.09625	7.6
179.10583	4.5
181.12312	3.0
189.09117	8.4
191.10654	21.2
207.10188	7.2
209.11754	86.8
226.80812	3.1
227.12817	3.3
238.64888	2.4
277.43741	2.7
295.11768	80.1
313.07507	4.3
313.13388	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	313.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	46.3
57.03432	18.9
61.02916	12.7
69.03416	26.4
69.50761	15.0
69.51171	25.3
70.06575	6.9
70.15271	5.9
72.08166	9.6
72.73397	5.6
73.02921	11.0
81.03409	16.1
83.46729	6.2
84.08133	17.0
84.96041	5.8
85.02908	43.8
85.82365	5.8
87.04530	6.2
97.02900	41.4
98.21549	10.2
98.97594	100.0
100.87965	5.8
101.00909	11.5
108.08107	22.0
109.02874	9.4
110.97565	21.5
112.11242	9.1
113.03477	12.6
115.02470	8.4
116.98606	22.4
119.01883	12.1
127.03925	11.4
128.98621	11.5
131.01909	12.0
140.98552	6.1
143.01909	11.2
145.03474	10.9
146.99594	7.7
147.05020	8.8
150.09059	7.4
150.97031	11.6
152.07040	21.4
153.01851	26.4
155.01865	14.4
158.99670	17.4
160.05890	7.3
161.02931	9.6
168.98077	16.4
168.99367	7.1
170.99660	7.6
172.94420	9.4
173.02988	11.4
175.03116	7.9
181.09669	6.3
185.02921	10.7
186.99028	10.2
189.00676	6.8
190.95386	6.5
194.05145	6.8
201.00681	12.4
203.04060	8.1
211.00877	8.3
214.95374	6.2
217.98767	7.3
219.01909	28.9
231.00117	10.3
232.96423	11.2
236.00049	6.5
237.02855	14.9
253.01930	10.0
270.99496	6.9
271.02924	6.5
289.94952	7.5
295.06976	11.5
313.03204	91.0
313.06912	8.7
314.12320	13.0
331.07294	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	312.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25510	0.7
53.03937	3.0
55.01868	1.9
55.05270	0.9
55.05513	12.3
57.03441	6.2
57.07077	3.9
65.03936	2.5
67.05508	68.8
69.03433	3.9
69.06783	0.7
69.07076	8.1
70.06578	3.4
70.07420	0.9
70.92299	2.1
71.04990	5.1
71.08647	1.0
74.02441	11.9
79.05498	25.9
81.03416	2.0
81.07059	49.4
83.04987	2.9
83.08624	2.3
84.08184	0.9
85.06581	1.9
88.03994	15.1
91.05484	18.9
92.05796	1.5
93.07047	29.1
95.04970	9.0
95.08611	100.0
96.08941	0.9
97.02868	1.6
103.05452	0.9
105.04495	1.0
105.07034	18.6
107.08594	11.6
109.02853	1.0
109.06528	3.9
109.10159	51.3
116.03481	8.1
117.07031	2.3
119.08588	27.5
121.02860	1.2
121.10143	8.4
122.10492	1.2
123.08058	6.1
123.11716	2.0
131.08517	1.3
133.10144	7.6
134.04495	30.8
135.11699	8.3
137.09605	11.1
137.13268	1.4
149.13348	1.0
150.09976	1.1
151.03908	2.4
151.14818	26.1
153.01886	1.1
153.86665	0.7
161.13268	8.9
168.06592	0.9
179.14316	18.7
180.02870	0.9
214.05400	1.2
238.43979	0.8
242.10165	0.9
249.06404	0.8
252.10902	1.0
266.17484	0.8
294.08447	0.9
294.16968	0.9
312.09875	1.2
312.18030	9.7
312.21591	2.0
313.07065	1.6
313.10428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05433	1.2
55.05668	0.8
61.96242	0.5
67.05430	1.1
69.06995	1.3
69.43425	3.3
70.02878	1.1
79.05393	2.7
80.04949	1.1
81.06950	1.4
82.06471	0.5
86.02351	0.7
88.03880	3.4
89.46547	0.5
91.05356	1.5
91.05886	0.5
93.06929	5.0
94.06472	1.5
94.07030	0.5
94.79800	0.4
95.05880	0.4
95.08501	1.6
96.08051	0.7
98.09708	0.4
100.03881	1.3
105.06913	1.7
107.07340	0.4
107.08605	3.8
108.08127	21.3
108.08783	1.5
109.08810	1.1
109.10049	0.9
110.09590	2.0
116.03360	0.6
117.06958	0.4
118.75172	0.4
119.08479	1.6
120.08040	0.7
121.10078	0.6
122.09679	11.5
123.10343	1.5
124.03826	0.5
128.03391	0.6
133.04913	0.5
133.10016	1.5
134.09560	1.2
135.11702	5.3
136.11227	4.3
137.09523	0.8
137.13194	0.4
138.05412	0.5
139.05676	0.9
140.07005	0.6
146.04431	0.8
148.11111	0.6
150.12790	24.4
150.13991	1.2
151.13579	9.6
152.14308	0.7
154.08583	0.5
161.13153	0.6
162.12730	1.0
164.14279	0.9
165.07800	0.5
166.08522	1.1
166.12286	0.6
168.06520	0.9
168.10117	0.4
173.13222	0.9
178.15833	1.4
179.09337	0.5
179.14233	0.7
180.10188	1.2
180.13895	0.7
190.12213	0.5
194.11723	1.5
196.05989	1.9
198.35634	0.5
200.09081	0.5
208.13284	2.6
214.07222	0.5
214.10811	1.1
222.14983	2.5
224.09175	1.1
225.13158	0.5
225.91295	0.5
238.10695	1.9
250.14357	1.4
266.13873	1.3
268.15454	100.0
269.15939	1.1
270.16995	3.5
312.18124	55.9
313.18329	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
50.64926	0.8
53.03954	1.5
55.01875	2.2
55.05515	63.3
57.03164	1.4
57.03441	24.0
57.07080	27.7
64.35708	0.7
67.05511	10.0
69.07072	68.1
70.63438	1.4
70.63757	1.3
71.08636	15.4
73.02889	2.3
79.05489	5.6
81.07063	12.2
83.04962	1.6
83.08622	49.5
85.10185	7.0
93.07042	7.3
95.08624	8.3
97.06532	5.7
97.10178	40.0
99.77968	0.7
107.08623	5.5
107.72793	0.8
109.10153	3.3
110.72030	0.8
111.08085	2.7
111.11724	12.7
121.10163	7.0
121.10954	1.1
123.11687	2.6
125.09624	1.7
125.13275	3.0
135.11678	5.8
137.13304	1.1
138.69894	0.9
139.11281	0.9
149.13297	2.6
153.12776	0.9
163.14859	1.7
174.89096	0.8
179.36160	0.8
209.11722	1.3
219.21095	2.4
237.22015	1.2
311.25815	100.0
312.13855	0.8
312.26157	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01873	2.1
55.05515	59.5
57.03443	24.8
57.07080	30.6
58.23278	0.8
59.04980	0.9
67.05505	10.6
69.07073	70.3
71.08638	18.8
73.02893	2.4
79.05497	5.0
81.07063	12.9
83.04977	2.2
83.08624	60.0
85.10196	6.7
91.05488	2.2
93.07056	8.2
95.08615	8.9
97.06548	6.5
97.10180	40.5
97.10726	0.8
107.08614	4.8
108.68533	0.9
109.10159	3.9
111.04451	0.9
111.08057	2.7
111.11724	12.4
119.82042	0.9
121.10149	8.9
123.11706	3.0
125.09650	2.1
125.13247	3.6
129.34135	0.8
135.11705	4.7
139.11185	1.9
148.16769	0.9
149.13271	2.9
153.12788	1.3
163.07503	0.9
163.14813	1.7
167.14284	1.0
191.10651	0.9
209.11761	2.9
219.21033	1.9
237.11235	3.3
237.22279	1.0
250.26170	0.9
311.25833	100.0
312.26227	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	311.237
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
53.03930	5.3
55.01864	5.1
55.05275	3.3
55.05511	46.1
55.05916	2.2
57.03440	11.6
57.07080	19.1
63.33862	2.3
65.03925	3.2
67.05503	49.5
69.07071	73.7
71.04967	4.2
71.08625	10.2
72.08160	2.7
73.04872	2.3
77.03899	2.3
79.05493	27.6
80.41361	2.0
81.03413	3.9
81.07056	48.8
83.04965	5.2
83.08617	37.6
85.10149	3.1
91.05479	41.7
93.07043	100.0
95.04967	57.7
95.08608	88.8
97.06528	30.0
97.10175	24.9
103.05460	3.8
105.07029	58.6
107.04942	3.5
107.08598	53.9
109.06518	13.3
109.10157	37.0
109.31815	2.3
111.04429	3.2
111.11693	5.8
115.05434	6.0
117.07011	16.6
119.08585	70.8
121.06487	17.5
121.10137	54.8
123.08097	17.3
123.11709	21.9
125.13169	3.1
128.06261	4.7
129.07001	6.6
130.07816	6.0
131.08563	24.4
133.10133	38.0
135.04416	10.3
135.08067	12.2
135.11682	19.4
137.09590	6.7
137.13266	5.7
139.83968	2.2
142.07744	10.9
143.08575	17.8
144.09389	3.7
145.10130	37.3
147.11682	20.2
149.09616	4.9
149.13234	7.9
155.08554	4.8
156.09367	5.1
157.10141	35.3
159.08046	4.5
159.11696	53.9
161.09616	13.9
161.13272	12.1
163.11205	4.4
169.10088	11.9
171.11668	18.8
173.09607	3.8
173.13223	14.5
175.14783	9.3
177.16377	21.4
181.10112	6.9
183.11699	7.0
185.13251	12.7
187.11133	3.9
187.14796	7.5
189.12784	2.4
189.16370	17.6
193.10146	4.9
195.11710	5.3
197.13232	10.7
199.14804	9.9
201.16493	11.6
203.17944	8.1
207.98032	2.2
209.11710	15.6
209.13364	3.8
211.14806	10.4
213.16446	4.9
215.17953	7.6
218.98431	2.3
219.17426	3.6
223.14720	5.6
237.11201	15.3
237.16310	7.1
239.18146	2.2
241.19576	3.6
255.17514	3.5
255.21104	6.8
267.21097	4.6
293.22620	7.8
311.16385	3.5
311.23563	32.1
311.26099	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	311.1279
Annotation	Porphyrin
Peak:m/z	Relative Intensity
53.03925	1.9
55.01870	2.0
55.05478	2.2
55.31417	1.3
65.03910	1.7
67.05493	4.2
69.03408	5.2
69.07065	1.9
69.31599	1.3
70.06573	3.2
70.61006	1.5
71.50294	2.2
77.03936	2.0
79.05501	11.9
81.03410	3.4
81.07045	6.6
83.04971	1.5
85.02927	2.4
91.05473	10.0
92.05791	1.7
93.07036	10.7
94.04183	4.6
95.08593	2.0
103.05462	3.4
105.03336	2.0
105.07039	17.7
107.04935	4.2
107.08568	4.3
109.02866	2.0
109.06513	5.4
109.10149	2.0
115.05431	4.5
119.08533	2.7
121.06497	3.8
121.10130	7.2
122.03653	12.3
127.03922	2.0
128.06174	2.9
129.06964	5.4
131.04877	3.6
131.08583	2.3
133.02859	17.9
133.06497	8.1
134.85071	1.6
135.08020	1.5
137.05983	100.0
142.07864	1.5
144.05704	4.0
145.06461	2.9
147.08025	3.3
149.06018	7.2
149.09616	4.2
151.07527	1.9
155.04904	6.6
155.06024	2.5
159.08055	12.1
161.05986	21.8
161.09595	3.3
165.05582	2.3
165.06960	5.5
172.05208	3.1
175.07495	4.1
179.08542	3.3
187.07541	32.7
189.06956	6.8
189.09029	1.9
190.07771	29.9
191.08572	56.1
191.10338	1.8
201.07013	1.8
202.07744	2.1
205.06471	4.1
207.08105	7.3
208.08881	9.1
218.07280	17.2
219.08063	71.2
220.08801	7.3
221.05939	2.1
221.09720	2.4
223.11229	2.4
229.07358	1.7
233.09567	3.6
235.07649	7.8
236.08357	16.0
237.09056	3.8
246.06726	1.9
247.07552	26.8
248.08334	2.5
251.10683	88.7
252.10771	1.9
253.08611	6.0
261.09140	5.3
263.07013	3.8
264.07858	7.2
265.08374	3.4
267.10242	2.1
268.10834	2.6
268.15503	1.8
278.09430	2.5
279.10172	71.7
280.10834	4.5
281.08200	8.2
293.11630	1.9
295.09601	1.5
296.10498	11.8
311.05521	2.3
311.12695	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	311.1279
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
53.03943	2.5
55.01875	2.8
55.05503	1.6
65.03943	1.6
66.04726	1.6
67.05483	3.5
69.03416	3.5
69.15725	10.4
69.16135	3.2
70.06597	1.5
71.04956	1.8
79.05492	9.3
81.03404	3.4
81.07061	6.4
85.02915	2.6
91.05492	8.3
93.07056	11.8
94.04167	5.4
95.04979	2.6
95.08595	2.7
97.02890	1.4
97.06532	1.3
98.39185	1.4
99.04461	1.5
103.05489	3.5
105.03391	2.3
105.06428	1.2
105.07039	17.7
106.10265	1.4
107.04942	4.7
107.08587	3.9
109.02821	1.7
109.06512	6.0
111.04439	1.6
115.05447	5.2
117.07008	1.5
117.77444	1.3
119.08586	3.7
121.06485	3.4
121.10162	9.7
121.10883	1.9
122.03664	13.3
123.04482	1.7
128.06226	1.9
129.06972	5.1
131.04927	4.4
131.08545	3.2
133.02856	17.5
133.06502	11.3
133.10147	1.9
136.08154	1.3
137.05984	100.0
144.05672	4.3
145.06480	2.6
147.08038	1.9
149.05988	8.6
149.09590	4.0
155.03688	1.4
155.04865	6.6
155.05995	2.9
157.06483	1.8
159.08122	10.1
159.53540	1.4
161.05992	26.3
161.09604	2.8
165.05453	3.7
165.06934	3.3
167.07045	1.9
167.08794	1.4
172.05196	3.7
172.83458	1.4
175.07552	3.3
177.06973	1.6
180.09337	2.1
187.07565	30.9
189.06987	9.4
189.08838	2.2
190.07777	23.8
190.30008	1.4
191.08566	50.5
191.10320	3.3
193.06525	1.8
201.06990	1.5
202.07684	3.3
203.08481	2.7
205.06514	3.1
207.08058	7.7
208.08844	6.3
218.07283	17.3
219.08080	67.0
220.08870	7.6
221.05946	2.6
221.09575	2.4
233.09554	3.9
235.07558	8.1
236.08304	12.5
237.09062	2.1
246.06720	1.9
247.07568	24.2
248.08272	5.1
249.08777	1.8
251.10690	83.5
252.11076	1.3
253.08586	6.3
261.09048	3.9
263.07108	1.7
264.07849	8.7
265.08502	4.4
279.10190	71.3
280.10797	6.2
281.08206	9.4
281.11188	2.4
283.09778	1.8
283.13104	2.3
293.11560	2.1
296.10449	10.6
309.11292	1.4
311.05276	3.3
311.12704	64.0
327.78003	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62040	0.4
55.01893	0.6
55.05518	2.0
57.03421	0.6
57.07054	0.5
67.05514	1.9
68.05043	0.5
68.28532	0.4
69.03441	0.5
69.06691	0.4
69.07072	8.8
69.26730	3.3
69.27137	0.6
70.06585	0.7
71.04968	1.3
71.08627	0.4
73.06546	1.8
79.05496	2.2
80.05006	0.9
81.07069	4.0
82.06557	0.6
83.08614	0.9
83.88862	0.4
85.02895	0.5
86.09725	3.0
91.05464	1.4
93.07044	3.9
94.06561	0.7
95.04897	0.6
95.08627	3.2
96.08138	0.7
97.06519	1.2
98.06030	1.0
98.09684	2.1
100.11237	0.5
105.07003	0.6
107.08606	2.2
108.08121	12.9
108.08872	0.8
109.02946	0.5
109.08932	0.9
109.10159	1.7
110.06054	0.6
110.09674	2.6
113.09624	0.6
115.07586	1.2
119.04931	0.6
119.08593	0.9
121.10147	1.5
122.09676	8.1
123.10455	1.6
123.11657	0.4
124.11230	1.1
133.10109	0.4
135.11702	2.4
136.11215	2.7
137.13219	0.9
138.12794	0.6
140.11598	0.4
148.04750	1.3
150.12784	17.6
151.13580	7.2
152.13187	0.6
152.14346	6.8
153.12692	0.9
153.15106	0.4
164.14403	0.5
166.12326	0.9
166.15903	3.7
174.83997	0.4
178.15875	0.7
179.14246	0.9
180.10284	1.0
180.13846	7.5
192.17398	2.0
194.11719	1.0
195.16032	0.4
198.14961	0.5
210.14896	1.5
211.42123	0.3
212.12831	0.5
212.16440	2.4
220.20621	2.9
222.14960	0.9
236.16539	2.6
238.21643	0.8
264.19629	1.1
266.21161	100.0
267.21567	1.7
268.22723	4.6
310.23764	65.9
311.24228	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39780	0.5
55.05492	2.1
55.66244	0.5
57.03418	0.8
57.07050	0.6
59.04980	0.7
63.73737	0.5
67.05504	2.7
68.05019	0.8
69.06739	0.6
69.07072	7.7
69.24252	2.5
69.24677	1.8
71.04996	0.5
71.08639	0.4
73.06555	2.3
79.05508	2.8
80.05003	1.1
80.05794	0.6
81.07066	3.0
82.07389	0.7
83.08598	1.3
85.40410	0.4
86.09730	3.1
88.04013	0.6
91.05467	2.0
92.05803	0.6
93.07038	4.2
94.06545	1.1
94.07368	0.8
95.08617	2.4
96.08103	0.9
97.06519	1.0
97.10188	0.5
98.09685	1.3
102.85832	0.6
105.07024	1.1
107.08572	2.3
108.08124	12.3
109.08911	0.7
109.10149	0.6
110.09643	1.8
112.03362	0.5
115.07558	1.6
119.08604	0.9
120.08148	0.8
120.08959	0.5
122.08854	0.7
122.09684	7.4
122.10499	1.1
123.10463	2.3
124.11210	0.6
131.08580	0.5
133.10118	1.5
135.11702	1.6
136.11208	2.3
137.13255	0.8
138.12778	0.6
150.12791	16.7
151.13580	7.0
152.14348	6.7
153.12819	0.6
164.14389	0.9
166.15878	0.6
178.15932	0.6
180.10193	0.9
192.17476	1.0
194.11801	3.5
202.28142	0.5
210.14915	2.1
212.12837	1.8
220.20627	3.0
222.14850	0.9
236.16493	1.9
238.18016	0.5
238.21629	1.0
264.19604	1.3
266.21173	100.0
267.21497	1.4
268.22464	0.6
269.31549	0.5
310.23788	68.8
311.24136	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
50.80503	1.7
53.03937	4.5
54.63480	1.9
55.01868	3.0
55.05264	2.6
55.05510	30.3
57.03430	4.6
57.06827	2.5
57.07077	30.5
59.04983	3.2
65.03945	2.3
67.05507	44.8
69.03407	4.3
69.07067	61.4
70.06590	2.4
71.04983	6.3
71.08636	20.8
71.51523	2.7
79.05491	30.4
81.03402	6.8
81.07060	100.0
83.04975	7.1
83.08623	29.7
85.02859	3.3
85.04519	1.8
85.06532	4.6
85.10171	8.2
85.69730	1.5
91.05484	18.0
93.06486	3.2
93.07047	44.4
94.32359	1.7
95.04990	11.9
95.08611	96.0
97.06525	8.8
97.10176	26.1
102.43079	2.0
105.07037	27.3
107.04939	3.2
107.08592	34.9
109.02901	2.1
109.06512	7.4
109.10164	50.3
111.08067	6.4
111.11720	12.3
117.07042	4.6
119.04911	6.2
119.08596	16.0
121.06470	3.5
121.10165	31.1
123.04430	7.6
123.08058	8.0
123.11711	28.0
123.13151	2.1
125.09608	5.3
125.13315	2.3
127.07578	1.9
133.10150	15.1
135.11700	20.6
137.05911	1.7
137.09622	6.5
137.13271	16.9
139.03873	2.2
139.11171	8.8
141.09048	2.3
143.08644	1.7
143.10698	2.3
145.10077	3.8
147.04399	21.2
147.07993	2.7
147.11702	18.2
148.62379	1.7
149.13261	18.4
151.11211	3.7
151.14786	5.9
153.12758	3.7
155.10629	5.0
157.12251	3.1
161.13266	9.6
163.11174	4.7
163.14816	10.9
165.12733	5.0
165.16423	3.3
175.14854	4.5
177.16383	3.6
189.16335	5.9
191.17926	4.8
203.17993	3.2
217.19568	3.7
221.09654	2.1
235.13318	4.9
249.09200	2.8
273.25757	16.5
277.08493	4.9
281.11798	4.3
291.19788	1.8
291.23813	2.8
291.26834	15.8
309.11124	5.0
309.16818	2.3
309.24695	2.7
309.27905	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	309.279
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03945	1.2
54.03773	0.5
55.01871	1.1
55.05515	18.7
57.03439	2.3
57.07081	4.9
59.04989	2.3
59.08436	0.5
67.05506	11.5
67.97937	0.6
69.03433	1.8
69.07071	100.0
70.07394	0.9
70.64587	1.2
71.04996	1.9
71.08633	1.6
73.06561	2.9
74.57696	0.5
79.05500	6.2
80.71999	0.5
81.07060	33.4
81.76807	0.4
83.05000	1.0
83.08619	10.1
85.02927	0.9
85.06552	5.2
85.10176	1.0
91.05463	2.8
93.07047	12.3
95.04948	0.6
95.08614	29.1
96.08975	0.5
97.06525	5.1
97.10163	4.3
98.98472	0.7
99.08093	4.7
105.07053	3.1
107.08604	12.2
109.02867	0.5
109.06554	1.1
109.10162	13.6
111.08099	5.5
111.11725	28.2
113.09682	0.6
116.56905	0.5
119.04953	1.1
119.08611	2.4
121.10152	9.7
123.08108	0.7
123.11707	13.2
124.12046	0.5
125.09649	1.7
127.03937	0.7
127.11227	0.8
129.12798	2.5
133.10155	1.9
135.08138	0.6
135.11699	6.1
137.09656	1.1
137.13269	5.1
139.10104	0.9
139.11186	15.3
147.04410	3.5
147.11705	1.8
149.13255	8.8
151.14824	0.7
153.12749	5.8
157.12250	1.7
161.13284	1.7
163.14824	3.4
165.12834	0.7
167.14375	2.4
175.14940	0.5
177.16443	1.3
191.17947	0.5
203.17984	0.6
217.19579	0.7
235.20509	0.8
273.18219	0.6
273.25793	1.4
291.19574	0.9
291.26752	5.9
309.27841	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	309.279
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03923	2.4
55.01862	5.2
55.05514	32.1
55.28135	1.2
57.03435	3.3
57.07083	18.7
59.05000	8.1
60.59338	1.1
67.05507	30.8
69.03440	7.0
69.07072	100.0
70.15688	1.2
70.79841	1.7
70.80148	1.8
71.04997	9.5
71.08647	6.7
73.06544	2.6
79.05495	18.7
81.03413	7.5
81.07063	96.2
83.04969	4.5
83.08154	1.9
83.08627	35.7
85.02903	9.0
85.06544	15.4
85.10213	1.5
91.05492	14.0
93.06491	2.0
93.07056	36.8
95.04982	3.9
95.08613	82.9
97.06548	9.0
97.10175	12.0
99.08099	9.0
105.07041	15.7
107.08605	38.7
109.02828	1.8
109.06514	4.3
109.10162	42.9
111.04501	5.9
111.07379	2.0
111.08086	27.5
111.11737	11.7
113.09579	1.4
117.06968	1.5
119.04938	6.3
119.08597	9.2
121.10159	21.8
123.04453	1.8
123.08102	3.1
123.10834	2.1
123.11720	42.7
125.09608	5.7
125.13246	2.4
127.03895	1.2
129.05441	2.3
133.10141	5.9
135.11710	15.8
137.09573	3.9
137.13268	17.9
139.03902	8.7
139.11203	7.8
145.10100	1.6
147.04427	25.1
147.08078	1.8
147.11702	7.9
149.12204	1.7
149.13274	19.7
151.07658	1.2
151.11070	1.7
151.14836	3.3
153.12737	9.2
155.14401	1.6
157.10210	1.5
158.18207	1.4
159.11674	1.6
161.13269	6.8
163.14813	8.3
165.05502	3.7
165.09108	1.5
165.12749	5.2
165.16377	1.7
167.14288	2.6
175.14879	2.0
177.16367	5.5
179.06984	2.7
179.14386	1.8
179.16211	2.2
179.17859	1.3
189.16319	2.3
191.06967	1.7
191.17961	2.6
195.17430	1.4
203.17929	2.4
206.37224	1.3
208.89671	1.3
209.19035	3.1
217.19528	3.4
247.24400	1.2
273.14853	1.5
273.25735	5.6
291.15918	3.3
291.19464	2.5
291.26782	15.4
305.24677	1.3
309.18835	2.4
309.27936	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	309.2789
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03946	3.9
55.01869	4.3
55.05516	35.8
55.10957	1.0
57.03436	4.9
57.06822	2.0
57.07080	19.9
59.04998	7.5
59.66663	1.0
65.03932	1.9
67.05511	34.1
69.03432	6.3
69.07074	91.4
71.05006	8.3
71.05349	1.5
71.08632	7.1
71.51534	1.9
73.02921	1.3
73.06553	5.1
75.04483	1.8
79.05496	18.3
81.03419	4.6
81.07063	100.0
82.62208	1.2
83.04985	3.7
83.08152	2.1
83.08626	34.8
85.02914	10.3
85.06545	16.5
85.10183	1.2
91.05479	11.4
93.07053	37.8
95.04964	3.2
95.08614	84.0
96.08960	1.4
97.06543	11.5
97.10187	11.5
99.04498	1.4
99.08114	9.9
105.07023	15.3
107.08604	40.7
107.87524	1.1
109.02890	2.7
109.06515	3.9
109.10165	43.1
111.04469	4.8
111.08086	29.0
111.11719	10.6
113.09660	2.1
117.06991	1.5
119.04963	5.1
119.08582	10.1
121.10152	22.0
123.04474	2.7
123.08077	2.6
123.11717	46.4
125.09621	5.9
125.13290	3.5
127.11200	1.3
129.05481	1.5
131.08604	1.8
133.10149	7.7
135.08109	2.0
135.11713	18.6
137.09608	3.8
137.13275	18.8
139.03894	8.8
139.11186	10.1
141.12714	1.8
143.14345	1.9
145.10124	1.7
147.04424	26.0
147.08104	2.8
147.11699	10.9
149.13266	23.0
151.11182	2.3
151.14804	3.1
153.12779	8.3
155.14368	1.2
158.73827	1.2
159.11647	2.2
161.13205	5.5
163.14836	9.1
165.05498	4.3
165.09140	1.7
165.12758	8.3
165.16391	1.7
167.14291	5.3
169.12323	1.5
173.06052	1.4
175.14786	1.9
177.16394	5.3
179.07040	2.6
179.14294	3.0
179.16293	1.5
179.17976	1.6
181.15823	1.4
189.16408	2.8
191.17903	2.6
203.17906	1.3
205.19528	2.1
207.17354	1.4
209.19107	2.1
217.19525	1.6
221.19041	2.2
246.61446	1.2
273.14731	2.5
273.18436	1.2
273.25827	3.7
277.08633	1.6
291.08652	1.7
291.16025	3.2
291.19977	1.3
291.23566	2.0
291.26785	17.9
309.18787	3.8
309.27914	28.1
325.69705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2215
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03943	8.0
55.05504	15.9
57.03439	8.7
57.07073	4.1
65.32744	3.5
67.05511	35.7
69.03433	4.6
69.07075	18.6
71.04990	5.2
77.03941	4.8
79.05511	34.0
81.03435	4.7
81.07060	40.0
83.04982	8.9
83.08617	9.0
91.05482	46.6
93.07053	50.0
95.04977	42.9
95.08613	38.6
97.06544	13.6
97.10148	4.5
98.98466	5.2
102.67557	3.7
105.06392	7.5
105.07037	78.6
107.04958	9.7
107.08607	35.0
109.06543	12.1
109.10175	25.2
115.05441	5.3
117.07034	19.4
117.55325	3.9
118.95228	3.3
119.08591	58.9
121.06518	11.9
121.10152	68.2
123.04431	4.0
123.08076	10.3
123.11666	6.6
128.06232	11.2
129.07004	11.6
131.08577	31.5
133.10138	35.5
135.08124	6.1
135.11681	12.5
141.06998	8.0
142.07811	13.8
143.08562	27.3
144.09378	5.2
145.06503	8.0
145.10132	41.5
147.08012	5.0
147.11687	15.2
154.07738	4.0
155.08591	11.1
156.09354	8.1
157.10147	30.2
159.08083	4.7
159.11702	33.5
161.09593	7.3
161.13348	3.8
165.07072	4.3
165.78452	4.2
169.10173	22.6
170.10951	4.6
171.11693	17.7
173.13263	14.7
174.91252	3.7
175.14854	10.2
179.08578	10.7
181.10135	7.9
183.11681	12.7
185.13272	10.8
187.11107	4.7
187.14862	11.4
193.10143	7.0
194.10861	6.2
195.11687	10.7
197.09407	4.0
197.13252	15.1
199.14917	9.8
201.12877	3.9
207.11760	6.2
209.03426	4.1
209.13289	14.3
211.14842	17.3
213.16302	4.5
220.12315	4.9
221.13321	7.0
222.13982	4.6
223.14938	4.0
225.16278	10.6
229.27658	4.6
235.14928	6.6
249.16612	5.6
253.15939	7.2
273.18665	5.0
278.28787	4.2
281.22650	6.2
291.21054	13.5
292.22549	4.1
309.14755	4.5
309.22134	100.0
312.05414	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	309.206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76786	2.2
53.03949	19.1
55.01868	12.2
55.05514	50.9
57.03436	16.9
57.07075	4.2
58.53491	2.2
59.04986	4.5
65.03947	3.1
66.26578	2.3
67.05180	3.2
67.05508	49.3
69.03426	11.8
69.07077	25.0
70.06557	2.5
71.04989	12.6
77.44024	2.2
79.05497	95.7
81.03428	15.9
81.07062	52.1
83.04995	12.0
83.08622	25.2
85.02914	3.7
85.06527	9.6
86.09708	6.4
91.05479	41.8
93.07046	100.0
95.04963	31.0
95.08621	28.3
97.06514	9.0
97.09622	3.3
97.10180	31.9
99.08088	9.1
103.05471	2.2
105.07035	26.8
107.04962	12.5
107.08591	27.7
108.08124	4.4
109.06509	9.1
109.10172	14.4
111.08105	4.5
113.06005	18.7
115.05425	2.5
115.07519	2.6
117.07014	12.7
119.08578	19.3
121.06486	8.7
121.10155	35.5
122.09663	3.1
123.04438	9.1
123.08078	16.9
123.11697	7.1
125.09640	30.1
127.07542	3.1
128.06221	2.2
129.07010	8.1
130.07770	2.6
131.08589	13.4
132.10214	3.4
133.06490	3.2
133.10081	14.3
135.08054	12.3
135.11697	13.2
137.09637	3.8
141.06917	2.6
143.08572	5.5
145.06471	3.6
145.10085	10.8
147.04410	6.4
147.08072	10.0
147.11705	8.9
149.09596	6.0
149.13243	4.9
150.00925	2.3
150.12778	6.3
151.13602	2.5
155.08672	2.7
157.10124	6.8
159.11687	7.5
161.09662	3.1
161.13242	4.3
161.48167	2.4
163.11168	5.0
169.10144	3.5
171.11682	4.0
173.13223	2.6
177.12756	3.3
185.13203	3.3
187.11134	6.8
189.11249	18.4
189.12737	4.8
201.12717	2.4
207.13857	2.1
213.12761	2.6
217.15819	5.6
221.15320	3.2
223.13220	4.6
235.13301	5.3
266.21127	33.0
273.18405	12.7
291.19547	34.0
309.11136	2.2
309.17343	4.3
309.20798	10.6
310.23782	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	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03946	12.9
55.01869	7.7
55.05262	2.1
55.05513	49.3
57.03447	14.2
57.07058	4.9
58.71583	2.0
59.04992	2.5
59.39506	2.4
67.05173	4.4
67.05507	46.3
69.03432	10.4
69.07075	18.3
70.06601	3.8
71.05006	8.7
71.08659	2.5
71.51721	2.4
71.52112	2.8
79.05499	94.7
81.03423	22.3
81.07059	48.9
83.04984	9.5
83.08628	22.3
85.06529	8.7
86.09736	2.9
91.05486	38.6
93.07047	100.0
95.01851	3.5
95.04967	27.0
95.08608	28.8
97.06524	5.6
97.10176	34.3
98.98490	2.8
99.08092	7.2
105.07024	24.8
107.04975	15.3
107.08606	27.3
108.08145	3.5
109.06535	9.4
109.10149	14.7
111.08074	3.7
113.06023	16.3
117.07041	9.1
119.04967	2.8
119.08614	15.9
121.06490	7.3
121.10157	34.8
123.04428	6.6
123.08065	14.4
123.11700	3.9
125.09641	28.6
127.07602	3.1
129.07042	6.2
131.08606	14.6
133.06490	3.1
133.10167	9.2
135.08063	8.5
135.11691	11.0
137.09657	5.5
143.08559	4.3
145.06439	3.7
145.10138	13.5
147.04430	10.6
147.08101	4.9
147.11719	6.6
150.12782	4.0
152.14395	2.5
157.10133	4.5
159.08083	3.0
159.11705	7.0
161.09676	4.1
161.13341	3.2
163.11179	4.5
169.10251	4.1
171.10254	3.2
171.11679	3.1
177.12726	4.6
182.81337	2.6
187.11191	6.9
189.11188	16.7
194.11838	3.2
195.13907	5.1
195.74376	2.4
199.14975	2.7
205.12309	2.7
205.16115	3.0
217.15909	4.4
219.13728	3.5
221.15350	3.8
223.13377	8.0
235.13303	6.9
235.16853	3.7
255.17465	3.5
266.21204	27.5
273.18497	15.2
291.19565	32.4
309.11301	2.8
309.17166	3.7
309.20752	11.2
310.23792	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.26143	2.7
53.03947	5.3
55.01892	14.1
55.05515	30.7
57.03423	4.7
57.07071	7.1
57.59724	2.4
58.86404	2.9
67.05509	78.0
69.03438	7.3
69.07073	27.0
71.04993	13.8
79.05499	47.9
81.03398	6.4
81.06593	4.7
81.07062	95.2
83.01340	3.6
83.04966	11.3
83.05403	2.6
83.08611	13.2
85.02876	3.8
85.06544	7.6
91.05483	60.2
93.07053	44.9
95.04966	17.9
95.08617	35.9
97.06526	11.0
97.10153	3.0
98.98443	4.1
99.08087	4.7
105.07045	58.3
107.04929	7.0
107.08604	49.1
109.06520	15.2
109.10159	84.7
111.04438	8.3
111.08070	12.9
113.05994	3.3
114.42201	2.9
117.06994	7.4
119.08569	20.8
121.06514	9.6
121.10137	10.4
123.04452	7.6
123.08067	8.3
123.11670	14.0
125.09586	5.0
129.07042	5.2
131.08578	15.4
133.06494	8.2
133.10143	100.0
135.08049	8.1
135.11685	8.3
137.09616	5.0
139.07545	9.0
143.08574	8.3
145.10130	13.4
147.08031	16.5
147.11696	6.9
149.09662	4.5
151.09990	3.7
151.11197	64.6
152.14346	9.9
157.10083	2.8
159.11734	5.4
161.09648	6.2
161.13297	3.4
165.09154	2.8
169.12234	12.6
171.11674	5.7
177.12654	4.1
179.14307	3.1
182.17374	3.1
196.16931	6.3
199.11168	3.1
201.77470	3.0
203.14282	3.7
207.13901	4.4
223.13232	3.8
227.18068	3.7
229.12024	3.3
235.13333	4.6
245.19077	13.3
255.17287	4.2
263.20078	10.7
273.18536	30.3
291.19559	68.6
299.42520	2.9
309.20575	21.8
309.25388	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03948	1.4
55.01875	5.8
55.05515	32.4
57.03432	2.7
57.07073	1.6
59.04993	1.9
67.05182	1.3
67.05507	16.8
69.03419	2.7
69.07079	10.0
70.68690	4.0
71.65504	1.1
72.21576	1.2
79.05500	15.6
81.03422	2.2
81.07059	21.1
83.04977	4.6
83.08625	17.0
91.05471	9.0
93.07038	10.8
95.04976	6.4
95.08623	8.6
97.02971	1.3
97.06510	2.8
97.10181	20.4
105.07038	9.2
107.04936	4.5
107.08614	11.4
109.02885	1.7
109.06547	2.4
109.10143	4.4
111.04424	1.8
111.08105	2.1
116.54821	1.3
117.06994	3.5
119.04946	1.1
119.08596	8.6
121.06466	2.4
121.10133	4.0
123.04398	2.9
123.08070	8.0
125.09636	18.5
129.07013	3.4
131.08542	5.4
133.06485	2.1
133.10114	3.5
135.08054	2.7
135.11696	2.9
137.09593	2.9
139.11127	1.6
143.08569	2.8
145.10117	4.5
147.04524	1.3
147.08046	4.8
147.11696	4.0
149.09590	1.8
157.10158	1.9
159.11641	1.8
161.09663	3.1
161.13228	1.7
163.11177	2.5
165.09113	3.6
169.42278	1.3
175.11172	1.6
189.11197	9.9
196.33061	1.5
223.13365	1.9
235.13397	1.6
249.14777	2.3
273.18509	18.1
291.19562	100.0
309.17575	1.5
309.20432	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Soraphen O
Peak:m/z	Relative Intensity
53.03953	1.8
55.01871	6.7
55.05509	5.3
57.03440	34.7
57.07061	1.9
59.05013	1.5
61.77646	1.3
67.05177	2.8
67.05512	33.0
69.03438	3.1
69.07075	3.3
69.27660	2.0
69.28065	12.6
71.04988	4.0
79.05495	16.8
81.03424	2.5
81.07069	18.5
83.08609	2.2
85.06553	33.4
91.05482	14.3
93.07040	14.1
95.04977	42.5
95.08615	7.4
97.06534	2.5
97.10208	2.7
103.05447	1.9
105.07047	7.7
107.04966	3.7
107.08590	13.4
109.06532	43.6
109.10129	3.3
113.06012	100.0
117.07024	7.1
119.04944	1.5
119.08621	9.2
121.06561	1.6
121.10138	5.6
123.04434	2.9
123.08086	2.0
129.07022	4.2
131.08598	8.6
133.10149	6.1
135.08061	34.1
135.11685	3.8
143.08569	3.8
145.10127	8.6
147.08043	3.1
147.11737	2.8
149.09639	4.1
157.10176	2.7
159.11777	4.3
161.09641	5.1
163.11169	2.3
165.09172	2.0
171.11688	2.0
175.11221	2.4
189.16388	2.0
199.14949	3.1
217.15945	13.3
231.50676	1.5
273.18515	14.9
291.19534	43.0
293.31171	1.6
294.21841	1.6
309.11975	1.7
309.20865	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01868	1.3
55.05515	3.9
56.96563	0.5
57.03437	11.4
59.04995	1.7
61.02927	2.1
65.03954	0.7
67.05495	1.4
67.05856	0.4
69.03434	4.0
69.07093	0.7
70.06030	0.3
71.01340	1.8
71.04997	28.1
71.51587	0.4
73.02927	4.9
75.04485	12.5
79.05507	1.4
81.03431	2.8
81.07061	2.1
83.04987	6.7
85.02909	100.0
85.06554	1.2
86.03217	0.4
86.09679	0.5
87.04463	2.4
91.05484	4.2
93.07059	1.1
95.04984	2.6
95.08608	1.0
97.02901	4.9
97.06521	0.7
98.97590	1.1
99.04475	2.1
101.06013	1.4
103.03999	1.0
105.07047	1.4
107.04924	0.7
107.08601	1.3
109.02888	2.5
109.06529	0.7
109.10180	0.7
110.06022	0.4
110.97593	0.6
111.04449	3.3
111.05587	0.5
113.02383	0.4
113.06025	0.5
116.07075	0.6
117.06993	0.6
119.04957	4.2
119.08617	0.9
120.08154	0.7
121.06528	0.6
121.10183	0.7
123.04444	1.3
123.08104	0.5
124.07603	1.1
125.09644	0.5
126.09184	0.9
127.03920	3.6
128.98601	0.5
129.05490	21.0
129.06993	0.8
131.08633	0.5
133.10167	0.9
135.04422	0.4
137.05960	0.5
137.09625	0.8
143.07074	0.6
145.05003	1.2
145.06520	0.5
147.04425	16.0
147.06497	9.5
147.08025	0.6
149.09653	0.7
157.06052	0.6
157.10219	0.5
161.06013	0.7
161.09628	0.5
163.11258	0.5
165.05530	0.8
171.06558	0.8
171.11719	0.5
184.27112	0.4
187.07503	0.6
191.08394	0.9
233.29384	0.4
235.13303	0.4
237.02937	0.5
255.08670	0.6
291.08771	0.4
291.12924	0.8
291.19464	0.8
309.11356	1.0
309.14426	0.6
309.17480	0.6
309.20926	0.6
324.73456	0.4
327.07697	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01863	1.4
55.05518	4.0
55.10637	0.8
56.96564	1.1
57.03439	11.6
59.04993	1.3
61.02924	2.2
62.83316	0.6
69.03431	4.7
69.07045	0.7
70.97106	1.7
71.01347	2.4
71.04997	26.8
73.02916	5.2
75.04480	15.1
79.05497	1.5
81.03454	1.6
81.07049	1.1
83.04996	6.9
83.08611	0.8
85.02908	100.0
87.04474	3.1
91.05473	4.1
93.07061	1.6
95.04948	1.3
97.02901	4.8
98.58366	0.8
98.97601	1.9
99.04473	1.7
101.06024	1.9
105.07047	1.0
109.02865	1.4
110.97600	0.7
111.04453	3.3
112.18507	0.7
119.04943	4.7
119.30135	0.7
121.10031	0.8
123.04441	0.9
126.24018	0.7
127.03918	3.8
129.05487	23.1
129.06929	0.9
145.04948	1.4
147.04419	14.5
147.06519	12.5
147.07819	0.8
147.08145	0.7
171.06572	0.9
182.33572	0.8
191.08208	0.8
203.82314	0.7
315.02921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06103	0.3
53.03965	0.4
65.03957	1.0
65.37762	0.3
70.06596	2.8
76.02212	1.5
84.04518	3.4
85.02900	0.4
91.05489	12.7
93.07047	0.4
105.07044	0.5
107.04958	0.9
107.08574	0.3
116.07075	2.6
116.10780	0.5
119.04958	27.8
133.06511	0.9
133.10175	0.5
138.09215	0.4
144.06575	4.1
147.04427	100.0
147.96159	0.3
148.04742	0.6
162.07663	0.9
164.07114	0.5
179.04871	0.6
198.87074	0.4
255.04227	0.4
290.13913	0.7
308.14926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1855
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
54.97329	0.9
55.05495	3.0
56.05027	1.0
57.03418	2.7
61.38934	0.9
67.05489	2.7
67.31080	0.9
68.05016	2.6
69.07066	2.3
70.06596	1.0
71.01363	1.1
71.51617	1.2
73.73540	0.9
79.05486	6.2
80.05021	7.7
81.07044	5.1
83.08600	1.1
84.04511	9.1
85.02908	40.4
91.05456	4.8
93.05780	3.5
93.07047	9.4
94.06594	1.3
95.08605	2.7
105.07031	4.8
107.08588	7.5
108.08123	100.0
109.08901	7.5
110.09669	3.5
110.10388	1.2
114.05532	2.9
116.72639	0.9
119.08566	4.2
120.08089	1.3
130.04942	1.7
131.03394	4.3
133.10144	3.1
134.09653	3.4
135.11719	5.0
147.04411	1.0
147.11629	1.0
148.11223	3.2
161.13310	2.4
162.12770	1.2
167.09433	1.3
176.14384	3.5
177.15154	1.3
178.15894	1.6
194.11803	2.8
210.07590	6.1
224.09241	1.1
238.10747	77.3
239.11531	4.0
240.12334	23.2
308.18567	57.7
309.18835	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.01863	0.6
56.05024	0.2
57.03431	0.7
61.02924	1.3
69.03440	2.5
69.39764	2.0
70.06589	0.7
71.04992	0.3
72.08138	0.3
73.02914	0.7
76.02226	1.2
79.05511	0.3
81.03439	1.3
81.07044	0.4
84.04500	0.6
84.08162	1.5
85.02914	7.1
87.04494	0.6
91.03947	0.6
91.05482	1.1
93.07070	0.3
97.02892	2.7
97.06548	0.3
98.20757	0.4
99.04456	0.7
107.41704	0.3
109.02884	1.4
109.06565	0.4
118.06562	1.2
119.04942	0.7
120.08089	0.6
127.03923	1.8
128.00845	0.3
128.04900	0.3
129.10234	0.5
130.06538	0.4
131.06895	0.6
132.04413	0.3
136.07608	0.7
137.05978	4.3
145.04944	1.6
146.06020	100.0
147.04451	1.4
147.06384	0.7
153.01955	0.4
157.07680	0.4
158.06044	0.6
158.07930	0.8
159.06369	1.0
162.02136	0.5
164.07138	0.3
171.04430	0.7
173.02982	0.6
174.03815	0.3
176.09055	0.6
183.49979	0.3
189.05499	0.4
199.03894	0.7
217.04939	0.4
219.03325	0.4
221.98274	0.3
227.03212	0.6
245.04552	0.5
255.08678	2.6
262.08887	0.6
273.03973	1.6
273.09698	0.7
291.05127	0.6
308.11356	2.6
308.15045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
56.05034	0.4
57.03436	1.6
58.99591	3.7
69.03413	0.5
70.06583	0.5
76.02232	16.4
76.03988	0.5
81.03423	2.4
84.03996	0.4
84.04505	7.5
85.02892	0.6
86.99057	0.9
91.05482	3.1
95.04959	0.5
99.04456	2.1
107.04972	1.3
109.02876	0.8
116.01675	3.3
118.06541	1.0
119.04952	3.5
121.98647	0.3
123.04434	2.6
127.03912	0.9
127.53348	0.3
130.04997	2.1
134.06012	0.4
136.06525	0.5
136.07581	12.6
142.03282	1.8
144.01158	1.7
146.06015	100.0
147.04413	4.0
147.06354	0.8
151.44577	0.3
161.06017	0.7
162.02214	6.9
162.03635	0.3
162.05504	1.1
164.07010	0.4
165.05496	3.9
170.02771	0.5
174.09187	0.3
179.04854	6.7
182.08154	2.3
195.51259	0.3
202.08659	4.3
215.04805	0.4
216.10193	0.7
226.08690	0.7
233.05974	2.1
244.09714	5.6
248.09198	2.0
262.10803	3.1
272.09207	0.9
290.10178	0.4
291.06528	0.6
293.71738	0.3
308.11334	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
54.68799	1.6
55.01871	2.4
55.05517	33.8
57.03438	3.9
57.07081	14.9
59.05002	9.2
59.54656	1.7
62.48274	1.8
67.05509	30.5
69.03419	6.3
69.07071	79.8
69.42502	13.1
71.01363	1.6
71.04998	11.3
71.08630	4.3
79.05496	20.8
79.98128	1.8
81.03417	1.9
81.07061	100.0
83.05001	2.8
83.08624	28.5
85.06537	5.4
91.05492	15.9
93.06479	3.3
93.07049	53.8
95.04967	6.4
95.08614	99.4
95.37321	1.6
97.06529	7.9
97.10167	8.3
99.08040	3.3
105.07048	19.6
107.08601	47.1
109.06496	6.5
109.10166	44.5
111.08082	13.2
111.11710	8.9
117.07007	2.5
119.08579	12.1
119.27785	1.7
120.73996	1.7
121.06553	1.8
121.09322	3.5
121.10156	42.3
123.08081	4.4
123.11710	38.5
125.09594	5.0
131.08582	4.0
133.10126	9.3
135.11720	20.7
137.09608	2.3
137.13263	30.6
139.11172	9.1
145.10132	10.1
147.11676	7.2
149.09555	2.0
149.13261	29.7
151.11191	6.0
151.14807	5.2
153.12773	4.5
159.11703	6.9
161.13300	6.0
163.11246	5.7
163.14836	5.6
165.12737	4.3
167.14369	11.1
173.13280	4.1
175.14787	4.0
177.12730	2.7
177.16431	2.8
181.12149	2.4
189.16512	2.7
201.16415	2.9
205.24937	1.8
271.24173	6.2
289.18063	2.7
289.25281	30.6
297.74512	2.1
307.26321	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	307.2634
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
50.25700	1.3
50.81921	1.1
53.03949	1.9
55.01886	1.7
55.05512	15.1
57.07088	6.8
59.05000	2.8
67.05508	12.0
69.03422	3.6
69.07071	100.0
71.05012	1.8
71.08625	3.0
71.43570	1.5
79.05498	10.7
81.07059	63.4
83.04990	2.1
83.08625	10.3
85.06545	4.7
90.57142	1.1
91.05473	7.4
93.07047	30.1
95.04953	1.9
95.08611	40.7
97.06532	9.6
97.10182	3.8
99.08121	1.4
101.06059	1.1
105.07043	17.5
107.08601	20.8
109.06544	3.8
109.10160	21.5
111.08082	13.2
111.11720	21.8
113.09661	1.2
119.08598	9.3
121.10144	25.2
123.08086	2.5
123.11710	22.7
125.13305	1.3
127.26313	1.2
131.08606	1.7
133.10150	8.0
135.11708	8.7
137.13248	4.7
139.11192	23.5
147.11684	11.7
149.13249	6.6
151.11206	12.8
151.14816	2.1
153.12737	6.2
159.11700	3.2
161.13272	3.5
163.14822	2.6
165.12743	15.6
167.14346	1.6
169.12076	1.3
175.14861	2.1
177.16354	1.5
183.13753	1.5
207.66876	1.6
215.18111	1.4
245.22813	1.6
271.24265	2.1
277.25006	1.4
277.45023	1.2
289.25308	8.8
307.26321	28.6
307.29544	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03942	2.5
55.01852	1.8
55.05516	19.0
57.07077	7.6
59.04984	1.3
67.05510	22.4
69.03428	4.0
69.07072	57.5
69.29863	11.0
69.30196	1.5
71.04992	3.7
71.08614	1.5
79.05501	17.3
81.07060	82.6
83.04968	2.8
83.08626	11.8
85.06549	11.5
91.05486	9.0
93.07050	39.3
95.04986	7.1
95.08614	37.1
95.09075	0.7
97.06547	8.6
97.10158	3.9
99.08120	3.4
103.87943	1.2
104.21129	1.0
104.23304	1.3
105.07043	17.9
107.08601	48.5
107.53615	1.2
109.06517	12.4
109.10162	31.1
111.08084	22.9
111.11720	8.7
114.49208	1.3
117.07033	1.8
119.08591	13.1
121.10146	21.6
123.08036	6.0
123.11709	22.7
125.09631	2.8
127.11193	2.0
131.08554	3.5
133.10138	15.6
135.11710	16.9
137.09628	4.1
137.13266	5.7
139.11171	9.3
145.10124	3.4
147.11707	11.4
149.09654	1.8
149.13261	8.4
151.11197	28.2
153.12756	5.5
159.11710	4.3
161.13277	4.8
163.11191	5.0
163.14839	3.7
165.12764	26.2
169.12268	4.0
173.13351	1.8
175.14868	2.4
177.12794	3.2
177.16435	1.9
179.14314	4.6
187.14893	3.1
189.16438	3.1
191.18005	1.8
199.26048	1.1
203.18018	1.4
209.19144	1.3
215.18063	1.6
237.18428	1.9
245.23166	2.2
250.42973	1.1
271.24286	2.9
289.25229	12.2
307.26358	100.0
308.26648	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	307.2633
Annotation	Crinitol
Peak:m/z	Relative Intensity
51.54284	1.5
53.03948	2.9
55.01870	4.2
55.05266	1.9
55.05514	18.7
57.03426	1.7
57.07080	9.5
59.04996	1.6
65.03949	2.1
67.05508	21.6
69.03414	6.3
69.07072	72.0
70.06583	5.1
70.21060	3.8
71.04989	4.9
71.06894	2.4
71.08624	3.7
79.05502	17.5
81.07059	100.0
82.07372	1.7
83.04965	2.9
83.08620	15.9
85.06546	5.5
88.07667	2.2
89.06026	1.6
91.05476	13.3
93.07050	47.5
95.04967	6.5
95.08608	55.9
97.06536	10.6
97.10169	6.2
97.11524	1.6
98.55341	1.6
99.08118	2.4
105.07042	15.0
107.08588	36.8
109.06546	5.8
109.10165	31.0
111.08087	25.2
111.11710	14.7
117.07047	1.8
119.08590	9.7
121.09332	1.9
121.10162	22.4
123.08041	2.7
123.11708	32.6
125.09621	4.8
132.10223	3.2
133.10124	14.2
135.11723	14.1
137.09541	1.9
137.13268	11.6
139.11174	17.7
145.10121	5.5
147.11690	5.6
149.13225	10.0
151.11174	29.4
153.12802	7.4
153.13812	1.6
159.11659	4.4
161.13286	5.7
163.11214	3.1
163.14815	4.6
165.12776	3.8
169.12244	5.1
171.96552	1.6
173.13321	2.7
175.14792	3.8
177.12839	1.8
177.16364	5.0
179.63876	1.7
187.14931	1.8
189.16379	3.6
191.17940	2.2
200.20123	2.8
201.16371	1.8
201.20430	5.7
242.81349	1.6
245.23051	11.7
271.24194	5.5
277.25220	2.2
289.25226	13.5
307.26508	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
51.82008	1.2
53.03937	2.7
53.86311	1.1
55.01865	2.2
55.05515	15.0
57.07076	2.2
59.04993	3.2
65.03950	1.9
67.05175	1.9
67.05505	22.2
69.03421	1.3
69.07076	12.1
69.72027	7.1
69.76701	1.1
71.04998	9.9
73.06555	1.9
79.05494	25.9
81.03426	2.7
81.07062	26.9
83.04973	1.9
83.08611	6.2
85.06529	3.9
86.09666	1.1
87.04474	2.2
91.05486	36.3
93.07049	25.1
94.04189	1.5
95.04955	3.5
95.08595	20.2
97.06532	8.6
97.10156	4.4
99.08086	1.7
103.05470	1.8
105.07034	42.2
107.04960	2.0
107.08602	19.7
109.06520	15.6
109.10140	12.0
110.89819	1.2
111.08086	4.2
116.01670	1.6
117.07018	9.7
119.08581	29.4
121.02873	4.4
121.06503	7.2
121.10156	12.0
123.08065	12.5
123.11705	1.8
125.09631	2.7
129.07004	2.9
129.31537	1.2
131.08551	10.0
133.06493	1.3
133.10133	26.8
135.08038	7.6
135.11703	6.1
137.09615	10.0
139.11200	1.7
141.06966	2.0
143.08537	2.3
145.10127	11.1
147.07999	1.7
147.11705	19.6
149.09650	6.9
149.13228	2.5
151.11172	15.6
157.10121	3.1
159.08139	1.8
159.11687	9.2
161.09648	2.3
161.13216	5.8
163.11157	8.6
165.12744	7.2
167.10637	1.4
169.10101	2.2
171.11705	3.5
173.13243	6.3
175.11191	1.6
177.12715	3.6
179.14320	3.4
183.11685	2.6
187.14911	2.1
195.13553	1.3
197.13272	4.5
213.16422	1.2
215.14392	1.9
229.19508	7.4
233.15402	2.8
233.18948	1.2
237.14899	1.2
238.23973	1.4
239.18015	8.8
247.20724	5.9
249.18503	2.9
257.19000	11.3
271.41342	1.4
275.20074	56.5
289.21594	2.6
307.09772	2.7
307.22693	100.0
308.22928	1.9
314.08212	1.2
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
51.29790	2.3
53.03942	7.3
55.01880	22.6
55.05518	38.7
57.03419	5.3
57.07069	5.3
65.03931	3.9
67.05510	60.3
69.03419	2.7
69.07068	29.9
70.70017	2.1
71.04979	5.2
71.51437	3.7
79.05069	4.0
79.05499	58.9
81.03400	6.7
81.07061	64.0
83.04989	5.8
83.08620	20.6
85.06503	2.8
91.05485	43.5
92.19628	2.6
93.06476	4.1
93.07047	51.3
94.26903	2.1
95.04969	19.4
95.08610	42.9
97.06538	25.4
97.10174	21.3
98.06057	5.6
98.98489	3.4
99.08080	4.1
105.07037	45.8
107.04967	15.0
107.08602	67.3
109.06528	58.2
109.10162	17.6
111.08070	7.9
117.07019	12.5
119.08572	28.8
120.17380	2.6
121.02894	4.1
121.06517	7.7
121.10184	18.2
123.07275	2.4
123.08059	12.2
123.11693	5.9
125.09620	18.7
129.07036	4.4
131.08577	17.2
133.10136	30.1
135.08064	11.9
135.11687	10.6
137.05986	12.5
137.09624	7.4
137.13156	2.5
138.06325	8.6
143.08510	3.7
145.10141	20.0
147.11687	18.2
149.09619	26.3
149.13252	3.5
151.11186	9.2
153.09085	3.7
159.11693	14.5
161.13260	6.7
163.11189	9.3
165.09158	2.2
165.12758	14.2
169.10126	2.7
171.11691	5.5
173.13263	10.6
175.11198	4.0
175.14877	2.8
177.12752	5.1
181.12239	3.6
183.11595	2.6
187.11115	5.1
191.14217	2.7
197.13353	5.7
203.12772	8.9
215.17955	2.7
219.17511	2.8
229.19490	8.1
233.93094	2.3
239.17993	5.8
247.20590	10.7
251.16417	7.2
257.19113	12.8
275.20087	100.0
289.21686	14.4
307.22787	75.1
307.28235	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	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	19.6
53.05286	2.2
55.01876	55.0
55.05516	30.7
57.03442	4.1
58.90517	2.3
65.03929	2.7
67.05509	58.0
69.03432	3.5
69.07072	51.2
71.01063	6.0
71.05000	3.1
79.05499	57.9
81.03425	33.3
81.07058	79.6
83.04999	15.9
83.08617	7.4
85.06551	6.2
91.05483	53.8
93.07056	56.1
95.01340	5.6
95.04982	20.9
95.08614	42.7
97.06538	100.0
97.10195	4.8
99.08093	3.6
105.07038	67.7
107.04967	33.0
107.08600	25.1
109.06527	10.9
109.10152	11.2
111.08090	3.2
117.07007	18.4
119.08588	31.0
121.06540	6.2
121.10164	10.2
123.01743	2.7
123.08065	11.7
123.11753	7.3
125.09641	8.1
129.71422	2.6
129.78329	2.5
131.08569	22.7
133.06546	3.7
133.10124	33.8
135.08046	6.1
135.11694	17.5
137.06010	3.4
137.09601	6.0
138.06329	4.0
141.06999	4.8
143.08563	4.3
143.88512	2.7
145.06462	7.3
145.10141	18.1
147.11656	18.8
149.09644	22.7
149.13269	8.8
150.19641	2.7
151.11191	8.7
153.09203	2.8
157.10143	5.0
159.11723	20.3
161.13344	6.5
163.11209	10.9
165.09116	6.6
165.12752	3.1
169.10060	5.6
171.11606	3.3
173.13338	5.5
177.12791	17.4
179.14331	18.9
187.11197	10.4
205.12209	4.5
209.15350	4.3
215.17880	2.4
219.17415	12.0
247.20547	7.1
255.15842	3.2
257.18988	8.9
271.49109	2.5
275.20078	81.5
307.22968	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05332	1.8
53.03938	8.5
55.01876	14.2
55.05510	32.1
57.03431	4.2
57.07062	2.6
65.03947	4.8
67.05511	69.6
69.03407	5.8
69.07076	36.6
71.04977	6.4
77.03957	2.8
79.05065	4.0
79.05496	48.3
80.71140	2.0
81.03407	10.2
81.07058	96.3
83.04972	7.4
83.08627	11.6
85.06543	2.9
91.04990	1.5
91.05482	47.5
93.07047	53.7
95.04971	52.3
95.08609	50.2
97.06506	12.6
97.10178	6.3
98.98484	2.9
105.07040	52.4
107.04965	12.8
107.08588	28.3
109.06522	20.2
109.10161	28.2
109.56657	2.6
111.08055	6.4
115.07536	3.3
117.07021	14.0
119.08591	47.1
121.02880	2.4
121.06516	11.9
121.10161	21.3
123.08083	26.1
123.11700	9.5
125.09586	4.3
129.07011	5.5
131.08574	20.8
133.10141	31.8
135.08075	9.7
135.11725	11.3
137.05978	6.5
137.09602	18.2
138.06311	7.6
139.11215	2.8
143.08543	4.1
145.10147	20.1
147.08067	3.3
147.11687	27.1
149.09639	10.5
149.13264	5.9
151.11179	7.8
154.85771	2.1
155.08461	2.3
157.10202	4.1
159.11673	16.9
161.09612	2.4
161.13278	6.9
163.11198	13.5
165.12750	7.6
171.11702	6.9
173.13203	12.6
175.11201	5.4
176.75522	2.5
177.12659	4.3
183.11659	5.6
187.11183	3.0
187.14893	3.1
189.12784	3.2
191.14330	3.1
197.13411	3.7
201.12743	4.3
207.13777	3.3
219.13783	3.8
229.19478	4.9
233.15340	4.3
239.17921	9.4
247.20615	10.4
251.16278	3.2
257.19073	14.5
263.19968	3.8
275.20090	100.0
289.21600	13.0
307.19470	4.1
307.22775	44.7
307.28235	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	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03944	8.1
55.01886	13.6
55.05511	31.8
57.03424	2.4
57.07067	3.6
59.04988	3.2
60.16279	2.1
65.03935	5.2
66.56798	2.2
67.05511	67.3
69.03420	4.8
69.07067	29.7
69.87871	2.0
71.04989	5.9
71.24824	3.8
76.02204	3.0
79.05496	47.2
81.03403	9.2
81.07063	97.1
83.04993	11.3
83.08625	15.1
85.06540	5.3
91.04900	2.9
91.05485	54.8
93.07056	51.5
95.04974	37.9
95.08000	2.8
95.08611	50.0
95.17049	2.3
97.06531	10.3
97.10157	5.0
98.84338	2.0
98.98457	3.9
104.48226	2.0
105.07039	51.6
107.04274	1.8
107.04972	12.0
107.08604	32.2
109.06507	16.7
109.09454	3.4
109.10160	32.3
111.08080	5.8
117.07021	18.3
119.08591	56.8
119.09454	2.8
121.06522	9.1
121.10155	20.4
123.08067	18.7
123.11721	12.3
125.09640	7.4
125.49461	2.1
129.07001	5.4
131.08563	25.2
133.06528	3.4
133.10129	43.4
135.08073	13.1
135.10809	2.1
135.11644	11.5
137.05994	12.1
137.09599	16.0
138.06325	5.5
143.08604	4.7
145.10136	21.5
147.08040	3.7
147.11665	22.3
149.09627	14.0
149.13278	7.7
151.11163	11.6
153.12877	2.4
155.08549	3.0
157.10130	6.2
159.11674	14.6
161.09601	3.3
161.13289	7.2
163.11153	12.3
165.09113	3.0
165.12749	8.9
169.10217	2.4
171.11621	4.6
173.13313	10.5
175.11188	3.1
177.12816	5.4
183.11684	4.3
187.11130	2.6
189.98090	2.4
191.14372	2.8
197.13184	5.0
201.12779	3.0
207.13875	3.2
211.14760	2.7
213.16284	2.6
219.13805	2.9
229.19522	5.9
233.15497	2.8
239.17903	6.1
247.20697	11.7
251.16386	2.5
257.18967	12.9
275.20087	100.0
279.23257	3.6
289.21521	6.5
307.22836	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	307.2057
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
51.68866	1.7
53.03940	4.4
55.01865	2.8
55.05503	6.6
57.03430	3.9
65.03942	2.0
65.83011	2.3
67.05510	14.1
69.03419	3.3
69.07082	9.0
70.11824	8.7
70.69397	1.9
71.05013	2.3
79.05500	19.6
81.03416	3.3
81.07070	20.7
83.04974	3.7
91.05486	18.8
93.07059	18.7
95.04981	23.0
95.08624	10.3
97.06528	15.3
98.98454	2.2
103.05453	2.3
105.07034	40.4
107.04937	3.5
107.08597	10.0
109.06519	6.9
109.10195	4.6
111.08109	2.0
115.05449	3.9
116.06204	2.2
117.07030	14.4
119.08591	37.8
121.02903	2.1
121.06499	4.9
121.10155	8.4
128.06223	13.6
129.07021	13.0
130.07800	4.3
131.08574	19.6
133.10135	49.7
135.11697	2.3
138.06349	2.3
141.06993	9.1
142.07771	12.6
143.08572	34.9
144.09325	5.5
145.10135	27.3
147.08061	5.9
147.11693	6.0
149.09616	4.7
153.07016	6.3
154.07803	6.8
155.08583	8.9
156.09299	13.0
157.10144	23.2
158.10919	5.3
159.08121	1.9
159.11667	22.3
161.09618	7.2
165.07037	6.8
165.34489	2.0
166.07739	2.8
167.08601	12.5
168.09386	4.5
169.10120	20.3
170.10965	4.1
171.11716	15.7
173.09682	2.7
173.13300	11.0
178.07780	2.4
179.08537	10.1
180.09409	4.6
181.10149	15.6
182.10867	15.8
183.11713	10.4
184.12416	3.3
185.09718	4.3
185.13287	4.6
187.11223	9.0
187.14830	2.1
191.08705	2.3
192.09357	3.2
193.10126	15.7
194.10971	7.6
194.25615	1.9
195.11757	15.4
196.12486	7.1
197.13266	17.8
198.14005	3.2
199.11223	2.3
199.14847	6.6
201.12727	3.3
204.09340	3.1
205.10077	5.3
206.10916	12.8
207.11673	17.9
208.12535	8.8
209.13258	17.8
211.14706	8.9
213.12758	2.6
215.14262	2.0
217.10191	5.5
218.10945	3.5
219.11783	7.3
220.12488	5.3
221.13242	20.5
222.14018	5.2
223.14848	11.3
225.16400	3.4
227.14291	1.9
230.10971	2.0
231.11751	4.7
232.12537	6.0
233.13286	14.5
234.14069	5.9
235.14774	6.0
237.12758	2.7
237.16365	11.2
244.12531	3.0
245.13315	6.8
246.14079	2.3
247.14902	10.2
248.15659	7.9
249.16429	6.5
251.14351	8.8
251.18013	3.6
259.14865	7.7
260.15646	2.3
261.16318	2.3
263.17960	23.3
265.15872	3.1
265.19534	2.4
274.17166	8.8
277.19797	2.4
279.21103	9.0
289.19562	17.5
307.20593	100.0
308.21051	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	307.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78058	0.8
62.53997	0.7
66.31549	0.8
69.70139	3.1
72.93780	1.7
82.02937	1.0
87.00823	2.6
94.06555	1.8
107.08525	1.1
108.17537	0.7
130.06534	92.0
132.04463	21.5
132.95880	0.9
146.06000	5.7
157.07619	78.1
158.06018	100.0
159.06451	1.1
163.03877	0.8
173.07156	4.6
175.08681	46.8
176.07082	1.4
191.03404	1.1
197.07095	2.6
198.05580	1.0
199.08655	3.3
201.06619	4.9
203.08151	4.1
219.02951	2.0
221.09282	3.7
225.06523	1.2
239.99719	0.7
243.07668	11.1
245.09213	2.3
247.02563	1.0
247.07179	3.4
261.08728	37.9
262.09030	1.0
271.07169	1.9
283.98593	1.1
289.08191	9.6
307.04364	1.6
307.09161	3.1
307.12366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	56.8
57.06298	12.5
58.76915	11.1
61.34984	16.0
69.03461	14.6
69.42572	96.9
84.04529	13.5
85.02913	38.8
87.04488	13.0
98.97597	71.5
101.00899	35.5
101.71321	12.2
110.97572	40.6
113.42217	12.3
119.01920	36.6
128.98608	18.7
131.01892	15.4
133.03511	14.0
143.01927	27.7
145.01735	16.9
145.03499	21.4
155.01959	22.5
155.36475	12.5
157.01709	18.2
157.03491	19.4
158.99690	22.5
163.02798	25.5
201.00764	12.6
219.01825	31.6
237.02841	30.2
265.06027	31.6
284.79294	11.2
307.07727	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	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	0.5
61.02974	0.4
67.05486	0.7
69.07064	1.2
69.13499	0.4
72.09654	0.3
75.96819	0.4
79.05499	0.6
81.07053	1.1
91.05483	0.9
93.07046	0.4
94.04189	2.5
95.08604	0.5
97.06514	0.6
100.07603	0.4
106.00047	0.4
107.08581	0.6
109.10162	1.0
118.18373	0.4
122.03644	7.3
126.09225	0.4
133.10089	0.4
135.11694	1.1
137.05986	100.0
138.06308	0.7
151.11209	0.4
153.12766	1.2
155.96930	0.4
170.15414	2.3
182.15456	1.9
260.94916	0.4
278.95236	0.5
306.20651	1.0
312.95160	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.7
55.52035	0.3
57.03450	2.6
67.05503	0.7
69.07056	1.0
69.48676	1.1
69.49094	1.8
71.01348	1.3
81.07072	2.1
82.07392	0.5
83.58266	0.4
85.02911	38.3
85.81406	0.4
86.83052	0.4
89.02357	0.4
91.05469	0.4
93.07053	1.4
95.01304	0.5
95.08609	1.1
95.84362	0.4
97.06551	0.6
103.03937	0.6
103.37971	0.4
105.07053	0.6
107.08606	0.9
109.10155	0.9
113.02367	1.7
118.06550	18.2
119.07320	0.7
119.08549	0.4
120.08134	0.5
121.10142	0.6
123.11729	0.7
130.04987	0.5
131.03421	1.6
132.08109	3.6
133.08879	1.6
134.09662	1.1
145.10117	0.4
146.09648	4.4
147.10463	0.4
147.11687	0.4
151.11205	0.4
153.01797	0.4
160.11226	0.5
168.10933	0.4
176.14362	84.7
177.03279	0.8
177.14636	1.0
202.15968	1.3
210.89789	0.4
216.13905	1.2
246.14928	0.7
248.09323	0.4
288.15851	0.7
288.24225	0.5
306.17017	100.0
307.17398	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1702
Annotation	Convolamine
Peak:m/z	Relative Intensity
53.62017	0.2
56.88806	0.2
56.96138	0.3
57.03445	3.2
59.46559	0.2
59.72520	0.3
64.50761	0.2
69.07061	0.6
71.01360	1.7
79.05488	0.4
81.07059	0.8
85.02909	43.5
91.05504	0.3
93.07056	0.5
94.07387	0.2
95.01342	0.6
95.08617	0.3
103.03941	0.7
106.06565	0.3
107.08569	0.6
108.29678	0.3
109.06570	0.3
113.02355	2.3
117.05775	0.3
118.06550	18.3
119.07297	0.7
120.08112	0.3
122.20872	0.2
131.03400	1.9
131.08565	0.3
132.08098	6.6
133.08876	2.9
134.09668	1.5
144.60925	0.3
146.09633	5.7
147.10478	0.4
150.13615	0.3
159.08328	0.2
160.11264	0.6
161.11926	0.4
176.14354	90.6
177.14674	1.0
202.15887	1.4
216.13884	0.5
234.38847	0.3
246.14888	0.7
262.10840	0.3
276.12299	0.4
288.15918	0.9
306.17004	100.0
307.17401	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	306.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43595	0.3
53.03933	0.3
55.01875	0.5
56.30381	0.3
57.03456	1.4
57.03679	0.2
57.86422	0.3
58.99576	0.8
61.02934	2.8
63.36350	0.3
65.03958	2.4
68.05031	1.9
69.03439	6.1
69.90158	1.4
70.84373	0.3
71.01336	0.4
71.04990	0.5
73.02929	2.0
76.04004	0.6
79.76202	0.3
80.04902	0.3
80.58284	0.3
81.03416	1.5
81.50432	0.3
84.04511	0.9
84.08154	1.9
85.01147	2.4
85.02908	13.0
85.04021	1.1
87.04487	1.2
89.31728	0.3
91.03994	0.3
92.01716	0.3
97.01138	0.3
97.02903	3.3
98.00639	2.5
99.02682	4.7
99.04458	1.1
103.03965	0.7
109.02880	1.7
113.02979	2.6
126.03747	26.7
127.03856	1.6
127.04694	3.1
130.05045	0.7
131.04478	0.5
144.04791	100.0
144.10110	0.7
145.05003	2.0
158.06013	0.3
177.03317	3.0
177.86731	0.3
186.05844	3.0
215.14046	0.4
243.17039	0.9
260.06461	0.4
288.06070	0.4
288.08908	0.3
306.06537	0.6
306.10052	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	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
52.71534	1.8
53.03938	4.4
55.05514	25.2
57.03436	2.7
57.07064	8.4
59.05007	3.0
61.65831	1.8
65.03916	2.9
67.05176	3.2
67.05507	37.8
69.03424	6.9
69.07066	44.7
71.04996	17.7
71.36035	3.6
79.05494	35.8
81.03411	2.3
81.07058	91.4
83.04977	8.5
83.08625	11.0
85.02869	2.2
85.06541	5.3
91.05489	26.4
93.07045	100.0
93.07636	5.0
95.04955	15.4
95.08613	70.9
97.06516	12.6
97.10174	4.7
103.56437	1.9
105.04512	2.1
105.07037	39.8
107.08597	82.5
109.06515	8.4
109.10161	50.0
111.08064	6.4
111.11719	8.2
117.07021	6.2
119.06048	1.9
119.08586	37.0
121.06525	3.8
121.10143	94.9
123.08074	5.3
123.11701	34.1
125.06005	2.8
125.09644	3.5
125.13297	2.1
129.07043	2.8
131.08557	8.8
133.10143	27.4
135.11690	61.6
135.38696	1.9
137.09615	8.2
137.13254	7.0
139.11147	9.0
143.00182	1.9
143.08504	3.8
144.09384	2.7
145.10106	17.7
147.11696	24.5
149.09505	2.5
149.13271	24.9
151.11174	13.0
153.01820	7.4
153.12769	5.4
157.10112	6.5
159.11688	10.8
161.13242	9.7
163.11174	12.9
163.14830	6.0
165.12755	9.4
167.10683	2.9
167.38229	1.9
169.12196	2.4
173.13205	6.9
175.14786	9.3
177.12775	2.4
177.16365	5.7
178.24149	1.9
181.12193	10.0
185.13249	4.9
187.14827	5.4
189.16359	4.8
193.15834	3.4
199.14906	2.4
201.16425	2.9
203.17873	5.9
213.16457	5.7
215.17892	2.4
227.18019	3.2
269.22662	6.3
287.23621	25.1
305.24753	58.4
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
53.03950	4.6
53.09317	1.8
55.01885	2.1
55.05513	22.8
57.03443	2.9
57.07076	10.0
59.04986	3.2
65.03066	1.8
65.03933	2.3
67.05510	32.6
69.03425	4.7
69.07076	38.4
69.79140	7.0
69.79550	4.1
70.06573	6.3
71.01335	3.5
71.05002	16.4
79.05495	35.3
81.06590	4.3
81.07062	83.2
83.04986	9.2
83.08635	13.8
85.06520	3.1
88.07645	3.2
91.05486	25.4
93.07050	97.2
95.04974	9.9
95.08615	71.9
97.06541	8.9
97.10183	5.4
102.09161	2.0
105.07028	36.9
107.04949	2.0
107.08601	81.8
109.06515	7.8
109.10172	45.4
111.08097	3.6
111.11716	9.0
113.26354	1.9
117.07027	5.1
119.08586	30.1
121.06532	3.7
121.10149	100.0
123.08058	4.6
123.11713	30.1
125.06007	3.6
125.09647	3.8
125.13281	2.1
131.08559	6.9
132.10184	2.3
133.10141	25.9
133.64159	1.8
135.11697	55.7
137.09616	7.3
137.13268	11.2
139.11179	8.2
145.10144	14.8
146.11780	2.2
147.11690	18.6
149.13260	22.1
151.11209	9.6
153.01825	4.0
153.12746	5.4
157.10107	4.1
159.11746	10.7
161.13257	7.9
163.11223	13.5
163.14827	5.4
165.12801	5.9
167.10696	1.9
171.11748	2.4
173.13280	7.8
175.14850	7.6
177.12756	4.3
177.16406	3.8
181.02182	1.6
181.12254	6.8
187.14812	5.1
189.16440	3.5
199.14716	2.6
200.20058	5.6
201.16370	3.1
203.17995	4.7
213.16397	5.0
215.17960	3.0
229.19524	3.0
231.17381	2.0
244.22728	13.3
269.22678	6.6
275.02209	2.4
277.24945	2.3
287.23688	17.6
305.24759	51.1
306.26450	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Caribenol B
Peak:m/z	Relative Intensity
53.03941	1.2
53.08465	0.4
55.01861	2.1
55.05515	9.0
57.03429	0.7
57.07076	0.5
58.09861	0.4
59.04987	1.2
65.03932	0.7
67.05505	7.3
69.03434	1.5
69.07068	4.1
69.14673	0.8
69.15009	4.6
70.54810	0.4
71.04993	1.0
71.08661	0.4
79.05493	11.1
81.07058	10.3
83.04983	1.4
83.08615	4.4
85.06521	0.6
91.05487	8.8
93.07041	9.1
94.04206	0.5
95.04980	3.0
95.08604	5.2
97.02792	0.5
97.06516	0.5
97.10178	4.4
98.06042	0.5
98.20717	0.9
105.07039	9.3
107.04968	4.1
107.08609	5.6
109.06474	0.7
109.10149	1.8
111.08047	0.4
113.58894	0.4
115.05442	1.1
116.06263	0.7
117.07020	4.1
119.04960	1.9
119.08585	7.3
121.06515	3.0
121.10146	2.7
123.04465	0.7
123.08073	0.8
125.09621	5.0
128.06209	1.1
129.07001	2.9
130.07762	0.7
131.08575	5.5
133.06506	3.9
133.10130	2.4
134.07224	0.5
135.08064	2.4
135.11691	1.1
137.05966	1.1
143.08594	2.4
144.09290	0.5
145.06500	0.5
145.10143	4.1
147.08057	4.6
147.11737	1.0
149.09596	2.0
149.13229	0.4
157.10135	1.8
157.12299	0.6
159.08057	1.0
159.11670	1.2
161.09676	1.9
162.10368	1.0
163.11192	1.0
171.11688	0.9
173.13356	0.5
175.11188	1.6
185.09665	0.5
185.13274	0.6
203.12851	1.2
217.12242	0.5
245.19020	0.5
255.17548	1.1
263.16382	1.0
273.18497	5.3
287.20181	0.8
305.21118	100.0
306.21442	1.0
319.19107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55211	0.3
55.05505	0.7
56.05015	0.4
57.03425	0.5
63.80490	0.3
67.05502	0.7
69.03416	0.7
69.07064	0.7
69.46169	2.0
70.06626	0.3
79.05493	0.7
81.07055	1.7
83.08582	0.3
84.03991	0.3
84.04506	7.8
85.02908	15.3
86.06068	0.7
87.04473	0.7
91.05497	0.5
93.07046	1.3
95.01347	1.7
95.04960	0.4
95.08617	0.9
98.21626	0.3
100.16358	0.3
102.05546	5.7
105.07027	0.8
107.08635	1.5
109.10195	1.4
111.08099	0.8
112.03970	1.0
113.02364	1.6
118.06544	7.9
121.10128	0.8
123.04477	0.5
123.11727	0.5
124.07545	0.5
130.05006	40.4
131.08592	0.5
132.08096	2.6
133.08907	1.4
133.10083	0.5
134.09662	0.6
135.11682	0.4
136.07587	1.8
139.11224	0.7
145.10091	0.5
146.09644	2.6
147.10486	0.4
151.36342	0.3
152.07085	0.4
153.01808	1.7
159.11638	0.4
164.07100	1.6
176.14352	100.0
177.14746	1.0
183.02899	0.3
202.15944	1.2
208.97583	0.4
216.13805	0.7
220.48122	0.3
226.98676	1.0
241.75267	0.3
252.06133	0.3
259.01321	0.9
266.85663	0.3
277.02359	0.6
287.05289	0.4
287.23926	0.4
288.15973	5.8
305.05566	2.8
305.18594	22.3
305.24747	1.2
306.18802	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64959	2.1
54.57701	2.1
55.01864	4.6
56.96571	39.8
57.03419	3.7
61.02900	4.2
68.99763	3.7
69.03429	11.5
69.07055	5.6
70.06574	6.3
71.04982	3.0
71.50932	2.8
72.43555	2.8
73.02918	2.7
73.61341	2.7
74.09354	2.4
79.05488	5.8
79.65194	2.5
81.03419	4.9
81.07059	2.5
82.99857	4.9
83.04969	2.5
84.04477	2.9
84.08147	5.3
84.96039	12.7
85.02905	18.3
86.06037	3.8
90.24419	2.5
91.05460	2.8
93.07008	3.1
95.04949	2.8
97.02903	12.1
97.06520	4.8
98.92709	2.4
98.97590	81.9
99.04458	3.9
101.00890	36.3
107.21992	2.6
108.08825	2.6
109.02901	3.7
110.97576	20.6
112.99128	7.1
113.00880	7.5
116.98631	29.1
119.01935	37.2
120.08139	2.7
121.02856	7.1
123.04434	28.8
124.07619	23.1
124.99112	2.9
125.07955	21.2
127.03915	9.3
128.98598	20.8
129.06966	2.5
129.10193	2.7
130.06538	17.3
131.00180	5.6
131.01900	19.5
132.04420	2.7
133.01741	2.7
134.99677	7.3
137.02216	11.9
140.98599	5.8
141.02286	3.7
142.08664	2.4
142.96547	2.9
143.00143	6.2
143.01909	46.3
143.03180	3.5
143.03461	3.5
143.09010	4.9
144.04718	2.5
144.98097	4.2
145.01700	3.9
145.03423	7.0
145.05008	3.3
146.06013	11.0
146.99657	9.2
149.01201	4.9
149.02327	33.3
151.03883	4.6
152.00194	2.7
153.01831	66.9
155.01878	13.1
156.04488	3.9
157.03462	5.7
158.06021	41.4
158.99666	16.2
159.03291	14.9
161.01256	7.7
161.02977	100.0
161.04903	4.9
162.55666	2.9
167.01898	5.7
167.03358	5.3
170.99670	3.7
171.02919	5.1
172.94385	3.8
173.01427	4.8
173.02969	25.5
173.07088	17.4
174.05495	4.5
175.04451	3.6
177.00706	9.3
177.04362	8.2
179.03583	3.5
179.05875	4.3
180.55112	3.3
182.01712	2.5
185.02917	15.3
185.06448	5.3
186.09508	3.5
187.04445	3.5
189.00655	4.2
190.95425	4.6
191.04001	8.1
195.02936	7.8
197.03014	13.0
201.00714	6.5
201.06433	2.4
202.98627	4.0
203.03987	30.8
203.05960	8.5
213.05513	6.8
215.03995	4.5
215.07666	7.9
219.01779	35.3
221.04903	3.1
221.06883	2.9
227.04094	3.8
231.06577	21.7
232.96439	5.5
233.05139	2.9
233.08627	5.5
237.02779	36.2
245.05028	8.2
250.97435	3.0
259.05927	26.9
263.00812	3.5
279.07623	3.6
287.05560	7.7
287.10303	3.1
305.02826	3.4
305.11932	58.3
323.10190	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	305.0657
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.02391	0.6
52.81719	0.6
53.03944	0.9
55.01866	1.7
65.03937	2.5
67.01849	2.2
67.05495	2.7
68.99791	4.5
69.03430	2.4
70.06577	1.4
71.42610	1.2
77.03928	0.7
77.36332	0.6
79.01842	0.7
79.05476	1.0
81.03424	0.8
81.07045	1.2
83.08559	0.6
85.02888	1.0
86.09712	0.8
91.05476	0.7
95.04975	4.2
95.08627	0.8
97.02917	1.6
97.06518	0.9
103.05446	0.8
104.00237	0.7
105.03384	2.6
105.04533	0.6
105.06989	0.7
105.51659	0.6
107.04946	0.9
109.02869	1.3
111.04450	5.0
121.02885	12.3
123.04436	65.7
125.02322	0.8
127.03929	2.1
129.06995	1.6
130.06587	0.7
133.02861	4.2
135.04373	3.3
137.02345	2.3
139.03888	5.3
139.05444	1.1
143.03391	0.7
143.10678	0.8
147.04431	1.4
149.02353	72.3
150.03101	2.0
151.03900	2.9
152.48643	0.7
153.01836	100.0
154.02556	0.8
157.06467	5.2
161.02350	7.8
161.06001	1.1
163.03943	1.4
165.01866	0.9
167.03418	10.3
167.04794	1.3
171.03033	0.6
175.03995	0.7
175.07578	1.7
179.03467	3.2
182.08270	0.8
185.05989	8.8
189.01770	1.2
195.02901	18.4
197.05963	1.0
203.03424	2.1
203.07057	0.7
211.08681	1.5
213.05489	12.9
217.01343	4.3
217.05000	1.4
221.04544	0.8
231.06525	46.3
234.01656	1.9
241.04922	7.2
245.00876	1.2
245.04428	1.0
245.09306	0.8
248.94490	0.7
249.03951	9.8
258.05255	2.6
259.06033	57.0
260.06339	0.9
269.04587	1.1
277.03433	1.5
287.05527	14.8
305.02829	1.0
305.06525	9.4
305.10284	0.9
305.11615	0.7
305.15387	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0658
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
51.02389	0.9
53.03940	1.0
55.01870	1.5
55.93514	1.5
58.50350	0.6
65.03943	3.8
67.01875	7.0
67.05509	1.1
68.99795	7.2
69.03429	1.9
69.07064	1.7
69.70303	3.0
69.70724	1.1
77.03913	1.0
79.05483	1.6
81.03423	2.0
85.02893	1.4
88.41121	0.7
89.03890	0.7
91.05454	0.9
91.98923	0.7
93.03426	0.9
95.04977	3.9
97.02908	1.5
98.21450	1.3
103.05464	1.0
105.03389	4.5
107.04942	1.4
109.02901	1.3
111.00810	1.7
111.04459	4.3
115.05444	0.8
116.62154	0.6
117.03394	1.0
121.02876	8.8
121.06577	0.8
123.04437	54.8
123.71030	0.7
125.09572	0.7
127.03928	11.9
129.07010	1.1
133.02872	7.1
135.04419	3.3
137.02312	2.3
139.03938	4.2
141.07005	0.7
142.08707	0.8
143.01306	0.6
143.09068	0.9
144.02269	0.8
145.06462	0.9
147.04408	2.2
147.09315	0.7
149.02354	53.9
150.03123	2.8
151.03922	5.0
153.01839	100.0
154.02522	0.9
157.06488	3.3
161.02356	16.6
161.05983	1.0
162.03041	1.0
163.03896	1.0
165.01869	0.9
167.03406	9.7
171.02892	8.1
171.04248	0.9
175.03967	2.4
175.07573	1.2
177.05592	1.0
178.02661	0.7
179.03375	4.0
181.96696	0.9
183.02879	1.4
185.05988	6.7
185.10085	1.0
189.01826	12.1
191.03397	1.6
195.02884	13.4
197.06056	0.9
203.03421	4.5
203.07039	0.8
206.02078	1.6
208.97676	1.1
213.05479	9.7
217.01335	20.6
217.04765	1.3
218.01971	1.4
219.02895	1.1
221.04529	3.1
226.98544	1.6
231.06531	40.8
234.01572	4.6
235.02393	3.4
239.98166	0.8
241.04893	5.4
245.00847	26.6
245.04568	1.6
249.03958	21.9
258.05267	2.2
259.01669	1.6
259.06039	48.3
263.02045	1.1
273.00284	3.7
273.03571	0.9
277.03445	8.6
282.02594	2.5
287.05521	16.9
287.10342	1.6
287.13797	1.1
291.01358	13.7
305.02893	18.4
305.06558	7.3
305.15417	3.3
306.02948	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01876	2.4
56.14903	1.5
56.96569	100.0
57.03441	8.1
59.94491	1.7
60.00290	1.4
61.02928	10.5
65.06816	1.9
67.01846	2.5
67.05504	3.4
68.05047	3.6
69.03433	20.1
70.06583	6.3
70.98127	35.3
71.04987	3.1
71.50279	2.0
71.50701	2.7
71.95251	5.7
72.08160	4.8
73.02921	14.5
74.97607	2.7
78.03452	1.8
79.01852	7.4
79.05504	2.8
80.05022	16.8
81.03428	9.3
81.04536	2.9
81.07043	2.0
81.93853	1.7
82.99845	3.4
83.04987	2.6
84.01619	1.5
84.04513	2.2
84.08150	8.1
84.96043	11.4
85.02909	31.8
86.09701	2.7
87.04459	3.8
88.99158	13.6
91.03933	2.6
91.05462	4.5
93.11922	1.6
95.06137	2.3
96.04453	2.2
97.02892	21.7
98.06035	2.4
98.97590	99.5
99.04434	3.0
99.05534	3.6
100.99140	4.8
101.00893	28.0
103.00611	3.2
103.02457	2.9
106.02915	7.8
107.00188	2.7
109.02858	5.7
110.97572	20.6
111.04493	2.9
112.95460	1.9
112.99135	4.6
113.00867	14.0
114.05493	3.1
115.00716	2.6
115.02409	5.8
115.03925	3.4
116.98626	43.1
117.03997	3.6
119.01923	40.4
119.04942	2.9
121.01641	2.7
121.03490	2.3
123.04447	13.0
123.05564	10.9
124.03963	30.2
124.95496	9.6
124.99112	5.0
125.02347	10.0
125.07106	4.1
126.97025	3.0
127.02438	2.3
127.03916	13.7
127.04942	3.9
128.23672	1.6
128.98615	24.0
129.00310	2.6
129.03993	3.4
129.10246	2.2
130.93279	2.6
131.00183	6.7
131.01915	28.8
131.05565	3.1
133.01674	5.2
133.03494	10.1
134.99673	16.6
137.03014	2.0
137.05942	2.9
139.03914	2.4
140.00163	1.9
140.98596	5.5
141.05505	3.2
141.06593	54.0
142.96573	8.6
143.00220	11.0
143.01903	32.1
143.03383	10.5
143.08124	14.3
144.98102	16.9
145.01678	6.5
145.03494	17.3
145.05038	3.9
146.99673	20.6
147.01408	6.2
147.04428	5.5
149.01242	3.3
149.02371	9.9
153.00603	4.5
153.01837	80.5
153.02898	4.4
154.02170	7.8
155.01907	39.7
156.06483	2.3
156.98051	6.5
157.01749	3.5
157.03470	20.8
158.99680	16.2
159.05118	4.3
160.97559	5.1
161.01231	14.0
161.02959	52.2
161.04358	3.1
161.06625	13.1
162.99179	12.3
163.02676	2.2
165.00700	10.1
167.01949	5.2
167.07010	3.1
169.03474	3.3
170.05186	3.1
170.96017	7.1
170.99677	3.5
171.02896	4.3
171.05017	4.1
172.97586	9.4
173.01291	5.1
173.02974	56.6
173.04535	2.9
173.06693	2.1
173.09204	15.7
174.99176	24.4
175.02876	2.1
175.04535	7.3
177.00749	10.2
177.02141	1.9
179.02171	3.5
179.07669	4.0
181.00157	4.3
182.03467	3.4
184.96072	2.1
184.97574	6.8
185.01180	5.0
185.02916	32.6
185.06599	5.8
185.09209	2.1
186.09521	6.3
186.99162	6.2
187.04604	9.0
188.97086	17.0
189.00714	10.7
189.02402	3.3
190.95430	4.5
190.98576	10.7
191.02257	7.1
191.03915	4.4
193.00211	27.3
197.02960	11.0
197.06505	3.6
199.04550	4.8
201.00693	7.3
201.02426	3.0
201.06102	2.8
202.06802	2.6
202.98680	10.9
203.02278	7.2
203.03987	36.0
203.05800	3.5
203.07631	11.5
205.00211	29.1
205.03741	2.4
206.04440	2.4
206.98135	7.5
207.01755	7.7
207.03471	2.6
208.04849	4.9
208.99696	2.5
209.03050	2.0
211.01157	2.2
212.02429	2.3
212.96974	2.1
214.95369	3.0
214.98674	5.0
215.03983	11.0
215.05812	2.2
215.07578	14.7
217.00253	6.3
217.05502	3.4
219.01794	12.1
220.99641	9.2
221.03201	3.7
221.05115	12.6
223.01257	32.7
223.04723	2.7
224.06400	2.2
227.04051	4.8
230.98117	13.4
231.06670	6.3
231.09454	2.3
232.96419	4.1
232.99698	7.2
233.05116	3.6
234.99043	2.5
235.01215	4.4
237.02798	9.6
239.07874	2.2
241.02350	3.9
244.99771	13.9
245.02907	2.7
245.05130	37.5
245.08829	2.9
247.01202	4.2
248.99251	5.2
259.05954	9.0
263.00797	20.7
263.06302	4.2
269.05307	2.0
273.10818	18.8
275.06244	3.3
275.09711	2.1
277.02200	1.8
277.07486	2.5
280.94821	2.9
281.01801	8.4
287.05469	4.8
293.10767	2.5
294.11188	2.7
305.01852	3.9
305.06848	8.2
305.11804	94.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01871	0.6
55.05508	0.9
56.05029	0.8
56.96573	3.5
57.03429	1.0
61.02922	1.4
67.05518	0.5
68.05034	0.9
69.03148	0.3
69.03439	3.5
69.07064	0.9
70.06596	2.4
71.04981	0.5
71.50426	0.5
72.08177	0.5
73.02920	1.1
74.06060	0.8
79.05495	4.4
80.05008	1.0
81.03398	1.1
81.05801	3.8
81.07052	4.0
82.02952	0.6
82.06596	0.8
83.04980	0.3
84.04497	0.4
84.08144	0.5
84.96005	0.6
85.02913	6.4
86.06054	0.8
86.09712	2.9
91.05489	0.5
94.06565	1.3
95.04996	0.7
96.04501	1.6
96.08140	7.6
97.02882	2.5
97.96795	0.5
98.97588	6.0
102.05566	0.4
103.61204	0.4
106.06538	0.7
107.04958	0.9
109.02908	0.8
109.05280	0.7
109.06480	0.4
110.97589	1.4
112.07617	2.2
112.99144	0.6
114.05527	1.6
116.98637	2.2
123.04501	0.7
124.07600	100.0
127.03920	1.5
128.98645	0.8
131.00198	0.5
133.02901	0.5
134.99669	0.4
142.04993	0.6
142.08646	17.8
143.00226	0.5
143.03392	0.5
143.11789	0.8
145.04956	0.6
146.38817	0.4
147.04396	0.4
149.01251	0.7
149.02347	0.7
151.03871	0.5
153.01836	2.8
158.99677	0.9
161.01231	1.0
173.01279	1.5
173.09381	0.4
177.00729	0.8
180.55202	0.4
185.09250	3.2
187.14418	0.6
189.00743	0.6
191.02335	1.1
202.02206	0.5
204.05568	0.5
207.01872	0.5
208.04921	1.3
219.01839	1.4
234.99080	0.5
237.02798	1.0
258.01199	1.1
259.06131	0.4
263.00793	0.6
276.02188	0.6
276.73282	0.4
280.07114	0.6
281.01770	1.4
286.00760	0.7
286.13907	1.7
286.16916	0.4
304.01758	5.4
304.08109	0.6
304.10968	1.3
305.12192	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	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03550	3.0
56.05041	5.7
56.96569	18.3
58.06588	4.7
60.66559	3.2
67.97868	2.8
69.03432	4.8
69.07085	3.3
69.39897	22.2
70.06593	15.2
74.06094	4.3
79.05522	4.0
81.03431	5.4
81.05837	3.4
82.06583	5.6
84.04506	7.4
84.08154	5.2
85.02888	15.2
86.06058	4.1
86.09709	21.8
96.08147	13.0
97.02879	5.6
98.97586	27.9
102.05566	4.4
106.06596	3.5
110.07166	4.1
110.97581	3.4
112.07584	4.8
114.05537	12.9
116.98615	12.1
120.08073	3.7
123.04450	8.0
124.07610	100.0
127.03921	4.0
128.98622	4.3
131.00212	5.7
141.10216	3.5
142.08640	90.9
142.09749	5.8
143.00133	4.6
149.01251	4.1
149.02342	7.6
153.01823	16.6
154.02071	3.6
171.54762	4.2
173.01166	7.7
180.55252	7.4
185.09232	28.5
187.14476	8.0
204.05832	3.6
230.01744	3.8
231.06412	3.8
237.02841	9.7
248.02783	4.0
258.01144	8.7
259.06061	5.4
263.00909	3.8
276.02097	7.3
286.00623	7.7
286.13727	12.7
304.01752	54.1
304.10971	7.7
304.13992	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19095	1.5
53.46925	1.8
55.01875	2.4
57.03428	5.7
58.06578	2.8
60.04511	8.1
61.02925	4.0
68.10200	1.9
69.03427	17.8
69.07072	53.7
70.06579	5.2
71.08633	18.0
71.51128	2.5
73.02919	3.5
77.03946	1.9
79.05489	4.9
81.03416	10.8
84.04510	4.7
84.08138	3.7
85.02909	78.3
86.02427	7.2
86.06073	2.5
86.09687	2.7
94.06543	3.5
95.54630	1.7
96.08101	1.6
97.02307	2.5
97.02900	48.9
97.06526	6.3
99.04434	2.9
103.03915	6.3
105.03403	3.1
109.02888	16.1
110.07172	5.0
114.05531	1.8
114.09168	19.3
115.03908	2.2
119.08510	1.8
120.08099	1.7
121.02872	2.4
123.04417	7.9
124.07600	4.2
126.05515	2.9
127.03920	19.4
130.06531	3.9
133.02832	3.8
136.07555	1.7
136.84798	1.7
137.02386	1.9
138.09158	2.5
142.08643	100.0
145.04990	7.2
146.06007	2.7
149.02357	8.9
153.01830	14.6
156.07700	2.2
156.10257	4.4
161.02351	14.4
161.25868	1.9
163.03946	2.6
166.08652	2.9
167.07016	2.0
183.08060	2.7
184.09700	93.9
185.06059	1.8
189.01872	10.9
194.07281	5.1
201.79266	1.9
208.09683	20.6
211.07559	3.5
217.01366	21.6
220.09743	3.2
221.04480	4.5
222.09132	2.0
223.07532	18.7
230.01736	2.4
230.05103	2.0
231.06520	6.3
234.01575	4.3
235.02315	3.1
238.08038	1.8
238.10568	2.7
241.08392	2.9
245.00832	31.8
248.02663	2.0
249.04005	19.9
249.92685	1.9
250.10860	10.7
255.08537	2.0
258.01270	5.1
259.01263	2.8
259.06009	6.9
268.09705	8.1
273.00198	2.3
276.02298	3.5
277.03418	8.3
286.00653	3.1
286.12341	5.5
291.01434	15.1
292.23792	2.1
304.01666	26.7
304.05316	23.1
304.08786	3.4
304.13727	6.4
304.16754	2.8
305.02914	17.8
305.15579	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	303.9827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57912	0.4
51.60075	0.3
56.96564	2.8
57.25924	0.3
60.51247	0.3
61.02924	0.4
71.49583	0.4
71.95249	0.8
81.03423	0.5
97.02886	0.7
98.97598	8.9
99.97893	0.4
101.00906	2.5
102.00916	0.4
102.96851	1.1
103.00656	0.5
107.51698	0.3
109.51193	0.3
116.98630	4.9
117.98984	0.4
119.01933	5.0
120.02057	0.4
121.01733	0.4
122.97881	0.4
127.50071	0.3
134.99712	1.6
137.03041	0.5
140.98824	1.5
142.03516	0.9
142.09773	0.4
158.99904	3.0
159.99971	0.5
174.97588	0.5
177.00964	16.2
178.01050	2.5
178.94417	0.8
179.00761	0.4
181.01857	0.3
181.03447	1.6
182.99858	1.7
186.98093	0.4
187.48341	0.3
196.95537	1.9
199.04555	2.1
201.00932	8.5
202.94322	0.4
214.96562	14.7
217.95390	0.4
219.02026	100.0
220.02142	5.2
220.95457	1.2
221.02280	0.8
226.95616	1.0
229.46262	0.4
238.46658	0.9
238.96313	4.5
239.95523	1.9
242.03569	2.8
243.01913	0.5
244.02048	2.3
251.99341	0.4
256.97629	43.5
257.96725	6.2
258.96558	0.7
259.00085	0.4
260.11490	0.5
261.03018	1.8
262.03220	14.0
262.96460	0.7
263.02780	2.1
268.45963	0.8
269.44473	0.5
270.98712	0.6
274.94550	0.7
274.97748	2.1
275.94699	0.5
275.97809	1.3
277.95996	0.4
278.12366	1.2
278.94452	0.6
279.98337	1.1
280.97858	5.3
285.04871	0.5
289.95691	0.8
292.94766	0.6
298.98486	38.7
299.98560	0.6
306.48584	0.4
309.96231	1.3
310.46249	0.9
321.99722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0866
Annotation	3,3'-Dihydroxy-4,5,4',5'-bismethylenedioxybibenzyl
Peak:m/z	Relative Intensity
53.03942	1.3
55.01870	4.0
65.03938	1.2
67.05514	2.7
68.99791	1.8
69.03410	2.1
69.39050	0.5
69.84721	0.5
70.06599	0.8
71.17534	0.9
77.03921	1.3
79.05492	2.6
81.03403	1.7
81.07045	0.8
83.01363	0.7
83.05007	0.7
85.02895	1.7
89.03923	0.9
91.05495	4.2
91.30296	0.5
93.03405	1.1
95.04979	5.5
96.59469	0.5
97.02894	2.0
97.06531	1.0
99.91716	0.4
103.05442	0.6
105.03403	3.2
105.04543	0.5
105.06978	0.5
107.04992	2.4
109.02876	2.2
111.04450	1.9
115.05472	0.6
117.03410	0.8
119.04948	10.7
121.02888	1.3
123.04434	55.5
127.03919	1.6
129.07048	0.7
131.04916	0.8
133.06444	0.5
135.04419	5.0
137.02310	1.8
137.05994	1.7
139.03912	18.1
141.05431	0.7
143.04900	1.4
145.02887	3.0
145.06561	0.5
147.04417	27.2
149.06004	0.6
151.03911	100.0
153.01820	1.9
153.05487	3.8
153.06703	0.6
157.02881	0.6
161.05991	5.0
162.67464	0.5
163.03896	7.6
165.05492	11.9
165.06906	1.1
169.06488	0.6
173.02370	3.7
173.05968	4.9
175.03960	2.7
175.07523	0.9
177.05464	0.7
179.03410	1.7
179.06993	2.5
181.04956	8.7
183.00687	0.9
183.08194	1.3
187.03862	0.5
189.05527	1.5
191.03461	2.7
193.04973	6.5
196.10004	1.8
197.05995	1.6
201.01866	8.8
201.05377	0.8
203.03432	0.8
206.08371	3.1
207.06502	4.5
211.07516	1.1
211.12399	1.1
213.01834	1.1
215.07056	1.4
217.01430	0.8
217.08586	2.4
219.02899	1.9
221.10699	0.9
223.08727	1.0
224.09442	1.1
225.05315	0.6
229.01329	7.2
231.02882	1.7
237.10077	0.7
238.11011	1.0
239.06911	1.2
239.11743	2.8
241.01233	0.8
241.09694	0.6
243.06564	1.2
247.02396	7.1
257.00824	17.1
257.08096	0.9
257.12817	0.6
259.02417	1.9
267.06476	1.3
267.11316	5.5
271.09811	0.8
274.98816	0.5
275.01877	14.0
285.00351	10.1
285.07590	5.9
285.12314	7.4
303.01382	80.9
303.04660	2.9
303.08609	45.0
303.13684	6.5
304.01703	1.5
304.08911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45124	2.6
53.09381	2.5
55.01873	4.9
55.05504	4.0
56.96569	42.5
57.03420	12.6
61.02935	21.1
63.57164	2.8
67.05526	2.8
69.03426	25.3
69.84390	6.7
69.84776	7.4
70.06582	7.2
70.98118	4.9
71.05001	4.0
73.02912	12.8
81.03412	10.8
84.08144	6.2
84.96022	7.1
85.02919	48.9
86.09703	5.7
87.04464	5.2
91.03929	4.1
91.85441	3.5
96.37074	2.8
97.02924	16.6
98.97591	100.0
99.04464	6.2
101.00841	4.5
109.02842	4.8
109.13354	2.7
110.01269	6.4
110.07155	10.1
110.97565	17.9
112.99140	4.2
115.02380	3.3
116.98628	24.2
117.13210	2.9
119.01855	19.6
119.04923	3.4
123.04544	4.6
123.05551	36.4
124.95470	5.7
124.99098	4.5
127.03919	11.8
128.02319	10.5
128.98592	10.6
131.01852	8.2
133.03439	4.8
134.99609	3.7
136.99098	9.1
137.02925	3.2
137.05934	3.1
140.08203	3.5
140.98529	3.5
141.06563	6.6
143.00136	6.7
143.01842	6.7
144.98119	3.6
145.01717	3.3
145.03401	5.0
145.04968	5.3
146.99638	6.2
147.04343	2.9
151.03885	5.6
153.01862	24.9
155.00169	14.8
155.01822	3.3
158.99658	38.2
161.02745	4.3
168.01697	4.2
170.99640	7.9
173.01189	7.1
173.02831	6.9
174.01776	3.4
174.99097	5.9
177.00764	18.9
177.02109	4.6
177.04123	3.6
180.98070	5.8
182.03389	5.5
183.02281	8.0
186.99178	5.6
188.97108	3.4
189.00685	8.7
191.03851	12.0
192.02843	4.0
198.99190	6.8
200.04393	6.1
200.98401	3.7
201.00600	4.8
201.02339	3.1
203.04016	3.7
204.02806	15.2
205.00134	7.0
207.01604	3.7
213.03421	29.6
217.00241	5.0
219.01756	11.7
221.05070	4.9
222.03899	10.3
223.01161	4.3
230.98177	5.1
232.99730	3.8
235.01305	3.9
237.02852	9.5
257.00757	8.5
263.00671	6.8
267.04004	3.8
273.08267	6.2
275.01813	8.2
285.00229	9.2
287.64545	2.9
303.01334	61.6
303.10846	36.8
305.01709	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	303.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	31.2
61.03283	10.4
62.03273	11.0
69.03438	25.4
69.71961	46.9
73.30254	10.9
84.62598	14.0
85.02914	47.1
97.02901	15.8
98.97598	26.3
110.97625	16.2
123.04446	16.0
131.01892	17.3
141.06596	55.0
141.08615	14.3
151.03923	22.7
158.99745	13.4
170.99625	12.9
191.03941	14.4
212.61528	12.6
213.03371	21.8
222.03946	16.0
224.35538	12.9
272.88339	13.3
303.07965	38.7
303.10510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	15.9
59.71531	2.4
61.02905	2.8
69.03435	6.7
70.92294	3.8
70.92616	3.3
73.02913	3.2
75.40808	2.1
84.04491	2.9
85.02900	12.1
92.92400	2.8
97.02901	3.8
97.55792	2.2
98.97590	100.0
99.04443	2.7
110.07162	10.0
110.97617	6.6
116.98622	22.9
123.04405	5.1
127.03945	4.4
128.98599	4.3
134.99675	2.7
136.99101	3.0
143.01923	2.6
151.03918	5.7
153.01811	7.9
158.99678	42.7
161.02913	2.9
177.00719	20.1
213.03381	4.9
219.01802	15.5
237.02832	2.7
237.31912	2.7
257.01010	2.7
303.01266	11.9
303.08475	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	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49125	0.2
55.01863	0.5
65.03930	0.7
67.01859	0.5
68.99800	2.7
70.85914	0.6
79.79095	0.2
79.80775	0.2
80.02965	0.2
81.03411	1.0
88.43008	0.2
93.03400	1.0
95.04967	1.0
105.03391	0.3
107.04948	0.4
109.02880	1.4
110.03702	0.2
111.00809	2.6
115.05530	0.2
117.07015	0.3
121.02875	2.3
122.71404	0.2
123.04432	0.8
127.03886	0.4
131.04948	0.6
133.43622	0.2
135.04393	0.4
137.02356	9.2
137.03407	0.7
137.05984	0.3
139.91344	0.2
145.06503	0.8
147.04413	0.3
149.02351	0.9
153.01845	12.3
155.04938	1.5
159.04434	0.4
161.05988	1.1
163.03899	1.5
165.01843	4.3
166.02705	0.5
173.05998	1.8
177.01753	0.4
177.05470	0.5
179.03328	0.6
183.02893	1.4
183.04445	1.3
187.03979	1.3
191.03357	0.5
195.02979	0.4
201.05486	5.0
205.04924	0.5
211.03926	0.3
213.05630	0.4
219.02876	0.4
219.06537	0.6
228.04189	1.0
229.04979	10.4
233.04294	0.3
239.03441	0.5
243.02988	0.4
247.06042	1.5
257.04468	5.3
257.07651	0.3
257.08212	0.3
274.04651	1.5
275.05511	0.3
285.03958	2.6
293.08069	0.2
303.05011	100.0
304.05374	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	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57632	0.2
55.01857	0.6
64.42375	0.2
65.03920	0.6
67.05491	0.4
68.99794	2.3
70.05772	0.7
70.06156	0.5
81.03400	0.7
85.27012	0.2
93.03386	0.6
95.04948	0.8
103.05466	0.2
109.02888	1.1
111.00799	2.1
117.07001	0.7
121.02883	2.3
123.04414	0.5
127.03976	0.3
131.04895	0.4
135.04387	0.5
137.02359	7.2
137.03430	0.8
143.49626	0.2
145.06512	0.7
149.02351	0.8
153.01831	10.6
155.04968	1.2
159.04410	0.4
161.05965	0.6
163.03917	1.2
165.01843	3.6
166.02617	0.6
173.06017	1.8
179.03378	0.7
183.02861	1.2
183.04422	1.2
187.03934	1.3
191.03419	0.3
195.02866	0.7
201.05469	4.3
205.04936	0.4
211.03899	0.3
213.05511	0.3
219.03036	0.3
219.06549	0.7
225.88509	0.2
228.04236	0.4
229.04971	9.2
239.03503	0.4
247.05968	1.4
257.04446	4.7
274.04745	1.2
285.03979	2.3
303.04999	100.0
304.05219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
55.01880	0.3
60.95425	0.2
65.03942	0.4
67.01859	0.4
68.99798	2.6
69.15617	1.9
69.16020	0.8
71.20452	0.2
81.03415	0.7
93.03392	0.5
95.04968	0.8
98.21475	0.4
105.03383	0.3
107.04939	0.3
109.02899	1.2
111.00801	1.9
117.07003	0.4
121.02866	2.2
123.04434	0.8
127.03884	0.3
131.04932	0.6
137.02364	7.9
137.03419	0.6
145.02856	0.3
145.06482	0.8
149.02354	1.0
153.00578	0.5
153.01836	10.9
155.04903	0.9
155.06050	0.3
159.04446	0.3
161.05980	0.6
163.03911	1.3
165.01840	4.2
166.02626	0.6
173.05983	1.7
177.01875	0.4
177.05469	0.3
179.03439	0.4
183.02901	1.8
183.04439	1.1
187.03900	1.0
191.03322	0.3
195.02956	0.3
201.05467	4.9
205.04990	0.6
213.05551	0.4
219.03011	0.3
219.06583	0.5
228.04330	0.6
229.04976	9.4
232.03641	0.3
239.03363	0.5
247.06030	1.5
257.04453	5.0
274.04770	1.5
275.05573	0.4
285.03992	2.4
303.05002	100.0
303.81570	0.2
304.05377	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01864	0.6
65.03938	0.8
67.01859	0.6
67.05491	0.2
68.99789	2.7
69.03455	0.3
70.66049	0.7
71.01341	0.2
81.03410	0.8
82.45462	0.2
93.03400	0.8
95.04949	0.7
98.20779	0.3
105.03394	0.3
107.04946	0.3
107.92082	0.2
109.02876	1.1
110.03687	0.3
111.00800	2.1
115.05429	0.3
117.07013	0.3
121.02887	2.4
123.04450	0.9
127.03873	0.3
131.04929	0.5
133.06578	0.2
135.04443	0.6
137.02356	8.4
137.03410	0.7
145.06479	0.8
149.02348	0.9
153.01842	12.0
155.04900	1.2
155.06068	0.3
159.04431	0.6
161.06007	0.9
161.96843	0.2
163.03935	1.3
165.01859	4.7
166.02612	0.6
173.06003	1.7
177.01883	0.5
177.05600	0.2
179.03438	0.5
183.02907	1.5
183.04463	0.9
187.03960	1.3
191.03452	0.4
195.02844	0.6
201.05487	5.1
205.04948	0.6
207.02803	0.3
211.03883	0.7
213.05484	0.5
215.03474	0.3
219.03046	0.5
219.06555	0.5
228.04134	0.6
229.04973	10.4
239.03491	0.4
247.06090	1.9
257.04468	5.1
267.02856	0.2
274.04739	1.5
275.05371	0.3
285.03964	2.5
303.05011	100.0
304.05322	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.68036	0.2
53.03925	0.2
55.05516	0.2
56.43027	0.2
65.03942	0.6
67.01864	0.5
67.05495	0.6
68.99791	2.3
69.03413	0.3
69.07055	0.2
71.12136	0.5
71.19537	0.2
75.19227	0.2
79.05486	0.4
81.03410	0.9
81.07052	0.7
83.08643	0.2
93.03411	0.7
93.07040	0.6
95.04980	1.2
95.08607	0.4
105.07034	0.6
107.04971	0.2
107.08597	0.4
108.60914	0.2
109.02890	0.9
109.10175	0.3
111.00818	2.5
115.05434	0.3
117.07013	0.6
119.08633	0.5
121.02868	2.4
121.10147	0.3
122.39219	0.2
123.04435	0.9
126.99106	0.2
127.03925	0.4
128.06190	0.2
129.06987	0.4
129.36464	0.2
131.04927	0.6
133.02852	0.2
133.10110	0.4
135.04408	0.6
135.11739	0.2
137.02350	7.5
137.03407	0.4
138.05484	0.3
145.02872	0.2
145.06491	0.7
145.10109	0.3
147.11708	0.6
149.02339	0.8
153.01831	11.2
155.04897	1.2
155.06047	0.3
157.06488	0.2
157.10165	0.3
159.11719	0.4
161.05951	1.0
163.03928	1.3
163.07477	0.2
165.01845	3.7
165.12839	0.3
166.02599	0.5
166.04999	0.4
172.17752	0.2
173.05959	1.3
177.01784	0.3
177.05504	0.3
179.03470	0.3
183.02885	1.3
183.04440	0.9
184.05197	0.2
187.03957	0.9
191.03371	0.5
191.07085	0.2
195.02893	0.6
201.05481	4.7
205.04849	0.5
211.03815	0.3
219.02950	0.4
219.06564	0.7
219.85727	0.2
228.04156	0.8
229.04973	9.7
230.05429	0.3
232.03642	0.3
239.03456	0.6
246.05180	0.3
247.06071	1.2
257.04449	5.8
274.04691	1.4
275.05396	0.4
285.03952	2.8
286.04495	0.3
303.04999	100.0
303.22827	1.0
304.05447	2.1
310.21774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.72042	0.2
53.03955	0.3
55.01864	0.4
65.03930	0.7
67.01852	0.6
68.34413	0.2
68.99800	2.9
69.03425	0.3
69.17348	1.8
69.17761	0.7
81.03420	0.9
89.24697	0.2
92.70572	0.2
93.03403	0.8
95.04957	1.0
98.21517	0.4
103.05470	0.3
109.02896	1.3
111.00806	2.5
117.07043	0.3
121.02888	3.1
123.04442	0.8
129.06950	0.3
131.04973	0.5
135.04388	0.5
137.02371	7.5
137.03441	0.8
145.02921	0.4
145.06499	1.0
149.02345	0.8
153.01843	11.9
155.04984	1.4
155.06013	0.3
157.06467	0.3
159.04404	0.5
161.06027	0.5
163.03903	1.1
165.01854	4.3
166.02631	0.5
173.06003	1.7
177.02057	0.3
177.05434	0.3
179.03424	0.5
183.03098	1.6
183.04454	1.5
187.03914	1.2
191.03340	0.4
195.02954	0.7
201.05476	5.0
205.05025	0.6
207.02875	0.3
211.03838	0.4
213.05643	0.4
219.02872	0.2
219.06487	0.7
228.04181	0.8
229.04984	10.0
239.03453	0.3
247.06067	1.5
257.04459	4.3
274.04834	1.0
285.04041	1.8
286.04568	0.2
303.05017	100.0
304.05353	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56990	0.5
56.96562	1.3
63.47227	0.4
67.67039	0.4
70.14977	1.8
70.15310	0.4
82.99885	0.7
98.20780	0.4
98.97590	8.0
101.00899	3.8
116.98619	3.5
118.98280	0.4
119.01933	5.0
129.86711	0.4
133.14661	0.4
134.99710	1.3
137.02960	0.8
139.08415	0.5
140.98830	0.6
158.99913	2.5
177.00980	12.3
178.01123	0.5
179.00726	0.9
182.99908	1.4
201.00923	3.6
217.04132	2.4
219.02029	19.1
220.02083	2.1
221.01834	2.3
225.00856	2.5
234.99963	0.4
242.99315	0.6
243.02011	11.6
244.02177	1.2
258.99905	0.5
261.03085	100.0
262.03165	8.8
263.03076	0.9
279.00674	2.3
279.98175	1.6
282.99976	2.2
284.04654	1.6
284.99896	4.0
301.01062	1.6
303.00894	4.1
303.05106	2.8
320.97906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0136
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
55.01858	0.3
57.03432	0.2
57.64580	0.2
67.05511	0.3
68.99786	0.7
69.07067	0.3
72.08175	0.3
79.05491	0.5
80.13454	0.2
81.07076	0.6
89.03924	0.4
91.05489	1.0
93.07049	0.5
94.60522	0.3
95.04993	0.8
95.08620	0.6
103.05473	0.4
105.07029	0.6
106.54236	0.2
107.04967	0.4
109.02888	0.4
111.00797	0.9
117.03391	0.9
119.04984	0.4
121.02888	1.1
121.10137	0.3
123.04439	0.8
128.06244	0.3
129.03369	0.3
133.10150	0.3
135.04425	0.5
137.02354	2.5
137.03352	0.4
137.05969	0.3
145.02837	1.9
145.06548	0.5
147.04431	1.9
147.11749	0.3
149.02414	0.4
151.03920	0.9
153.01839	4.4
153.03004	0.4
153.05487	0.9
157.02859	1.2
157.36610	0.3
162.05530	0.3
163.03967	1.5
165.01884	1.4
173.02357	4.6
173.05984	0.4
175.03932	1.2
183.00771	0.8
183.02840	0.3
183.04384	0.4
183.08119	0.3
185.02351	1.1
187.03912	0.3
191.03410	1.9
201.01839	11.2
201.05450	1.5
202.02245	0.3
203.03436	2.1
204.06560	0.5
206.08469	0.3
207.02950	0.4
211.00220	0.3
213.01874	1.5
217.01381	0.5
219.02930	1.6
229.01349	9.0
229.04901	3.6
231.02925	2.1
239.03519	0.3
241.01350	1.0
247.02399	7.2
247.06068	0.4
257.00824	20.5
257.04349	1.5
258.01364	0.3
259.02399	2.5
267.11401	0.6
274.04703	0.6
275.01849	15.5
278.88791	0.2
285.00348	14.3
285.03760	0.8
285.12317	0.9
286.01071	0.4
303.01385	100.0
303.05008	37.3
303.23041	0.6
304.01730	1.8
304.05161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06670	6.0
52.17601	5.9
55.01859	5.7
67.05502	14.0
69.03397	6.0
69.75426	13.3
69.75832	21.9
70.06599	62.6
72.08156	16.5
79.05480	7.8
81.03423	9.2
81.07093	10.4
85.02911	95.3
91.05494	12.5
97.02911	39.9
103.03972	6.9
108.08094	21.0
109.02885	20.4
112.07626	36.0
122.06075	10.2
126.05524	10.3
127.03890	17.8
136.07562	25.3
140.07076	56.1
143.11748	11.1
145.04968	8.9
150.09067	11.4
152.07053	27.2
160.88103	6.7
164.07068	20.2
178.08612	22.6
182.08150	100.0
201.01797	6.3
206.08139	33.5
218.08110	7.2
248.09064	11.3
257.00891	11.4
275.01794	6.7
303.01321	54.3
303.04871	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64301	5.1
53.03929	6.3
55.05500	13.8
56.24687	4.5
57.03434	6.3
61.02928	8.4
62.52158	4.3
67.05499	11.4
69.03426	21.8
69.07062	5.3
69.20397	6.6
69.20802	41.2
70.06598	56.7
71.04978	5.3
72.08160	86.9
79.05492	11.6
81.03423	13.1
81.07051	13.6
84.08144	4.6
85.02427	8.5
85.02914	99.0
86.09727	22.6
91.05486	8.5
94.06517	4.7
95.04971	8.2
95.08576	4.7
97.02895	43.2
98.20800	9.4
99.04475	4.3
108.08128	19.2
109.02890	14.3
112.07594	31.3
122.06024	16.1
126.05527	9.8
127.03912	19.2
130.06523	6.5
132.10210	5.6
136.07588	22.7
140.07068	68.7
143.11812	61.1
145.04953	12.7
150.09088	6.6
152.07072	29.3
152.08141	5.9
154.08672	7.2
157.13367	7.1
158.12708	4.9
164.07082	22.2
171.11296	22.5
178.08624	19.9
182.08147	100.0
206.08141	43.2
211.07590	5.4
212.80692	4.5
218.08069	7.5
248.09200	7.6
257.00772	5.9
285.00360	5.2
302.11560	10.5
302.14584	5.5
303.01364	42.8
303.05011	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
57.03421	3.7
59.92184	1.7
61.02905	2.0
64.16948	1.6
65.03935	3.1
67.05508	36.7
69.03434	16.9
69.07063	8.1
69.91144	2.7
69.91554	4.4
70.06580	3.9
81.03410	4.2
84.04509	1.6
84.08150	2.2
85.02908	42.0
92.59122	1.2
94.06564	2.3
95.04975	54.6
97.02895	39.3
99.04452	1.9
103.03931	3.8
109.02895	10.6
112.07613	35.3
113.06007	4.1
122.05993	1.7
123.04461	1.9
124.07634	2.9
127.03913	9.6
136.07547	4.0
140.07068	100.0
152.07123	1.9
153.05431	1.5
154.08624	8.2
174.52106	1.4
178.08647	3.6
182.08141	64.7
193.53195	1.3
206.08139	15.8
217.07994	1.2
218.08229	3.4
218.85629	1.3
236.09166	3.0
248.09187	7.7
255.14383	1.2
271.01743	1.3
302.11630	4.5
303.01462	6.7
303.04562	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	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51963	0.6
52.68165	0.6
53.03960	1.0
65.57957	0.6
68.02055	0.6
69.03448	1.4
69.07082	1.3
69.62083	3.0
70.06598	100.0
70.76060	0.7
72.08168	7.4
73.02927	1.0
77.16752	0.6
81.03437	1.7
81.04533	1.0
84.08157	1.6
85.02936	1.6
86.09708	3.4
87.30524	0.8
93.07050	0.7
97.02884	1.5
98.21456	1.3
109.02856	1.2
112.07613	71.6
113.07951	0.6
127.03944	1.5
130.06567	2.8
131.06950	0.8
136.78337	0.8
140.07080	20.7
140.08089	1.5
141.07426	0.7
143.11823	4.9
144.08128	1.2
145.08528	0.8
158.08142	8.0
159.10097	2.0
161.11545	0.8
171.11336	1.7
182.08121	1.1
185.08037	0.9
204.08469	0.8
212.09291	2.9
230.10301	1.1
240.15955	1.1
250.12885	0.8
251.80014	0.7
258.13287	0.9
284.11401	2.3
284.15109	0.7
302.12521	1.2
302.15781	8.6
303.01468	3.8
303.05148	1.9
303.13315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
55.01871	38.5
55.05272	2.9
55.05516	42.1
55.05771	1.4
57.03441	63.6
59.05004	2.6
61.02921	2.0
67.05510	55.6
69.03425	8.4
69.07068	19.5
70.00531	4.1
70.00919	4.2
71.01348	1.8
71.04985	6.2
73.02924	18.8
76.13960	1.6
76.29958	1.9
77.44132	1.6
79.05074	2.9
79.05499	46.6
81.03434	10.2
81.07066	38.5
82.04190	8.3
82.51322	1.8
83.01331	2.0
83.04988	28.9
83.08618	13.5
85.02904	5.1
85.06524	2.2
87.04491	2.9
91.05483	27.7
93.07045	33.0
93.07623	2.2
95.04955	16.7
95.08616	14.5
97.02880	4.0
97.06537	12.8
97.10175	28.4
98.07318	12.2
99.08070	2.1
100.57362	1.8
101.06017	3.8
105.07053	17.3
107.04973	10.5
107.08611	25.8
109.06533	6.4
109.10159	17.2
111.04402	3.7
111.08090	7.4
115.07532	2.3
116.04718	45.7
117.07006	8.2
119.08585	18.1
119.24641	2.3
121.06496	5.9
121.10153	11.9
123.08064	8.8
125.09637	25.3
126.10399	2.2
129.05490	100.0
129.07011	7.0
131.08546	8.3
133.10164	12.4
135.08055	8.8
135.11700	9.6
137.09624	8.4
143.07057	18.7
143.08662	2.4
145.06505	2.7
145.10121	8.1
147.08052	5.9
147.11700	9.0
149.09618	4.9
153.09175	2.3
153.12770	3.1
154.41219	2.3
157.08629	43.8
157.10065	6.5
161.09668	3.0
161.13318	3.3
163.11179	12.3
165.12781	2.9
171.10153	17.1
173.09628	4.2
175.11203	4.1
181.12315	5.2
185.11745	4.0
189.11238	24.1
191.10680	2.1
191.14262	10.3
193.12236	4.3
199.13286	10.4
200.14127	8.8
209.11736	5.9
227.12767	15.9
228.13490	2.3
301.16580	53.1
301.21652	8.5
301.25262	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06814	4.0
53.03938	11.5
55.01866	17.0
55.05516	42.2
57.03441	51.3
57.07072	4.6
65.03927	8.4
67.05512	100.0
68.61973	4.3
69.07063	14.4
71.04968	8.6
77.93488	4.0
79.05495	93.9
81.03410	16.7
81.07062	70.9
83.04987	35.1
83.08627	15.0
85.02914	10.7
85.06521	13.9
91.05481	45.6
91.13647	4.4
92.93049	4.6
93.07052	85.4
95.04967	21.6
95.08595	27.0
97.06536	24.6
97.10154	16.2
99.04435	6.5
105.07027	18.8
107.04971	55.6
107.08591	37.9
109.06542	5.0
109.10155	21.4
111.04448	43.8
111.08083	9.5
117.07013	25.6
119.08586	30.2
121.06483	5.8
121.10152	68.5
123.08044	10.5
125.09599	9.9
129.05537	6.4
129.06970	6.0
131.04965	6.6
131.08557	17.8
135.11690	46.7
143.08566	7.7
145.06509	10.2
145.10136	61.2
147.08064	8.4
149.09653	12.3
151.80621	4.9
153.12695	21.1
155.08546	16.5
161.09535	5.6
163.11185	86.5
173.09630	41.9
181.12270	30.9
191.10652	38.4
209.11699	20.3
227.12758	20.6
228.96313	5.3
257.13803	6.5
283.15359	12.4
301.07327	4.8
301.16534	84.8
301.25049	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	301.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01874	37.2
55.05515	44.1
57.03442	66.9
57.44139	1.4
57.63514	1.3
60.02144	1.4
61.02931	3.1
65.03936	1.6
67.05512	38.0
69.03428	7.5
69.07071	15.3
70.04210	2.5
71.01329	1.3
71.04979	3.9
73.02922	19.3
79.05498	39.2
81.03427	9.1
81.07064	29.6
82.04201	9.9
83.04984	23.0
83.08620	13.9
84.05779	1.7
85.02911	3.0
85.06551	2.5
87.04465	3.6
91.05482	23.2
93.07056	23.2
94.07823	1.3
95.04978	16.1
95.08600	10.4
97.02898	4.6
97.06539	12.4
97.10177	27.2
98.07321	15.2
99.04520	1.2
101.06017	3.5
105.04515	1.3
105.07037	14.2
107.04966	6.2
107.08600	16.5
109.06521	5.4
109.10171	9.0
110.07263	1.3
111.04476	3.1
111.08092	4.5
113.06015	2.0
115.07578	2.1
116.04717	42.8
117.07029	4.4
119.08599	13.5
120.09353	1.5
121.06526	2.3
121.10141	9.3
123.08083	7.3
125.06014	1.8
125.09650	27.1
126.10423	3.1
129.05484	100.0
129.07047	5.1
130.07825	1.5
131.08566	8.7
133.10127	9.7
135.08073	5.3
135.11662	7.4
136.08849	2.6
137.09572	1.5
143.07042	28.1
145.10165	5.6
147.08067	2.2
147.11739	6.0
149.09720	3.4
153.09169	2.6
155.07066	1.5
157.08621	46.3
157.10094	5.9
163.11209	6.3
164.12061	2.2
165.12874	2.5
171.10178	17.5
171.11493	1.8
173.11749	1.4
175.11250	4.3
181.10771	1.3
181.12296	4.3
185.11774	5.1
189.05577	1.8
189.11226	33.9
191.10608	2.1
193.12303	4.2
199.13316	8.4
200.14090	11.2
209.11795	3.0
210.12617	2.1
213.14636	1.5
227.12834	13.7
255.16046	2.0
258.65759	1.3
273.14728	1.5
301.07095	2.4
301.16553	53.0
301.21707	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54887	1.6
51.78741	1.6
53.03951	4.9
55.01876	40.5
55.05516	42.8
57.03441	65.9
59.05015	3.2
67.05508	48.4
69.03434	8.4
69.07075	13.8
69.33240	16.7
71.04990	7.9
73.02921	19.8
78.98875	1.7
79.05066	3.6
79.05498	47.3
81.03436	10.8
81.07060	41.0
82.04200	6.8
83.04989	24.4
83.08634	13.2
83.14751	1.9
85.02912	4.5
85.06554	2.7
87.04468	4.4
91.05482	27.8
93.07052	33.0
95.04983	16.9
95.08607	13.9
96.05745	2.7
97.02917	5.1
97.06544	12.9
97.10165	26.1
98.07336	11.1
99.08167	2.1
101.06054	4.5
105.07037	14.2
107.04958	6.7
107.08589	26.3
109.06510	2.6
109.10137	10.9
111.04440	7.9
111.08076	6.1
115.05499	2.4
116.04718	38.5
117.07014	6.9
119.08585	12.8
121.06548	3.1
121.10172	12.6
123.08083	5.9
123.11708	3.0
125.09640	26.6
129.05489	100.0
129.07027	5.4
131.08589	11.0
133.10170	11.4
135.08101	5.2
135.11703	9.6
137.09596	3.6
139.11130	2.5
143.07056	19.9
145.10156	8.7
147.11711	6.9
149.09599	3.4
153.12856	2.6
157.08623	36.0
157.09995	4.2
163.11163	9.3
164.11940	2.3
165.12761	2.1
171.10207	14.9
173.09607	2.8
175.11201	3.8
181.12299	3.4
185.11728	4.9
189.05545	2.2
189.11221	29.3
189.12782	3.0
190.32884	2.0
190.52884	1.9
191.10692	4.2
193.12302	3.0
199.13309	11.1
200.14047	8.7
209.11777	7.7
210.12491	2.0
227.12732	10.5
255.16101	2.7
258.05460	1.9
283.15573	2.8
283.20435	2.0
298.68387	2.0
301.07245	2.4
301.16513	55.3
301.21725	4.5
301.25336	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01844	0.8
55.05510	1.3
55.48994	0.2
57.03411	0.6
65.03940	1.3
65.15950	0.2
67.01845	0.4
67.05505	2.7
68.99756	0.7
69.03401	0.7
69.07037	0.9
70.06564	0.3
70.66486	0.3
70.66809	0.4
71.04964	0.7
79.05492	1.9
81.03401	0.6
81.07069	2.6
83.04952	0.6
85.06505	0.3
90.81714	0.2
91.05493	2.1
92.05019	1.1
93.06561	0.2
93.07047	2.5
94.06560	0.3
95.04973	1.7
95.08604	1.5
97.06541	0.5
97.10215	0.2
103.05450	0.5
105.03374	0.6
105.07044	1.8
106.06546	0.3
107.04961	4.7
107.08611	1.8
108.08086	0.3
109.02871	0.3
109.06522	0.4
109.10164	1.4
110.06030	0.3
111.04415	0.7
111.08079	0.3
115.05422	0.7
117.06970	0.6
118.04235	0.2
118.06506	0.3
119.04926	0.5
119.08598	1.5
120.04442	0.9
121.02882	3.6
121.03780	0.3
121.06489	0.7
121.10152	1.1
122.05995	0.7
122.61179	0.2
123.00803	0.4
123.04413	1.2
123.08004	0.3
123.11678	0.4
124.01597	1.6
125.02316	0.4
125.09651	0.3
128.06186	0.4
129.05502	0.4
129.06981	0.5
130.06537	0.4
131.04974	0.3
131.08542	1.0
132.01131	0.4
133.02821	0.5
133.10114	1.1
134.03587	0.6
134.05901	0.3
135.04414	1.3
135.08026	0.6
135.11629	0.6
136.07576	1.1
137.02380	1.0
137.05956	0.3
137.09576	0.2
139.03905	2.2
140.23904	0.2
141.06960	0.5
142.07817	0.4
143.08542	0.5
144.08078	0.5
145.06438	0.3
145.10141	1.3
146.05951	0.4
147.04393	0.6
147.08052	0.5
147.11664	0.5
148.03912	0.4
149.05992	0.3
149.09613	0.6
149.13312	0.3
151.03960	1.1
152.06178	0.5
153.01817	2.6
153.06967	0.9
154.06476	0.3
154.07732	0.3
155.07344	0.2
155.08548	0.6
156.08032	0.2
157.06419	0.3
157.08784	0.3
157.10086	0.7
158.06053	0.3
158.09705	0.3
159.08037	0.4
159.09241	0.4
159.11693	0.8
160.07550	0.3
161.05960	0.6
161.07123	0.3
161.09473	0.3
161.13245	0.3
162.05522	0.6
162.56430	0.3
163.11154	0.5
165.01855	1.3
165.06979	0.9
165.09117	0.2
167.02150	0.3
167.03423	3.6
167.07281	0.9
167.08571	0.4
168.08057	0.8
169.06450	0.4
169.07668	0.5
169.08884	0.7
169.10124	0.3
170.08340	0.8
170.09636	0.5
171.08052	0.5
171.11656	0.4
172.07529	0.7
172.11171	0.3
173.07088	0.3
173.09595	0.4
173.13347	0.3
175.11032	0.3
179.03386	1.4
181.06407	0.5
181.12373	0.2
182.06006	0.4
182.09619	1.5
183.02919	0.5
183.09256	1.1
184.05177	0.6
184.07616	0.3
184.09926	1.4
184.11263	0.8
185.05800	0.3
185.10782	0.5
186.09135	0.4
187.08734	1.2
187.11153	0.2
189.05513	0.3
194.09636	0.3
196.07588	0.7
197.04424	0.5
197.07124	1.0
197.08592	0.4
197.13246	0.4
198.07870	1.7
198.09467	0.4
199.07381	0.4
199.12343	3.1
200.10725	0.4
201.05331	0.4
201.16252	0.3
202.06239	0.3
202.09000	0.4
203.09201	0.8
209.10672	0.2
209.13354	0.2
210.09166	3.3
211.08679	3.1
212.04781	1.7
212.09285	4.6
213.05380	0.3
213.10289	2.8
213.16252	0.3
223.08728	0.3
225.06554	0.9
225.10191	0.7
226.07503	1.7
226.10930	0.4
227.06836	1.0
227.11803	13.5
228.12096	0.3
229.04984	1.9
230.05775	3.4
237.10300	1.1
238.08698	1.1
239.08145	1.3
240.04466	0.3
240.08913	6.3
241.04955	0.8
241.09773	9.1
245.08052	0.9
253.09700	0.3
254.10533	0.5
255.11298	47.8
256.11575	0.6
257.04556	1.5
257.12903	1.5
258.05249	12.6
259.05502	0.4
269.04468	0.8
272.06870	1.0
273.03940	0.3
273.07693	0.5
283.10794	14.0
283.20563	0.5
285.04025	0.4
286.04736	7.3
301.07083	100.0
301.11505	6.6
301.21384	1.6
302.07455	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0708
Annotation	Diosmetin
Peak:m/z	Relative Intensity
53.03928	0.2
55.01855	0.1
55.05500	0.2
65.03946	0.2
67.01848	0.4
67.05488	0.3
68.99818	0.2
69.07053	0.1
70.69226	0.3
72.58266	0.1
74.71744	0.1
79.05488	0.6
81.03410	0.1
81.07044	0.3
83.04967	0.1
83.08601	0.1
86.38133	0.1
90.68148	0.1
91.05454	0.3
92.29882	0.1
93.03407	0.1
93.07034	0.2
95.04980	0.8
97.63692	0.1
99.04469	0.1
103.05437	0.2
105.03393	0.7
105.07001	0.1
106.04169	0.1
107.04955	5.4
107.08600	0.2
108.05730	0.2
109.10116	0.1
111.04431	0.3
118.04148	0.6
119.04904	0.1
119.08608	0.1
121.02868	4.6
121.03876	0.2
121.10147	0.1
123.00816	0.6
123.04443	0.9
124.00687	0.1
124.01569	2.2
125.02381	0.7
128.06238	0.2
129.03313	0.1
129.06944	0.1
131.08585	0.1
133.02849	0.5
134.03619	0.7
135.04384	0.2
139.03859	0.1
141.05440	0.2
141.06937	0.1
143.08502	0.1
145.02835	0.2
145.10020	0.1
147.04376	0.6
151.03899	1.3
156.05713	0.1
157.06474	0.2
163.11191	0.1
167.03404	5.5
168.05695	0.2
169.06593	0.1
171.04358	0.2
171.08093	0.2
174.06729	0.1
179.03398	1.9
184.05147	0.7
185.05977	0.2
191.03355	0.1
196.05182	0.1
197.04434	0.6
197.06000	0.2
199.07625	0.5
201.05640	0.1
202.06346	0.1
203.03479	0.1
203.07001	0.1
212.04680	2.1
213.05363	0.2
217.08539	0.2
227.07016	1.5
229.04861	0.3
230.05733	0.3
240.04156	0.3
241.04825	0.5
245.08119	0.8
255.06483	0.8
257.04465	1.3
257.08102	0.2
258.05243	12.4
259.05624	0.2
270.72159	0.1
272.06766	1.1
273.07556	0.6
283.06021	0.2
286.04718	7.0
287.05200	0.1
301.07059	100.0
302.07382	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	301.0709
Annotation	Kaempferide
Peak:m/z	Relative Intensity
52.20116	0.2
53.03932	0.4
55.01872	1.5
55.05512	1.4
57.03442	2.1
60.48653	0.2
61.41419	0.2
67.01867	0.2
67.05508	2.0
68.99789	0.8
69.03416	0.5
69.07059	0.7
69.18541	0.2
70.12599	0.2
70.90809	0.2
70.91164	0.4
71.04987	0.5
73.02909	0.5
78.04692	0.2
79.05502	2.0
81.03404	0.6
81.07056	1.9
82.04188	0.2
83.04980	0.7
83.08620	0.7
85.01124	0.2
85.02902	0.2
85.06536	0.3
86.00647	0.5
87.02692	0.2
91.05079	0.2
91.05495	1.8
93.07053	1.6
95.04965	0.8
95.08614	0.9
97.06524	0.6
97.10165	0.7
98.07304	0.4
101.49346	0.2
105.07028	1.2
106.04182	0.3
107.04974	1.0
107.08603	1.3
108.05706	0.3
109.02910	0.3
109.06527	0.4
109.10150	0.6
111.00832	0.3
111.04458	0.2
111.08076	0.2
115.05450	0.2
116.04722	1.4
117.07033	0.4
118.02182	0.2
119.04954	0.2
119.08565	0.8
121.02842	0.3
121.06509	0.9
121.10116	0.7
123.04451	0.3
123.08053	0.5
124.01600	0.4
125.05977	0.2
125.09612	1.0
126.03156	0.2
128.06218	0.3
129.05496	3.2
129.07008	0.4
131.08565	0.7
132.01143	0.8
132.02042	0.3
133.01448	0.4
133.06525	0.2
133.10126	0.7
134.03653	0.3
135.04422	3.7
135.05458	0.4
135.08057	0.6
135.11671	0.4
137.02332	1.4
137.06026	0.2
139.03903	4.8
143.07021	0.8
143.08600	0.2
145.10132	0.6
147.04370	0.2
147.11696	0.5
149.05978	0.5
149.09637	0.3
152.01057	0.7
153.00580	0.4
153.01834	6.5
153.06969	0.3
155.08517	0.2
157.06520	0.3
157.08592	1.7
157.10091	0.5
159.04704	0.3
159.11655	0.2
160.01584	0.4
160.05087	0.5
161.05989	0.9
161.09628	0.2
163.11162	0.4
165.01828	2.5
165.07048	0.2
169.06363	0.2
170.02042	0.3
171.10190	0.4
173.13329	0.3
179.03345	0.3
181.06491	0.4
183.02872	0.9
184.05205	0.5
185.05943	0.4
187.03862	0.2
187.14850	0.3
189.11285	0.8
199.07619	0.2
199.13226	0.3
200.14050	0.4
201.05499	0.7
202.06268	0.4
202.08908	1.0
203.07498	0.2
203.09315	1.4
212.04767	0.8
212.09406	0.2
213.05396	1.1
213.16534	0.2
226.07518	0.3
226.47652	0.2
227.06921	0.4
227.12677	0.4
229.04973	6.0
229.09811	0.2
230.05751	8.6
241.04948	0.6
241.09651	0.9
242.05765	0.2
243.02795	0.3
245.08127	1.1
255.06436	0.3
255.11284	0.6
257.04507	1.7
258.05261	9.6
268.03647	0.2
269.04416	1.7
269.07300	0.2
272.06888	1.3
273.07861	0.2
283.10797	0.7
283.20499	0.3
285.03992	0.6
286.04749	6.6
301.07077	100.0
301.21368	1.1
302.07349	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	301.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01872	0.2
55.05515	0.7
57.03424	0.3
57.07077	0.1
65.03934	0.3
67.01860	0.3
67.05513	1.0
68.50826	0.1
68.99778	0.2
69.03415	0.3
69.07080	0.6
69.34362	0.4
69.34783	0.7
70.58305	0.1
71.04996	0.3
73.06512	0.1
79.05492	1.1
81.03407	0.2
81.07066	1.0
81.27397	0.1
83.04975	0.3
83.08603	0.2
91.05472	0.6
93.03377	0.2
93.07060	0.9
93.16795	0.1
95.04976	1.0
95.08617	0.8
96.24466	0.1
96.96557	0.1
97.06532	0.3
97.10169	0.2
103.05428	0.1
105.03400	0.5
105.07028	0.6
107.04955	5.5
107.08622	0.6
107.09226	0.1
108.05824	0.1
109.10161	0.6
111.04433	0.5
114.93666	0.2
116.51050	0.1
117.06997	0.2
118.04171	0.4
119.08572	0.4
121.02868	5.0
121.03879	0.3
121.06433	0.2
121.10146	0.7
121.82687	0.1
123.00790	0.7
123.04382	0.7
123.11729	0.1
124.01563	2.2
125.02363	0.8
128.06187	0.2
129.06955	0.2
131.08556	0.4
133.02837	0.4
133.10075	0.2
134.03653	0.8
135.04398	0.2
135.11687	0.5
137.02335	0.2
139.03894	0.2
141.05453	0.3
141.06963	0.1
145.06595	0.1
145.10043	0.3
147.04420	0.5
147.08107	0.2
149.09679	0.2
149.13254	0.2
151.03877	1.2
153.06964	0.1
155.08559	0.2
156.05695	0.2
157.06528	0.4
157.10214	0.2
159.11705	0.2
163.11240	0.3
167.01982	0.3
167.03407	5.6
168.05693	0.2
169.06425	0.2
171.04449	0.2
171.08022	0.2
173.13277	0.1
179.03391	2.2
181.12341	0.1
184.05202	0.8
185.06001	0.3
187.14757	0.2
195.04353	0.3
196.05128	0.2
197.04324	0.6
199.07576	0.6
203.03459	0.3
211.07637	0.2
212.04678	2.1
213.05496	0.2
217.08617	0.3
227.07024	1.6
229.05035	0.2
230.05695	0.2
240.04161	0.4
241.04936	0.5
243.06366	0.2
245.08028	0.9
255.06514	0.7
257.04428	1.7
258.05249	13.6
259.05576	0.2
272.06760	1.3
273.07520	0.5
283.06104	0.2
283.20493	0.2
286.04715	7.2
287.05261	0.2
301.07062	100.0
302.07455	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	301.0708
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
51.01313	0.2
55.05507	0.4
66.21140	0.3
67.05498	0.6
68.99770	0.3
70.06558	0.4
70.62847	0.9
76.01077	0.2
79.05481	0.4
81.07058	0.5
86.57065	0.2
89.22662	0.3
91.05460	0.5
93.07021	0.8
95.04939	0.5
95.08593	0.4
96.43831	0.3
105.06992	0.4
107.04956	0.3
115.16402	0.3
117.07015	0.3
119.08550	0.4
121.02926	0.4
121.06499	0.4
121.10136	0.4
124.01585	1.6
130.60905	0.3
131.80901	0.3
134.03641	1.6
135.04401	0.4
137.02333	0.8
149.96446	0.3
152.01086	1.7
153.01840	4.1
161.02393	0.4
163.11269	0.3
166.41933	0.3
167.03398	0.7
170.02158	0.7
177.09143	0.3
201.05470	0.4
212.09544	0.3
213.05443	0.9
227.12006	0.5
229.04979	1.8
230.05653	0.6
255.11336	1.7
257.04477	0.7
258.05267	15.0
269.04468	2.0
283.10635	0.4
285.03979	8.0
286.04745	49.3
287.05188	0.7
301.07098	100.0
301.21790	0.8
302.07492	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0709
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
51.01551	0.3
53.03919	0.5
55.01870	2.6
55.05511	4.4
55.32329	0.4
57.03438	4.1
58.11715	0.3
65.03909	0.4
67.05507	4.6
69.03407	0.9
69.07028	1.4
71.04952	1.2
73.02882	1.6
79.05502	4.4
81.03391	0.8
81.07061	4.9
82.04187	0.4
83.04990	2.3
83.08593	1.4
85.02882	0.8
85.06528	0.4
85.89710	0.4
91.05503	3.4
93.07056	4.7
95.04916	1.4
95.08607	1.8
97.02846	0.5
97.06490	1.3
97.10181	1.7
98.07267	0.6
98.20757	1.1
99.04428	0.4
104.10726	1.2
105.06978	1.5
107.04882	0.8
107.08589	2.8
109.02859	0.4
109.06508	0.8
109.10163	1.8
109.10743	0.3
111.04388	0.4
111.08054	0.8
116.04732	2.5
116.18546	0.3
117.07011	1.0
118.92015	0.3
119.08530	1.5
121.06439	0.5
121.10147	2.2
122.01453	0.4
123.08041	0.9
125.09653	1.9
129.04669	0.4
129.05499	5.9
129.06966	0.5
131.08524	1.2
133.10069	1.7
135.08011	0.6
135.11639	1.1
137.02327	0.6
137.09621	0.6
143.07004	1.4
143.08479	0.4
145.10089	1.3
147.11673	0.9
149.09586	0.7
152.06186	0.4
153.01790	1.6
153.06963	0.5
155.08519	0.4
157.08578	1.7
157.10121	1.0
159.11676	0.9
161.09674	0.4
163.11220	1.9
167.07126	0.4
171.10165	0.9
173.09615	0.4
175.11266	0.8
181.06477	0.7
181.12192	0.6
189.11212	1.2
191.10698	0.5
197.13260	0.5
199.13268	0.6
200.14093	0.5
209.11723	1.1
213.09044	0.6
226.06227	0.5
227.12769	1.5
229.05003	2.1
229.07047	0.4
241.08733	0.8
245.13852	0.7
257.04428	1.0
258.05261	46.1
259.05579	1.2
283.20480	0.6
286.04733	54.2
287.05057	1.1
301.07089	100.0
301.16443	3.5
301.21637	1.5
301.25510	0.7
302.07513	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
55.01875	3.2
55.05518	14.0
57.07076	3.0
58.99577	11.6
60.07740	2.7
67.05509	72.4
69.03415	4.6
69.07063	10.9
69.44344	19.5
70.42370	2.5
76.02226	14.6
79.05502	15.8
81.07066	50.9
83.04963	4.2
83.08618	4.7
85.01090	5.6
86.00650	10.0
86.99060	7.4
87.02670	7.5
91.05479	10.6
93.07064	14.3
95.04967	5.0
95.08617	100.0
97.06532	3.8
98.09691	4.5
104.10712	7.3
105.00117	3.2
105.07036	13.5
107.04979	3.3
107.08598	6.2
109.06505	4.2
109.10168	62.8
113.04224	5.3
113.18574	2.8
119.08581	13.2
121.10173	4.8
122.02742	32.1
123.08068	6.0
123.11739	2.8
132.01151	20.8
133.10144	3.8
135.11705	3.4
137.09605	6.3
151.14833	47.9
159.04778	14.0
161.13257	8.9
179.14336	39.8
202.08974	43.9
238.65283	2.4
258.05228	8.5
286.04703	7.4
300.05844	4.9
300.09668	3.5
300.25278	9.8
301.03583	6.2
301.07080	60.9
301.10458	4.5
317.06458	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	299.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	15.2
53.03944	6.1
55.01875	12.3
55.05517	63.7
57.03443	46.1
59.05001	9.8
64.91982	2.1
67.05509	37.0
69.03414	5.9
69.07064	7.1
71.01384	9.6
71.01687	1.9
71.04998	3.8
73.02936	3.1
79.05497	29.2
81.03421	17.8
81.07061	48.0
81.36324	1.9
83.04977	7.7
83.08151	2.6
83.08629	34.6
83.27632	1.8
85.06548	4.9
91.05489	54.4
93.07049	40.9
95.04986	10.7
95.08622	10.9
97.02874	11.8
97.06533	7.0
97.10167	4.6
98.20707	3.8
99.00821	70.6
99.04465	3.0
99.73378	1.9
102.15767	1.8
103.05473	3.8
105.06319	2.4
105.07035	42.4
107.04947	16.0
107.08620	19.9
108.35281	1.8
109.02887	28.7
109.06518	8.3
109.10149	15.5
111.04448	5.0
111.08083	13.7
113.05991	2.1
115.03953	8.3
117.07012	8.0
119.08588	26.8
121.06527	21.8
123.04419	5.3
123.08074	3.8
123.11701	6.2
127.03879	8.9
128.06209	4.5
131.08600	5.8
133.06505	5.5
133.10141	100.0
135.08127	4.6
135.11690	5.7
137.05933	4.3
139.07545	9.3
143.08556	10.7
145.06470	3.7
145.10156	3.0
147.08064	5.2
151.11192	37.7
152.31110	1.9
152.55917	2.0
161.09627	59.8
165.09158	2.5
171.08058	9.7
179.10706	36.2
189.09122	36.0
197.11742	15.6
207.10150	11.4
225.11221	50.6
243.12341	8.2
299.14926	80.2
299.20068	4.0
299.23657	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93821	0.7
55.05503	1.9
55.93518	0.7
56.96566	2.7
57.07076	0.9
59.42407	0.6
67.34309	0.5
69.07053	0.6
69.77171	1.8
69.77579	1.3
69.96165	2.0
70.95860	2.2
82.99844	0.9
83.04974	3.8
83.08603	0.6
85.01402	2.3
92.39628	0.6
93.79294	0.6
98.97588	17.1
99.97935	1.4
101.00893	7.4
103.02454	5.4
107.25321	0.4
111.04443	2.0
113.06035	1.0
116.98627	8.2
117.34312	0.6
117.98981	1.3
119.01926	16.7
120.01981	1.7
121.03513	1.3
123.22720	0.5
125.04474	1.0
127.07514	1.9
129.04001	0.9
131.96140	1.2
134.99654	3.0
137.03001	3.0
137.06010	0.7
139.06044	0.8
141.03961	1.9
143.05557	7.0
145.03477	8.7
147.05029	5.1
149.97202	1.4
155.05731	1.1
155.07031	16.4
157.03453	0.7
157.07140	6.6
159.05020	1.6
161.06601	5.9
163.04524	7.6
165.06117	2.6
167.05536	0.6
169.03517	0.6
169.07124	5.3
171.05096	2.8
173.06602	1.6
174.97647	2.2
175.08167	8.9
177.00992	3.8
178.01076	3.2
179.00760	1.3
179.98430	1.1
183.08633	0.8
185.06619	9.8
187.04552	1.7
187.06584	1.0
187.08180	13.3
189.06097	15.3
190.95581	0.7
191.95000	1.5
192.98695	1.8
195.05025	1.9
201.06183	0.9
201.09799	2.1
203.02533	0.7
203.07664	3.7
205.05692	1.1
207.07164	1.5
208.95990	0.6
209.95984	2.0
211.04507	5.9
211.08102	1.4
213.06091	9.0
213.09669	5.3
214.95685	2.7
216.98660	0.7
218.01111	0.6
218.04262	0.8
219.02037	5.9
220.02173	4.1
221.01843	1.6
222.01987	1.5
226.01445	0.9
229.05612	2.5
231.07216	3.1
231.10841	1.2
232.96581	3.3
233.96031	3.9
234.99730	0.7
237.05966	1.3
239.07697	1.5
243.02214	0.6
244.02245	1.9
250.97542	1.2
251.97160	3.6
252.96812	1.2
255.07153	3.6
255.10815	5.6
256.96634	5.4
257.03693	0.7
257.08783	6.7
257.96640	1.3
258.99744	6.3
261.03085	3.7
262.03229	16.1
263.02872	2.1
274.97650	9.8
275.04803	0.6
275.97281	14.7
276.04742	1.9
276.97079	1.6
277.00836	4.2
292.98578	1.7
293.98257	8.9
294.98178	0.7
298.97797	12.7
299.09769	100.0
300.09955	2.0
316.98868	16.3
317.05045	0.6
317.10825	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1149
Annotation	Nelarabine
Peak:m/z	Relative Intensity
53.03949	1.0
53.07077	1.0
55.01877	1.6
55.05511	2.2
56.96568	10.5
57.03427	3.4
57.07059	1.1
59.05006	4.7
61.01152	4.8
61.02924	2.8
67.05487	1.5
69.03438	7.6
69.07077	2.5
70.06606	5.3
71.04999	1.3
71.49821	1.6
72.08141	1.4
73.02914	2.9
73.06563	1.9
75.02710	2.8
79.01839	1.5
81.03414	4.6
82.03750	1.8
83.04964	1.7
84.04512	1.2
84.08138	2.7
84.96039	2.1
85.02913	13.6
87.04509	1.1
91.05488	1.2
92.05772	1.0
95.04961	1.0
95.06116	0.9
97.02914	9.2
97.06492	1.2
98.06077	1.0
98.97598	20.2
99.04422	1.5
100.04688	1.0
101.06021	13.1
107.04971	1.6
109.02892	1.7
110.03510	1.6
110.07163	2.7
110.97572	4.0
111.04462	1.3
116.98637	6.2
119.01857	1.1
119.03526	1.6
119.04939	1.1
119.07072	2.9
120.08109	1.2
124.07610	1.6
127.03931	3.4
128.04514	1.4
128.98627	4.9
134.99654	1.5
135.03043	4.7
136.06198	100.0
137.05945	2.0
138.05466	1.1
143.00160	1.7
143.03355	1.3
144.98221	1.1
145.03177	1.1
145.04967	2.4
146.99673	2.6
147.04404	4.1
148.04776	1.1
149.04623	4.8
152.05688	43.7
153.01836	15.4
153.02972	2.1
153.04068	3.2
153.05933	1.1
154.02213	7.0
158.99673	5.5
161.01247	1.3
161.04729	1.2
166.07269	66.8
167.05716	6.0
167.06943	1.3
170.99699	1.5
177.00699	2.5
178.07240	1.6
178.09830	1.5
189.00653	1.6
191.03764	1.6
191.54124	1.2
193.04381	2.1
193.10878	3.1
201.00693	2.7
202.04921	1.8
217.07320	1.3
219.01828	3.8
223.05321	1.6
237.02771	2.5
239.11452	5.3
265.03812	1.0
265.06519	2.0
274.07025	3.8
278.96060	1.0
279.07675	1.2
298.06702	1.8
298.09760	3.0
298.17767	3.9
299.06119	1.3
300.06604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0971
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.01160	5.4
63.08287	0.2
63.46801	0.2
70.13168	1.1
75.02719	2.7
90.30545	0.2
94.04047	0.3
97.02906	1.4
101.63713	0.3
103.02158	0.5
119.03548	0.8
136.06200	100.0
137.04593	0.3
145.03221	1.3
155.10126	0.3
163.04289	1.4
298.09717	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	297.9915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	9.6
69.96172	2.3
70.95866	1.2
71.01595	1.9
71.95252	2.7
98.97590	100.0
101.00885	1.6
116.98628	35.9
119.01951	1.7
131.08481	0.7
131.96104	0.9
134.99680	6.0
137.82831	0.8
163.01111	0.7
172.94359	5.2
177.01009	2.1
190.95360	3.6
199.54568	0.6
201.01137	0.9
208.96196	1.4
211.64911	0.6
214.95526	2.7
215.23190	0.7
219.02051	5.4
232.96387	5.0
243.02089	2.1
250.97371	3.7
251.02573	0.9
256.96426	16.7
261.03076	14.3
274.97498	75.4
275.04657	2.9
292.98553	33.5
297.99323	1.1
298.18723	1.2
298.97836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	13(R)-HODE
Peak:m/z	Relative Intensity
55.01880	4.5
55.05516	14.1
57.03426	5.6
57.07067	6.2
67.05509	37.8
69.07076	16.0
70.69095	8.3
71.04990	3.8
71.08636	100.0
79.05492	27.7
81.07059	56.7
83.04977	4.5
83.08617	14.2
89.33812	2.7
91.05482	22.1
93.01106	2.9
93.07053	20.4
95.08611	32.5
97.06532	5.4
97.10187	10.4
99.08098	90.7
105.07024	20.1
107.08615	15.4
109.06516	2.9
109.10172	15.2
111.08101	4.4
117.07008	4.1
119.08612	15.5
121.10137	15.7
123.08095	2.5
123.11726	5.5
125.09681	3.4
127.11236	4.1
131.08572	12.8
133.10095	5.2
135.11691	8.3
136.06183	3.5
137.13280	8.2
145.10146	7.5
147.11691	49.9
149.09805	2.9
149.13283	7.2
151.11186	3.6
153.12749	10.8
159.11656	6.2
161.13315	3.1
163.11185	11.6
163.14839	15.1
165.12784	22.3
167.14270	4.7
173.13220	4.3
181.15868	7.6
193.55220	2.9
228.63475	3.0
230.06415	2.9
233.22716	4.1
243.21062	16.1
251.23662	2.9
261.22253	23.0
279.23209	68.8
297.21762	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	297.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49761	2.0
53.03935	10.5
53.69762	2.2
55.01868	9.6
55.05505	7.3
57.03435	11.6
57.07063	2.6
61.02915	8.3
65.03910	2.3
67.05508	20.1
69.03097	3.2
69.03432	40.3
69.07059	4.8
71.01314	3.0
71.04993	8.2
71.51052	2.9
73.02911	7.5
79.01833	8.2
79.05502	21.6
81.03419	67.5
81.07059	30.1
83.04966	6.3
85.02908	36.5
85.06527	4.1
91.05477	19.8
93.07050	52.6
95.04984	12.7
95.08602	24.5
97.02895	31.5
97.06503	5.8
99.04474	13.5
103.03978	5.6
103.05439	2.4
105.07033	40.9
107.04955	6.0
107.08596	47.8
109.02886	25.5
109.06532	13.2
109.10136	19.3
111.04453	6.8
111.08099	3.4
113.05974	4.1
115.03915	3.5
117.07021	11.4
119.08583	25.1
121.06499	9.3
121.09332	3.1
121.10152	37.6
123.04448	5.3
123.08076	5.6
123.11701	8.2
125.02319	5.2
125.06014	3.7
127.03905	15.7
128.06239	4.3
129.05479	2.8
129.07030	4.7
131.08559	14.5
133.06493	3.4
133.10135	22.5
135.04408	3.7
135.08101	5.3
135.11694	45.5
137.05969	4.2
137.09621	6.7
139.07535	3.0
141.07002	2.7
143.03406	4.5
143.08534	6.8
145.04942	5.7
145.10109	16.9
147.08040	5.4
147.09145	8.7
147.11678	19.7
149.05937	2.5
149.09569	4.6
149.13293	4.2
151.11180	6.9
153.01842	100.0
153.02924	5.3
153.12733	9.0
155.08569	4.0
157.10117	5.5
159.08057	6.3
159.11687	10.7
161.09656	5.2
161.13275	6.2
163.07474	2.4
163.08705	8.3
163.11168	6.8
165.12778	5.7
171.02870	2.9
171.11693	3.0
173.09554	4.4
173.13304	3.8
175.08719	13.6
175.11093	5.3
177.12737	9.7
177.14117	2.4
185.09676	2.3
187.11218	3.5
189.12738	6.5
190.84349	2.4
197.13211	3.5
201.12773	8.2
207.13834	3.1
213.12631	2.6
215.14386	3.6
219.13803	7.2
231.13770	6.3
233.15297	2.9
243.13802	6.3
249.15007	2.6
261.14862	15.0
279.13327	5.3
279.15906	19.9
297.06009	23.0
297.11316	5.6
297.17075	38.0
298.20184	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	297.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
53.03949	8.6
55.01873	2.7
55.05521	2.1
57.03432	2.8
61.02930	2.2
65.03931	1.0
67.05514	7.1
69.03433	15.9
69.07071	1.2
70.04311	0.9
70.04616	4.0
70.06589	1.1
71.01354	2.1
71.04993	2.5
72.04491	1.0
73.02905	1.5
79.01849	4.9
79.05494	7.1
81.03422	53.0
81.07056	5.8
83.04985	3.7
84.08129	0.9
84.92786	0.8
85.02905	8.7
86.09742	0.8
91.05473	6.9
93.07041	10.0
95.04973	4.0
95.08592	3.3
97.02898	9.9
98.97580	1.0
99.04468	3.8
103.03979	1.9
103.05489	1.0
105.07039	7.5
107.01321	3.0
107.04966	4.6
107.08600	8.5
109.02887	19.9
109.06516	2.4
109.10165	4.6
111.04469	4.3
114.62746	0.8
115.03995	1.1
115.05459	1.2
117.07038	4.4
119.08587	7.3
120.08109	3.1
121.06488	1.4
121.08456	2.2
121.10171	3.5
123.04434	5.1
123.08100	1.3
123.11718	3.4
125.02379	3.8
125.05970	1.4
127.03917	7.9
128.06258	1.0
129.05511	1.5
129.06990	1.8
131.04909	1.6
131.08553	4.7
133.06532	1.9
133.10147	5.1
135.04433	2.0
135.08057	1.6
135.11690	5.4
136.06210	2.0
137.06007	1.6
137.09653	1.3
141.05446	2.4
141.06946	1.2
142.07764	1.5
143.03383	7.6
143.08565	1.3
145.05003	1.0
145.10124	3.6
147.08090	0.9
147.11697	4.8
149.09653	1.0
149.13277	1.1
151.07585	1.3
151.11212	1.3
153.01837	100.0
153.02917	7.4
153.12808	1.2
155.08536	0.9
156.09377	1.0
157.10141	2.0
159.08107	1.3
159.11734	3.3
161.09590	1.5
161.13269	2.3
163.11186	2.2
165.05569	0.7
165.12784	1.7
171.02882	3.3
171.11734	1.9
173.09625	1.7
173.13249	1.8
175.11212	2.3
177.12776	2.6
181.08606	1.4
189.12833	2.0
197.13297	0.9
201.12744	2.8
219.13843	3.9
220.00624	0.9
226.10735	1.4
231.13858	2.4
233.04156	1.0
237.09280	1.3
243.13849	1.8
249.14699	1.2
261.14908	6.7
265.08575	1.2
279.08795	0.9
279.15961	4.2
297.06058	23.1
297.11505	2.4
297.16962	6.2
299.06247	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	297.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01886	3.9
55.05507	5.4
56.38878	1.3
57.03451	6.4
59.04997	1.5
61.02919	5.0
65.03938	1.6
67.05506	20.5
69.03083	2.2
69.03434	33.2
69.07069	7.0
69.43878	10.7
71.01344	1.5
71.04990	3.9
73.02905	4.3
79.01862	4.1
79.05493	13.7
81.03421	43.4
81.07064	21.3
81.95504	1.3
83.04975	6.4
85.02905	25.3
87.04456	2.4
91.05471	12.2
93.07050	28.3
95.04971	7.7
95.08611	8.0
97.02885	13.6
97.06551	1.4
99.04467	5.6
101.02402	1.4
103.03922	4.0
103.05424	2.0
105.07030	19.3
107.01361	2.3
107.04979	3.5
107.08600	20.6
109.02892	18.1
109.06550	3.5
109.10168	4.9
111.04459	10.0
115.03908	2.8
115.05444	1.3
117.07004	6.5
119.08612	9.0
121.06516	2.2
121.10132	8.7
123.04443	3.7
123.08047	2.4
123.11709	13.7
125.02354	3.8
127.03902	12.8
129.05507	2.4
129.06999	5.8
131.08582	7.9
133.06531	2.7
133.10147	11.3
135.04460	2.0
135.08066	4.0
135.11693	22.7
137.44791	1.2
141.07080	1.4
143.03371	6.9
143.08600	2.2
145.04999	3.4
145.06485	3.1
145.10156	5.7
147.04375	1.3
147.08028	3.3
147.11644	6.7
147.14996	1.4
149.09569	3.1
151.11208	1.8
153.01833	100.0
153.02892	5.6
154.02223	2.6
157.10175	4.1
159.04416	1.8
159.08105	1.6
159.11702	4.7
161.09673	3.2
161.13281	2.5
163.07458	1.4
163.11198	4.8
165.12692	3.4
169.10188	1.3
171.11653	2.8
173.09711	1.5
175.08722	1.8
175.11212	3.8
177.12730	3.7
179.03406	3.3
181.01266	1.8
189.12717	2.4
191.03282	1.7
191.14352	1.4
193.12209	1.9
197.13412	2.0
201.12782	2.6
204.03801	1.5
205.04965	4.7
207.02898	2.6
207.13785	2.0
215.14343	3.5
219.13823	3.0
231.13762	4.0
233.04494	4.1
233.15437	2.2
243.13809	3.9
261.14832	9.3
279.15955	9.7
297.06024	18.3
297.11316	2.0
297.16971	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.3
51.02392	0.7
53.03954	0.5
55.01867	0.6
55.05509	0.5
67.05497	0.4
67.33482	0.2
69.03438	1.9
69.07070	0.3
69.48743	1.3
71.04990	0.3
73.51847	0.2
79.01858	4.9
79.05492	0.5
81.03422	4.9
81.07064	0.5
83.08629	0.3
85.02914	0.3
87.00853	0.2
89.03931	0.2
91.05534	0.5
93.07056	0.8
95.04945	0.2
95.08586	0.6
97.02896	9.1
99.04430	1.4
103.05444	0.5
105.07063	0.7
107.01334	1.3
107.04961	0.5
107.08588	0.7
109.02885	2.9
109.06554	0.3
115.05477	0.2
117.06988	0.3
117.50410	0.2
119.04949	0.6
119.08563	0.4
121.10201	0.4
123.04375	0.3
125.02352	3.1
127.03924	1.7
131.04927	2.1
133.02870	0.5
133.06500	0.3
133.10139	0.4
135.04395	1.0
135.11751	0.4
137.02368	0.5
137.06081	0.2
137.09541	0.2
139.03905	0.6
143.03407	5.8
147.04396	0.9
147.11781	0.2
149.05904	0.3
149.09650	0.3
151.03957	0.4
153.01840	100.0
153.02895	5.9
154.02171	0.7
159.04413	3.0
159.11644	0.3
163.03896	1.1
165.01814	0.5
165.05423	0.2
169.10014	0.2
171.02878	0.7
171.04326	0.5
175.03902	1.1
175.11169	0.3
177.05501	1.4
179.03427	1.7
179.06984	0.3
181.01337	1.7
181.04991	0.2
183.02847	1.1
187.03883	1.1
191.03418	1.8
193.04970	0.7
195.02924	1.5
197.00807	0.5
203.03387	0.7
205.04980	4.8
207.02907	4.8
209.04500	0.8
211.02420	0.8
215.03331	1.1
217.04895	0.3
219.02986	0.7
221.04460	2.6
223.02388	3.7
233.04445	5.4
235.02356	0.6
237.03984	1.5
243.02884	0.5
249.03925	1.2
251.05545	0.3
252.19699	0.2
261.04010	2.0
267.05038	0.8
279.05060	0.7
279.16037	0.3
297.06061	9.8
297.11057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01608	0.3
51.02393	1.1
51.09200	0.3
53.03949	7.1
55.01874	0.4
55.05515	0.6
67.05506	0.9
69.03431	10.3
69.07074	1.3
69.26077	2.9
71.04978	2.0
72.28739	0.3
79.01852	5.8
79.05518	0.4
81.03420	64.7
81.07063	1.0
82.03745	0.3
85.02910	1.1
93.07047	0.7
95.08598	1.0
96.42965	0.4
97.02901	5.3
99.04457	2.9
105.07054	0.5
107.01339	1.7
107.08594	0.5
109.02885	22.7
109.10147	0.9
110.03270	0.4
120.31188	0.3
123.11758	0.6
125.02339	3.6
127.03918	6.8
127.05430	0.4
143.03397	6.2
147.04398	0.3
153.01836	100.0
153.02908	6.8
154.02216	0.7
171.02919	3.3
177.05447	0.4
179.03439	0.4
191.03426	0.4
205.04947	0.7
233.04465	0.7
297.06055	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	297.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
55.01866	1.0
61.02919	0.4
65.50195	0.3
66.45904	0.3
67.05484	0.4
69.03436	24.4
69.35945	2.4
71.04977	0.4
79.01855	3.7
79.05503	0.5
81.03422	2.5
81.07011	0.6
83.01326	0.4
91.05488	0.7
93.07030	0.6
95.08627	0.4
97.02908	3.8
99.04462	1.2
100.40186	0.3
103.05469	0.9
105.03435	0.4
105.06978	0.4
107.01338	1.1
107.04985	0.3
107.05972	0.3
107.08584	0.5
109.02900	2.0
119.04942	1.3
125.02348	2.3
127.03934	10.4
131.04936	3.1
133.02853	0.9
133.06523	0.6
135.04411	0.5
137.02330	1.1
139.03922	1.1
143.03416	5.2
147.04425	1.8
148.08571	0.3
151.03918	1.2
153.01843	100.0
153.02896	5.4
154.02191	0.9
159.04434	3.9
161.06058	0.7
163.03897	2.1
165.01851	1.2
171.04437	0.5
175.03952	2.1
177.05499	2.2
179.03424	4.2
179.07016	0.8
181.01318	3.7
183.02876	2.3
187.03937	2.3
189.05463	0.6
191.03415	3.6
193.04936	1.9
195.02893	1.7
197.00883	0.5
200.43837	0.3
205.04980	7.1
205.06741	0.6
207.02898	4.8
209.00899	0.6
209.04529	1.2
211.02484	0.8
215.03448	1.4
217.04907	0.9
219.02919	1.0
221.04518	1.3
223.02438	2.0
223.05898	0.5
233.04462	6.9
235.02596	0.5
237.03979	2.7
249.03937	1.3
250.23882	0.3
251.05476	1.1
261.03992	2.1
267.05017	1.7
279.04886	1.5
297.06064	8.1
297.11258	0.7
316.16632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01882	0.6
55.05514	2.1
56.05021	0.7
57.03436	1.4
57.07064	0.8
59.05002	2.2
67.05514	1.5
69.03432	1.1
69.07069	2.4
69.48059	2.9
72.08159	3.6
73.06539	0.6
79.05493	2.1
80.05022	1.6
81.03413	1.7
81.07064	3.4
82.06548	0.6
83.04995	0.7
83.08620	1.0
84.08147	2.1
86.09732	1.2
91.05491	3.0
93.07038	7.0
94.06577	0.6
95.04995	0.6
95.08619	3.2
96.18827	0.5
98.06097	0.6
98.09803	0.5
101.06019	2.3
103.05463	3.6
105.04523	0.8
105.07024	0.8
107.08600	1.9
108.08127	11.8
109.02920	0.7
109.08872	0.6
109.10168	1.5
110.09702	0.9
111.08055	0.5
118.06570	1.4
119.08600	1.3
121.06505	18.2
121.10168	1.0
122.09669	7.6
123.10461	2.5
124.11234	1.0
130.08603	0.6
131.04839	0.6
133.10133	1.5
134.33989	0.5
135.11696	2.1
136.11217	2.2
137.13306	0.8
150.12784	15.1
151.13562	6.8
152.14354	3.4
153.01830	2.0
161.13194	0.7
161.43062	0.5
164.14415	1.2
168.10236	0.6
176.14336	11.2
178.15958	1.4
180.10190	4.5
198.11285	1.9
206.19107	3.8
208.13351	1.3
210.15022	0.9
222.14928	2.2
223.15555	0.6
224.20207	0.7
234.10367	0.6
235.07513	1.0
250.09988	1.6
250.18040	1.2
252.19594	100.0
253.19994	0.7
265.12222	2.7
296.22433	56.0
297.22379	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2012
Annotation	Spirasine IX
Peak:m/z	Relative Intensity
51.02390	0.4
53.03949	2.4
53.28336	0.3
55.01876	0.6
60.63990	0.3
61.44997	0.3
62.74671	0.3
63.03715	0.3
63.84846	0.3
67.05525	0.4
67.22849	0.3
69.07069	1.1
69.30212	1.1
69.30634	1.7
70.07393	0.6
76.74686	0.3
77.03955	0.7
79.05498	0.5
80.96617	0.3
81.03419	0.9
81.07052	0.7
84.43792	0.4
91.04898	0.6
91.05486	12.4
92.47992	0.4
93.07054	17.4
95.04974	2.7
95.08612	0.4
98.06036	0.5
98.20704	0.7
103.05473	14.8
105.04536	1.0
105.07045	0.7
107.08587	0.6
109.02890	0.5
109.10181	0.4
117.07044	0.4
118.06557	4.3
121.06516	100.0
122.06845	0.7
126.01057	0.4
131.04961	1.4
132.08110	1.5
133.08945	0.4
134.09639	1.1
135.08061	1.2
146.09706	1.2
153.01843	2.5
166.12318	0.4
176.14363	56.3
177.14703	0.4
234.10454	0.5
245.53421	0.3
251.76117	0.3
265.12262	1.0
296.16547	9.0
296.20062	76.3
297.20410	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.3
57.03433	1.1
57.07067	0.5
59.04996	1.7
60.19733	0.4
67.05499	1.5
68.05029	0.7
69.03423	1.1
69.07069	1.9
69.38524	2.1
69.38941	1.5
71.04996	0.7
72.08165	2.7
73.06543	0.9
79.05471	1.8
81.03416	1.6
81.07069	2.9
82.06606	0.7
83.04990	0.7
83.08592	0.8
83.45979	0.4
84.08147	0.8
91.05470	1.0
93.07030	3.3
94.06551	0.4
95.08607	2.4
96.08113	0.8
98.09670	0.6
101.06019	2.1
105.07032	1.0
107.08580	1.9
108.08118	10.8
109.02836	0.5
109.08893	0.9
109.10174	1.0
110.09718	2.3
119.08560	0.7
121.10080	0.6
122.09669	9.1
123.10435	0.9
129.27977	0.5
133.10152	0.8
135.11668	3.2
136.11221	2.7
137.13240	1.0
150.11642	1.0
150.12790	15.3
151.13562	7.6
152.14352	5.4
153.01831	3.5
153.12752	0.5
153.15080	0.5
164.14343	1.1
166.12242	2.2
178.15900	1.2
179.14404	0.8
180.10223	2.1
180.13869	0.4
184.13368	0.7
198.14923	2.5
206.19060	3.7
208.13391	1.1
210.15012	0.8
222.14861	2.0
223.15756	0.7
224.20091	0.8
240.98705	0.5
250.18011	1.2
252.19595	100.0
254.21111	5.3
296.22208	63.1
297.06058	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
56.05033	1.0
56.96556	2.8
60.04525	1.0
61.02892	1.0
66.22136	0.8
69.03437	4.5
70.02947	2.7
70.06582	3.2
70.88064	2.6
72.04508	3.3
73.02914	4.6
75.15990	0.9
79.01859	0.9
79.05501	5.5
81.03416	6.0
81.07055	1.8
84.08134	2.1
85.02890	5.6
86.06099	0.8
86.09737	0.9
87.00816	4.8
87.04465	7.5
88.03991	2.2
89.02394	53.4
91.05484	15.2
93.07029	3.1
95.04948	1.3
97.02889	2.5
98.97591	3.3
99.04442	1.2
99.08061	0.9
100.03986	2.5
101.04772	6.2
103.05466	19.3
105.07034	15.0
107.04954	4.7
109.02858	2.2
110.07189	1.1
112.07598	3.2
113.02362	5.5
115.05420	1.4
116.98606	2.2
117.05750	3.7
117.07016	16.0
118.06539	8.1
119.07326	1.9
119.08607	4.1
120.08105	16.9
121.06530	1.2
122.07098	1.3
124.07627	1.0
127.03909	2.4
128.06230	2.3
129.07001	14.4
130.06522	2.0
131.03407	41.7
131.04886	10.1
131.07300	3.5
134.09637	1.1
136.06294	0.9
140.07072	1.8
144.08076	2.4
145.04947	1.4
146.09647	72.0
149.05949	1.7
153.01813	12.0
153.02968	1.3
158.99719	1.2
159.84717	0.8
164.10712	35.3
165.07762	1.9
166.08629	3.5
174.09102	4.2
177.00732	1.9
192.10196	100.0
193.10524	1.0
210.11250	5.4
229.03806	1.0
232.09692	2.2
237.13466	2.5
250.10751	43.1
251.11063	0.9
254.41243	1.0
278.10260	2.0
279.87292	0.9
293.38733	0.8
296.11310	35.6
296.15341	2.8
297.06134	2.4
297.10254	3.5
301.01437	0.9
310.49573	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2635
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
50.62487	0.8
53.03938	1.8
55.01867	3.0
55.05270	1.5
55.05515	20.4
55.79149	0.9
57.02056	1.0
57.03433	4.0
57.07077	10.3
57.70465	0.8
59.04998	5.4
60.54927	0.9
61.02920	1.1
66.85825	0.9
67.05178	1.5
67.05510	20.3
69.03445	6.4
69.07070	100.0
71.04980	3.9
71.08643	4.7
71.43167	1.3
73.02917	3.2
73.06570	2.0
79.05494	9.2
81.03423	1.5
81.07058	54.5
83.04979	2.8
83.08148	1.4
83.08620	18.6
85.02921	6.6
85.06535	5.6
91.05493	3.8
93.07048	22.1
95.04957	1.3
95.08613	40.1
97.02883	3.7
97.06533	10.4
97.10154	6.0
99.04433	1.3
99.08099	3.8
101.06001	1.8
105.07019	4.9
107.08593	21.2
109.02877	0.9
109.06524	2.5
109.10160	44.7
111.08089	6.2
111.11727	28.6
113.09638	1.2
115.03924	1.5
115.05403	0.9
115.07583	0.8
119.08598	4.0
121.10143	10.1
123.08064	2.5
123.11710	23.6
125.09612	2.8
125.13283	2.4
127.03907	1.8
127.11196	2.7
129.12772	1.5
133.04973	2.7
133.10124	3.6
135.11694	20.2
137.09647	1.2
137.13264	5.1
139.11197	8.7
141.12750	1.3
145.04958	1.3
147.11699	3.2
149.13268	6.1
151.03880	1.5
151.11156	3.8
151.14804	1.3
153.12753	28.0
154.73558	0.8
161.13255	1.6
163.14793	2.5
165.12770	2.4
165.16388	0.9
167.14343	1.1
171.13857	2.4
175.14787	1.8
177.16394	2.4
189.16379	1.5
193.15863	1.5
203.18027	1.4
259.24289	2.3
265.12180	1.2
277.21857	2.2
277.25226	15.4
295.26324	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	295.2634
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
51.26083	0.4
52.93285	0.4
53.03944	0.9
55.01880	0.5
55.05515	15.2
57.03449	2.1
57.07078	4.3
59.05007	2.0
67.05506	10.2
69.03434	7.9
69.07071	100.0
70.07424	0.6
71.02851	1.2
71.04999	1.2
71.08631	1.3
73.02920	0.7
77.61422	0.4
79.05495	3.5
81.03423	1.4
81.07059	16.3
83.05001	1.0
83.08620	7.4
85.02905	3.9
85.06561	1.8
85.10179	1.0
87.04478	2.3
91.05483	1.1
93.07047	6.8
95.04988	1.3
95.08609	13.0
97.02898	3.3
97.06516	3.4
97.10168	3.6
99.04444	0.6
99.08083	2.1
99.16463	0.4
102.96909	0.7
103.04008	0.8
105.07056	2.7
107.08594	5.1
109.06537	2.0
109.10165	15.0
111.08100	0.6
111.11726	24.4
113.09621	0.6
115.03955	3.4
119.08605	1.8
121.10149	6.3
122.35526	0.5
123.08064	1.4
123.11714	6.1
125.09681	1.1
127.03922	0.7
127.11205	1.1
129.12744	2.6
133.04990	2.6
133.10123	1.0
135.11690	2.0
137.09642	1.0
137.13272	2.0
139.11188	18.9
145.04959	1.7
147.11702	1.2
149.13257	2.3
151.11208	0.7
157.06522	0.4
157.12193	2.3
162.51599	0.5
163.14809	1.3
165.12819	1.2
167.10611	0.6
171.11743	0.4
175.14854	0.9
177.16426	0.8
189.16267	0.4
191.18065	0.7
193.15906	0.9
221.19031	0.6
258.86795	0.5
259.24210	1.0
277.21622	0.7
277.25275	3.5
295.26337	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2634
Annotation	Methyl linoleate
Peak:m/z	Relative Intensity
53.03946	0.6
55.01867	0.8
55.05513	12.9
57.03428	0.9
57.07082	3.1
59.04998	2.2
59.82832	0.4
63.13742	0.4
67.05502	6.6
69.03435	2.0
69.07071	100.0
70.06609	0.6
70.75430	0.7
70.75784	0.9
71.04984	1.4
71.08628	0.8
73.06554	1.1
77.99015	0.5
79.05492	3.1
81.07063	18.0
83.04987	1.2
83.08620	7.4
85.02896	0.6
85.06553	2.0
85.10162	0.5
91.05489	2.7
93.07052	9.6
93.07626	0.6
95.04991	0.8
95.08611	14.3
97.06528	4.5
97.10178	2.3
98.97560	0.6
99.08076	2.3
105.07049	1.9
107.08606	5.6
109.06497	0.6
109.10164	9.6
111.08089	1.9
111.11727	31.2
111.84834	0.4
112.24744	0.4
119.04947	0.8
119.08600	2.4
120.08137	0.6
121.10148	4.9
123.08059	0.9
123.11707	5.3
125.09641	0.8
125.13287	1.0
127.11208	0.6
129.12764	3.3
131.08633	0.6
133.10176	1.5
135.11688	5.8
137.09642	0.8
137.13274	1.7
139.10103	1.1
139.11183	21.3
147.04440	2.0
147.11705	1.4
149.09587	0.7
149.13245	2.0
151.11189	0.6
153.12752	9.0
157.12289	3.1
163.14908	1.0
175.14746	0.6
217.97491	0.5
277.21552	1.4
277.25235	3.1
295.26318	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	295.227
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
52.35728	2.9
52.42357	3.3
53.03941	10.4
55.01880	49.0
55.05268	4.4
55.05516	58.3
57.03424	5.8
57.07063	12.0
60.29215	2.6
62.30645	2.6
65.03931	4.3
67.05509	89.8
69.03445	5.3
69.07074	33.6
69.42363	20.4
69.42786	5.4
71.04992	9.2
71.08635	32.6
72.08145	3.8
79.05071	4.2
79.05497	51.3
81.03425	26.9
81.06589	5.3
81.07061	88.9
83.04992	17.1
83.08636	32.0
85.06570	4.7
85.10177	10.2
86.09682	2.9
91.05490	46.1
93.07053	58.9
95.04952	18.2
95.08619	53.3
97.06544	32.0
97.10165	19.1
99.08108	22.1
105.07038	40.6
107.04971	6.6
107.08602	32.0
109.06494	10.3
109.10167	29.7
111.08090	50.4
113.09647	16.0
117.07008	10.1
119.08591	23.8
121.10174	21.7
123.08056	12.2
123.11694	7.2
125.09656	15.5
129.07016	7.3
131.08563	8.8
133.10130	25.3
135.08101	3.1
135.11731	19.6
137.09636	9.6
137.13255	3.7
139.11192	10.3
143.08498	5.7
145.10130	7.1
147.08096	3.9
147.11723	26.6
149.09645	10.8
149.13307	18.0
151.11189	28.1
153.12788	3.6
157.10155	9.9
159.11740	4.3
161.13254	15.8
163.11185	12.0
163.14789	5.0
165.12773	29.8
167.14299	3.2
171.11700	5.0
173.13206	4.5
175.11174	8.3
175.14816	7.4
177.12720	3.9
179.14372	15.9
181.12253	3.7
185.13278	6.2
189.11176	4.4
189.12726	3.6
193.12260	5.3
201.51337	3.1
203.14346	3.7
221.15379	6.9
231.21240	3.9
237.58374	3.0
241.19539	7.0
249.22159	7.2
259.20615	15.2
277.21655	100.0
286.62445	2.9
295.22766	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03947	25.5
54.02439	3.8
55.01863	15.4
55.05515	43.2
57.07067	13.9
67.05508	92.6
68.20621	3.5
69.03449	3.4
69.06729	5.2
69.07074	56.9
71.08624	8.4
79.05498	56.2
81.03424	87.0
81.07058	68.9
83.04977	21.4
83.08612	13.7
85.02912	4.3
91.05499	29.1
93.07048	51.2
95.04967	50.5
95.08611	38.8
97.06534	6.0
97.10149	6.0
99.08084	5.4
105.07031	27.6
107.08584	26.4
109.06519	13.7
109.10160	18.9
111.08076	8.1
117.07047	7.9
119.08553	17.5
121.10186	16.8
123.08106	5.9
123.11694	12.9
123.36034	4.1
125.09564	6.1
129.06978	5.7
130.13194	3.7
131.08571	7.8
133.10159	19.2
135.08046	9.8
135.11705	13.1
143.08533	5.2
145.10129	6.4
147.11743	22.5
149.13272	15.8
151.11189	69.3
157.10156	3.7
159.11693	5.1
161.13298	18.0
165.12778	22.1
171.10165	5.9
171.11638	4.8
175.14821	7.4
177.12613	4.3
179.14328	5.2
181.12393	3.5
184.56100	3.9
189.12703	4.3
193.12219	6.4
207.13811	4.2
231.21072	13.7
241.19438	6.6
249.22012	8.9
259.20630	12.5
277.18829	6.5
277.21655	100.0
295.22885	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	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03946	4.7
55.01877	76.1
55.05516	40.4
57.03424	4.6
67.05508	55.9
69.03442	3.8
69.07076	64.5
70.61406	2.8
71.04978	7.0
71.08632	8.2
71.51639	5.6
75.73368	3.2
79.05495	40.2
81.03417	7.9
81.07063	76.3
83.04977	16.2
83.08627	39.7
85.02900	3.9
85.06554	6.5
88.54190	3.2
91.05489	36.6
93.07054	47.5
95.04958	6.2
95.08614	47.6
97.06536	100.0
97.10154	5.4
99.08090	9.2
105.07034	37.1
107.08599	31.3
109.06528	9.8
109.10154	15.3
111.08086	11.3
117.07047	3.6
119.08585	27.4
121.10149	29.2
123.08070	7.4
123.11758	15.8
123.42069	3.4
125.09656	6.3
129.07030	7.9
131.08592	7.5
133.10153	21.4
135.11662	17.0
139.11218	4.7
145.10158	9.3
147.08029	4.7
147.11703	36.4
149.09639	4.2
149.13252	11.6
150.50389	3.5
151.11226	14.9
157.10112	8.0
159.11676	5.5
161.13290	12.0
163.11221	12.9
163.14764	4.8
165.12779	17.5
171.11674	8.5
173.13319	5.8
175.14799	4.3
179.14404	5.4
185.13271	5.8
189.12776	5.6
199.14897	3.8
231.21106	5.9
235.16931	4.9
241.19519	7.9
249.22220	8.6
259.20648	12.5
277.21655	98.8
279.31766	3.1
295.17126	6.3
295.22849	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
52.61133	4.0
55.01852	4.5
55.05517	29.2
57.07070	7.8
67.05511	64.5
69.07057	18.4
70.63692	12.3
71.05003	6.7
71.08633	47.7
76.87085	3.8
79.05495	51.1
81.03421	9.5
81.07057	65.9
83.04986	13.2
83.08617	16.0
91.05487	28.6
93.07050	59.5
95.04976	7.9
95.08620	46.5
96.99909	5.2
97.06561	11.0
97.10168	13.5
99.08094	41.2
105.07025	24.8
107.04973	9.8
107.08604	41.1
109.10155	25.9
117.06999	5.7
119.08563	20.4
121.10164	35.9
125.09682	4.3
129.07002	4.7
131.08525	7.4
133.10121	10.4
135.11691	46.7
141.09088	5.0
145.10115	5.0
147.11601	5.7
149.13264	14.4
151.11159	11.5
159.11760	4.6
161.13251	12.7
163.11237	7.3
163.14812	4.5
177.12764	6.8
179.14310	100.0
221.15167	4.2
235.16911	6.1
240.76082	3.9
259.20517	7.5
277.21671	45.7
295.23175	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03959	6.0
55.01864	9.2
55.05513	24.0
57.02780	2.9
57.03441	35.8
57.07058	9.9
67.05187	4.7
67.05512	65.5
69.07084	24.8
69.38940	3.1
69.85388	6.0
69.85792	17.3
71.04984	8.3
79.05502	55.2
81.03413	5.9
81.06598	5.6
81.07062	100.0
83.04962	10.6
83.08614	15.9
85.02896	4.5
85.06548	9.9
91.05067	2.9
91.05492	32.3
93.07047	59.5
95.04979	4.3
95.08609	83.5
97.06503	11.0
97.10175	8.6
98.21441	4.7
99.08126	4.4
102.02348	4.0
105.07049	27.0
107.08599	37.2
109.06522	8.4
109.10159	33.4
111.08074	8.0
113.09660	3.4
117.06986	8.7
119.08590	19.9
121.10154	46.0
123.08057	10.4
123.11710	14.1
125.09568	7.6
131.08553	15.0
133.10141	21.7
135.11739	26.3
137.09578	8.5
137.43713	3.2
139.11140	6.7
145.10101	15.9
147.11684	15.2
149.09616	4.6
149.13258	9.8
151.11188	11.9
157.06549	8.0
157.10127	4.6
159.11693	11.8
161.13301	8.4
163.14821	4.6
165.12723	6.7
168.55025	3.4
171.11690	5.4
173.13310	4.9
175.14890	5.0
177.16402	4.3
179.08438	4.8
183.08134	5.0
183.11897	3.8
185.13257	4.3
187.14879	20.8
197.09619	12.3
205.15891	11.0
207.17522	9.6
221.18982	8.4
223.16930	10.1
240.79889	3.6
241.19548	7.3
259.20557	11.4
277.21683	56.4
295.20453	14.9
295.23050	11.1
317.60666	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	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03938	5.6
55.01875	9.7
55.05512	39.5
57.03439	6.3
57.07078	10.2
61.08673	1.6
67.05505	66.7
69.03435	5.9
69.07066	30.4
71.04999	5.8
71.08633	33.9
71.16254	2.6
71.16605	2.8
79.05493	41.9
81.03416	16.6
81.07056	56.3
83.04981	12.3
83.08620	18.3
85.06548	7.5
85.10188	7.3
91.05482	32.6
93.07044	45.8
95.04973	20.5
95.08599	37.2
97.06531	12.4
97.10173	15.5
99.08096	28.2
105.07040	24.1
107.04939	3.7
107.08596	29.3
109.06507	9.2
109.10156	23.0
111.08097	5.7
113.09654	8.8
117.07049	5.6
119.08596	19.7
121.06510	2.8
121.10152	20.7
123.08116	3.7
123.11708	5.6
125.09644	10.8
127.11172	2.6
129.07039	2.7
131.08569	10.3
133.06549	1.8
133.10139	18.7
135.08105	2.0
135.11711	11.4
137.09692	5.2
137.13196	1.7
139.11211	3.6
142.07736	2.4
143.08604	6.6
145.10130	12.0
147.11705	11.2
149.09666	5.6
149.13321	5.8
151.11183	19.3
153.12711	3.3
155.08551	3.7
155.10733	3.3
156.09372	2.6
157.10115	8.4
158.10907	2.2
158.37457	1.7
159.11693	4.1
161.09659	2.2
161.13239	7.8
163.11209	7.8
163.14781	1.7
165.12753	15.9
169.10136	2.9
171.11745	6.1
173.11922	1.7
173.13280	6.9
175.11227	2.1
175.14798	3.0
177.12671	1.8
179.08679	1.9
179.14357	6.1
181.10075	1.6
182.83646	1.8
183.11732	2.3
185.13333	5.6
189.11194	7.8
195.11667	1.6
197.13293	2.7
199.14859	2.7
205.10127	1.8
207.13821	1.6
208.12627	1.8
209.13393	2.6
221.15425	4.2
241.19591	6.3
259.20633	5.2
277.21631	70.3
295.22791	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	295.2271
Annotation	9R-Hydroxy-10E,12Z,15Z-Octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03956	6.5
55.01877	43.4
55.05276	4.3
55.05518	68.8
55.49649	2.7
57.03436	6.0
57.07070	13.5
59.04996	3.2
67.05182	5.5
67.05511	85.9
68.56914	3.1
69.03430	8.9
69.07076	41.6
70.08409	15.8
71.05004	5.5
71.08632	17.5
71.25193	3.3
72.07796	3.0
79.05501	60.8
81.03410	11.4
81.07066	100.0
83.04996	23.2
83.08624	38.1
85.06533	5.9
85.10188	5.4
91.05481	54.6
93.07056	82.1
95.04984	27.2
95.08620	68.1
97.06546	16.4
97.10174	12.3
99.08101	14.5
105.07035	43.2
106.53889	3.8
107.04965	4.6
107.08600	34.1
109.06514	12.7
109.10178	22.4
111.08090	48.9
113.09669	8.7
117.07023	10.0
119.08610	25.1
121.10151	29.4
123.08074	6.5
123.11710	10.0
125.09676	9.6
129.07027	7.8
131.08601	14.6
133.06541	5.7
133.10158	34.4
135.11708	24.3
137.09634	4.8
139.11200	11.5
143.08598	5.7
145.10123	8.7
147.08121	4.5
147.11723	16.9
148.28244	4.0
149.09683	4.9
149.13237	22.4
151.11223	16.1
153.12842	6.6
157.10162	6.6
159.11731	9.6
161.13275	17.7
163.11169	8.1
163.14795	5.7
165.12735	13.7
171.11758	5.6
173.13313	6.5
173.45686	3.7
175.11191	7.2
175.14880	6.2
179.14302	6.1
185.13193	3.9
189.11209	8.1
193.12180	8.1
195.13809	8.1
197.19775	3.1
221.15289	5.2
231.21153	6.2
241.19418	9.6
249.22166	4.2
259.20587	9.1
277.21652	91.8
295.22824	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83407	2.8
53.03925	3.7
55.01668	2.5
55.01880	24.9
55.05516	18.3
57.03441	34.5
57.03879	2.2
57.07088	4.5
59.04995	7.0
61.02930	13.2
61.66810	2.2
65.97672	2.3
66.07132	2.0
67.05507	27.5
69.03435	40.3
69.06725	3.6
69.07076	45.9
69.87811	9.2
71.01341	6.9
71.05001	6.2
71.08634	5.0
72.08170	3.4
73.02920	42.6
74.30618	1.9
79.05506	15.8
81.03432	11.7
81.07063	44.1
83.04982	8.5
83.08630	13.4
85.02913	100.0
85.06561	6.8
85.10201	2.6
87.04481	5.5
91.03972	4.3
91.05478	11.7
93.07050	25.6
95.04976	5.7
95.08614	27.9
97.02903	47.5
97.06532	7.6
97.10180	6.5
99.04443	4.0
99.08077	6.0
99.30818	2.5
102.96881	8.6
103.03940	6.1
105.07021	11.5
105.22163	2.3
107.08590	17.3
108.08117	2.4
109.02890	8.9
109.06508	6.7
109.10164	30.4
111.08101	9.7
111.11708	9.0
113.09628	4.0
115.03948	17.4
119.08590	9.2
121.06485	3.2
121.10143	10.2
123.08083	3.7
123.11701	15.7
125.09624	4.0
127.03909	18.1
129.06979	3.1
131.08624	3.8
133.04976	43.9
133.10152	10.6
135.11687	8.9
137.09607	3.9
137.13281	4.5
139.11198	6.9
143.08514	2.5
145.04956	22.6
145.10147	5.3
147.08057	2.5
147.11690	9.8
149.13286	4.2
151.11206	3.7
153.12750	6.2
161.13261	5.3
162.99030	2.6
163.03975	2.6
163.06064	4.1
165.12813	2.7
167.14326	2.7
171.11678	2.7
174.71170	2.2
179.14284	5.1
193.64137	2.4
214.75977	2.3
240.34212	2.4
241.19560	2.9
249.22229	2.4
259.20578	3.4
264.37622	2.3
277.21634	16.2
277.25296	4.5
295.09869	3.7
295.17365	2.8
295.22766	9.4
295.26370	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1025
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
51.85486	2.1
53.03953	5.9
53.88286	1.8
55.01870	25.0
55.05521	15.3
56.72438	2.0
57.03440	34.5
57.07066	4.5
59.04992	5.4
61.02929	10.7
67.05505	18.5
69.03433	36.4
69.07070	22.5
69.36714	17.3
71.01353	5.4
71.04984	5.5
71.08656	5.0
71.49614	1.9
73.02923	43.1
79.05494	10.1
81.03439	11.9
81.07057	29.1
83.04993	4.4
83.08621	7.6
85.02910	100.0
85.06525	2.7
85.10159	2.1
87.04470	6.7
91.03976	4.2
91.05481	7.9
93.07039	14.5
95.04948	4.1
95.08623	22.2
97.02895	42.0
97.06531	5.4
97.10177	3.1
99.08077	3.7
101.54403	2.0
102.96865	4.3
103.03923	5.7
103.07626	2.2
105.07038	8.0
107.08599	10.2
109.02857	12.0
109.06508	4.0
109.10152	16.5
111.04446	2.0
111.08062	6.9
111.11733	4.7
113.09659	2.4
115.03934	24.6
119.08562	7.4
120.85330	1.9
121.06502	2.4
121.10153	5.2
123.04366	2.1
123.11700	10.5
125.09629	2.3
127.03926	20.3
133.04973	48.0
133.10120	5.5
135.11673	7.3
137.09613	3.2
137.13251	4.4
139.11156	5.7
145.04979	24.9
145.10069	2.4
147.11662	6.2
149.09673	2.6
149.13289	3.3
151.11169	4.3
153.12801	5.6
161.13242	4.6
163.06033	4.1
163.11263	2.8
165.12761	8.1
167.14369	3.0
171.13898	2.0
241.07076	2.8
241.89984	2.3
259.20520	4.1
277.21616	18.6
277.24594	3.1
295.22644	11.6
295.26071	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	295.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01877	1.9
55.05516	15.5
57.03440	7.4
57.07083	5.2
59.05008	2.1
61.02921	1.1
64.21141	0.5
67.05511	15.0
69.03432	26.4
69.07072	100.0
70.06607	1.2
71.01385	0.7
71.04990	2.4
71.08637	2.1
71.50832	0.8
73.02916	2.2
79.05500	6.8
81.03424	5.7
81.07064	28.9
82.07394	0.8
83.04990	2.4
83.08628	8.0
85.02909	17.1
85.06552	2.8
85.10191	0.9
87.04474	10.8
91.05480	3.8
91.79088	0.6
93.07047	11.2
93.47900	0.6
95.04977	2.0
95.08611	18.3
97.02898	15.4
97.06533	5.5
97.10177	4.4
99.04459	4.6
99.08099	3.0
102.96885	0.7
103.03976	2.3
105.07043	6.3
107.04973	0.9
107.08607	7.7
109.02901	1.7
109.06499	2.7
109.10161	19.6
111.08095	2.0
111.11728	26.6
115.03940	12.2
117.05508	0.7
117.07043	1.0
119.08579	4.0
121.06528	1.3
121.10154	9.4
123.04414	1.2
123.08101	3.5
123.11699	11.4
124.12033	1.0
125.09661	1.8
127.03920	3.6
127.11130	1.2
129.12762	2.9
131.08516	0.9
133.04977	11.9
133.10123	3.1
135.11717	2.9
137.09628	2.4
137.13280	3.3
139.11188	20.0
139.12225	1.1
143.08569	0.7
145.04988	7.0
145.10149	1.3
147.08044	0.7
147.11745	3.1
149.09613	1.3
149.13290	3.2
151.03889	0.8
151.07597	0.8
151.11208	1.6
153.09027	0.6
153.12762	0.9
155.08521	0.6
157.12274	2.1
161.04478	1.4
161.09676	0.7
161.13309	0.9
163.14841	2.1
165.12805	1.4
167.10681	1.2
167.14389	0.6
169.04971	1.8
169.12305	0.7
170.19722	0.6
171.11763	0.7
173.13277	0.6
175.14859	1.2
177.16396	1.1
187.06004	0.7
189.16415	0.7
193.05055	0.8
193.15895	0.9
203.18019	1.6
229.07124	0.6
249.18814	0.6
259.08051	1.3
259.20508	1.0
259.24167	1.0
277.09247	1.6
277.18668	1.0
277.21729	3.7
277.25320	5.0
295.17349	0.7
295.26315	18.7
295.29636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01871	2.9
55.05514	16.3
57.03445	8.9
57.07080	6.4
59.04996	3.5
61.02944	1.0
67.05508	15.5
69.03432	37.1
69.07072	100.0
69.79785	4.8
70.06622	1.0
70.61211	0.8
71.01347	1.2
71.04995	3.5
71.06985	0.8
71.08632	2.3
72.08178	1.0
73.02919	2.9
73.03300	0.8
79.05490	7.4
81.03410	7.7
81.07063	32.0
82.07404	0.9
83.04990	2.1
83.08620	10.0
85.02907	22.8
85.06531	2.8
85.10152	1.4
87.04475	12.0
91.05479	3.8
93.07050	11.8
95.04992	2.5
95.08616	17.8
97.02902	19.8
97.06543	5.7
97.10169	3.4
98.20828	1.7
99.04449	6.2
99.08093	2.5
102.96896	1.2
103.03953	4.1
105.07051	6.2
106.01466	0.9
107.04980	1.5
107.08595	9.5
108.41800	1.0
109.02874	1.9
109.06523	2.3
109.10162	24.3
111.04472	2.0
111.08127	1.3
111.11727	28.2
113.09644	1.2
115.03937	19.3
119.08579	5.0
121.06535	1.1
121.10155	10.2
123.04444	1.7
123.08073	3.9
123.11722	11.9
124.11990	1.1
125.09663	3.0
127.03942	6.2
127.11234	1.1
129.12781	3.1
133.04982	17.2
133.10161	3.8
135.11687	4.0
135.89626	0.8
137.09634	2.7
137.13271	3.9
139.03917	1.2
139.11185	20.7
145.04965	8.5
147.11732	2.8
149.13257	2.5
151.03873	1.9
151.11180	1.6
151.14893	1.1
157.04991	0.9
157.12309	2.1
159.11711	1.3
161.04454	1.4
165.12764	2.6
167.10651	1.2
167.14351	1.4
169.04982	3.2
175.11230	1.4
175.14900	1.1
193.15909	1.4
229.07072	1.1
241.07068	1.3
259.08197	1.3
259.20474	1.1
277.09082	3.3
277.21683	5.2
277.25290	4.5
295.09702	1.2
295.26343	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	294.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
55.05508	0.5
57.07084	0.9
66.04715	0.5
67.05510	1.2
69.85737	1.5
71.08623	1.0
79.05504	1.8
80.05839	0.3
81.07062	1.3
91.05490	0.9
93.07029	0.6
94.04218	2.8
95.04983	0.5
97.06535	0.3
98.20814	0.5
100.37032	0.3
105.07043	0.6
106.07365	0.4
107.08598	0.6
108.08948	0.3
109.06548	0.7
117.87784	0.3
122.03664	7.5
123.08081	0.4
137.05991	100.0
138.06297	0.7
141.12766	2.5
141.88969	0.3
158.15445	1.5
170.15514	0.5
175.67247	0.3
238.51248	0.3
255.98572	0.3
276.20428	1.5
294.21039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.36141	0.2
51.69884	0.2
55.01878	0.3
55.05501	0.3
57.07065	0.8
57.10461	0.2
58.02954	0.3
61.24272	0.3
64.45614	0.2
65.57740	0.3
66.04728	0.2
67.05499	0.9
69.07075	0.4
70.79869	0.5
71.08616	0.4
72.49960	0.2
79.05486	0.7
81.03412	0.3
81.07051	2.2
88.59526	0.2
91.05473	0.6
94.04167	2.6
95.04986	0.3
97.10243	0.3
98.21243	0.3
101.81512	0.2
107.04986	0.4
109.06512	0.7
112.03795	0.2
121.10146	0.3
122.02757	0.4
122.03649	7.4
123.11684	1.3
133.24799	0.2
137.05980	100.0
138.06302	0.7
141.12746	0.3
158.15469	1.0
163.76021	0.2
170.15405	2.1
210.12007	0.3
211.88641	0.2
238.11626	0.5
276.20432	0.3
294.20847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2842
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03930	3.9
55.01860	4.0
55.05513	26.4
56.55742	1.0
57.03426	2.3
57.07081	19.0
65.03929	1.8
67.05506	37.4
69.03439	5.7
69.07072	55.6
71.04975	4.3
71.08636	10.5
71.51576	1.8
78.80949	1.1
79.05077	1.7
79.05495	22.5
80.40767	1.2
81.03421	2.9
81.07061	100.0
83.04971	4.3
83.08157	2.0
83.08624	35.8
85.06544	13.8
85.10189	1.8
91.05492	12.1
93.07045	31.2
95.04979	5.9
95.08611	91.7
96.08897	1.1
97.02870	1.2
97.06523	7.3
97.10180	16.5
98.97572	1.1
99.04446	2.0
99.08097	6.8
103.05459	2.9
105.07041	13.3
107.04937	4.6
107.08601	38.0
108.27244	1.1
109.06512	9.0
109.10164	62.8
111.08086	9.6
111.11720	9.8
113.09637	2.2
117.00214	1.0
117.07027	3.0
119.08595	7.6
119.09322	1.5
121.06491	3.1
121.09335	1.6
121.10152	21.1
123.04412	1.2
123.08057	3.2
123.11714	46.8
125.05984	1.6
125.09604	5.5
125.13241	3.8
127.11182	1.1
129.06960	1.7
131.04913	5.0
131.08528	5.9
133.06477	1.0
133.10165	5.9
135.08051	3.9
135.11720	10.7
137.05963	2.3
137.09592	4.6
137.13249	34.7
139.11189	3.1
145.10091	4.1
147.08047	1.7
147.11723	5.2
149.02364	4.0
149.09612	3.1
149.13264	21.9
151.11133	2.7
151.14830	5.4
153.12732	2.5
157.10150	1.5
159.11688	3.5
161.09654	2.2
161.13232	1.6
163.11194	2.7
163.14812	7.4
165.12749	1.0
165.16386	2.6
167.14302	9.2
173.09637	1.4
173.13231	2.6
177.12772	1.1
177.16370	3.0
179.17982	2.9
183.11702	1.4
183.17395	1.5
187.11292	1.5
187.14807	1.9
191.14314	1.3
191.17938	1.6
193.19490	1.4
198.02022	1.0
201.12737	2.0
215.17978	1.7
219.13779	2.2
219.21063	2.7
239.17976	1.2
243.15680	1.2
247.20670	1.4
249.25703	1.7
254.26474	1.0
257.15521	1.7
257.18842	2.4
262.13739	1.0
275.16602	2.0
275.20038	9.2
275.27524	5.8
293.14005	1.7
293.17783	2.7
293.21133	8.4
293.24841	3.6
293.28348	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	293.2477
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.01839	2.8
55.05512	13.2
57.07062	6.8
65.03912	3.7
67.05509	100.0
69.07058	8.3
69.51761	20.5
74.77431	2.3
79.05481	18.5
81.07059	99.2
83.04990	3.1
83.08607	6.9
90.53833	2.8
91.05489	8.3
91.84132	2.6
93.07048	12.9
95.04959	2.9
95.08614	72.8
97.06539	3.4
105.07013	5.4
107.08627	13.2
109.06564	2.6
109.10167	41.0
111.04434	2.9
111.08087	3.3
119.08574	4.8
121.06567	2.5
121.10159	12.7
123.11733	25.4
125.06060	2.6
131.08556	5.9
133.10133	5.1
135.11671	6.2
137.09741	2.5
137.13269	9.5
145.10132	5.0
147.11656	3.2
149.09631	4.3
149.13226	6.2
159.11708	4.3
163.11177	4.0
173.13266	5.3
181.04980	6.3
191.10741	3.5
195.10262	3.0
209.11687	6.0
237.11247	9.4
257.22946	2.7
261.22223	11.7
293.17102	2.2
293.21161	11.0
293.24722	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	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.01863	1.1
55.05516	10.4
55.79464	1.3
57.07071	3.0
59.05005	1.2
65.03940	2.5
67.05508	93.1
68.45049	1.0
69.07076	10.9
79.05497	17.4
81.07063	100.0
81.89308	1.2
83.04971	1.4
83.08615	5.0
83.96162	1.2
85.06560	2.8
91.05482	8.7
93.07051	15.9
95.04950	1.9
95.08613	73.9
97.06518	2.9
97.10146	3.2
104.31532	1.0
105.07037	7.2
107.04993	1.9
107.08604	10.3
109.06483	2.1
109.10168	25.9
111.08065	1.3
113.86172	1.3
117.07011	2.3
119.08591	5.4
121.06499	2.3
121.10157	8.7
123.11724	12.7
123.26094	1.1
131.08557	6.7
133.10143	6.3
135.11685	7.1
137.13249	7.7
145.10178	6.1
147.11647	4.0
149.09674	2.0
149.13251	4.3
151.14787	3.9
153.05467	1.3
159.11725	5.1
161.13240	3.3
163.11194	3.3
163.14839	2.1
165.12712	2.0
173.13338	6.1
177.12758	2.8
179.14224	1.4
181.04913	1.4
187.14783	3.4
191.10635	1.2
191.14294	2.1
198.88446	1.0
205.15866	2.6
209.11662	1.9
219.21069	1.3
221.67361	1.0
231.45384	1.1
237.11229	3.7
237.18556	1.7
243.12682	1.0
243.21236	5.3
257.18958	1.2
261.22263	6.0
293.21176	5.7
293.24756	14.0
296.79587	1.3
303.04044	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03948	10.4
55.01877	17.8
55.05518	31.8
57.03431	5.6
57.07076	20.7
57.96535	2.2
61.14100	2.4
67.05510	65.3
69.03431	5.1
69.07076	28.9
71.04994	9.6
71.08633	3.3
79.05501	44.4
81.03416	20.7
81.07061	63.4
83.04986	16.0
83.08614	20.6
85.06555	11.1
85.10177	3.9
91.05491	40.5
93.07059	40.8
95.04974	31.5
95.08611	40.7
97.02918	3.6
97.06548	12.6
97.10193	5.5
99.04466	3.6
105.07043	38.3
107.04976	15.8
107.08607	38.5
109.06514	11.2
109.10175	27.6
111.04447	11.7
111.08126	11.1
113.05969	3.5
113.09657	4.7
117.07022	11.8
119.08590	23.4
121.06544	11.9
121.10140	18.8
123.04472	5.3
123.08060	19.3
123.11718	7.8
125.06005	2.6
125.09677	6.9
127.07529	2.4
129.07010	2.5
131.08566	15.5
133.10149	30.8
135.08112	7.5
135.11708	16.1
137.09618	59.6
137.13220	2.3
143.08609	4.0
145.10126	16.5
147.08051	3.2
147.11668	11.8
149.09627	16.7
149.13310	4.4
151.11188	22.6
153.12811	5.1
157.10197	3.1
159.08080	3.2
159.11707	9.3
161.09567	6.1
161.13286	3.6
163.11209	14.0
165.09129	9.2
165.12749	4.7
167.10696	3.7
169.12294	2.4
173.09692	2.9
173.13290	6.4
177.12773	7.2
179.10616	3.1
181.12296	4.5
183.11681	2.6
187.11256	4.6
187.14912	2.9
191.10663	4.6
191.14352	4.1
201.16411	2.3
209.11755	8.6
219.13727	3.2
223.13332	6.7
229.19568	7.7
237.11226	8.8
239.18021	3.0
247.07654	4.6
247.20540	15.2
257.19049	12.2
265.21609	3.0
268.75455	2.3
275.20105	75.5
293.21152	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	293.2112
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.03940	3.9
55.01878	6.9
55.03719	1.0
55.05269	1.6
55.05515	21.0
57.03429	3.6
57.07066	3.1
59.04997	2.2
64.75840	1.2
65.03935	3.3
67.05510	40.9
69.03432	9.3
69.07066	16.9
69.25417	8.8
71.04980	3.6
79.05065	2.0
79.05495	25.9
81.03418	4.5
81.07059	48.5
83.04977	9.7
83.08619	12.1
85.02891	1.2
85.06554	5.9
91.05482	18.4
93.07047	31.0
95.04965	20.8
95.08609	30.2
97.06544	11.1
97.10166	5.8
98.20780	1.7
98.97563	1.2
99.08075	2.5
103.05467	4.1
105.04471	1.2
105.07034	21.6
107.04949	10.8
107.08603	24.0
109.02843	1.4
109.06527	13.6
109.10157	33.9
111.04420	2.3
111.08090	5.3
113.06044	1.5
113.09677	1.5
117.07009	6.6
119.08592	21.9
121.06509	14.8
121.09325	2.3
121.10147	25.3
122.07373	1.4
123.04434	100.0
123.08029	5.4
123.11723	7.2
125.09636	13.9
127.07590	2.6
127.11155	1.5
129.07021	2.3
131.04947	4.4
131.08571	8.5
133.06458	2.1
133.10130	15.8
135.08054	14.1
135.11688	9.1
137.05969	3.4
137.09613	7.2
137.13266	1.7
139.03839	1.8
139.11183	4.0
140.10345	1.3
143.08557	2.2
145.06500	2.8
145.10138	12.6
147.04405	3.2
147.08057	5.0
147.11714	11.5
149.02367	3.3
149.05992	36.0
149.09633	10.1
149.13240	5.3
151.07480	1.4
151.11171	5.4
153.09142	3.7
155.08525	1.2
155.10733	1.7
157.10150	3.1
159.08022	1.4
159.11696	7.8
161.05983	7.9
161.09608	3.4
161.13286	3.3
163.07553	49.6
163.11165	11.3
163.14812	2.3
164.07878	1.1
165.09106	3.6
165.12827	3.2
167.10632	1.4
169.10191	1.1
171.11700	2.1
173.09659	2.3
173.13260	9.8
175.07564	18.0
175.11249	2.5
175.14897	3.0
177.09113	2.9
177.12752	3.3
177.16309	1.1
179.10597	6.4
181.12257	1.7
183.11734	2.2
187.11246	2.2
187.14738	5.7
188.15707	1.1
189.09148	2.0
189.12695	2.1
189.16409	1.4
191.03600	1.3
191.14400	3.9
197.13365	2.1
199.14809	2.7
201.12706	2.5
203.14363	1.3
205.12198	1.7
215.14340	1.3
217.15977	1.4
219.13715	1.3
229.19615	3.1
233.15459	2.3
233.18982	1.4
237.14906	1.2
239.18013	3.6
247.20607	4.3
257.15344	7.1
257.19083	7.2
275.16528	11.9
275.20126	52.8
275.23203	2.1
276.20419	1.5
293.21173	60.9
293.24744	8.0
314.53149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.50317	1.1
53.03939	6.0
55.01882	14.1
55.05266	2.0
55.05516	25.0
56.96564	1.8
57.03429	5.1
57.07074	4.4
59.04997	1.9
67.05506	36.9
69.03445	2.3
69.07078	22.8
71.04977	2.1
71.08617	1.9
71.12309	2.1
71.12633	2.5
78.33121	1.6
79.05498	43.6
81.03420	9.6
81.07059	41.8
83.04999	7.9
83.08627	11.9
85.06558	2.1
91.05490	33.4
93.07044	32.7
95.04965	13.0
95.08614	26.8
97.06548	16.8
97.10188	11.9
105.07040	33.8
107.04965	10.0
107.08598	56.1
109.06517	9.1
109.10165	10.8
111.08067	5.0
115.05508	1.7
117.07024	11.0
119.08591	20.0
121.06512	5.7
121.10160	11.7
123.08060	8.4
123.11697	4.1
125.09641	10.7
129.06999	3.3
131.08568	13.3
133.06477	2.6
133.10158	24.6
135.08054	8.3
135.11726	8.9
137.09671	4.1
141.06993	1.7
143.08600	1.4
145.10150	13.4
147.11696	13.4
149.09631	18.0
149.13295	4.1
151.07565	2.8
151.11186	10.6
153.08084	1.6
153.09158	1.5
157.10126	3.8
159.08041	2.0
159.11708	12.3
161.09691	1.6
161.13284	5.5
163.11180	10.2
165.09126	8.3
166.90309	1.4
169.10121	2.9
171.11694	5.1
173.13260	5.7
175.11183	2.9
177.12804	3.7
183.11743	2.0
185.13338	2.1
187.11192	3.1
187.14873	2.5
189.11221	8.2
189.12784	2.9
197.13301	3.1
201.12720	1.9
229.19476	6.5
233.19044	1.9
239.17940	4.6
247.20651	9.6
257.19040	9.1
275.20087	100.0
293.17920	2.2
293.21246	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.83808	1.9
53.03940	4.5
55.01864	8.5
55.05515	27.0
57.03440	3.2
57.07083	3.0
65.03931	3.4
67.05507	47.6
69.03423	3.1
69.07075	25.7
71.05003	4.3
71.46331	1.8
76.18842	2.2
79.05495	35.7
80.85493	1.8
81.03419	8.8
81.06591	3.9
81.07059	64.4
83.04975	6.8
83.08620	18.3
85.06521	1.9
85.15535	1.9
91.05486	26.3
93.07050	31.5
95.04976	13.4
95.08612	32.3
97.06544	11.9
97.10189	10.5
98.20718	3.3
103.05460	2.9
103.85287	2.0
105.07038	36.0
107.04945	8.2
107.08597	37.4
109.06506	16.8
109.10148	17.5
111.08070	5.8
117.07014	9.8
119.08575	23.4
121.06502	6.9
121.10162	16.5
123.08077	10.3
123.11703	6.4
125.09624	12.2
129.06999	2.4
131.04945	3.5
131.08543	14.2
133.10123	19.6
135.08031	6.8
135.11682	9.1
137.09639	7.5
143.08594	2.7
145.10130	14.2
147.08174	2.1
147.11703	17.3
149.09634	16.8
149.13277	4.3
151.11197	8.3
152.14412	2.3
157.10056	3.7
159.08134	2.1
159.11656	9.3
161.09590	3.1
161.13261	6.5
163.11186	10.5
165.09120	6.9
165.12814	2.2
169.10191	2.8
171.11665	2.9
173.13252	6.5
175.11174	3.2
177.12784	4.4
183.11684	2.9
187.11205	3.0
187.14873	3.0
188.29683	1.7
189.11293	3.5
197.13208	1.9
207.13947	2.0
210.44891	1.9
229.19525	6.4
239.17923	5.6
247.20607	8.9
257.18921	15.1
275.20084	100.0
293.21152	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.54817	1.7
53.03946	5.8
55.01868	7.4
55.05318	1.8
55.05516	20.7
57.03435	2.9
57.07070	7.9
57.21334	1.7
58.33994	1.7
58.44086	1.8
65.03931	3.7
67.05508	50.9
69.03454	2.3
69.07071	33.6
71.04980	6.1
75.16312	2.0
79.05496	48.1
81.03405	6.3
81.07059	100.0
81.73405	2.0
83.04981	6.9
83.08630	11.8
85.06538	5.5
89.75666	1.9
91.05487	32.2
93.07046	33.8
95.04977	18.4
95.08056	3.5
95.08606	35.2
97.06525	8.2
97.10146	2.6
98.21279	11.9
99.08022	2.0
105.07037	38.6
107.04956	8.9
107.08591	24.9
109.06520	23.8
109.10168	15.8
111.08076	6.5
115.07571	5.9
117.07006	9.8
119.08577	35.0
121.06516	3.1
121.10147	17.8
123.08096	11.3
123.11724	7.4
125.09643	4.1
126.99513	2.7
128.06255	2.3
129.01031	2.5
129.06996	3.9
131.08578	13.6
133.06479	2.4
133.10136	27.6
135.08058	8.0
135.11687	7.9
137.08626	1.8
137.09595	10.8
141.01016	3.9
145.10158	13.1
147.11696	14.9
149.09639	7.0
149.13287	3.5
151.11206	8.8
155.08646	2.0
157.10133	3.1
159.11708	7.6
161.13231	3.5
163.11172	6.3
163.14809	2.4
165.12814	5.3
171.11749	2.8
173.13272	4.6
175.11163	3.8
181.23466	1.8
183.11684	3.4
197.07314	10.7
197.13220	2.1
229.08858	2.6
229.19647	3.3
237.11293	2.9
237.14896	3.4
239.17947	3.4
247.20612	7.0
257.19016	8.5
275.20068	62.9
291.56912	1.9
293.17850	3.9
293.21109	42.6
294.09976	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03951	6.4
55.01870	5.8
55.05519	22.6
57.03439	6.5
57.07091	2.1
65.03929	2.3
66.65786	1.7
67.05508	45.3
69.03425	2.1
69.07072	23.7
69.45208	13.2
71.04990	6.8
79.05063	3.3
79.05498	41.9
81.03411	6.7
81.07062	100.0
83.04987	5.6
83.08642	11.5
85.06532	3.6
91.04967	3.3
91.05487	33.0
93.07046	30.8
95.04980	19.8
95.08616	26.6
97.06547	8.4
97.10174	2.3
99.08134	2.8
101.15498	1.7
103.05484	2.2
105.07043	33.7
107.04958	7.1
107.08597	24.9
109.06533	29.0
109.10178	15.1
111.08106	4.4
111.63466	2.3
117.07027	10.3
119.08590	30.4
121.06535	4.1
121.10141	15.0
123.08069	17.3
123.11701	7.2
125.09643	3.0
125.93137	1.8
129.07031	2.8
131.08578	11.4
133.10144	24.0
135.08049	9.0
135.11662	9.0
137.09615	9.8
143.08539	2.7
145.10118	11.0
147.08047	2.2
147.11694	19.2
149.09677	9.9
149.13268	3.8
151.11209	4.7
155.08580	2.8
157.10197	2.6
159.11711	9.0
161.13290	3.3
163.11218	8.3
165.12761	4.7
173.13242	5.8
175.11179	2.2
177.12804	4.3
183.11699	4.0
202.82280	1.7
207.13779	1.9
210.51437	1.8
229.19481	3.8
237.14871	2.8
239.18144	2.8
247.20502	4.5
257.19000	8.6
275.20102	61.1
293.21149	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.33963	1.6
53.03949	4.8
55.01880	10.6
55.05513	36.1
57.03430	2.8
67.05507	26.4
69.03438	4.5
69.07066	14.0
70.68594	2.7
71.05005	1.9
76.30823	1.6
79.05497	54.2
81.03416	5.7
81.07062	28.3
83.04973	4.7
83.08621	15.1
85.06574	2.1
91.05486	35.4
93.07046	24.9
95.04972	5.0
95.08606	14.6
97.06538	12.8
97.10159	18.5
105.07040	38.4
107.04958	13.0
107.08595	100.0
109.06518	6.9
109.10175	9.5
111.08102	2.3
117.07045	8.8
119.06036	3.4
119.08586	19.0
121.06515	2.1
121.10150	13.0
123.08043	4.0
123.11691	1.8
125.09628	21.8
131.08551	12.1
133.10141	19.2
135.08067	4.4
135.11711	7.9
143.10616	2.9
145.10130	13.9
147.11702	15.3
149.09621	16.1
151.11211	4.2
153.12779	2.0
156.53764	2.0
159.11694	6.5
161.13249	2.5
163.11197	5.6
165.09161	4.4
165.12996	1.7
171.10213	2.6
171.11678	2.5
173.11774	1.8
173.13280	4.1
181.12234	3.0
183.11792	1.9
187.11197	2.3
189.11238	16.1
197.13213	1.9
229.19633	3.4
232.47101	1.8
239.17801	3.9
247.20758	3.1
257.19006	10.5
275.20078	87.0
293.11951	1.6
293.21124	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01883	22.9
55.05519	46.9
57.07082	3.4
63.61982	2.3
65.03947	3.6
67.05508	41.7
67.75915	2.4
69.07075	22.6
70.72215	2.9
70.95734	4.8
71.04991	4.7
79.05500	74.7
81.03426	4.8
81.07061	35.5
83.04966	12.0
83.08630	20.3
91.05492	33.3
93.07056	38.8
95.04976	7.6
95.08625	11.9
97.06528	28.0
97.10175	25.9
105.07037	30.2
107.04958	35.6
107.08607	53.5
109.02866	2.8
109.06547	4.4
109.10159	18.7
111.08079	5.3
117.07031	10.5
119.08598	22.7
121.06512	6.0
121.10167	17.8
123.08125	3.1
123.11691	3.5
123.93365	2.2
125.09651	35.5
131.08540	11.9
133.10152	19.0
135.08076	10.3
137.09604	3.1
145.10136	8.0
147.11726	12.3
149.09627	83.0
153.09137	6.4
155.10710	3.1
159.11731	6.3
161.13243	4.5
163.11191	6.6
169.12292	2.5
171.10208	4.3
173.11833	4.5
173.13232	6.0
189.11197	20.2
209.11681	6.0
215.14326	3.0
229.19577	9.4
237.11192	8.5
247.20679	3.2
248.82101	3.4
257.19012	22.6
275.20099	100.0
293.21204	16.9
294.57611	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03952	36.1
55.01876	28.8
55.05516	34.5
57.03437	12.2
57.07055	17.3
60.55100	5.8
67.05505	74.9
69.07080	50.0
70.98835	5.9
74.24123	5.7
79.05495	57.7
81.03412	48.6
81.07060	100.0
81.33438	6.7
83.04967	10.6
83.08620	20.3
91.05482	68.1
93.07059	62.2
95.01327	16.5
95.04961	24.7
95.08627	62.8
96.85245	6.1
97.06522	36.0
97.10180	6.6
97.33083	6.2
105.07039	99.5
107.04958	27.5
107.08601	35.8
109.06512	8.8
109.10153	18.1
111.04445	6.3
117.07008	12.6
119.08586	49.5
121.06499	11.0
121.10120	20.4
123.04372	6.3
123.08062	16.9
131.08565	34.1
133.10136	46.8
135.11694	17.6
137.09514	7.4
145.06488	7.4
145.10130	22.0
147.11723	23.8
149.09630	16.0
151.11165	11.5
153.05515	8.9
159.11644	24.1
163.11177	8.6
169.10143	7.1
177.12720	8.4
179.14265	11.7
187.11165	12.9
191.10561	6.6
209.11732	15.0
229.10426	7.1
237.11191	26.5
247.20648	8.4
275.20023	74.6
293.21304	69.3
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	12-OPDA
Peak:m/z	Relative Intensity
53.03937	2.7
55.01869	5.4
55.05274	1.4
55.05513	13.4
56.82805	1.3
57.03416	1.7
57.07079	3.3
58.54350	1.1
65.03928	2.2
67.05503	27.5
69.03419	1.7
69.07072	22.0
71.04981	2.4
79.05492	17.8
81.03445	1.2
81.07062	33.6
83.04984	9.3
83.08611	5.0
85.06527	1.9
91.05486	19.3
93.07043	23.0
95.04959	9.4
95.08064	1.5
95.08614	19.3
97.06505	4.2
97.10165	2.0
105.07034	25.3
107.04951	6.5
107.08601	13.2
109.06510	10.5
109.10152	10.4
110.97575	1.3
111.08086	2.7
117.07047	6.0
119.08575	12.4
121.06519	8.5
121.10136	9.7
123.08066	4.6
123.11729	3.2
125.09637	1.5
129.07045	1.7
131.08574	14.3
133.06467	2.2
133.10126	14.8
135.08035	3.5
135.11700	4.1
137.09663	2.2
141.07089	1.5
145.06485	2.5
145.10127	12.0
147.08057	3.1
147.11691	11.5
149.09637	4.1
149.13272	3.4
151.11176	5.8
157.10143	1.8
159.08054	1.8
159.11691	6.0
161.09599	3.4
161.13261	3.2
163.11188	5.2
165.12753	2.3
169.10110	1.9
171.11670	3.3
173.09648	1.7
173.13246	4.7
175.11113	2.6
177.12756	2.3
183.11717	3.6
185.13257	1.2
187.11208	2.5
191.14244	2.0
197.13284	1.8
201.12738	3.8
207.13811	3.6
215.18004	1.5
219.13795	5.1
229.19597	2.8
231.17450	1.5
233.11485	1.3
237.24060	1.4
239.18007	1.5
247.20628	3.6
257.18985	16.2
259.03296	1.2
275.20068	100.0
293.21115	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	293.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.5
55.01873	4.6
55.05515	9.7
57.03439	2.3
62.63092	1.0
65.03931	2.0
67.05508	28.5
67.70579	0.9
69.03436	2.4
69.07072	8.7
69.38602	7.8
71.04987	2.3
78.72832	0.9
79.05498	15.5
81.03434	2.6
81.07065	30.8
83.04980	4.3
83.08614	6.0
85.06573	1.6
91.05485	10.1
93.07046	16.4
95.04976	11.5
95.08613	20.1
95.85744	1.0
97.06535	5.3
97.10172	3.7
98.20757	1.9
99.04504	1.2
99.08104	1.2
103.05424	2.3
105.04549	1.0
105.07052	12.0
107.04974	10.1
107.08599	14.8
109.06518	7.2
109.10152	15.0
111.04451	1.1
111.08070	1.9
113.09612	1.1
115.05434	1.0
117.07027	4.5
119.08591	9.7
121.06532	9.3
121.10164	11.8
123.04437	100.0
123.08086	3.1
123.11732	3.8
125.09650	5.4
127.11215	1.1
129.06956	2.7
131.04941	2.8
131.08585	5.2
133.06589	2.2
133.10138	8.1
135.04485	1.6
135.08060	10.8
135.11682	4.7
137.05946	1.3
137.09650	3.2
137.13269	2.0
139.03973	2.1
139.11224	1.3
143.08614	1.0
145.06499	3.2
145.10159	4.5
147.04430	4.1
147.08046	2.6
147.11703	5.7
149.05994	47.4
149.09575	5.7
149.13313	1.6
151.11150	1.3
155.08563	1.8
157.10121	2.0
159.08093	1.3
159.11687	2.7
160.05208	2.2
161.05980	9.9
161.09756	1.5
163.07556	61.6
163.11215	4.3
163.14815	1.1
165.09131	1.6
165.12711	1.8
169.10155	1.7
171.11728	1.6
173.05988	1.7
173.09735	1.8
173.13264	3.1
175.07578	20.4
175.11255	1.0
177.09154	2.2
177.12770	1.9
179.10703	1.0
189.09099	4.7
189.12778	1.0
191.14325	1.5
229.19531	1.2
239.17812	1.8
247.20506	1.4
257.15442	8.6
257.18945	3.3
275.16479	15.2
275.20093	24.5
293.17877	1.5
293.21167	18.5
293.24698	3.0
313.57361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1385
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03951	1.3
55.01863	0.7
55.05517	18.0
57.03430	0.5
57.07074	0.5
59.04987	0.5
65.03933	1.3
67.05508	2.9
69.03420	0.9
69.07073	2.6
69.41496	1.9
70.06587	0.2
71.04983	0.9
73.06562	10.0
78.86497	0.2
79.05497	2.2
80.83826	0.2
81.03432	1.3
81.07064	5.8
83.04982	0.7
83.08624	0.8
85.06533	0.4
91.05476	1.8
93.03394	0.5
93.06493	0.2
93.07051	3.5
95.04972	0.9
95.08612	3.4
97.02842	0.2
97.06512	0.6
98.03625	0.2
98.76144	0.2
98.97595	0.4
99.04472	0.5
99.08093	0.3
102.70953	0.2
103.05468	0.8
105.07043	2.0
107.04951	0.9
107.08599	2.0
109.02884	0.6
109.06526	0.8
109.10155	3.1
111.04455	0.4
111.08093	0.6
116.07082	0.4
117.07027	0.8
119.08589	1.5
121.02879	5.6
121.03967	0.8
121.06502	0.7
121.10165	2.5
123.04448	0.5
123.08068	1.0
123.11717	1.9
125.06059	0.2
125.09634	0.6
129.06996	0.5
131.04942	2.3
131.08612	1.0
133.06502	0.3
133.10141	1.5
135.08073	0.6
135.11678	1.1
137.09605	1.2
137.13229	0.5
139.11197	0.4
143.08566	0.3
145.06487	0.5
145.10141	1.0
147.04390	0.5
147.08063	0.4
147.11691	0.6
149.02353	100.0
149.09650	1.1
149.13313	0.6
150.02669	0.7
151.11302	0.5
157.06499	0.4
157.10149	0.4
159.08061	0.3
159.11671	0.5
161.09653	0.7
161.13261	0.3
163.03940	0.9
163.11203	0.6
167.03395	1.8
169.10170	0.2
173.06059	0.2
173.09517	0.2
173.13278	1.1
175.07593	0.9
177.12740	0.4
183.11629	0.3
190.05118	0.2
191.14264	0.4
201.12825	0.3
203.07080	0.7
219.13835	0.3
221.08104	6.8
221.10167	0.4
257.19043	1.0
275.12930	0.3
275.17059	0.3
275.20132	2.1
275.23080	0.4
276.24081	0.2
293.03003	0.3
293.08630	0.4
293.13901	7.0
293.21347	1.0
293.24847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0547
Annotation	1,6-Dinitropyrene
Peak:m/z	Relative Intensity
56.96303	3.5
56.96567	59.3
57.39284	2.2
57.62772	2.1
68.06515	2.0
69.03423	5.3
69.75460	11.8
70.98100	2.5
84.96039	27.6
85.02886	6.7
95.64581	2.1
97.02873	4.7
98.20849	3.9
98.97586	59.5
101.00881	3.7
108.99600	2.3
109.02863	2.0
110.97576	100.0
112.99127	4.0
116.98658	15.4
118.40813	1.9
119.01849	2.5
124.99117	5.7
127.00658	6.1
128.97688	4.2
128.98608	57.4
131.00111	3.5
138.05490	2.9
140.97543	1.5
140.98595	44.3
143.00156	10.8
144.98074	3.8
145.01685	3.8
146.99614	15.8
152.98590	24.3
156.98082	2.5
158.99651	25.1
161.01376	2.3
161.02942	3.1
163.02733	2.7
165.00876	2.0
165.41362	2.0
170.99677	33.6
173.01189	3.0
173.02980	2.6
177.00717	5.7
182.99666	38.4
183.04077	2.3
189.00700	12.4
191.02304	2.5
201.00714	75.2
203.05806	2.3
219.01775	53.5
237.02831	33.2
251.04388	32.2
261.02835	16.9
269.05457	15.2
279.03995	7.0
293.05453	85.1
293.11700	2.7
311.06448	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	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58747	3.3
57.74341	3.8
69.26273	33.9
98.21538	7.1
101.00881	8.8
108.48231	3.2
143.01936	23.9
155.01913	6.7
161.02914	11.8
173.02939	12.6
185.03004	4.7
203.04073	7.6
293.06210	100.0
296.93109	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	293.1232
Annotation	Itoside L
Peak:m/z	Relative Intensity
52.74548	1.4
53.03953	2.1
55.01879	1.7
55.05523	1.7
56.96565	6.4
57.03433	5.5
57.07079	10.4
59.04993	2.1
60.35527	1.3
61.02940	9.3
65.55545	1.5
67.05509	19.9
69.03430	14.5
69.07066	3.2
69.90665	7.3
70.06585	2.7
71.05006	7.4
73.02924	2.8
79.05482	2.7
81.03422	6.4
81.04940	1.6
84.04498	3.0
85.02908	82.2
85.06554	8.9
91.03944	4.3
91.05479	1.8
95.04974	26.9
97.02896	16.4
98.97577	3.6
99.04466	1.7
105.07020	2.1
107.04945	2.4
109.02878	7.6
110.97553	3.5
113.06010	51.8
116.98598	2.6
119.04983	2.1
120.08141	1.6
123.04420	2.2
127.03927	16.8
128.98622	2.5
129.95996	1.4
131.07045	100.0
140.98575	2.4
143.38661	1.5
145.04958	16.0
152.75253	1.4
153.01831	2.2
161.07037	3.3
163.03932	6.2
163.06047	1.5
163.92355	2.0
177.01900	3.6
191.03461	7.8
201.00690	2.0
205.01347	3.9
219.02934	15.7
247.02341	4.4
247.04848	2.2
251.04451	1.6
251.08180	1.7
265.03271	2.0
269.05634	1.6
275.01831	3.4
293.02753	7.5
293.05792	3.3
293.11081	2.8
293.14569	2.2
311.06491	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	292.1542
Annotation	syn-3-Isopropyl-6-(4-methoxybenzyl)-4-methylmorpholine-2,5-dione
Peak:m/z	Relative Intensity
50.64957	0.3
53.25018	0.3
55.01871	0.5
70.84563	0.9
71.01340	0.8
73.02908	0.8
85.01614	0.3
91.05483	0.5
98.10541	0.3
99.00825	0.8
103.05509	0.4
109.02821	0.4
117.05725	0.7
118.06544	7.1
120.08105	1.6
124.04787	0.3
130.06546	0.4
131.07335	0.6
132.08087	3.6
133.08893	1.0
134.09665	0.5
144.08090	2.1
146.09618	2.3
158.09622	0.7
160.11221	1.3
166.08615	0.3
172.11229	0.7
176.14354	13.8
186.09113	0.5
188.07072	2.2
190.08641	8.1
192.33069	0.3
202.08615	1.3
202.15918	13.7
203.09613	0.3
204.10217	3.9
205.11069	0.4
216.10167	0.6
218.11780	3.0
230.11778	0.4
234.07649	4.3
246.14909	14.2
248.09210	3.4
248.16467	6.8
249.10005	0.6
262.10733	2.5
274.14355	2.2
291.60263	0.3
292.15436	100.0
293.15790	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03943	3.7
55.05272	2.3
55.05515	28.6
56.96551	3.4
57.03438	2.2
57.07083	16.2
59.04996	2.0
60.11087	1.5
63.12797	1.2
63.66504	1.2
67.05140	1.6
67.05511	37.1
69.03424	4.5
69.07073	60.4
70.90633	1.4
70.90974	3.4
71.04977	5.5
71.08633	10.8
72.10646	1.3
72.31660	1.1
73.39868	1.3
74.48403	1.3
79.05499	19.7
81.03447	6.6
81.07063	100.0
83.04976	4.2
83.08627	27.8
85.06554	2.2
85.10190	1.6
86.64463	1.1
87.33242	1.3
91.05491	16.3
93.07049	45.3
95.04979	7.9
95.08612	99.7
97.00735	1.3
97.06556	7.8
97.10179	12.3
98.97577	7.9
99.04443	1.6
99.08104	2.0
103.05493	1.7
104.41678	1.6
105.07036	27.1
107.04937	1.9
107.08601	45.9
109.06525	10.8
109.10163	56.1
111.08089	5.6
111.11713	12.0
116.98605	2.5
117.07053	2.3
119.08579	19.2
121.09328	2.7
121.10152	35.5
123.04432	2.3
123.08089	4.4
123.11716	34.5
125.09627	4.9
125.13239	2.8
131.08560	3.7
133.10129	15.5
135.08073	3.9
135.11697	23.9
136.19092	1.6
137.09602	2.7
137.13263	20.6
139.03874	1.7
139.11205	6.7
143.00189	2.0
143.03763	1.6
145.10143	3.4
147.04457	2.5
147.08060	1.8
147.11699	19.3
147.20511	1.5
149.09604	4.8
149.13268	21.3
151.07538	4.8
151.11180	3.1
151.14828	6.5
151.39908	1.3
153.12732	7.7
157.10172	1.9
158.99660	1.7
161.13255	10.2
163.14848	17.7
165.12770	5.9
165.16454	2.9
167.10657	19.4
167.11938	1.9
167.14352	2.6
171.11667	2.1
173.13307	2.1
175.11186	2.2
175.14885	6.5
177.16393	7.7
179.03146	1.3
179.14307	1.6
179.18016	2.2
189.16447	4.3
191.10634	2.4
191.17955	5.5
203.17989	4.2
207.13861	1.7
217.19521	9.0
221.19057	1.7
233.15364	4.8
233.22643	1.9
237.23314	1.4
247.24315	1.6
261.08951	1.3
273.18478	3.9
273.25751	26.3
273.28552	2.1
291.19769	10.4
291.26843	80.3
309.74603	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.23233	1.2
53.03938	3.6
55.01868	2.9
55.05514	30.8
56.96566	1.5
57.03424	2.4
57.07079	15.4
59.05008	1.9
60.81895	1.0
65.03944	2.0
67.05510	33.5
69.03432	5.3
69.07073	67.9
71.04977	5.1
71.08638	6.1
71.11987	2.9
79.05076	1.5
79.05502	19.1
81.03413	2.2
81.07061	100.0
82.37875	1.0
83.04959	2.7
83.08155	1.7
83.08628	26.3
84.04485	1.6
85.06553	10.0
88.57676	1.1
91.05479	13.7
93.07050	40.7
95.04963	4.3
95.08614	87.5
97.06542	11.5
97.10165	9.6
98.97575	6.2
99.08076	4.9
105.07037	18.9
107.08601	57.3
109.06532	2.7
109.10165	50.9
111.08108	11.8
111.11730	6.3
113.09677	1.9
116.98534	1.3
117.07021	1.8
119.08600	14.7
121.06482	1.5
121.10151	35.2
123.04411	4.5
123.08077	2.9
123.10832	2.6
123.11715	47.1
125.09613	4.1
125.13248	1.7
131.08533	2.2
133.10126	9.5
135.08101	1.5
135.11696	26.6
137.09616	2.3
137.13255	21.2
139.03891	4.4
139.11168	4.9
145.10211	1.2
147.04398	2.7
147.11693	12.6
149.09547	1.2
149.13275	33.1
151.11185	2.3
151.14815	3.9
153.12740	9.1
157.10196	1.5
159.11653	1.6
161.13278	9.1
163.14838	18.4
165.12755	4.1
167.14357	2.6
175.14786	4.5
177.16408	7.0
179.14328	2.8
179.18066	1.3
185.35735	1.2
187.14783	1.1
189.16411	3.1
191.17944	4.2
203.17955	4.5
205.19493	1.6
217.19533	5.3
221.19098	2.0
222.64642	1.2
235.20543	3.5
247.23991	1.3
249.18681	1.1
273.18582	2.1
273.25766	12.0
291.16168	2.4
291.19589	5.0
291.26819	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	291.2684
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.54271	1.0
53.03934	3.0
55.01865	2.5
55.05515	27.3
56.96569	2.3
57.03420	1.8
57.06834	1.2
57.07079	16.2
59.04992	2.0
65.03931	1.5
67.05509	35.0
68.58855	0.9
69.03440	5.0
69.07071	65.2
69.94023	2.1
69.94417	2.4
71.04996	5.9
71.08640	8.2
79.05497	22.6
81.03423	2.7
81.07060	100.0
82.07397	1.0
83.04969	2.9
83.08153	1.8
83.08622	27.4
84.04491	3.4
85.02906	1.2
85.04847	2.2
85.06541	11.0
91.05483	11.9
93.07050	51.1
95.04958	4.0
95.08612	95.7
96.08946	1.2
97.06538	9.4
97.10172	9.8
98.97594	7.4
99.08096	4.4
105.07035	19.7
106.97894	0.9
107.08598	54.8
109.06528	4.8
109.10159	54.8
111.04421	1.1
111.08096	14.1
111.11736	6.3
113.09652	1.3
116.98625	1.9
117.07046	1.6
119.08582	18.5
121.10146	35.5
123.04416	4.4
123.08062	2.9
123.11711	42.5
125.09608	4.7
125.13245	2.5
125.19740	1.0
127.11272	1.2
131.08540	2.5
133.10123	10.0
135.08052	2.2
135.11696	29.2
137.09610	2.1
137.13258	19.9
139.03909	3.7
139.11217	5.1
143.08565	1.0
145.10130	3.3
147.04411	3.1
147.11705	11.4
149.09651	1.9
149.13264	31.3
151.11195	1.9
151.14894	4.5
153.12721	8.8
157.10150	1.6
161.09572	1.1
161.13281	8.9
162.84560	0.9
163.11182	1.1
163.14830	17.8
165.05545	1.5
165.09137	1.0
165.12749	4.1
165.16466	2.0
167.14308	2.1
171.11760	1.0
173.09570	1.0
175.14798	5.8
177.00610	1.0
177.16373	11.4
179.14319	2.9
179.18010	1.1
181.15858	2.1
182.99475	1.0
189.12692	1.1
189.16409	4.4
191.17966	4.0
193.15883	1.4
203.17966	4.7
205.19527	2.5
209.19011	1.7
217.19519	4.3
219.20912	1.6
221.19035	1.1
235.20596	1.7
247.24287	2.3
268.70868	1.0
273.18384	2.3
273.25766	12.7
291.16257	1.8
291.19632	5.9
291.26828	57.4
292.27240	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03943	6.2
55.01863	2.7
55.05273	1.4
55.05513	19.5
57.07058	2.4
59.04984	2.2
59.88227	0.8
65.03940	1.8
67.05508	42.5
69.06743	1.4
69.07075	19.7
73.06541	1.7
76.17642	1.0
77.03925	1.9
79.05498	77.3
81.07060	49.2
83.04970	1.5
83.08643	9.4
85.06532	4.6
90.71941	0.9
91.05482	33.5
93.07048	100.0
95.04958	5.4
95.08611	35.0
97.06523	3.3
97.10161	4.9
99.08086	2.3
105.04493	2.2
105.07037	18.6
107.04971	1.3
107.08601	59.9
109.06494	3.7
109.10163	14.9
111.08077	2.5
111.11707	1.0
112.56399	0.9
115.07564	1.1
115.14973	1.0
117.06990	3.0
119.07824	1.1
119.08592	19.1
121.06450	1.2
121.10149	46.2
123.08048	2.5
123.11690	5.0
129.06985	2.7
131.08565	6.6
133.06458	1.2
133.10136	13.8
135.08009	3.0
135.11697	55.9
137.09589	2.3
143.08540	3.0
145.10138	6.5
147.08125	1.1
147.11693	12.0
149.09570	3.9
149.13268	35.9
157.10115	2.8
159.11699	4.8
161.09572	1.8
161.13289	9.0
163.11163	3.9
163.14828	10.5
171.11667	4.3
173.13252	2.9
175.11185	1.3
175.14888	4.3
177.12701	2.4
177.16379	1.5
185.13301	2.4
189.12741	2.4
195.13800	1.2
199.14767	1.8
203.14296	1.9
207.13858	1.1
209.15375	2.6
213.16391	2.7
214.73700	1.0
215.18111	1.2
217.19553	2.2
221.15338	2.0
231.17444	2.1
231.21051	1.5
235.16890	1.2
241.19591	5.5
241.21664	1.0
249.18510	2.8
259.20679	8.9
265.88812	0.9
273.18472	1.4
291.19525	10.5
291.23126	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03948	1.6
55.05513	6.8
57.07066	2.9
59.04987	2.1
61.61391	1.1
67.05493	4.8
68.14356	1.2
69.03425	2.5
69.07064	1.8
71.04974	3.5
79.05502	7.2
79.05893	1.4
81.07067	7.9
83.04954	2.9
83.08627	7.1
84.47693	1.1
85.02885	1.1
85.06539	3.6
89.10564	1.0
91.05488	5.0
93.07055	12.1
95.04986	6.3
95.08609	15.0
97.06522	3.5
98.20641	1.7
100.71361	0.9
100.72055	1.3
105.07029	10.2
107.04964	11.7
107.08599	8.0
109.06554	6.6
109.10182	2.5
109.33723	1.1
111.08091	40.6
113.09631	1.8
117.07053	1.2
119.08586	8.0
121.06498	3.5
121.10150	4.7
122.07333	1.5
123.07205	2.2
123.08079	39.8
125.09625	1.5
129.06953	1.1
131.08574	6.7
133.06488	2.8
133.10114	6.4
135.08035	4.4
135.11688	2.2
137.09615	2.2
140.38338	1.0
141.05467	1.6
143.08569	1.2
145.10123	3.8
147.08037	3.0
147.11703	5.0
149.09637	7.0
151.07553	100.0
155.10672	1.6
155.34480	1.1
156.09297	1.3
157.10120	3.7
159.08032	1.9
159.11661	1.3
161.09622	3.3
163.11188	3.4
167.10730	1.6
171.11670	3.6
173.09692	1.5
173.13251	6.0
174.10432	1.2
175.11180	4.0
177.09126	2.3
179.10660	3.9
181.12228	1.5
189.12749	26.2
189.14442	1.5
191.10748	1.6
191.14352	10.5
192.11414	3.2
197.11729	12.5
197.13326	2.7
207.13820	64.9
213.16396	1.2
215.14413	2.7
217.12315	3.8
229.12900	1.3
233.15390	29.6
235.13344	2.0
249.18562	1.4
255.17392	1.6
273.18549	5.5
286.08685	1.1
291.19543	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	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
52.11313	0.5
53.03941	0.9
55.01866	1.9
55.05518	4.3
57.03429	1.2
57.07076	3.5
59.04998	2.2
67.05511	6.1
69.03418	1.6
69.07061	2.4
70.06578	1.0
70.22737	2.4
71.04979	2.3
79.05492	5.7
81.03442	1.2
81.07063	8.5
83.04993	1.6
83.08619	4.0
85.06554	2.9
88.07658	1.0
88.84022	0.7
91.05486	6.0
93.07050	10.1
95.04958	3.8
95.08609	14.1
97.06537	3.0
98.20814	0.6
102.09167	1.0
105.07037	10.5
107.04948	4.6
107.08605	8.3
108.05757	0.8
109.06522	7.5
109.10165	4.0
111.04498	0.6
111.08089	23.7
113.05972	0.9
113.09651	0.9
117.07011	2.3
119.08588	9.0
121.06490	2.8
121.10150	5.7
121.22365	0.7
122.07273	1.3
123.08076	32.9
123.11684	1.0
125.03894	0.7
125.09639	1.2
129.07016	0.9
130.07809	1.0
131.08565	4.6
133.06537	4.2
133.10130	8.3
135.08070	5.8
135.11728	3.0
137.09631	3.3
142.07797	1.5
143.08560	2.7
144.09343	1.1
145.10124	13.6
147.08029	3.1
147.11708	5.8
149.09621	4.6
151.07550	100.0
153.09123	1.0
155.10664	1.3
156.09366	1.4
157.10114	4.1
158.10860	0.7
159.08026	1.8
159.11694	2.3
161.09610	3.8
161.13252	2.7
163.11211	3.3
165.09160	1.1
169.10098	1.2
171.11725	3.3
172.12486	1.0
173.09618	1.8
173.13274	4.6
174.10367	2.2
175.11212	3.7
177.09148	1.9
177.12770	2.1
179.10674	5.4
181.12296	1.5
185.13297	1.4
187.11180	3.1
187.14793	1.6
189.12756	26.6
191.10710	1.0
191.14320	5.0
192.11475	4.2
195.11723	1.0
197.11755	14.4
197.13326	1.8
199.11250	0.8
203.14290	1.7
205.12325	0.8
207.13811	64.3
208.14169	0.9
213.16386	1.8
215.14336	3.8
217.12271	3.1
228.60786	0.6
229.23532	2.1
231.17514	1.4
233.15363	12.7
235.13283	2.2
249.18492	0.8
255.17493	2.9
273.18570	7.3
291.19556	43.0
291.27039	5.7
292.19858	0.9
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	Ecklonialactone A
Peak:m/z	Relative Intensity
51.72789	0.3
53.03945	1.2
55.01879	2.1
55.05280	0.4
55.05516	6.6
57.03433	0.7
58.64512	0.3
59.05003	0.3
65.03937	0.5
67.05504	5.7
69.03419	1.2
69.07079	3.4
71.04984	0.9
71.51853	0.5
79.05495	7.9
81.03418	0.9
81.07059	6.7
83.04971	1.3
83.08624	3.0
90.00432	0.3
91.05482	6.9
93.07047	7.2
94.04169	0.5
95.04967	2.6
95.08615	2.9
97.06528	0.7
97.10166	3.3
105.07040	6.4
107.04961	2.8
107.08606	4.6
108.05749	0.4
109.06512	2.1
109.10160	1.3
111.08043	0.6
115.05405	0.5
116.06259	0.4
117.07027	2.8
119.04929	1.7
119.06161	0.3
119.08586	4.8
120.05711	0.5
121.06517	2.6
121.10141	1.7
123.04432	0.7
123.08078	1.5
123.11713	0.3
125.09615	1.3
128.06334	0.3
129.07019	1.6
130.07826	0.5
130.78568	0.3
131.08577	3.1
133.06496	3.4
133.10133	1.8
134.07263	0.9
135.08052	2.8
135.11693	0.8
137.09650	0.4
142.07770	0.4
143.08546	1.3
145.06442	0.7
145.10170	2.8
147.08052	3.5
147.11662	0.6
149.09621	1.2
151.07567	0.4
157.10133	1.0
159.11725	0.6
161.09654	1.4
162.10378	1.8
163.11157	1.0
165.08983	0.3
171.11728	0.3
175.11188	1.3
181.03374	0.3
189.12753	0.7
217.15878	0.3
223.13292	0.9
227.17873	0.3
245.19048	0.5
249.14935	2.5
255.17441	0.4
261.14877	0.5
263.16565	0.3
263.20248	0.2
273.18460	3.2
291.19556	100.0
292.19897	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03951	1.5
55.01881	2.6
55.05273	0.6
55.05516	8.0
57.03426	0.6
57.07062	0.5
57.47147	0.3
59.04998	0.4
67.05511	5.0
69.03416	1.4
69.07070	2.8
70.93752	0.9
71.04996	0.7
79.05074	0.7
79.05499	7.9
81.03408	1.4
81.07064	6.3
83.04969	1.0
83.08627	3.6
85.06542	0.4
91.04993	0.5
91.05495	6.3
93.06498	0.4
93.07052	5.6
93.57490	0.3
94.04198	0.4
95.04974	3.4
95.08615	3.1
97.06522	0.8
97.10177	3.5
101.08725	0.3
103.05456	0.4
105.03412	0.5
105.07042	5.8
107.04969	3.1
107.08611	3.1
108.05764	0.4
109.06513	1.4
109.10141	1.3
111.08105	0.7
115.05424	0.6
116.06247	0.4
117.07034	3.2
119.04965	1.8
119.08585	5.6
120.05724	0.6
121.06533	1.8
121.10161	1.7
123.04419	0.7
123.08060	1.2
125.09657	2.2
128.06215	0.5
129.07018	1.7
130.07788	0.7
131.04848	0.4
131.08571	3.2
133.06494	4.4
133.10130	1.1
134.07259	0.7
135.08081	1.6
137.09596	0.4
142.07811	0.4
143.08562	1.6
143.17078	0.3
145.06470	0.5
145.10143	2.7
147.08043	4.3
147.11707	0.5
149.09628	1.2
157.10109	0.9
159.11681	0.6
161.09621	1.4
161.13376	0.4
162.10385	1.2
163.11188	1.0
165.09116	0.4
171.11665	0.6
171.65599	0.4
175.11197	1.0
177.12762	0.4
189.11234	0.7
191.14221	0.3
223.13324	1.0
233.15570	0.4
245.18929	0.5
249.14908	2.5
249.18626	0.6
261.14703	0.6
262.15585	0.6
273.18536	3.5
291.19562	100.0
292.20029	0.9
300.99210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03935	2.4
55.01857	5.1
55.05520	14.3
57.03429	2.7
57.07058	2.8
59.04987	3.1
65.03915	1.7
65.63586	1.2
67.05186	1.4
67.05509	20.5
69.03412	3.1
69.07076	8.5
69.62902	1.2
70.17419	2.5
70.17807	4.3
71.04989	3.1
74.04810	1.3
79.05079	1.7
79.05501	21.9
81.07059	25.5
83.04966	3.1
83.08605	5.2
85.06526	3.1
91.05483	29.2
93.07050	30.0
95.04972	7.1
95.05480	1.5
95.08606	20.6
97.06518	4.3
97.10157	2.3
105.07040	26.2
107.04942	3.3
107.08610	13.5
109.06516	6.1
109.10152	4.0
111.08084	40.9
113.06003	1.7
115.05418	3.5
117.07027	11.4
119.04905	1.8
119.08582	16.4
121.06504	5.8
121.10143	10.2
122.07260	2.3
123.04434	1.8
123.07198	2.1
123.08082	35.3
123.11685	2.1
125.09624	2.0
128.06223	4.8
129.07042	6.1
130.07776	2.5
131.08585	24.6
133.06528	6.1
133.10146	11.7
135.08040	6.5
135.11703	5.1
137.06000	1.5
137.09596	2.4
139.11197	2.5
143.08565	18.7
145.06387	1.4
145.10124	22.2
147.08040	5.4
147.11681	5.0
149.09639	6.6
151.07552	100.0
152.07895	2.1
157.10104	8.6
159.08063	2.5
159.11702	4.7
161.09622	6.8
163.11171	4.6
169.10086	1.9
171.11696	5.0
173.13213	1.9
175.11197	3.9
175.93713	1.4
179.10641	5.4
181.12204	1.9
189.12752	28.9
190.13522	1.4
192.11426	3.2
197.11720	16.2
197.13304	1.9
199.11162	1.9
207.13812	65.5
217.12311	4.1
227.17993	1.7
233.15349	2.3
235.13193	1.9
237.16290	1.9
255.17502	3.7
263.19800	1.7
273.18500	13.3
278.95102	1.3
291.19531	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0977
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
51.02379	1.2
55.05508	2.1
56.96559	1.8
66.29759	1.2
67.05499	2.1
69.07071	1.5
70.94784	3.2
71.38630	1.2
73.45238	1.3
79.05497	2.7
81.07040	3.4
83.08614	1.6
87.00843	2.0
88.04015	1.8
91.05464	2.3
93.07034	2.3
95.04970	1.2
95.08579	1.2
97.66402	1.1
98.97591	4.7
99.33727	1.2
107.08589	2.1
114.43697	1.2
115.05445	5.5
116.98622	1.7
117.05804	2.0
117.07023	1.4
118.06560	10.7
123.04439	2.7
129.07048	1.9
130.06534	100.0
132.08092	33.2
139.03905	3.2
142.06517	13.4
143.00105	1.7
143.07298	2.0
144.08064	5.7
146.06009	17.8
156.02922	2.5
156.08076	1.6
157.06485	1.4
157.07608	6.9
158.06049	2.1
158.08417	4.7
159.09187	81.6
160.07579	6.6
169.07555	2.3
170.06020	32.1
174.04018	1.8
181.07578	2.4
183.09186	4.8
184.07596	15.4
185.07115	41.6
187.08672	5.1
188.07080	38.6
199.08717	2.4
200.07143	7.7
201.10269	13.4
209.07251	2.8
227.08170	41.4
231.07642	2.2
245.09245	77.5
255.07655	4.6
269.64249	1.2
273.08719	6.8
286.12775	1.3
291.09268	1.4
291.13025	1.7
291.19513	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0864
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02388	0.4
55.01867	1.5
65.03926	0.8
65.95826	0.4
67.05494	1.3
68.99806	2.0
70.64598	0.5
70.64931	0.9
77.03918	0.8
83.04974	1.1
85.32008	0.4
91.05485	1.4
93.03390	1.1
95.04969	3.4
97.02878	0.8
105.03412	0.8
107.04948	0.4
107.80071	0.4
111.04450	2.4
115.05466	1.3
119.04958	5.7
121.02840	0.8
123.04434	67.0
126.74223	0.4
127.03901	1.6
133.06461	0.8
135.04393	0.8
137.02298	0.6
137.05939	0.6
139.03908	100.0
140.04224	0.6
143.04918	2.7
147.04413	22.3
149.05994	0.5
151.03874	2.4
151.07497	0.5
153.05472	0.9
161.06004	7.5
162.09671	0.5
163.03946	2.1
165.05482	12.8
165.06891	0.7
168.48149	0.4
169.04973	1.4
171.01588	0.4
177.05482	0.7
179.07005	3.2
181.04826	0.8
181.19810	0.4
183.33539	0.4
189.05426	2.1
207.06543	7.8
249.07616	1.5
273.07599	1.0
291.08621	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82661	2.7
56.96568	41.5
57.03420	4.0
69.03436	7.0
69.74745	15.6
72.08138	4.1
73.02911	3.4
84.96032	9.3
85.02903	9.1
91.46778	3.4
97.02895	7.1
98.20879	3.8
98.97592	100.0
101.00879	10.9
103.00626	3.6
110.97568	16.7
115.02390	3.4
116.67587	2.9
116.98640	25.0
119.01900	10.9
124.99142	23.4
128.98604	8.3
133.03462	8.7
134.99625	3.6
139.03848	4.6
141.02322	2.9
143.00179	21.7
143.01874	4.1
144.13850	3.1
152.15784	3.1
152.98593	7.6
153.01826	7.3
158.48424	2.7
158.99649	21.5
161.01216	6.8
161.02937	8.3
170.99637	18.1
173.02975	6.7
177.00722	10.5
177.23207	3.0
185.01250	8.9
189.00684	13.0
189.02306	3.8
191.03940	4.1
200.04346	3.3
200.54611	5.5
201.00778	3.8
201.02513	4.9
203.02277	7.2
213.00745	6.1
219.01753	11.4
219.03610	8.0
231.01727	12.0
231.03635	3.9
237.02792	7.2
244.99770	9.6
249.02852	11.2
255.99297	3.1
263.00705	9.0
267.03848	6.1
273.02811	4.0
291.03943	14.1
291.08340	18.6
309.04855	12.9
309.08545	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	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37690	2.9
56.96563	8.2
67.33074	3.2
70.15853	10.2
73.85452	3.4
85.58754	3.1
98.97576	8.8
107.57951	3.5
119.02000	4.7
121.01703	3.5
124.99105	8.7
143.00209	3.7
161.01096	3.7
170.99712	5.0
219.03517	4.7
249.02748	6.7
291.05414	5.4
291.10696	100.0
294.63358	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	291.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79309	0.2
51.02392	0.7
52.62267	0.2
55.01876	1.8
65.03933	1.0
65.13361	0.2
67.05504	1.4
68.99780	1.8
70.09301	1.2
72.27006	0.3
73.93749	0.3
77.03928	0.5
79.60071	0.2
81.03456	0.3
83.04971	1.2
85.02897	0.5
91.05502	2.1
93.03418	1.3
93.25303	0.3
95.04980	2.9
97.02874	0.5
105.03374	0.7
105.07027	0.7
107.04959	0.5
109.02885	0.4
111.04450	3.5
115.05481	1.4
119.04942	6.2
123.04436	66.7
124.04808	0.6
127.03920	1.1
128.71611	0.3
131.04939	0.8
133.06476	1.2
134.38864	0.3
135.04408	0.7
137.02368	0.8
137.05971	1.0
139.03909	100.0
140.04269	0.6
143.04932	3.2
147.04424	22.4
151.03903	2.7
151.07574	0.4
153.05441	0.6
159.04434	0.5
161.05995	8.4
163.03932	2.0
165.05482	14.6
169.04964	1.3
171.04352	0.8
175.03854	0.4
177.05450	0.8
179.03503	0.3
179.07004	2.9
181.04944	1.1
181.06386	0.3
189.05504	2.8
190.82936	0.3
199.03951	0.7
203.03419	1.6
205.08594	0.5
207.06531	6.5
217.05009	1.0
227.03424	0.6
231.02931	3.1
231.06636	0.4
245.04463	3.2
249.07690	1.3
273.04120	2.0
273.07263	1.5
284.69699	0.3
290.84433	0.3
291.05627	0.2
291.08640	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67617	0.7
53.03945	1.3
53.89965	0.7
55.01857	1.2
55.05513	6.1
56.96566	37.6
57.03434	1.4
57.07062	2.2
67.05513	5.7
69.03424	1.9
69.07063	8.1
71.04989	1.4
71.08642	1.1
71.51624	0.7
71.95273	1.2
77.37276	0.8
77.59619	0.6
79.05494	5.8
81.03413	2.5
81.07058	12.4
82.07391	0.9
83.04988	2.0
83.08628	3.5
84.04474	0.9
84.96039	11.9
85.06557	1.1
91.05487	3.4
93.07049	8.5
95.04992	2.0
95.08611	12.2
97.06518	2.5
97.10175	2.0
97.22735	0.7
98.97588	100.0
99.08120	1.1
100.99153	0.9
102.97073	1.2
105.07047	5.5
107.04976	2.6
107.08599	8.9
109.02888	1.1
109.06519	2.7
109.10161	6.8
110.97575	5.8
111.04472	0.7
111.08055	1.3
111.11714	0.7
112.99120	1.1
116.06435	0.7
116.98623	35.4
117.07040	1.9
119.04973	1.0
119.08596	6.0
121.06541	2.1
121.10159	6.3
123.04428	4.5
123.08087	2.1
123.11723	4.6
125.09634	1.4
128.06194	1.1
128.98610	5.4
129.07024	1.5
130.32202	0.6
131.00208	0.7
131.08580	2.2
133.06490	1.1
133.10165	3.6
134.99681	9.7
135.08070	1.9
135.11722	4.2
137.09633	1.8
137.13312	1.1
139.03899	5.5
140.00212	2.5
140.98601	8.9
143.00182	12.3
143.08592	1.5
145.10158	2.2
146.99695	2.2
147.04417	3.3
147.08037	1.3
147.11700	2.7
149.09631	1.6
149.13269	3.0
151.07570	1.7
151.11137	0.7
153.12735	0.7
155.00185	6.7
156.98134	2.3
157.10127	1.5
158.01256	1.1
158.98369	0.7
158.99652	19.0
159.11702	1.5
161.01231	15.7
161.09653	1.4
161.13287	2.0
163.07599	0.7
163.11145	1.4
163.14825	1.8
165.05434	1.3
165.12827	0.9
170.99663	3.8
171.11656	1.4
173.01234	8.6
173.13255	1.1
174.99173	2.8
175.11244	1.4
175.14856	0.7
177.00716	22.8
177.16367	0.7
179.02303	1.5
182.01279	0.9
182.99696	1.8
184.02827	1.0
189.00719	1.9
189.09119	0.8
189.12762	1.6
191.02263	1.9
193.00281	1.0
195.01801	3.6
195.11646	0.8
196.02858	1.3
200.02301	1.5
201.00742	12.1
207.13765	0.9
217.19456	0.9
219.01715	4.6
227.18027	0.7
231.01730	1.3
233.15466	2.9
242.03467	1.0
249.02834	7.9
255.13858	1.1
267.03784	4.0
272.04376	0.7
273.15100	1.0
273.18503	2.5
273.25775	1.4
291.08728	0.9
291.15872	1.9
291.19635	5.5
291.23529	1.5
291.26810	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	290.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
55.05512	1.0
56.04989	0.2
57.07073	0.3
59.04996	0.5
61.57244	0.2
67.05495	0.5
69.07070	3.0
70.06573	0.6
70.76338	0.5
70.83912	0.2
72.47715	0.2
73.02921	2.7
73.06550	1.9
79.05471	0.2
81.07059	1.0
82.07387	0.3
84.04489	0.3
88.07632	0.6
88.85910	0.2
91.05486	0.2
93.07039	0.5
94.06553	0.2
95.08585	0.4
96.08952	0.3
97.06504	0.3
103.01424	0.2
105.07013	0.3
106.06485	0.2
107.08582	0.4
109.10190	0.3
118.06544	11.9
119.07314	0.5
119.08591	0.3
121.10155	0.3
124.12065	0.2
132.08087	4.5
132.10185	0.4
133.08896	1.9
134.09660	0.9
135.08023	0.2
135.11751	0.2
137.13298	0.2
146.09657	4.1
147.10410	0.4
148.11171	0.3
150.11285	0.5
154.92949	0.2
160.11208	0.5
176.14351	48.8
177.14690	0.5
192.17516	0.2
202.15886	1.1
232.13374	0.7
243.60533	0.2
244.20851	0.3
246.14746	1.2
247.15669	0.3
260.16425	0.8
290.21152	100.0
291.21548	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2114
Annotation	Dyclonine
Peak:m/z	Relative Intensity
51.10297	0.2
55.05518	1.3
55.41450	0.2
59.04993	0.8
67.05498	0.8
68.05814	0.3
69.07071	5.0
70.07392	0.3
70.45309	0.4
70.45657	0.4
73.06564	2.7
79.05490	0.3
81.07067	1.6
82.07381	0.5
91.05451	0.4
93.07027	0.7
94.07370	0.4
95.08596	1.4
96.08922	0.4
97.06506	0.3
105.07012	0.3
107.08601	0.5
109.10141	0.6
110.10414	0.3
118.06550	16.8
119.07321	0.4
121.10137	0.3
122.10491	0.4
123.11697	0.5
124.12107	0.3
130.06583	0.2
131.08586	0.3
132.08095	5.6
133.08893	2.6
133.09866	0.4
134.09669	1.0
137.13260	0.3
146.09647	6.0
147.10385	0.5
160.11221	0.8
161.11937	0.2
176.14352	79.9
177.14671	0.9
186.87625	0.2
189.29857	0.2
216.14029	0.2
234.15021	0.3
246.14867	0.5
252.71268	0.2
272.24484	0.3
290.06412	0.8
290.21152	100.0
291.21671	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	11.5
56.96561	14.9
57.03431	23.5
61.02925	20.6
69.03425	29.5
70.06586	30.1
70.69569	6.0
71.04996	5.8
71.49570	8.4
73.02921	36.2
81.03429	11.7
82.06567	11.7
85.02923	62.4
85.44372	6.1
88.02768	6.6
97.02377	6.9
97.02875	37.3
98.97582	34.5
101.00878	25.7
102.00986	25.8
109.02892	12.3
110.01258	10.6
110.97532	8.8
114.05501	10.7
115.02389	10.0
116.02577	9.5
116.98626	13.0
119.01907	51.5
120.02003	54.3
121.01619	11.4
127.03997	14.3
128.02321	8.0
128.07065	17.7
128.98579	9.9
130.04001	6.5
131.01877	14.6
132.02063	15.0
133.03502	10.3
134.03558	14.6
139.03894	19.9
141.01857	13.0
141.05516	6.6
143.00154	10.2
143.01904	15.6
144.01982	15.3
145.05014	9.7
146.02338	10.2
146.03494	12.5
156.02138	12.0
157.04985	13.2
161.01260	8.4
161.02904	22.0
162.03127	31.8
170.00026	7.0
170.99550	9.5
173.02934	7.2
174.03102	8.8
183.55179	8.4
184.10913	7.8
185.02975	11.6
185.04451	56.8
186.03116	12.0
188.01125	14.7
189.00729	6.7
190.55911	13.2
191.02451	7.1
191.03920	43.3
199.56468	6.8
200.04422	65.9
201.00810	7.0
216.00536	20.1
218.02008	10.8
231.05043	33.9
237.02919	10.2
248.03238	8.7
272.11365	18.0
290.06479	43.6
290.12341	100.0
291.10522	45.7
294.44128	7.3
294.51367	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	289.2529
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03936	3.7
55.01878	1.4
55.05266	1.2
55.05513	15.2
57.03432	1.5
57.07080	6.2
59.04995	1.3
64.17336	0.7
64.31926	0.8
65.03934	1.1
67.05509	22.2
69.03419	2.0
69.07072	31.2
70.08791	3.6
71.04982	2.7
71.08619	2.3
79.05499	17.8
81.07061	95.0
83.04973	1.6
83.08620	9.7
85.06553	2.0
86.62482	0.8
91.05485	12.7
93.07050	52.0
95.04982	8.0
95.08614	43.6
97.06526	5.6
97.10158	4.1
98.38284	0.8
99.08114	1.4
100.04686	0.7
105.04488	1.3
105.07038	25.9
107.04941	1.4
107.08601	43.2
109.06521	8.9
109.10169	29.5
111.08087	4.1
111.11713	2.8
117.07004	2.1
119.08599	18.3
121.06493	1.7
121.09338	1.7
121.10156	23.7
123.04420	1.0
123.08064	2.5
123.11713	27.2
125.09644	1.6
127.11134	1.1
131.08562	3.6
133.10143	23.6
135.11688	12.8
137.13252	9.5
139.11191	3.4
144.09355	1.0
145.10101	6.8
147.11697	17.1
149.09586	1.1
149.13264	12.1
151.11206	14.7
151.14772	1.0
152.17578	0.9
153.01868	1.4
153.12746	1.7
157.10201	1.1
159.11700	7.9
161.13263	11.0
163.11159	3.9
163.14856	7.5
164.12029	1.4
165.12776	20.0
171.11723	0.9
173.13284	3.8
175.14862	7.5
177.12790	2.6
177.16429	6.0
179.14372	1.7
179.17935	0.9
187.14888	4.4
189.16389	5.4
191.18036	1.9
201.16354	2.5
203.17955	2.7
205.15825	1.3
215.07147	0.9
215.17963	5.7
217.19522	1.3
229.19586	2.1
231.21130	1.2
233.19080	1.7
244.19055	0.8
245.22639	2.9
271.24216	13.1
289.06168	6.5
289.25281	100.0
290.25574	1.4
293.18243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2528
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03954	2.3
55.01865	2.2
55.05514	27.2
57.03436	1.8
57.07079	9.0
59.05000	1.2
67.05179	2.2
67.05508	26.3
69.03428	2.3
69.07072	100.0
69.38121	7.1
71.04958	1.4
71.08624	1.8
76.94616	1.2
79.05502	20.0
81.07063	88.0
83.04974	2.9
83.08624	14.3
85.06549	6.5
91.05477	14.6
92.59641	1.4
92.63361	1.3
93.07047	44.0
95.04956	6.7
95.08611	58.6
97.06560	7.8
97.10178	6.8
98.21525	2.2
99.08107	3.0
105.07037	29.9
107.07874	2.5
107.08603	46.7
109.06517	4.5
109.10164	39.1
111.08097	11.0
111.11721	20.4
117.07016	1.8
119.08586	27.2
121.10149	39.3
123.04427	1.9
123.08003	1.9
123.11718	43.4
124.04749	1.3
125.09628	3.7
131.08566	6.9
133.10135	21.7
135.11694	25.9
137.09599	5.4
137.13239	9.2
139.11188	14.0
145.10164	8.9
147.11700	21.6
149.13264	20.5
151.11208	10.3
151.14742	2.1
153.12759	2.2
159.08104	1.5
159.11702	15.0
161.13249	15.7
163.11186	3.1
163.14835	16.0
165.12764	8.3
173.13289	11.2
175.14848	15.1
177.12758	4.3
177.16408	8.0
179.14331	4.4
187.14812	6.2
189.16418	13.2
191.14288	1.8
191.17905	3.1
193.15926	2.5
201.16423	5.4
203.17934	8.3
205.15909	1.9
207.17500	3.1
215.18010	7.5
217.19617	3.6
219.17502	3.1
229.19511	3.5
231.21231	1.4
233.19038	3.6
245.22644	19.9
255.04802	1.5
271.24231	18.7
289.06091	10.4
289.14746	1.8
289.25278	86.1
290.25500	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03937	6.2
55.05513	30.1
57.07066	5.7
59.05006	71.0
67.05495	12.8
69.07046	9.2
69.14268	26.8
73.06540	3.5
79.05479	11.2
81.07068	14.4
83.04972	2.8
83.08617	3.2
85.06548	95.3
91.05492	18.6
93.07051	28.5
95.04947	3.2
95.08617	32.1
97.06530	2.7
99.08102	20.2
105.07030	18.0
107.08601	9.3
109.06497	4.0
109.10168	4.5
111.08057	6.1
114.35931	2.3
117.07009	9.6
119.08613	22.0
121.10114	9.2
125.09631	24.5
129.06995	7.9
131.08592	23.9
133.06364	2.9
133.10130	23.3
137.09622	2.7
139.11168	4.0
142.07834	12.4
143.08585	13.0
144.09337	4.2
145.10121	17.7
147.07947	3.5
147.11699	10.3
149.09584	5.6
151.11224	3.2
155.08556	9.6
156.09311	6.0
157.10139	34.6
158.10910	10.7
159.08011	3.1
159.11732	18.6
161.09602	4.5
168.09312	4.4
169.10106	12.5
171.11687	17.2
173.09714	4.2
173.13257	41.8
175.11176	4.3
175.14848	3.8
177.12701	5.9
181.10138	3.6
183.11711	34.1
184.12451	4.1
185.13188	3.0
189.12752	8.4
191.14342	5.0
195.11736	5.7
196.12457	4.7
197.13293	16.2
198.13954	3.0
199.14810	12.7
201.12781	13.8
202.13522	2.6
205.15884	4.4
209.13336	8.5
210.14072	3.6
213.16518	4.1
215.14339	4.0
217.15849	5.7
224.15593	6.6
231.17441	4.3
233.15439	3.0
239.17928	22.2
241.15816	3.2
257.19037	14.0
257.81998	2.8
271.20572	12.0
274.19363	2.8
289.18201	10.8
289.21622	100.0
306.21497	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2164
Annotation	Pipataline
Peak:m/z	Relative Intensity
53.03956	3.5
55.01866	1.9
55.05522	20.2
57.07074	2.2
59.04988	4.1
65.03937	1.5
67.05513	20.5
69.07074	17.1
69.34735	9.9
71.04980	1.7
73.06559	2.4
79.05505	18.8
81.07069	30.2
83.08615	8.2
84.22999	1.4
85.06556	7.6
91.05492	49.7
93.07066	19.1
95.04975	3.8
95.08601	17.9
97.06532	2.1
97.10155	1.7
101.06055	1.4
103.05449	1.8
105.07039	78.0
107.04969	2.4
107.08576	14.4
109.06528	2.4
109.10162	9.3
111.08060	1.6
115.05410	1.8
117.07018	14.1
119.08596	50.8
121.06525	3.1
121.10159	9.3
123.04470	2.7
123.08083	1.5
124.03446	1.5
129.07016	3.8
131.08589	21.3
133.10147	52.1
135.08028	2.2
135.11717	5.2
138.86411	1.5
143.08575	4.9
145.10132	20.1
147.08115	2.5
147.11699	28.9
149.09563	1.9
149.13287	2.0
155.08636	3.4
157.10152	5.8
159.10635	1.9
159.11739	18.6
161.09659	2.1
161.13295	12.3
163.14949	1.9
169.10074	4.4
171.11687	5.4
173.13257	15.0
174.13278	1.3
175.11363	2.3
175.14862	3.7
183.11671	4.1
187.11217	2.9
187.14891	1.8
189.12822	2.2
193.21053	1.3
197.13312	4.2
201.12735	3.6
213.16364	2.2
215.14413	2.3
215.18013	3.9
229.19490	2.3
239.17969	6.7
247.16928	2.1
257.19092	11.0
271.16937	2.4
271.24295	1.8
289.06076	3.6
289.18130	10.7
289.21640	100.0
289.25015	5.1
290.21951	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	289.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.5
55.01866	1.9
55.05522	20.2
57.07074	2.2
59.04988	4.1
65.03937	1.5
67.05513	20.5
69.07074	17.1
69.34735	9.9
71.04980	1.7
73.06559	2.4
79.05505	18.8
81.07069	30.2
83.08615	8.2
84.22999	1.4
85.06556	7.6
91.05492	49.7
93.07066	19.1
95.04975	3.8
95.08601	17.9
97.06532	2.1
97.10155	1.7
101.06055	1.4
103.05449	1.8
105.07039	78.0
107.04969	2.4
107.08576	14.4
109.06528	2.4
109.10162	9.3
111.08060	1.6
115.05410	1.8
117.07018	14.1
119.08596	50.8
121.06525	3.1
121.10159	9.3
123.04470	2.7
123.08083	1.5
124.03446	1.5
129.07016	3.8
131.08589	21.3
133.10147	52.1
135.08028	2.2
135.11717	5.2
138.86411	1.5
143.08575	4.9
145.10132	20.1
147.08115	2.5
147.11699	28.9
149.09563	1.9
149.13287	2.0
155.08636	3.4
157.10152	5.8
159.10635	1.9
159.11739	18.6
161.09659	2.1
161.13295	12.3
163.14949	1.9
169.10074	4.4
171.11687	5.4
173.13257	15.0
174.13278	1.3
175.11363	2.3
175.14862	3.7
183.11671	4.1
187.11217	2.9
187.14891	1.8
189.12822	2.2
193.21053	1.3
197.13312	4.2
201.12735	3.6
213.16364	2.2
215.14413	2.3
215.18013	3.9
229.19490	2.3
239.17969	6.7
247.16928	2.1
257.19092	11.0
271.16937	2.4
271.24295	1.8
289.06076	3.6
289.18130	10.7
289.21640	100.0
289.25015	5.1
290.21951	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	289.0921
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03947	0.8
55.01874	0.9
56.35059	0.3
56.96562	1.4
57.03437	0.9
59.43518	0.4
61.02922	1.0
62.73231	0.3
69.03429	2.5
69.69782	2.0
70.06588	1.0
73.02893	0.4
77.20196	0.4
79.05495	0.5
81.03417	1.2
84.04488	0.4
84.08123	0.6
85.02915	5.8
86.09716	0.4
94.83928	0.3
95.04984	0.7
97.02897	2.5
98.21521	0.5
98.97585	1.5
99.04472	0.9
99.78537	0.3
109.02892	1.4
111.04405	0.5
123.04437	2.9
127.03928	100.0
128.04240	0.7
128.98627	0.7
135.04427	0.8
137.02356	2.2
139.03894	0.5
145.04968	0.9
153.01840	1.9
153.02928	0.4
155.01930	0.4
158.97519	0.5
163.03818	0.4
169.06619	0.5
170.97348	0.4
197.06027	0.6
209.12903	0.4
215.07028	1.8
219.01622	0.4
229.05016	0.6
234.99002	0.6
243.06693	1.4
271.16660	0.5
289.03888	0.6
289.06909	1.1
289.12442	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1799
Annotation	Psoracorylifol A
Peak:m/z	Relative Intensity
53.03933	4.6
55.01882	2.5
55.05512	18.1
57.03427	3.1
58.89196	1.3
59.05003	3.2
65.03918	2.5
67.05509	38.0
69.07063	7.5
71.04977	1.4
72.22328	1.2
73.06544	2.2
79.05070	2.1
79.05494	30.7
81.03410	3.7
81.07063	22.4
83.04986	29.0
83.08620	3.3
85.06533	4.1
88.09975	1.3
91.05485	24.8
93.07043	23.1
95.04973	20.7
95.08616	16.3
97.06532	23.5
97.10173	4.3
103.05450	5.3
105.07034	15.6
107.04955	11.9
107.08595	15.2
109.06528	8.8
109.10171	4.6
115.05434	2.0
117.07002	5.6
119.04962	2.3
119.08591	15.1
121.06480	1.5
121.10138	9.5
123.04432	100.0
123.08089	7.0
127.03891	1.7
129.07018	3.3
130.07837	1.5
131.04939	10.7
131.08575	4.0
133.06477	1.3
133.10143	9.0
135.04414	1.5
135.08041	2.8
135.11671	7.9
137.05992	3.7
137.09636	5.1
143.08638	1.6
145.06508	10.3
145.10167	3.1
147.08054	2.5
147.11740	2.5
149.05991	18.3
157.06499	1.4
157.10114	3.6
159.08054	2.6
159.11700	2.6
161.13258	13.4
163.07547	19.6
169.10095	2.4
171.08063	2.5
171.11560	1.4
173.13339	2.4
175.07600	4.0
177.09091	1.8
179.14326	5.0
183.11578	1.9
189.09114	5.8
201.08942	1.4
201.13042	1.5
203.10674	2.8
211.08730	1.3
211.14795	1.5
215.10693	1.2
271.17020	2.9
273.96738	1.4
289.06146	3.1
289.18027	49.0
289.21591	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	289.0708
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
62.27542	1.4
65.03940	2.2
67.01873	1.7
68.99786	6.3
70.94907	3.5
84.92826	1.4
91.05489	3.7
95.05013	1.9
97.02913	2.2
102.60596	1.5
107.04969	71.4
110.97337	1.5
111.04456	4.1
119.04953	2.7
121.02871	14.0
123.04442	2.6
127.03947	2.5
135.04428	4.8
139.03943	3.2
141.07031	5.0
147.08043	2.6
149.02357	100.0
153.01845	98.1
153.03134	1.8
157.06467	2.1
159.82640	1.9
163.03992	3.0
167.03459	8.9
169.06485	6.6
187.07623	1.8
195.02890	7.4
197.06033	10.5
201.05421	1.9
215.07051	96.1
216.71449	1.6
225.05544	2.2
242.05829	2.7
243.06558	93.3
270.46744	1.4
271.06027	29.9
279.13751	1.5
289.07101	6.4
289.15210	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	289.0707
Annotation	2',4',5,7-Tetrahydroxyisoflavanone
Peak:m/z	Relative Intensity
50.14640	0.8
65.03935	2.0
67.01865	2.6
68.99789	2.8
69.03440	1.5
69.55022	5.2
76.41816	0.9
79.05489	2.6
81.03428	1.7
83.61581	0.9
91.05481	1.6
95.04967	2.5
97.40572	0.9
98.20786	1.8
107.04960	73.6
111.04453	3.6
115.05446	1.6
119.04951	3.3
121.02868	13.2
123.04440	7.9
127.03969	1.1
133.02879	1.3
135.04436	6.2
137.02342	16.2
139.03897	4.8
141.06996	6.5
145.06471	1.0
147.04446	1.6
147.08072	1.8
149.02351	71.0
151.03900	1.4
153.01836	100.0
154.02299	0.9
159.08138	0.8
163.03943	2.3
167.03424	7.8
169.06509	9.8
172.78960	1.0
173.06029	1.0
179.03401	1.4
187.07585	2.0
195.02905	9.9
197.06006	10.0
201.05417	1.0
213.05449	0.9
215.07042	75.7
225.05484	2.0
242.05780	3.9
243.06538	62.6
244.06715	0.8
271.06003	16.5
271.14334	0.9
289.07108	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	289.0708
Annotation	Monodictyphenone
Peak:m/z	Relative Intensity
50.14126	0.6
53.03954	1.2
53.66120	0.5
65.03947	0.8
67.05502	0.7
68.99809	1.1
70.98589	1.0
70.98928	0.5
77.03945	1.0
79.05526	0.5
81.03419	8.3
91.05479	0.9
93.03408	0.9
95.04980	10.7
96.53055	0.6
105.03387	2.8
105.07022	1.5
107.04944	1.5
109.02891	1.4
111.04452	1.7
113.77132	0.5
115.05463	0.9
115.64153	0.5
121.37766	0.5
123.04430	60.8
127.03887	1.2
128.04161	0.6
131.04982	0.8
133.02834	2.0
133.10141	1.5
134.03633	2.3
135.04401	4.9
135.96870	0.5
137.02341	100.0
139.03911	2.2
141.06996	8.2
145.06485	0.6
149.02306	0.9
151.03908	7.4
152.06210	0.8
161.02335	2.8
161.06003	0.6
163.03883	1.0
168.05699	1.4
169.06490	25.1
173.06033	1.3
179.03398	12.6
181.06538	1.5
187.07434	0.9
189.06647	0.6
196.29849	0.5
197.05984	23.0
208.22124	0.7
209.07401	0.6
215.07031	84.4
216.07246	1.0
225.05450	10.0
229.04950	0.9
242.05748	1.2
243.06540	55.6
244.06871	0.6
253.05122	0.8
271.06039	14.6
289.07132	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	289.0709
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
51.18947	0.8
53.03954	1.5
53.87231	0.9
55.01877	2.6
65.03944	3.3
67.01872	6.3
67.05508	2.0
68.98557	1.0
68.99776	5.8
69.03438	4.5
69.07056	1.3
71.23624	1.1
71.23951	1.3
76.31118	1.0
79.05491	2.4
81.03417	4.0
83.01353	1.2
85.02874	1.1
85.06565	1.3
91.05487	2.4
93.03410	1.7
93.07073	1.5
95.04956	4.0
95.08597	1.4
97.02885	2.7
97.06510	2.5
98.47554	1.0
100.36950	1.0
105.03419	1.0
107.04962	58.8
107.08582	1.2
109.02874	1.6
109.10155	1.8
111.04422	4.8
119.04947	2.3
121.02876	9.7
121.47087	1.0
123.04431	11.1
125.09632	3.5
127.03941	16.2
129.79878	0.8
131.04962	2.0
131.08545	1.5
133.06555	1.2
135.04419	12.0
135.64282	0.9
137.02342	11.0
139.03879	5.5
140.01653	1.0
141.06975	3.2
144.95959	0.9
145.06468	1.4
147.04419	1.4
147.08011	1.5
149.02353	57.6
149.09554	1.2
151.03871	2.3
153.01842	100.0
159.08028	1.4
163.03922	5.9
167.03419	6.9
169.06512	6.5
171.02921	10.6
173.05975	1.5
179.03322	1.0
186.02135	1.0
187.03835	1.1
187.07512	2.2
195.02899	7.4
197.05978	9.2
205.31850	1.1
215.07042	56.5
225.05505	1.6
242.05759	1.7
243.06561	48.7
271.06033	14.4
289.03650	1.7
289.07062	11.4
289.11948	1.9
289.15170	2.5
307.93564	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0709
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
53.03956	1.2
55.01865	1.7
65.03937	3.3
67.01859	1.7
68.99791	5.4
69.03428	1.2
70.84855	1.9
70.85187	1.2
78.33149	1.1
79.05500	1.8
91.05482	3.7
95.04968	1.6
97.02905	1.3
107.04964	82.7
111.04453	4.5
117.06966	1.1
118.18830	1.0
119.04942	3.9
121.02879	13.6
123.04411	4.6
127.03908	4.3
131.04927	1.5
131.08568	1.7
135.04417	10.8
137.02335	3.6
137.43837	1.1
139.03880	4.7
141.07010	4.2
145.06561	1.7
147.04417	2.1
147.08063	1.8
149.02356	92.5
151.03920	1.6
153.01840	100.0
163.03931	3.6
167.03413	8.1
169.06451	6.0
173.06000	1.9
173.86325	1.2
178.07037	1.1
183.27917	1.0
185.06131	1.5
187.03922	1.1
187.07539	1.4
195.02875	9.4
197.05952	8.2
206.13493	1.1
215.07045	82.0
225.05534	1.9
242.05623	2.7
243.06548	81.1
253.04955	1.2
271.06036	22.6
289.07074	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	289.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.6
56.96569	28.8
57.03437	6.7
58.99860	2.7
61.02916	8.5
69.03431	23.0
69.61015	12.8
70.06586	15.0
70.98102	4.3
70.99834	4.2
71.05017	3.2
72.08160	6.9
73.02912	6.3
73.22547	2.7
81.03421	12.3
82.99842	9.3
83.05004	3.3
84.04496	6.5
84.08160	4.8
84.96013	5.0
85.01419	3.2
85.02910	39.2
86.09730	2.5
87.04487	3.8
91.03913	3.1
97.01421	6.3
97.02891	23.6
98.97029	3.3
98.97601	32.4
99.04422	3.4
101.00890	80.5
103.02438	3.5
109.02878	6.0
110.97569	9.8
112.86692	2.5
113.00860	11.6
115.02450	23.1
116.98615	9.1
117.04001	3.0
119.01930	100.0
127.02435	3.9
127.03896	18.9
127.05003	7.5
127.05882	3.1
127.08655	2.7
127.09493	3.3
128.02321	2.8
128.98616	9.3
129.00331	4.0
129.03986	6.2
129.05446	2.7
131.01900	26.6
133.03487	34.0
137.02930	10.5
139.03900	4.5
140.98590	3.7
143.00127	5.2
143.01892	29.1
144.99834	4.1
145.03508	13.1
145.04535	2.3
146.99622	4.5
147.01379	8.4
147.05049	3.8
149.02963	3.9
151.04514	5.1
153.01822	14.2
154.96523	2.7
155.01895	10.3
157.03465	8.2
158.99661	5.5
161.01457	3.5
161.02966	55.0
164.98528	2.9
168.99803	15.1
169.03619	4.7
171.01381	13.7
173.03000	22.2
174.04526	2.8
174.99147	5.3
175.00955	3.8
175.02704	4.2
175.04373	3.5
175.11891	3.1
177.00687	3.1
177.02419	6.5
179.03874	2.6
182.03427	4.3
183.05038	3.7
185.02945	9.5
187.00945	26.2
187.02641	4.5
187.04546	8.2
189.02464	15.6
191.04021	12.6
196.99255	5.6
197.02832	2.7
199.00916	16.2
200.04324	6.1
201.00676	6.8
201.02458	9.0
203.04033	6.0
204.02722	3.1
205.01953	9.4
207.03442	5.0
207.55376	6.7
211.00957	3.5
215.00410	31.8
217.01976	25.1
219.01767	6.8
219.03661	13.8
221.05125	5.7
227.03941	3.4
229.01912	10.8
229.05585	3.4
230.98174	4.8
231.03505	5.4
233.01250	3.6
237.02771	9.0
244.99586	12.0
245.05049	4.2
247.00946	3.0
247.03093	26.2
248.99268	4.2
257.05078	7.0
263.00748	10.9
265.04016	3.7
271.03110	3.3
289.03946	9.8
289.07123	12.8
289.15015	3.7
303.00912	3.3
307.02649	4.5
307.05496	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	288.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83713	1.2
61.02929	1.5
67.05500	1.7
68.99780	4.1
69.03421	4.9
70.06595	3.1
70.64201	3.9
72.08149	3.2
73.02891	1.5
74.06068	2.6
81.03439	1.6
85.02921	16.5
86.09702	3.0
91.05489	83.9
94.29974	1.4
97.02899	14.1
107.04964	12.8
109.02885	2.3
111.00832	1.6
115.03925	2.3
121.02875	6.2
122.03239	3.3
127.03918	4.7
129.10220	1.3
135.04414	2.9
137.02298	2.8
141.06998	1.6
145.04985	4.6
147.04358	1.4
149.02338	11.1
153.01834	25.8
154.02170	4.0
155.14392	1.5
169.06509	1.8
171.02840	2.0
184.40645	1.3
186.06435	2.0
195.02962	1.5
196.15979	1.3
197.05997	1.8
215.07008	8.2
243.06502	10.2
271.05838	1.7
288.05865	100.0
288.10623	4.0
288.20346	2.6
289.06937	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
53.03947	1.7
55.05509	5.8
57.03438	0.6
57.07058	1.8
65.03937	0.8
67.05508	5.9
68.99776	1.9
69.03415	2.7
69.07069	17.6
69.44230	3.8
71.04985	1.5
79.05495	7.6
81.03429	0.8
81.06592	1.1
81.07059	17.8
82.28164	0.6
83.08617	2.1
85.06538	0.9
91.05077	0.6
91.05495	6.3
93.07047	20.7
95.04964	2.7
95.08611	12.9
97.06536	1.6
97.10141	1.1
103.05416	1.3
105.03438	0.8
105.07037	12.3
107.04923	1.6
107.07872	1.2
107.08591	19.7
109.02835	0.7
109.06509	1.2
109.10149	9.2
111.00797	1.3
111.11706	2.1
115.05436	1.0
116.93431	0.7
117.07024	2.0
118.03007	0.6
119.08596	9.6
121.02876	6.8
121.06474	0.7
121.10150	18.0
123.08024	0.8
123.11711	6.0
125.09618	1.2
127.11207	0.7
128.06216	0.8
129.06964	1.4
131.08574	3.1
133.02847	1.0
133.10138	7.6
135.04343	0.9
135.08098	1.1
135.11685	13.7
136.07579	1.3
137.02341	2.6
137.09660	0.8
137.13268	0.8
139.11192	1.6
141.07062	0.6
143.08534	1.8
145.10109	4.7
147.04366	1.3
147.11664	7.1
149.13278	4.8
151.11156	0.9
153.01837	12.9
157.06499	1.4
157.10149	3.8
159.11700	5.9
161.13303	2.9
163.11192	1.9
163.14844	1.6
165.01816	3.8
171.11694	2.3
173.13281	4.5
175.11183	0.8
175.14783	2.8
175.18137	0.6
177.12793	1.6
183.02879	1.8
185.05974	1.0
185.13303	1.9
187.14792	1.6
189.16400	1.7
191.14314	1.1
193.15842	0.8
199.14825	1.5
201.16382	2.5
203.07166	0.6
203.14381	0.9
203.18007	1.5
213.05467	2.8
213.16292	2.8
215.17955	1.4
217.15991	0.7
227.17990	1.7
229.19501	1.3
231.06557	1.1
231.17592	0.7
241.04936	1.3
243.20851	0.8
258.05206	1.4
269.22647	6.8
287.05505	100.0
287.23682	25.0
288.05807	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	287.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66051	0.5
53.03950	0.9
55.01863	1.4
55.05527	0.7
56.96301	0.9
56.96568	15.6
57.03443	3.5
57.07059	1.1
61.02926	4.4
63.00036	1.1
65.03941	0.6
67.05502	1.4
69.03434	6.9
69.07038	0.7
70.06588	4.4
70.26203	0.9
70.26550	2.5
70.98102	1.2
71.04985	1.8
72.08157	0.9
73.02905	4.3
79.01872	0.8
79.05499	0.9
81.03428	3.0
81.07047	2.3
82.07408	1.2
82.99850	1.1
83.04981	1.3
83.06114	2.1
84.04504	1.9
84.06461	0.7
84.08154	1.7
84.96043	2.4
85.02908	9.7
85.06534	0.7
85.07715	0.5
86.09720	1.0
89.03902	1.0
93.03432	0.7
93.04536	0.8
94.04836	0.6
95.04975	0.7
95.06094	2.3
96.06470	0.8
97.02893	7.3
98.03223	0.6
98.97586	19.8
99.04428	1.7
101.00886	7.8
102.96848	0.9
107.04955	2.7
109.02886	1.9
110.01262	1.2
110.07171	11.9
110.97575	4.4
111.00848	0.7
111.04442	1.0
111.06850	1.2
111.07509	7.4
112.07592	3.2
112.08753	0.9
112.11221	1.5
112.99112	1.1
113.07957	0.8
115.02431	0.6
116.98627	10.3
117.03377	1.2
119.00157	1.0
119.01904	12.4
119.04968	1.1
121.02876	1.5
123.04469	0.9
123.05554	0.7
124.07609	0.8
124.99133	2.1
125.02351	1.0
125.07105	1.2
125.07939	0.9
127.02377	0.9
127.03928	2.9
128.02348	1.5
128.98624	3.5
130.04991	0.6
130.08635	3.8
130.93285	1.2
131.00183	1.0
131.01878	2.7
134.99655	2.6
135.04420	2.5
135.40187	0.6
137.02937	1.3
137.05945	0.6
140.02292	0.9
140.98610	1.5
143.00249	3.6
143.01900	28.2
145.04955	1.3
146.99657	1.7
147.17709	0.6
149.02309	0.9
149.05997	1.0
152.98579	0.9
153.01843	15.7
153.02937	0.9
153.05415	0.6
154.02072	0.7
155.01828	1.1
156.03415	1.5
156.07750	1.1
157.03500	0.9
158.99619	3.5
161.02971	32.1
162.99013	0.6
163.02759	1.0
163.03935	5.6
163.12297	2.8
164.12694	7.1
164.98636	1.0
165.54689	1.0
167.02878	0.8
167.07074	0.7
170.05150	1.7
170.99615	2.9
172.94373	1.4
173.02942	1.3
174.04381	2.0
177.00742	2.3
177.04301	0.6
179.02850	1.3
182.03302	3.3
182.99690	2.0
183.02707	0.8
183.04337	0.8
184.04851	0.8
185.01228	1.9
186.04410	4.2
186.99159	0.8
187.02792	0.9
187.04573	1.4
188.03348	4.3
189.00732	2.3
190.95424	1.6
191.03883	3.3
191.13742	1.4
194.99641	1.2
197.03960	3.1
198.04617	1.2
200.04430	2.3
201.00711	4.5
203.03960	4.6
204.05466	2.3
205.05560	1.0
206.04419	0.7
206.08070	0.9
207.01791	0.8
209.14777	1.5
211.02722	0.8
213.00714	2.1
219.01790	5.2
220.11681	0.8
221.04939	3.0
226.98677	1.4
231.01718	1.0
232.96541	1.6
237.02853	3.0
237.14311	0.9
241.17380	1.7
243.01733	1.2
244.99699	12.1
245.03362	1.1
249.02904	1.8
255.15260	4.3
258.03998	0.7
261.02875	1.7
263.00754	10.6
264.00928	0.7
267.04153	1.9
269.08691	0.7
273.02930	1.4
287.00620	1.6
287.06085	14.5
287.11029	100.0
287.17874	14.3
288.11435	1.3
291.04016	2.0
305.01843	1.5
309.05032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Fisetin
Peak:m/z	Relative Intensity
55.01875	0.4
55.75845	0.1
57.42715	0.1
65.03930	0.4
67.01854	0.3
67.66880	0.1
68.69123	0.2
68.99792	2.3
69.03424	0.5
69.07043	0.3
69.43771	1.1
79.05082	0.1
79.05489	0.9
81.03416	0.4
81.07043	0.3
84.08145	0.1
85.02898	0.2
88.53522	0.1
91.05478	0.5
91.07430	0.2
93.03461	0.1
95.01344	0.1
95.04987	0.5
97.02892	0.3
97.06487	0.2
98.98466	0.2
103.05489	0.3
105.03365	0.9
105.07040	0.3
107.04954	1.4
109.02888	0.8
111.00815	1.8
111.04467	0.3
112.18660	0.1
115.05472	0.3
117.07015	0.3
119.04971	0.2
121.02877	8.7
121.03920	0.5
121.06493	0.2
127.03917	0.9
129.06984	0.4
130.06546	0.2
131.04984	0.1
133.02847	1.1
135.04425	0.4
137.02350	2.2
141.06972	0.4
145.02911	0.2
145.06505	0.5
147.04405	1.5
149.02351	0.4
149.06017	0.3
151.03862	0.2
153.01834	10.9
155.06062	0.2
157.06477	1.7
161.05978	0.4
163.03917	0.3
165.01851	3.1
169.06526	0.3
171.03078	0.2
171.04367	0.7
173.06007	0.2
175.03902	0.2
175.07584	0.1
183.02901	1.6
185.06006	1.2
189.05421	0.3
197.05998	0.3
198.07895	0.3
203.03403	0.3
203.07045	0.3
213.05473	3.2
213.10188	0.3
216.04207	0.3
217.40834	0.1
219.06544	0.1
229.05005	0.5
231.06529	1.5
241.04950	1.8
241.09871	0.2
243.06528	0.2
245.04468	0.3
258.05246	2.1
259.06027	1.2
265.53824	0.2
269.04327	0.3
269.09238	0.3
269.12640	0.3
271.08029	0.1
287.05508	100.0
288.05801	1.6
296.22903	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03949	0.2
55.01870	0.2
56.65471	0.1
56.77503	0.2
65.03931	0.4
65.55785	0.1
67.01884	0.3
67.40691	0.2
68.20700	0.2
68.99447	0.2
68.99796	2.3
69.03400	0.2
69.07063	0.3
79.05499	0.8
81.03378	0.2
81.07050	0.5
91.05462	0.2
93.05896	0.1
93.07058	0.3
95.04989	0.2
95.08614	0.2
97.02856	0.1
98.21537	0.3
103.05493	0.2
105.03405	0.9
105.06999	0.3
107.04954	1.1
107.08598	0.2
108.03915	0.1
109.02873	0.6
109.10174	0.2
111.00807	1.2
111.04447	0.3
115.05421	0.2
119.04961	0.2
119.08556	0.2
121.02875	6.4
121.03861	0.3
127.03949	0.3
129.07016	0.4
131.04973	0.2
133.02867	0.9
135.04416	0.4
137.02348	2.0
141.06973	0.2
145.06490	0.5
145.10109	0.2
147.04393	1.0
147.11703	0.2
153.01840	10.2
155.06038	0.3
157.06502	1.2
159.11708	0.3
159.33327	0.2
161.06024	0.3
161.13237	0.2
165.01852	3.3
165.03238	0.2
171.04428	0.5
183.02928	1.6
185.05995	1.1
187.08511	0.1
189.05478	0.3
191.74886	0.2
197.06029	0.4
199.03943	0.2
203.07097	0.2
212.04587	0.2
213.05482	3.0
229.04984	0.5
231.06528	1.2
231.45012	0.1
232.55873	0.2
241.04985	1.6
243.06526	0.3
245.04442	0.3
258.05249	2.5
259.06009	0.7
269.04575	0.3
280.53528	0.1
287.05511	100.0
287.23761	0.5
288.05875	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	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
67.01865	1.7
67.05501	0.2
68.99792	1.4
69.03445	0.2
69.07068	0.2
69.32922	0.1
70.85985	0.4
79.05495	0.4
81.07069	0.4
89.03931	0.7
93.07081	0.4
95.08605	0.2
95.15450	0.2
102.57155	0.2
105.07037	0.4
107.04975	0.5
107.08607	0.4
109.02908	0.2
109.10178	0.2
111.00801	0.6
111.04455	0.2
111.98644	0.2
117.03408	0.9
119.08579	0.3
121.02857	0.7
121.10192	0.2
129.06998	0.2
133.10075	0.2
135.04430	4.3
135.11661	0.2
137.02351	1.4
145.06569	0.2
145.10161	0.2
147.04437	0.3
147.11656	0.3
153.01839	11.4
157.06497	0.2
161.02359	1.3
165.01855	0.3
171.02904	0.4
179.03419	0.5
183.02971	0.2
185.06026	0.4
203.03528	0.3
213.05489	0.7
231.06540	0.3
241.04956	1.6
245.04424	0.3
258.05441	0.2
259.06021	0.3
263.05527	0.3
269.04489	0.8
270.05389	0.2
287.05511	100.0
287.23724	0.5
288.05841	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.98062	0.1
53.03939	0.2
54.12327	0.1
62.60432	0.1
63.23892	0.1
65.03943	0.3
65.51613	0.1
67.01852	0.4
68.99450	0.2
68.99794	2.6
69.03412	0.2
70.55917	0.4
71.01354	0.2
79.05482	0.5
81.03413	0.2
91.05511	0.2
95.01321	0.1
95.04950	0.2
103.05483	0.2
105.03405	0.7
107.04966	1.0
109.02885	0.6
111.00812	1.4
111.04436	0.2
115.05449	0.2
119.04906	0.2
121.02878	6.1
121.03864	0.3
121.06448	0.2
127.03944	0.3
129.06960	0.6
133.02844	0.8
135.04401	0.4
137.02350	1.7
141.06976	0.3
143.28091	0.1
145.06493	0.5
147.04396	1.2
151.03871	0.2
153.01840	9.7
157.06499	1.3
159.09647	0.1
161.02428	0.1
161.05978	0.4
163.03900	0.2
165.01836	3.5
165.79636	0.1
171.04401	0.4
175.03870	0.1
183.02916	1.5
185.05997	1.4
189.05473	0.2
197.05905	0.2
203.03528	0.2
203.07042	0.3
212.46991	0.1
213.05487	3.0
217.05032	0.1
229.05002	0.5
231.06522	1.2
241.05002	1.5
242.05571	0.2
243.06458	0.2
258.05225	1.9
259.06119	0.6
269.04495	0.4
286.04816	0.1
287.05511	100.0
288.05838	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
65.03943	0.3
67.01853	0.4
68.99792	1.8
69.03416	0.2
70.19140	0.6
77.89677	0.2
79.05476	0.5
91.43954	0.2
98.21429	0.3
103.05494	0.3
105.03362	0.8
107.04978	1.0
109.02897	0.4
111.00793	1.2
111.04439	0.3
121.02876	5.3
121.03881	0.3
127.03963	0.3
129.07016	0.2
129.26732	0.2
132.67113	0.1
133.02840	0.7
135.04460	0.2
137.02379	1.4
141.06932	0.3
145.06438	0.5
147.04434	1.3
153.01834	7.7
157.06516	0.9
161.05920	0.2
165.01840	2.8
171.04453	0.6
183.02881	1.2
185.06021	0.7
189.05511	0.3
194.94861	0.2
197.05949	0.3
201.05554	0.2
203.07130	0.2
213.05452	2.6
213.91821	0.2
217.39529	0.2
229.04991	0.4
231.06525	1.1
241.04990	1.4
258.05273	1.6
259.06104	0.8
269.04480	0.3
276.26254	0.2
287.05505	100.0
288.05807	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
57.69761	0.2
65.03943	0.3
68.99792	2.2
70.75321	0.7
75.16824	0.2
76.34157	0.2
79.05486	0.4
82.04161	0.3
91.05510	0.3
101.54306	0.2
105.03391	0.5
107.04974	1.3
109.02902	0.3
111.00818	1.1
121.02877	6.3
121.03860	0.5
133.02866	1.0
135.04381	0.3
136.10147	0.2
137.02345	1.9
145.06483	0.8
147.04401	1.0
153.01845	10.0
157.06506	1.6
165.01855	3.5
171.04362	0.6
183.02876	1.3
185.06001	1.0
189.05519	0.3
197.06116	0.3
213.05475	3.0
229.04953	0.4
231.06500	1.3
241.04875	1.4
258.05240	1.8
259.06006	0.5
269.04330	0.2
287.05521	100.0
288.05807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03934	0.2
57.64067	0.2
65.03934	0.4
67.01836	0.3
68.99494	0.2
68.99793	2.5
69.03439	0.2
70.54935	0.5
79.05485	0.5
79.75772	0.2
88.42686	0.2
89.35756	0.2
90.84744	0.2
95.04980	0.4
95.15941	0.2
95.75873	0.2
98.21525	0.2
103.05506	0.3
105.03419	1.0
107.04937	1.1
109.02890	0.6
111.00819	1.5
111.04459	0.3
121.02872	6.6
121.03922	0.3
127.03899	0.2
129.07040	0.3
133.02832	1.1
135.04390	0.2
137.02365	2.5
141.06961	0.3
145.06511	0.7
147.04387	1.5
153.01843	11.4
157.06503	1.2
161.05949	0.4
165.01855	3.9
171.04442	0.6
183.02910	1.3
185.05949	1.1
189.05463	0.3
197.06013	0.3
203.07031	0.2
206.44991	0.2
213.05499	3.2
217.04956	0.3
229.04955	0.4
231.06580	1.4
231.08791	0.3
241.02840	0.3
241.04939	1.9
243.06462	0.3
258.05243	1.8
259.06000	0.7
287.05518	100.0
288.05829	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01849	0.2
56.01802	0.2
60.02753	0.2
62.32779	0.2
65.03935	0.3
65.52715	0.2
67.01859	0.5
68.99792	2.3
69.57260	1.4
79.05499	0.6
79.63584	0.2
81.03388	0.2
95.04948	0.3
98.20765	0.4
105.03388	0.9
107.04974	1.1
109.02870	0.7
110.23013	0.2
111.00809	1.4
121.02869	5.6
121.03812	0.2
127.03867	0.3
129.07043	0.3
133.02852	0.9
135.04411	0.5
135.39186	0.2
137.02342	1.9
141.07014	0.3
145.06493	0.5
147.04451	1.3
153.01840	10.4
157.06491	1.0
161.05948	0.3
165.01830	3.5
171.04433	0.7
183.02942	1.3
185.05997	1.0
189.05420	0.2
197.05896	0.3
203.07117	0.3
213.05460	3.1
216.04453	0.3
226.65707	0.2
231.06538	1.3
241.04968	1.3
255.72879	0.2
258.05243	2.4
259.06006	0.6
269.04565	0.3
287.05505	100.0
288.05844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89419	0.7
53.03941	0.9
55.05513	2.0
56.05037	1.4
56.96581	3.7
57.03440	1.2
57.07076	1.0
59.04995	2.8
61.02937	6.5
65.03939	0.6
67.05511	1.4
68.05039	1.0
69.03413	1.9
69.46157	1.6
69.46582	2.1
70.06602	6.0
70.98093	0.6
71.04999	4.9
72.08167	0.6
73.02918	0.9
79.05497	2.6
81.03397	0.9
81.04527	0.7
81.07059	11.6
81.07529	0.7
82.05329	1.7
83.05026	0.8
83.06104	10.5
84.04510	14.9
84.08144	0.9
85.02892	3.3
86.10226	0.6
87.08112	0.9
93.04524	7.7
95.05038	0.8
95.06103	14.1
97.02902	2.0
98.20714	0.9
98.97602	5.5
101.00882	1.3
102.96877	1.1
106.06581	0.7
107.06062	2.6
109.02879	0.6
110.07171	100.0
110.97591	0.8
111.04479	0.9
111.05582	1.7
112.07610	5.6
112.08735	2.4
114.11893	0.5
116.07165	0.6
116.98640	1.3
119.01860	1.4
119.06076	1.0
120.06828	0.8
121.07619	1.9
124.03967	2.4
124.07601	4.5
124.08453	0.8
127.03960	0.8
130.05006	3.3
139.03938	1.8
140.07101	2.6
143.01929	2.9
153.01849	0.7
156.03328	1.2
156.07710	11.1
158.06602	0.8
158.99646	1.3
161.02924	2.5
163.04294	0.6
163.12311	53.2
166.06166	1.8
168.03358	0.8
177.00766	1.0
183.34619	0.6
185.09227	1.2
186.04370	1.2
188.07654	1.0
190.13390	7.4
193.13406	1.2
201.00693	0.7
204.05501	0.9
208.14453	11.3
209.12848	0.9
210.16046	1.4
219.01770	0.7
219.11288	2.1
236.13972	8.0
240.17116	9.4
242.18581	0.6
244.99562	1.0
254.15016	23.2
263.00754	0.7
268.14056	0.6
268.16595	0.9
270.17755	0.5
286.09338	1.4
286.17624	67.9
287.11008	6.2
287.18027	0.9
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
53.03946	3.9
53.15256	1.7
55.01888	5.5
55.05512	13.5
57.03445	13.4
67.05505	23.5
69.03427	7.7
69.07065	6.7
70.63686	3.3
70.64014	2.2
71.04984	4.1
79.05494	17.4
81.03423	100.0
81.07063	29.2
83.04969	8.8
83.08622	24.3
85.02911	21.1
85.06573	2.0
90.07307	1.5
91.05490	29.3
93.06567	1.7
93.07050	11.6
95.04971	28.1
95.08609	11.2
97.02896	6.2
97.06520	3.6
97.10194	4.0
99.04420	1.7
99.08119	1.9
105.07042	19.1
107.04953	6.6
107.08573	8.7
109.06534	5.1
109.10143	6.2
111.08095	12.5
119.08582	18.9
121.10165	9.0
123.08086	1.9
123.11697	1.8
129.06995	10.7
131.08603	8.5
133.06520	3.8
133.10146	7.3
142.07788	2.6
143.03362	2.1
145.10112	3.2
147.08058	2.4
147.11710	16.0
149.09659	4.0
153.01831	41.3
153.03014	3.1
157.10147	12.7
159.11676	2.6
165.12778	2.5
175.03854	1.9
175.11180	16.8
185.13164	2.1
193.10478	3.5
193.12248	55.0
211.13269	17.1
225.09087	2.2
229.14362	2.8
253.08632	3.7
267.15897	9.3
285.11429	6.3
285.16998	16.4
285.22156	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
55.01866	5.7
55.05273	2.4
55.05512	33.4
57.03442	54.3
57.07085	2.5
59.05007	2.7
65.03938	3.3
67.05502	52.8
67.25565	2.0
69.03419	10.7
69.07076	15.2
69.07397	3.2
69.90450	4.2
69.90862	9.3
71.04990	11.1
71.66497	2.3
79.05074	3.9
79.05500	50.7
81.03422	100.0
81.07057	62.4
81.07784	2.8
83.04990	19.0
83.08154	2.8
83.08623	34.6
85.02911	89.0
85.03436	4.3
85.06561	2.9
91.05489	63.2
93.06478	3.2
93.07046	39.7
95.04974	45.8
95.08614	26.9
95.78580	2.2
97.02869	5.2
97.06518	7.0
97.10170	6.7
98.21407	3.6
99.08092	4.3
100.11289	3.3
103.05460	2.3
105.07036	51.1
107.05006	10.2
107.08600	16.3
109.06544	11.6
109.10160	7.3
111.04414	4.8
111.07388	2.5
111.08096	23.6
113.06010	8.7
115.05402	2.9
117.06995	3.7
119.04992	2.6
119.08586	38.8
121.09385	3.2
121.10133	19.6
123.08075	6.1
123.11728	5.9
125.09553	2.1
129.07033	14.3
131.08566	24.0
133.06458	5.4
133.10159	26.8
137.09596	4.3
142.07727	4.8
145.10130	7.2
147.08089	2.8
147.11693	32.4
149.09593	12.8
153.01842	19.3
157.10121	28.5
159.11703	2.5
165.12746	6.2
175.11182	33.1
193.12250	82.7
199.14894	2.7
211.11375	3.0
211.13315	52.2
211.15274	4.5
214.19141	2.1
267.15997	5.2
270.05206	5.4
285.03983	5.3
285.07690	4.2
285.12219	3.5
285.17010	63.5
285.22092	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	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01863	5.3
55.05517	10.0
57.03437	9.6
57.07055	1.4
58.01222	1.1
62.32503	1.1
63.00065	1.6
63.76635	1.0
67.05173	1.7
67.05504	18.2
69.03434	5.7
69.07085	6.3
70.06593	4.2
70.09955	3.9
71.04988	5.0
72.89082	1.1
73.02930	1.2
75.04453	1.0
79.01848	3.0
79.05493	17.1
81.03420	100.0
81.07059	21.0
83.04980	5.9
83.08620	18.9
85.02916	9.5
85.06525	1.4
91.05479	18.1
93.07056	10.5
93.07587	1.7
95.04977	26.8
95.08612	8.5
97.02901	4.8
97.06516	1.7
97.10204	2.1
98.09711	1.3
98.20743	1.1
105.07034	15.8
107.04948	5.8
107.08585	6.9
109.06532	3.5
109.10161	2.5
111.04425	2.4
111.08090	10.4
112.07601	1.1
113.06039	1.2
117.07029	2.4
119.08603	14.1
121.06516	2.0
121.10146	6.9
123.08055	2.6
123.11739	2.8
125.02297	1.3
125.09695	1.2
126.35725	0.9
129.07033	11.0
131.08545	8.5
133.06511	3.2
133.10112	7.7
135.11736	1.9
137.09688	1.8
141.07068	1.0
142.07765	1.4
143.03398	4.9
143.08487	1.7
145.10095	2.9
145.43700	1.2
147.08022	2.8
147.11708	11.8
149.09639	4.4
153.01833	90.6
153.02818	4.2
154.02245	1.5
157.10129	11.9
159.11710	2.7
165.12750	3.4
169.10132	1.3
175.11211	13.1
180.48079	1.1
183.11725	1.3
185.13353	1.4
193.12259	43.2
199.14816	2.4
211.13225	8.7
212.61528	1.2
221.06082	1.5
225.09081	1.3
243.06638	1.4
253.08464	2.7
257.04483	1.9
267.15942	8.2
285.08237	1.5
285.11365	4.1
285.16840	7.3
285.21954	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01865	6.1
55.05516	26.7
57.03441	64.9
65.03936	3.2
67.05506	48.2
69.03419	7.5
69.07073	13.1
69.57372	8.9
69.57777	4.2
71.05006	12.5
71.05318	1.9
79.05070	3.0
79.05502	40.8
81.03422	100.0
81.07058	59.8
83.04993	19.5
83.08623	37.6
84.89365	2.0
85.02908	88.6
85.06549	3.2
87.04455	2.7
91.05486	55.4
93.07051	28.5
95.04976	42.5
95.08614	22.7
97.02897	8.0
97.06514	7.0
97.10169	5.0
98.20766	2.4
105.07037	43.8
107.04970	10.3
107.08602	12.6
109.06528	6.2
109.10172	6.1
111.04438	5.3
111.08087	19.6
113.06015	7.2
115.84188	1.9
119.08591	34.5
121.06527	3.1
121.10132	17.8
123.08064	7.2
123.11694	6.2
125.09599	2.8
129.07002	15.5
131.08577	18.6
133.06491	3.7
133.10129	17.1
138.96878	1.9
142.07797	5.9
145.10153	3.4
147.08080	4.4
147.11694	30.1
149.09613	11.5
153.01823	38.0
153.02972	3.9
157.10139	24.4
165.12776	9.8
174.51622	2.2
175.11200	29.2
193.12257	95.1
211.13298	63.0
267.15921	5.3
285.14050	4.3
285.16992	64.1
285.21906	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	Hysterone D
Peak:m/z	Relative Intensity
52.87949	1.7
53.03955	4.9
55.01860	5.6
55.05515	25.0
57.03162	2.5
57.03442	45.1
59.05021	2.4
62.81960	2.1
65.03938	2.2
65.83698	1.8
67.05506	41.6
67.06060	2.0
69.03049	2.1
69.03435	6.4
69.07097	10.6
70.06601	3.5
70.89897	4.5
71.04987	10.5
79.05497	34.3
81.03420	100.0
81.07064	43.6
83.04990	19.7
83.08623	37.4
85.02911	71.4
85.06542	3.2
91.05485	44.5
93.07052	24.5
95.04970	36.6
95.08611	17.1
97.02891	6.3
97.06534	7.7
97.10176	4.1
99.08105	2.6
105.07034	36.9
107.04929	10.8
107.08590	13.8
109.06512	8.6
109.10150	6.3
111.04444	4.7
111.08086	20.8
113.06010	7.1
117.06995	3.8
119.08591	26.7
121.06484	2.3
121.10139	16.4
123.08108	5.6
123.11682	4.8
127.07577	2.0
129.07045	10.4
131.08574	16.4
133.06476	4.0
133.10115	15.8
135.52710	2.0
137.09641	3.7
145.10149	5.5
147.08110	4.7
147.11694	31.6
149.09613	10.9
153.01849	29.6
153.03020	3.4
157.10123	24.9
159.11787	2.8
165.01805	2.3
165.12781	6.8
169.10236	2.0
175.11215	24.8
181.06583	2.2
189.38895	1.9
193.12259	87.3
199.14717	2.9
211.13309	53.1
225.09065	2.9
229.05119	2.2
253.08623	8.0
267.15860	7.9
285.03900	4.2
285.07703	2.8
285.11768	2.2
285.16962	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
53.93732	1.5
55.01871	5.2
55.05516	25.9
57.03440	53.7
63.00875	1.4
65.03956	2.2
67.05510	39.3
69.03421	6.8
69.07074	11.3
71.05009	12.3
79.05496	41.9
81.03423	88.3
81.07059	57.6
83.04985	20.2
83.08626	39.0
85.02910	100.0
85.06547	5.2
91.05488	52.0
93.07043	26.8
95.04971	42.9
95.08604	20.2
97.02892	5.1
97.06545	8.1
97.10172	3.3
99.08080	3.9
105.07038	39.0
107.04953	6.2
107.08603	10.4
109.06521	8.0
109.10140	6.6
111.04435	4.1
111.08098	19.9
113.05999	6.0
115.05460	2.2
117.07037	3.5
119.08592	30.1
120.99090	1.5
121.06457	3.2
121.10143	16.9
123.08095	4.9
123.11687	5.1
125.09672	1.7
127.07492	1.8
128.06329	1.5
129.07011	14.7
131.08578	15.5
133.06496	4.2
133.10165	15.7
137.05930	1.5
137.09619	3.1
142.07793	4.8
143.03394	2.2
145.10162	2.7
147.08080	5.2
147.11702	27.0
149.09645	10.0
151.11208	2.4
153.01833	24.6
153.02998	2.5
157.10147	23.4
165.12776	6.8
175.11212	25.8
175.12715	1.7
192.88004	1.5
193.12257	92.3
211.13292	71.6
225.09105	2.2
229.01003	1.9
253.08560	2.6
262.14404	1.6
267.16159	1.5
267.21228	1.9
285.12024	3.3
285.16983	53.8
285.21765	2.6
296.41068	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
55.01862	5.1
55.05518	24.8
57.03440	51.8
67.05183	2.6
67.05510	41.7
69.03436	9.2
69.07071	13.8
71.01357	1.9
71.04990	12.1
76.49990	1.9
79.05075	3.0
79.05502	39.6
81.03423	87.2
81.06599	2.8
81.07062	54.3
83.04992	19.5
83.08158	2.7
83.08623	31.7
85.02912	77.2
85.06547	4.2
87.04440	1.9
91.05489	46.8
93.07047	28.6
95.04977	41.2
95.08607	20.2
97.02885	7.5
97.06510	7.8
97.10185	4.8
99.08097	3.7
105.06398	3.1
105.07039	35.7
107.04999	9.0
107.08598	12.7
109.06516	8.5
109.10146	5.6
111.04444	5.1
111.08075	24.6
113.06007	6.5
115.05487	2.1
117.07005	4.2
119.08600	31.4
121.06501	3.2
121.10155	18.6
123.08036	5.6
123.11678	6.6
125.09595	2.2
127.07556	1.8
129.07022	16.2
131.08575	16.3
133.06522	2.9
133.10112	13.9
137.09633	2.2
137.13165	2.3
142.07797	2.8
145.10147	5.6
147.08032	4.2
147.11705	33.5
149.09604	7.3
153.01836	15.1
157.10141	22.6
159.11601	1.8
165.12756	8.0
175.11205	24.5
192.83241	1.7
193.12254	100.0
211.13295	69.9
211.15286	3.8
218.25540	1.6
221.75111	1.8
253.08670	3.4
267.21246	1.9
285.16953	59.4
285.22144	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
53.32980	1.7
55.01864	7.5
55.05518	34.7
56.73962	1.9
57.03444	59.4
57.07066	2.7
67.05180	3.3
67.05511	50.1
67.05873	2.7
69.03419	8.2
69.07075	14.4
70.15704	8.2
71.05006	20.2
79.05499	48.1
81.02934	4.5
81.03421	99.8
81.07061	59.5
83.04991	25.3
83.08626	42.6
85.02911	100.0
85.06550	3.3
91.04916	3.2
91.05483	62.0
93.07048	36.9
95.04967	50.4
95.08618	25.8
97.02892	5.3
97.06529	9.2
97.10170	6.7
99.08083	3.3
105.07029	40.5
107.04971	9.8
107.08619	16.2
109.06528	9.8
109.10159	8.0
111.04482	5.4
111.08072	22.9
113.05999	10.9
117.07082	3.9
119.08598	37.1
121.06539	2.9
121.10153	17.9
123.08052	5.5
123.11707	6.6
125.06048	2.3
128.06235	2.2
129.07037	17.7
131.08572	15.8
133.06541	5.8
133.10150	24.5
135.11720	3.1
142.07776	4.7
145.10120	4.6
147.08047	7.6
147.11694	29.4
149.08591	2.2
149.09622	11.2
151.11217	2.9
157.10130	25.7
165.12805	9.1
171.01460	4.6
175.11223	33.2
193.12254	89.4
211.13297	76.2
245.46280	2.2
267.15851	2.5
285.16977	62.9
285.21878	3.6
285.29846	5.5
287.87357	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
54.22391	2.1
55.01873	5.1
55.05513	28.7
57.03159	3.0
57.03440	60.6
57.07067	3.2
57.98255	2.6
59.05006	2.7
67.05512	46.3
68.13444	2.0
69.03429	7.1
69.07070	11.2
70.63596	4.9
71.04990	13.6
79.05493	43.7
81.02928	4.5
81.03419	95.5
81.07062	55.4
81.93150	2.0
83.04992	20.4
83.08618	38.5
85.02907	96.0
85.06551	3.0
86.91208	2.2
91.05490	56.0
93.07046	31.4
95.04967	47.6
95.08601	25.9
97.02880	4.0
97.06519	7.4
97.10181	6.0
99.04464	2.6
100.47521	2.1
105.07032	39.3
107.04958	5.8
107.08636	12.6
108.14124	2.0
109.06519	9.1
109.10174	5.6
111.04449	6.0
111.08080	22.5
113.06002	7.6
115.05444	2.8
117.07023	3.6
119.08583	34.5
121.06470	2.8
121.10142	19.0
122.42034	2.3
123.08054	5.0
123.11700	5.0
125.05987	2.5
127.07538	2.7
129.07021	14.9
131.08595	15.4
133.06490	3.5
133.10164	18.0
137.09567	3.3
142.07787	3.9
147.08064	6.2
147.11694	29.3
149.09641	10.9
157.10139	25.0
164.11659	2.0
165.12823	5.7
172.50481	2.0
175.11195	29.4
193.12245	100.0
201.69334	2.4
209.04834	2.2
210.33037	1.9
211.13300	71.1
285.16983	55.3
285.24313	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.01868	2.5
55.05517	25.7
57.03442	49.5
65.03947	3.2
67.05502	37.6
69.03418	5.9
69.07073	10.3
69.22143	15.7
71.04990	15.1
79.05498	41.8
81.03424	94.2
81.07062	51.1
83.04980	19.2
83.08623	33.3
85.02911	88.4
85.06549	4.0
90.77485	1.8
91.05484	44.5
93.07048	29.9
95.04375	3.1
95.04972	40.0
95.08614	19.9
97.02886	2.3
97.06523	5.9
97.10183	4.4
105.07042	32.8
107.04968	7.6
107.08613	12.8
109.06510	7.0
109.10154	5.1
111.04415	5.1
111.08093	19.1
113.05996	4.4
115.05450	2.9
118.17529	2.0
119.04913	2.2
119.08596	31.8
121.10143	13.1
123.08054	6.1
123.11697	5.5
125.06081	1.8
129.07037	16.4
131.08577	16.9
133.06491	3.1
133.10123	12.7
137.09598	3.0
142.07744	3.1
145.10115	2.9
147.08083	5.2
147.11708	26.5
149.09659	9.9
156.09637	2.2
157.10143	23.6
165.12737	5.9
175.11177	31.3
193.12250	100.0
211.13295	65.2
285.16980	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.7
55.01867	6.9
55.05519	26.7
57.03442	68.5
59.04998	2.1
60.74970	1.9
65.03951	2.0
67.05509	47.6
69.03436	6.1
69.07075	11.3
71.05005	13.6
77.03909	1.8
77.79154	1.7
79.05067	3.2
79.05498	43.2
81.03424	100.0
81.07066	57.8
83.04982	18.8
83.08623	36.3
85.02910	95.9
85.06564	4.3
91.05489	46.0
93.07045	32.6
95.04977	44.5
95.08617	21.2
97.02909	4.3
97.06528	8.6
97.10175	5.6
100.42763	1.8
105.07045	39.8
107.04990	9.1
107.08596	9.4
107.09231	1.6
109.06519	7.7
109.10140	7.0
111.04489	5.0
111.08085	19.1
113.05998	5.5
115.05465	2.3
117.06999	3.4
117.24196	2.0
119.08588	33.7
121.10145	16.3
123.08096	5.1
123.11708	4.0
129.07010	20.4
131.08588	18.9
133.06451	5.7
133.10146	16.7
137.09624	3.6
142.07722	4.6
147.08116	4.7
147.11696	31.6
149.09615	10.3
157.10123	26.8
163.11188	2.5
165.12831	5.6
175.11189	32.2
193.12270	90.1
211.13310	74.3
285.16974	60.4
285.21832	3.5
301.28769	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01874	4.9
55.05517	27.3
57.03444	52.8
57.07061	2.0
64.73869	1.5
65.03959	2.4
67.05180	2.6
67.05513	38.2
69.03432	9.2
69.07066	13.6
69.21010	6.4
69.21436	8.4
71.04996	8.7
79.05499	37.4
81.03425	100.0
81.07066	52.1
83.04986	17.4
83.08628	42.7
85.02914	88.6
85.06564	4.7
91.05490	51.6
93.07053	29.6
95.04977	42.6
95.08620	15.2
97.02908	3.4
97.06528	7.7
97.10196	4.1
99.08096	2.1
103.84468	1.9
105.07043	37.0
107.04940	6.9
107.08601	13.4
109.06533	8.0
109.10163	5.3
111.04461	5.4
111.08092	23.3
113.06005	6.1
117.07027	3.2
117.34653	1.9
119.08591	32.3
121.06484	1.8
121.10159	18.0
123.08121	3.3
123.11734	4.4
129.07001	15.2
131.08591	18.2
133.06494	4.4
133.10141	15.3
135.04410	3.7
135.08118	1.8
137.09618	2.6
142.07773	3.9
145.10153	2.9
147.08058	4.2
147.11697	32.5
149.09602	8.7
157.10132	20.8
165.12801	7.4
173.03752	1.6
175.11206	27.4
193.12262	98.4
209.29108	1.7
211.13319	76.6
222.73897	1.5
229.09680	1.6
229.14444	1.8
256.96133	2.0
267.15820	1.8
285.11002	1.9
285.16931	51.7
285.21921	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	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06269	1.3
53.03951	4.0
55.01875	6.7
55.05271	1.8
55.05513	23.4
57.03155	2.5
57.03441	48.5
57.40156	1.4
58.51575	1.4
65.03938	3.5
66.21133	1.3
67.05508	45.1
69.03433	10.3
69.07069	10.5
70.96411	1.7
71.05003	11.9
79.01880	1.6
79.05497	40.1
81.03424	100.0
81.06591	2.5
81.07060	46.8
83.04989	17.4
83.08160	2.1
83.08626	33.1
83.86367	1.4
85.02911	74.6
85.06546	3.5
87.04462	1.9
91.04907	2.7
91.05485	54.0
93.07044	28.9
93.07623	1.7
95.04977	43.9
95.08613	20.8
97.02921	7.5
97.06512	6.0
97.10153	3.6
99.08097	1.8
105.07039	34.5
107.04971	8.4
107.08596	12.7
109.06526	7.4
109.10162	5.8
111.04432	4.6
111.08084	20.8
113.05998	7.0
115.05478	2.5
117.07024	4.2
119.08589	33.6
121.02811	1.7
121.06474	3.3
121.10149	16.2
123.08060	6.1
123.11702	6.5
125.09574	2.2
129.07018	18.0
131.08577	15.5
133.06454	4.5
133.10132	17.1
135.08057	1.6
137.09590	1.4
142.07785	4.9
143.03409	1.8
145.10114	3.2
147.08041	6.0
147.11707	24.0
149.09657	10.6
153.01840	37.1
153.02899	1.9
157.10133	22.0
165.07045	2.2
165.12743	7.4
173.13318	1.6
175.11208	28.2
175.12645	1.2
183.13808	1.5
193.12256	93.2
211.13298	49.0
213.60390	1.3
246.49863	1.5
249.18356	1.5
253.08604	2.9
267.15762	7.5
285.11945	2.6
285.16974	59.9
285.22110	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
53.03934	6.1
55.01867	4.9
55.05511	27.8
57.03191	4.0
57.03442	53.4
57.07061	8.8
57.48041	3.6
59.04997	5.7
66.31026	2.9
67.05187	3.8
67.05509	44.1
69.03417	7.0
69.07079	22.0
71.04985	14.3
71.51823	5.9
77.30964	2.8
79.05500	43.7
81.03421	85.4
81.06608	3.2
81.07060	54.2
83.04986	20.7
83.08208	3.9
83.08624	40.2
85.02911	100.0
91.05482	51.6
93.07060	33.5
95.04977	41.4
95.08614	25.1
97.02885	4.9
97.06522	9.8
97.10159	5.6
103.05466	3.1
105.07046	42.5
107.04945	9.0
107.08586	18.3
109.06522	12.2
109.10144	7.8
111.04431	4.4
111.08071	19.8
113.06015	7.4
119.08605	34.3
121.10149	22.3
123.08079	5.2
123.11717	4.5
125.80829	2.9
127.77979	3.1
129.07004	17.4
131.08569	16.0
133.06532	4.9
133.10112	17.9
135.11658	5.3
142.07806	6.0
145.10115	8.0
147.08099	7.8
147.11702	34.1
149.09624	12.3
151.11168	3.1
155.35272	3.2
157.10141	23.7
165.12730	9.4
175.11185	32.9
193.12268	99.6
198.74106	3.4
211.13300	74.7
212.58347	2.8
231.16087	3.3
285.16968	64.4
285.29819	88.5
285.32965	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40973	1.6
53.03937	5.1
55.01871	4.4
55.05513	27.7
57.03440	58.7
58.44372	1.6
58.94541	1.8
59.05011	1.7
63.85763	1.7
67.05179	3.2
67.05505	41.6
69.03422	6.1
69.07072	12.3
71.04993	11.9
79.05495	42.0
81.03420	95.4
81.07056	53.0
82.91885	1.8
83.04984	20.3
83.08620	34.1
85.02907	97.1
85.06572	3.9
91.05481	54.2
93.07047	32.9
95.04971	46.5
95.08602	20.6
97.02892	6.4
97.06536	6.6
97.10178	5.8
98.21523	5.1
99.08080	2.3
105.07035	34.3
107.04945	7.6
107.08595	13.3
109.06514	6.6
109.10153	5.1
111.04443	5.4
111.08086	22.6
113.06031	8.2
117.06979	1.9
119.08595	33.0
121.06528	2.9
121.10148	16.1
123.08086	4.3
123.11706	6.5
125.05952	1.7
125.09692	2.0
127.07582	2.2
129.07007	18.4
131.08566	13.5
133.06519	5.1
133.10147	17.9
137.09642	2.7
142.07785	4.0
145.10152	2.7
147.08011	6.0
147.11691	30.8
149.09578	9.8
157.10132	22.3
165.12733	7.0
175.11203	30.1
177.54356	1.7
193.12251	100.0
196.36378	1.8
210.97337	1.6
211.13300	76.8
285.16949	56.3
285.21851	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
54.72630	0.2
55.01632	0.3
55.01878	5.5
55.05502	1.0
55.44006	0.2
56.22564	0.2
57.03438	2.5
63.00057	0.3
67.05501	2.0
68.42732	0.2
69.03434	8.0
69.07062	1.0
71.01360	2.5
71.05000	0.7
71.18200	0.6
75.54845	0.2
79.01853	3.9
79.05499	1.7
81.03422	3.1
81.07057	2.6
83.04971	1.0
83.08614	0.9
85.02914	3.5
87.04470	0.7
91.05482	2.0
93.07051	1.8
95.04971	1.7
95.08605	1.1
97.02898	8.2
97.03525	0.5
97.06510	0.6
98.98463	0.3
105.07040	1.9
107.01326	1.9
107.04932	0.4
107.08597	1.1
109.02898	2.0
109.06525	0.5
109.10141	0.6
111.08089	0.5
115.03943	4.1
115.05396	0.3
115.13828	0.3
117.07005	0.3
119.08588	2.1
121.10150	1.2
123.11687	0.3
125.02348	3.7
127.03916	2.9
129.07021	0.6
131.08545	0.9
133.10143	0.9
134.03633	0.9
135.11775	0.3
137.02373	1.8
141.07018	0.3
143.03401	4.6
145.10136	0.7
147.07950	0.3
147.11713	1.6
149.09724	0.4
153.01837	100.0
153.02895	5.8
154.02203	0.8
157.10152	0.8
161.06070	0.3
165.06969	0.4
165.12704	0.3
169.10086	0.3
171.02890	2.9
175.11214	0.8
183.11649	0.3
193.12251	2.4
197.05992	0.6
197.13252	0.3
199.14841	0.6
211.13286	1.6
213.05606	0.4
213.12465	0.3
221.06013	0.3
225.05545	1.4
225.09041	0.4
237.41978	0.3
242.05843	0.4
243.11147	0.4
253.04980	1.4
253.08540	0.6
257.04550	0.3
259.04120	0.2
267.21100	0.3
269.04410	1.6
270.05200	2.0
285.07880	7.5
285.11197	0.6
285.11990	0.5
285.16797	1.4
285.22180	1.1
291.03659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
54.72630	0.2
55.01632	0.3
55.01878	5.5
55.05502	1.0
55.44006	0.2
56.22564	0.2
57.03438	2.5
63.00057	0.3
67.05501	2.0
68.42732	0.2
69.03434	8.0
69.07062	1.0
71.01360	2.5
71.05000	0.7
71.18200	0.6
75.54845	0.2
79.01853	3.9
79.05499	1.7
81.03422	3.1
81.07057	2.6
83.04971	1.0
83.08614	0.9
85.02914	3.5
87.04470	0.7
91.05482	2.0
93.07051	1.8
95.04971	1.7
95.08605	1.1
97.02898	8.2
97.03525	0.5
97.06510	0.6
98.98463	0.3
105.07040	1.9
107.01326	1.9
107.04932	0.4
107.08597	1.1
109.02898	2.0
109.06525	0.5
109.10141	0.6
111.08089	0.5
115.03943	4.1
115.05396	0.3
115.13828	0.3
117.07005	0.3
119.08588	2.1
121.10150	1.2
123.11687	0.3
125.02348	3.7
127.03916	2.9
129.07021	0.6
131.08545	0.9
133.10143	0.9
134.03633	0.9
135.11775	0.3
137.02373	1.8
141.07018	0.3
143.03401	4.6
145.10136	0.7
147.07950	0.3
147.11713	1.6
149.09724	0.4
153.01837	100.0
153.02895	5.8
154.02203	0.8
157.10152	0.8
161.06070	0.3
165.06969	0.4
165.12704	0.3
169.10086	0.3
171.02890	2.9
175.11214	0.8
183.11649	0.3
193.12251	2.4
197.05992	0.6
197.13252	0.3
199.14841	0.6
211.13286	1.6
213.05606	0.4
213.12465	0.3
221.06013	0.3
225.05545	1.4
225.09041	0.4
237.41978	0.3
242.05843	0.4
243.11147	0.4
253.04980	1.4
253.08540	0.6
257.04550	0.3
259.04120	0.2
267.21100	0.3
269.04410	1.6
270.05200	2.0
285.07880	7.5
285.11197	0.6
285.11990	0.5
285.16797	1.4
285.22180	1.1
291.03659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.4
53.03946	0.5
55.01875	3.1
55.05512	1.8
57.03440	3.5
57.07067	0.3
59.04993	0.3
63.00044	0.3
63.06175	0.3
67.05505	3.5
69.03434	10.2
69.07072	1.6
71.01353	1.8
71.04990	1.2
71.05331	0.2
79.01862	3.6
79.05489	3.7
81.03425	5.4
81.07056	5.1
83.04996	1.3
83.05403	0.3
83.08616	1.9
85.02913	7.8
85.06570	0.5
87.00864	0.3
87.04469	0.7
91.05486	4.0
93.07055	3.0
95.04974	3.0
95.08604	3.0
97.02896	8.7
97.06513	0.6
97.10189	0.4
98.20781	0.5
98.97597	0.6
105.07028	4.0
107.01321	1.7
107.04942	0.6
107.08604	2.1
109.02888	1.5
109.06529	0.8
109.10172	1.7
111.04439	0.3
111.08082	1.3
113.06007	0.4
115.03934	3.5
117.07017	0.5
117.39448	0.2
119.04961	0.2
119.08590	3.4
121.06546	0.3
121.10136	1.7
123.00832	0.2
123.11721	0.6
125.02369	2.8
125.09654	0.3
126.80741	0.3
127.03941	1.9
129.07008	1.3
131.08591	2.3
133.06493	0.3
133.10143	2.0
135.11699	0.4
137.09659	0.3
141.06990	0.3
142.07782	0.7
143.03404	4.9
143.08572	1.2
145.10121	1.7
147.08051	0.5
147.11703	2.4
149.09607	0.7
153.01839	100.0
153.02885	5.1
154.02182	0.9
155.08592	0.3
157.10138	2.9
158.99693	0.3
159.08084	0.5
159.11714	1.7
161.09657	0.3
161.13228	0.4
165.07004	0.7
165.12782	0.7
167.08565	0.3
169.10149	0.9
170.10913	0.3
171.02902	2.0
171.11703	1.0
173.09648	0.3
173.13284	0.7
175.11145	1.5
175.14772	0.3
179.03441	0.3
183.11743	0.4
185.13229	0.8
187.11131	0.3
187.14827	0.3
189.16406	0.3
193.06546	0.3
193.12251	4.4
195.02965	0.4
197.13202	0.5
199.14876	1.7
201.16397	0.4
210.06871	0.3
211.13257	3.1
211.14937	0.5
213.16568	0.3
221.06068	0.7
225.09186	0.3
225.16377	0.4
229.01767	0.3
229.15907	0.3
237.03979	0.3
243.17467	0.4
253.08626	1.5
267.05032	0.4
267.21103	0.8
285.06073	2.4
285.10938	1.2
285.16437	2.1
285.18393	1.3
285.22192	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	284.9776
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.3
63.02207	1.2
69.03419	1.7
70.18346	4.3
73.02894	1.5
80.13261	1.1
84.08145	1.5
84.96700	1.2
85.02898	4.0
94.93020	41.3
95.06093	4.6
97.02905	1.6
109.91713	13.1
110.51495	1.4
112.89603	11.3
119.01891	1.6
120.02872	1.2
123.05565	5.1
131.01981	1.4
132.01758	1.7
133.03491	1.5
136.94022	11.4
150.95599	25.9
173.02892	1.8
174.03195	1.9
190.95096	72.9
194.94589	100.0
204.03775	1.5
208.96144	1.8
218.94601	3.4
220.96156	2.8
238.97108	3.3
266.96649	6.7
284.97763	20.4
285.10886	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	284.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.7
57.03425	0.7
63.98410	0.4
67.05491	1.7
68.58717	0.4
69.03414	0.8
69.07052	1.7
70.02952	2.2
70.06267	0.5
70.06596	7.3
71.51228	0.6
72.04498	0.6
77.20992	0.4
79.05509	2.6
80.05013	0.5
81.03399	1.3
81.07066	3.2
82.06578	0.9
83.08633	1.1
84.08130	0.5
85.02882	0.8
88.03974	1.3
90.05553	0.5
91.05453	1.0
93.07047	5.8
93.77015	0.4
94.06529	0.6
95.08589	2.3
96.08155	0.8
97.02895	0.6
97.06529	0.4
98.06044	0.7
99.93504	0.5
105.07016	1.6
107.08596	3.2
108.08124	8.4
109.02865	0.6
109.08878	0.5
109.10130	0.7
110.09662	1.7
111.08070	0.6
112.07621	4.6
113.76330	0.4
114.05493	0.5
116.03461	0.8
118.05000	0.9
119.08562	1.3
120.08052	0.6
121.02853	2.2
122.03193	1.6
122.09666	8.0
123.10432	2.0
123.11752	0.5
133.10138	0.9
134.09653	0.6
135.11720	4.6
136.11224	3.1
137.13235	0.9
138.09105	0.8
140.07091	2.3
140.10684	0.9
147.11673	0.5
148.11171	0.5
150.12779	12.7
151.13574	7.0
152.14307	0.6
153.01831	1.1
153.12756	1.0
153.15176	0.5
158.08134	0.7
159.17874	0.5
164.14355	1.8
166.12244	1.1
166.15942	0.8
168.06596	1.0
172.09731	0.5
176.14340	0.8
178.15927	5.8
180.10181	0.6
186.11212	1.4
194.15393	3.0
196.09746	0.8
210.11176	2.4
210.14906	4.0
211.12103	0.7
212.16484	0.6
222.14879	0.8
238.14311	0.9
240.15961	100.0
241.16325	0.8
242.17554	5.1
243.85413	0.4
284.18582	57.9
284.29340	1.1
285.03870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
53.58433	0.5
55.05491	1.9
57.07064	0.6
60.84591	0.5
63.00050	0.6
67.05489	2.0
69.03417	0.9
69.07059	1.9
70.02946	1.6
70.06590	3.2
71.51212	1.0
79.05513	3.1
80.97177	0.4
81.03410	1.1
81.07063	3.3
83.04939	1.2
83.08620	0.6
85.02899	0.7
88.03992	1.3
91.05467	1.0
93.06578	0.5
93.07057	7.2
94.06506	0.9
95.04976	0.6
95.08625	3.2
96.08125	0.6
97.02884	0.5
98.06026	0.5
105.07039	0.9
107.08621	3.2
108.08131	7.7
108.08843	0.5
109.08893	0.7
109.10163	1.0
110.09673	1.7
112.07601	2.2
119.08548	1.4
121.02859	3.0
121.80625	0.4
122.03231	3.1
122.09685	7.7
122.10503	1.1
123.10424	1.9
127.03910	0.5
133.10152	0.6
134.09677	0.5
135.11716	5.0
136.11227	2.7
140.07085	0.6
140.10736	1.2
145.04932	0.5
148.06505	0.5
148.11192	0.7
150.05428	0.7
150.12791	11.3
151.13573	6.8
152.14368	0.6
153.01813	1.0
164.14340	1.0
166.08754	0.6
166.12259	1.1
166.15924	1.1
168.06555	1.7
176.14310	0.6
178.15912	4.4
180.10141	1.1
186.11282	1.1
192.13770	0.8
194.15456	3.1
196.09645	0.7
198.11263	0.6
202.09933	0.5
210.11340	1.9
210.14940	3.2
220.13208	0.6
238.14461	0.8
238.18117	0.6
240.15967	100.0
241.16319	1.5
242.17569	5.4
266.07571	0.7
276.42313	0.5
284.13428	1.5
284.18582	56.8
284.21036	2.1
284.29434	1.3
285.03891	1.0
285.18793	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93533	0.3
56.05052	0.3
64.34681	0.2
67.05511	0.3
68.05029	0.5
69.03450	0.6
69.53673	0.6
69.54081	1.0
70.06596	100.0
71.05003	0.4
71.06937	0.4
76.17187	0.3
81.03410	0.9
81.07075	0.3
84.08180	0.3
85.02921	0.3
92.78696	0.2
95.04958	0.3
97.02932	0.3
107.08535	0.3
109.02900	1.7
112.07613	66.8
116.07081	1.1
118.05006	0.6
118.32654	0.3
120.08107	2.3
121.02892	0.8
122.03187	0.9
127.03986	0.3
135.11728	0.3
140.07072	19.1
150.05504	0.4
158.08153	2.8
168.06592	0.6
178.08664	0.4
206.08112	0.7
242.10287	0.5
246.51955	0.2
266.10303	0.5
266.13864	0.4
284.11118	0.7
284.14838	0.4
284.29440	0.4
287.79236	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0992
Annotation	NSC19994
Peak:m/z	Relative Intensity
55.01849	0.3
56.96557	0.9
57.03439	0.5
61.02929	0.5
69.03427	0.6
70.06576	0.8
71.06428	0.3
73.02910	0.3
84.08150	0.5
85.02917	1.4
87.45816	0.3
97.02879	0.7
98.97584	1.5
102.96861	0.5
109.02854	0.4
109.05163	0.5
110.03517	3.4
115.02950	0.3
116.98602	0.6
119.01907	0.6
128.04579	0.6
135.02061	0.5
135.03036	7.0
143.01918	0.3
152.05692	100.0
153.01875	0.4
153.04092	4.9
153.05980	0.5
161.01311	0.3
161.02948	0.5
168.06630	0.3
171.06639	0.3
177.00954	0.3
204.60754	0.3
219.01939	0.3
243.01955	0.4
261.03085	1.5
277.78833	0.3
280.25873	0.3
290.17722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.9
55.01876	10.8
55.05502	6.2
57.03436	11.3
59.04998	2.3
61.02923	7.0
67.05480	5.1
68.99785	2.4
69.03087	2.4
69.03436	36.3
69.07071	2.7
69.40922	1.5
70.06591	2.0
71.04989	7.7
71.12417	3.4
71.34216	1.7
73.02916	11.2
79.05482	4.2
80.05817	2.0
80.42908	1.7
81.02999	1.9
81.03426	27.0
81.07039	6.4
83.01325	2.7
83.04975	2.9
83.08611	3.2
85.02910	100.0
85.76123	1.6
87.00314	2.4
87.00835	42.7
91.03938	3.5
91.05481	4.7
93.07039	6.8
94.07352	3.0
95.04982	2.7
95.08620	4.2
97.02897	59.4
99.04465	19.3
105.01196	3.5
105.01875	59.4
108.04500	11.4
108.08939	1.5
109.02885	30.1
111.04367	2.7
112.04755	1.9
115.03898	1.9
117.01842	4.3
119.08580	2.1
119.12336	1.6
121.02834	1.7
121.10136	2.5
122.03208	2.0
126.05508	5.2
127.03927	92.8
129.01852	5.4
136.11993	2.0
145.04971	71.7
147.02832	3.3
153.01816	21.2
154.13077	3.0
155.16579	1.9
159.02898	26.0
164.11537	2.3
189.04021	2.3
213.04019	2.2
224.05759	2.0
228.13174	3.5
230.06609	5.1
231.03006	1.4
231.05049	25.8
248.07643	2.5
249.06073	6.2
284.09955	2.2
284.15704	4.9
284.29382	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69262	0.9
52.50082	0.9
53.03945	2.2
55.01880	4.6
55.05515	12.9
56.05845	1.6
57.03442	10.0
57.07078	5.3
62.97269	0.8
65.03930	1.9
67.05510	16.0
68.24144	0.9
68.80869	0.9
69.03423	1.4
69.07073	12.1
70.07399	1.9
70.81676	2.2
70.81994	1.0
71.04996	3.0
71.08638	2.0
73.02937	1.2
79.05500	28.7
81.03426	2.8
81.07061	21.6
83.05004	4.5
83.08622	10.5
84.08987	1.0
85.10161	1.2
89.06055	5.2
89.82414	0.9
91.05483	8.0
91.53681	0.9
93.07050	44.4
95.04987	6.7
95.08613	44.2
97.02895	3.9
97.06539	4.5
97.10172	3.8
99.04463	3.3
100.07545	0.9
105.07029	8.3
107.04959	10.5
107.08598	27.4
107.09314	1.8
109.06526	2.9
109.10170	3.1
111.04437	2.6
111.08060	1.6
117.07022	10.4
119.08590	9.9
121.06516	6.4
121.10138	15.4
125.06011	3.7
130.07799	2.5
131.08574	2.1
133.08601	2.0
133.10150	3.4
134.09695	2.0
135.11696	48.5
136.12010	1.3
139.07597	2.3
145.10130	31.7
150.13654	1.3
153.12772	1.4
159.97946	1.0
163.11192	68.3
164.11589	1.2
173.09657	2.1
181.12233	15.8
191.10869	1.0
209.11765	2.2
227.12801	100.0
228.13065	1.2
248.24585	2.4
249.80475	1.1
266.25620	2.6
283.15448	21.5
283.22507	6.7
283.26120	3.4
283.28394	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
51.34229	2.4
53.03941	9.6
55.01878	40.2
55.05518	72.2
57.03159	3.3
57.03442	63.5
57.07075	5.8
59.04989	6.1
63.69927	2.2
65.03942	2.5
67.05514	45.1
69.03413	3.0
69.07080	14.5
69.91634	8.6
71.01337	3.7
71.04990	10.5
71.55693	2.2
79.05503	64.2
81.03429	32.5
81.07062	60.6
83.01348	36.1
83.04993	44.3
83.08627	39.9
85.02908	9.3
85.06554	3.8
89.06037	5.3
91.04980	3.3
91.05491	45.5
93.07053	90.5
93.07643	4.6
95.04979	21.6
95.08617	28.1
97.02895	8.8
97.06549	14.9
97.10181	4.2
99.04462	8.9
105.07037	28.8
107.04953	22.9
107.08614	39.7
109.06541	20.9
109.10147	5.0
111.04424	6.9
111.08083	8.0
115.05435	2.4
117.07019	23.4
119.08588	29.0
121.06506	8.4
121.10151	29.7
123.08081	28.5
123.11732	1.9
125.06007	6.2
125.09632	4.4
129.06996	6.1
130.07794	4.7
131.08563	9.0
133.10141	6.7
135.08044	6.9
135.11702	50.3
137.09630	4.5
143.08589	2.4
145.10135	54.4
147.08038	4.4
153.12756	14.7
155.08591	4.1
163.11205	100.0
169.10060	2.3
173.09616	10.0
181.12248	17.4
191.10664	9.6
209.11766	26.8
227.12752	28.5
228.93570	2.2
248.58385	2.2
283.15421	92.0
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
50.89481	1.2
53.03933	3.2
55.01883	7.5
55.05513	16.0
57.03439	16.5
57.07078	1.4
61.31129	0.9
65.03928	2.1
67.05185	1.5
67.05510	24.3
69.03442	1.9
69.07075	10.0
71.04990	3.4
73.02930	1.4
79.05500	35.4
81.03424	5.0
81.07060	21.5
83.04987	10.0
83.08627	9.9
85.02917	1.4
89.06001	2.9
91.05480	14.1
93.07050	48.8
95.04970	11.9
95.08613	39.7
97.02904	7.2
97.06535	5.8
99.04494	5.4
103.05424	1.2
105.04516	1.2
105.07043	12.2
107.04295	1.4
107.04966	14.2
107.07885	1.7
107.08601	34.0
109.06519	1.7
109.10130	2.8
111.04443	4.7
111.08061	2.0
113.06019	1.3
117.07035	12.6
119.08580	13.7
121.02887	1.1
121.06523	7.1
121.10162	18.0
125.05947	3.3
128.06210	1.0
130.07776	3.2
131.08571	3.4
133.10117	3.9
135.08025	3.4
135.11703	57.2
137.09648	1.5
139.07520	2.4
143.08582	1.6
145.06491	1.6
145.10141	33.4
153.12729	2.6
163.11192	80.7
164.11423	1.1
173.09630	2.8
173.39024	1.1
181.12251	19.9
191.10612	2.2
209.11725	4.7
227.12796	100.0
228.13164	1.4
255.15945	2.8
283.15421	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10439	1.6
53.03942	4.4
53.32538	1.7
53.69792	1.7
55.01873	27.3
55.05507	24.9
57.03441	30.8
57.07062	4.9
57.36893	1.8
59.04981	3.5
62.97511	1.8
65.03928	3.0
66.25505	1.7
67.05180	2.5
67.05507	37.5
69.03434	2.0
69.07066	14.7
70.56420	2.9
71.01342	2.5
71.04977	5.8
77.03916	1.8
79.05067	3.0
79.05499	43.6
81.03442	9.2
81.07063	37.0
83.01341	3.0
83.04501	3.4
83.04988	53.2
83.08620	17.6
85.02887	4.7
85.06533	3.5
91.05478	19.7
93.07043	56.4
95.04964	13.4
95.08608	43.6
97.02875	8.1
97.06538	22.4
97.10123	2.9
99.04436	6.4
105.07024	14.1
107.04987	11.0
107.08601	37.0
109.06500	4.5
109.10139	12.3
111.04446	35.9
111.08091	10.2
117.07011	13.3
119.08578	17.4
121.02839	4.5
121.06507	7.1
121.10145	23.2
123.08046	5.0
125.05939	2.2
129.07034	3.5
130.07776	2.6
131.08604	5.7
133.10162	3.9
135.08081	3.1
135.11691	66.3
137.09598	2.2
139.07545	4.8
143.08459	3.2
145.10115	37.4
147.11642	2.0
149.09648	3.9
153.12752	63.2
155.08562	3.2
163.11186	85.0
173.09599	6.4
181.12239	45.7
191.10695	17.6
205.58441	1.8
209.11717	15.5
218.22153	2.0
227.12798	100.0
248.45241	2.0
275.41388	1.9
283.06293	2.4
283.15405	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66889	0.9
53.03940	2.2
55.01875	6.9
55.05509	8.5
57.03450	7.2
57.07065	3.8
59.04984	1.5
62.18545	0.8
65.03938	2.8
67.05511	13.8
69.03432	25.0
69.07074	100.0
71.01343	2.4
71.04982	3.5
71.08614	1.4
71.51397	1.7
73.13693	0.9
79.05127	1.0
79.05499	10.5
81.03429	10.2
81.06595	2.0
81.07062	34.9
83.05000	6.9
83.08620	3.4
85.02911	11.0
85.06551	1.6
87.04483	1.6
89.06065	1.3
91.05490	7.0
93.07047	13.7
95.04978	8.3
95.08613	12.2
97.02895	17.1
97.06530	3.1
97.10118	1.3
99.04372	1.2
105.07046	5.2
107.04955	3.2
107.08602	10.6
109.02873	3.0
109.06574	4.5
109.10168	7.8
111.04454	5.6
111.08056	2.2
113.06036	1.1
115.03934	7.1
117.07011	3.9
119.08604	5.1
121.02875	64.5
121.03869	2.2
121.06484	3.1
121.10158	7.1
123.04403	1.3
123.08054	1.6
123.11713	30.6
125.05988	1.2
125.09705	1.5
129.07001	3.0
131.04906	1.6
131.08586	5.4
133.10104	4.0
135.08061	1.8
135.11693	9.7
137.09630	1.2
139.03914	5.0
143.08514	1.1
145.06451	1.4
145.10129	8.0
147.11688	1.7
149.09602	1.6
149.13202	1.0
151.11195	43.9
153.12724	3.5
155.08574	1.3
157.10159	1.1
159.11638	1.2
163.11185	11.4
167.08427	1.0
171.11655	1.3
173.09642	1.9
173.72824	1.0
181.12280	3.4
185.09671	0.9
191.10658	3.7
199.11148	1.3
209.09889	1.3
209.11658	5.8
223.07632	1.0
227.12825	9.6
234.09111	0.9
265.07095	2.6
283.06039	1.2
283.10040	1.3
283.15317	15.5
283.20126	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01874	18.0
55.05270	2.5
55.05515	32.1
56.96531	2.0
57.03193	2.0
57.03443	24.8
59.04997	3.4
60.81585	1.5
62.97930	1.6
65.03948	1.7
66.67945	1.6
67.05193	1.9
67.05511	30.3
69.03420	3.2
69.07056	12.0
70.91048	4.2
71.04980	5.4
79.05078	3.5
79.05498	49.3
81.03432	13.1
81.07055	38.4
83.01337	8.4
83.04981	18.2
83.08617	19.2
85.02887	5.8
85.06522	2.9
91.05483	25.9
93.07048	68.5
93.07637	3.3
95.04996	12.5
95.08614	44.6
97.02885	6.4
97.06526	8.6
97.10135	2.4
99.04450	7.7
105.07047	18.2
105.39580	2.0
107.04964	18.7
107.08598	39.6
109.06500	6.7
109.10145	2.5
111.04419	7.3
111.08076	3.5
111.37159	1.9
117.07010	18.2
119.08578	21.2
121.05718	1.8
121.06483	9.5
121.10158	25.9
123.08069	8.0
125.05970	4.3
126.85990	1.9
130.07822	3.2
131.08574	4.4
133.10086	5.5
135.08067	5.4
135.10701	3.6
135.11694	56.7
139.07532	3.3
145.09048	3.5
145.10130	43.0
147.11678	3.9
149.09601	1.9
153.12718	8.2
155.08521	3.3
163.11186	90.4
173.09590	7.1
179.07303	1.9
181.12280	21.2
191.10703	2.8
209.11714	7.0
227.12790	100.0
283.15128	33.7
283.20502	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1539
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03950	5.2
55.01874	7.9
55.05280	1.1
55.05518	15.9
56.96559	2.1
57.03201	1.3
57.03442	14.8
57.07059	1.3
58.64113	0.9
65.03954	4.9
67.05186	1.4
67.05511	23.4
69.03437	8.2
69.07070	10.3
70.06577	2.1
70.25533	0.9
71.01348	1.1
71.04976	4.0
71.52067	1.4
73.02898	3.0
73.36050	0.8
79.05498	31.4
80.05779	1.2
81.03419	15.3
81.07063	25.7
82.07370	1.1
83.01324	2.7
83.04984	13.3
83.08620	9.7
84.08139	1.0
85.02908	7.3
85.06540	5.6
87.04472	1.2
89.06023	1.4
91.05487	14.5
93.07047	37.4
95.04969	14.1
95.08614	27.7
97.02894	5.1
97.06537	7.2
97.10167	2.2
98.97570	2.3
99.04482	4.5
99.08083	1.6
103.05447	3.2
104.05819	1.6
105.07037	10.3
107.04972	11.7
107.08604	23.1
109.02865	4.2
109.06494	3.8
109.10157	5.8
111.04456	7.2
111.08055	3.4
115.05454	1.3
117.07028	10.3
119.08595	10.8
121.02877	100.0
121.06509	5.7
121.10146	12.6
122.03171	1.6
123.04366	1.8
123.08064	2.8
123.11679	1.6
124.07583	1.2
125.05971	3.4
125.09667	1.6
127.03867	1.9
129.07002	2.6
130.07773	1.9
131.04897	1.0
131.08578	4.4
133.10141	4.5
134.09666	2.1
135.08084	2.4
135.10049	1.6
135.11700	36.0
139.03906	8.2
139.07532	2.0
143.08578	3.0
145.06499	2.0
145.09061	1.7
145.10139	25.0
147.08043	1.7
147.11682	1.4
149.09569	1.7
149.13229	1.0
153.12785	6.0
155.08531	2.2
157.10135	1.8
159.11673	2.6
163.11194	43.2
165.06999	1.5
169.10112	1.5
171.11668	1.2
173.09625	3.9
173.13268	2.3
181.10129	1.1
181.10648	1.2
181.12251	12.0
187.11258	1.1
187.14799	1.0
191.10690	3.8
195.08037	1.0
195.11975	1.1
197.13272	1.3
198.07228	1.4
209.09966	0.9
209.11638	5.4
209.13356	1.3
211.14946	1.1
223.14859	1.3
227.12785	49.7
233.11510	2.2
265.07098	4.1
265.19464	1.1
269.12833	1.2
283.02649	1.6
283.05719	1.4
283.15237	67.8
283.20547	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	283.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26388	0.5
53.03944	2.3
55.01872	1.5
55.05518	2.7
55.43858	0.5
56.96563	2.0
57.03435	1.7
57.07077	0.8
61.02924	0.6
65.03947	3.4
67.05513	3.6
69.03441	7.1
69.06738	0.5
69.07065	3.0
70.06554	0.6
71.01344	0.5
71.04996	1.4
71.51514	0.7
72.14597	0.5
73.02956	0.6
74.68377	0.5
79.05502	3.0
81.03425	15.4
81.07063	4.5
83.04972	1.0
83.08636	1.3
85.02911	6.8
89.06049	1.1
91.05498	1.9
92.37126	0.5
92.49352	0.5
93.07051	4.7
95.04966	6.0
95.08606	3.6
97.02376	0.5
97.02887	2.9
97.06534	1.3
97.36531	0.5
98.97592	2.5
99.04457	2.9
105.07042	2.4
107.04981	1.6
107.08596	3.0
109.02888	7.6
109.10172	2.1
111.04478	2.5
111.08098	0.6
114.06206	0.5
117.07077	0.9
119.08591	1.6
121.02878	100.0
121.03891	3.3
121.10151	2.4
122.03205	0.7
123.04440	0.9
125.09624	0.8
127.03936	2.3
129.05539	0.6
131.04903	0.5
131.08553	1.7
133.10118	1.1
135.08063	0.8
135.11757	1.1
139.03918	7.5
139.07463	0.6
143.08498	0.9
145.10136	1.4
147.04359	0.5
147.11697	1.1
149.13170	0.6
153.01826	1.9
153.12823	0.7
156.26323	0.6
157.10149	0.9
159.11670	0.8
163.11093	1.0
167.08548	0.6
169.10191	0.5
171.11656	0.7
177.00766	0.6
177.62384	1.0
181.12309	0.7
185.13466	0.5
186.62955	0.6
192.62941	1.0
195.08092	0.7
197.13391	0.6
209.11679	1.0
222.14153	0.5
223.14847	0.6
227.12709	0.5
228.63875	0.6
235.10748	1.0
236.07823	1.4
237.08765	0.6
251.10126	1.7
258.64862	0.9
265.07031	8.3
266.12668	3.4
278.71039	0.6
283.09802	2.7
283.15097	0.7
283.17401	0.9
283.20169	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	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.2
53.03945	0.6
54.39127	0.2
55.01873	0.7
55.05510	0.8
57.03446	1.1
65.03946	2.5
67.05499	0.8
69.03435	1.2
69.07063	0.5
69.39541	1.8
71.04990	0.5
73.02924	0.4
79.05499	0.7
81.03412	1.7
81.07055	0.9
83.04990	0.7
85.02905	1.5
91.05480	0.5
93.07071	1.2
93.65916	0.3
95.04980	1.9
95.08611	0.4
97.02911	1.0
98.97551	0.3
99.04460	1.0
99.08097	0.3
105.07017	0.4
107.04918	0.3
107.08601	0.6
108.42967	0.2
109.02895	0.7
109.10134	0.4
111.04444	1.9
111.08087	0.4
119.08611	0.4
121.02876	100.0
121.10180	0.4
122.03212	1.1
127.03912	0.4
131.08589	0.3
133.65137	0.3
135.11713	0.5
139.03918	2.0
145.10098	0.5
153.01831	0.5
153.12790	0.4
159.11659	0.3
163.11221	0.4
173.09734	0.3
178.96320	0.2
188.69156	0.2
195.07962	0.3
223.05971	0.5
233.92856	0.3
237.57809	0.2
257.38440	0.2
259.01410	0.2
265.07074	0.7
283.08109	1.3
283.15329	0.8
283.20410	0.5
294.47766	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	282.155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94963	1.8
53.03954	2.2
55.01861	4.4
55.05520	2.2
56.96569	14.5
57.03432	10.9
57.07073	2.2
61.02935	11.6
69.03432	23.1
70.06621	1.9
70.69137	5.2
71.05004	5.5
72.08179	2.2
73.02926	8.3
78.32338	1.7
81.03432	8.7
82.03771	1.9
84.08168	2.7
85.02913	100.0
85.06538	17.1
86.03271	2.1
86.09657	2.2
87.04443	2.2
91.03974	8.7
97.02898	25.7
97.83146	2.0
98.06039	2.1
98.97595	32.8
99.04479	6.1
102.96908	2.6
109.02882	10.8
110.97579	12.5
112.07642	3.8
115.03952	2.0
116.98601	8.9
119.01863	2.4
127.03936	26.8
128.98653	5.4
136.06213	2.8
141.05765	2.9
145.04985	49.4
150.07758	73.6
153.01874	12.3
156.03314	6.5
158.06651	4.7
158.99640	9.8
159.06795	8.4
163.06033	13.6
170.99689	6.9
174.04349	3.0
177.00763	4.3
186.04448	6.4
189.00757	6.1
191.03784	3.2
191.53960	2.7
193.03224	4.5
200.04503	4.1
200.54674	2.0
201.00639	2.4
201.04784	2.8
204.05415	2.7
211.09659	1.9
219.01826	6.4
226.11108	6.2
229.10710	5.0
237.02881	3.8
244.12209	4.2
252.12672	16.4
264.12628	9.4
270.13675	8.5
282.13757	17.5
283.13663	1.9
303.01447	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	282.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60706	0.5
55.01872	1.1
55.05507	2.2
56.05009	0.6
57.07064	0.5
58.99321	0.5
58.99587	4.7
61.56618	0.4
67.05515	3.6
68.05025	0.5
69.07085	2.4
69.19228	3.9
69.19633	0.7
73.01128	1.2
79.05495	3.2
80.05038	2.6
81.03376	0.5
81.07052	3.6
82.06576	1.3
83.08639	0.5
85.01114	1.3
86.00639	1.6
86.99065	3.7
87.02702	1.7
88.02225	2.0
91.05476	1.7
93.05784	1.4
93.07045	1.6
94.06586	1.1
95.08614	3.7
96.08154	0.6
99.02721	0.4
101.04231	1.4
105.00111	2.4
105.07039	2.8
106.06564	1.2
107.07353	0.8
107.08604	3.5
108.08118	23.7
109.10156	2.0
110.09680	2.2
112.02197	2.0
113.04240	0.9
117.07070	0.9
119.08588	2.4
120.04424	0.6
120.08089	1.8
121.02859	2.6
121.08886	1.5
121.10142	0.5
122.09685	4.8
124.02148	0.6
124.11236	1.1
131.08551	0.6
132.01144	1.8
132.08075	0.6
133.10118	1.6
134.09657	1.7
135.04405	2.4
135.10435	0.7
135.11591	0.5
136.11197	1.7
137.04149	0.9
138.03714	0.7
140.05334	2.5
146.02734	0.8
148.11194	2.5
150.12808	1.1
151.05827	0.5
151.14804	1.2
152.05272	0.5
158.02696	0.7
159.04784	1.1
160.11253	0.5
161.13232	1.6
164.06963	0.6
166.06844	4.4
166.08229	0.7
168.08397	1.0
173.06363	1.9
173.13092	0.5
174.12779	0.7
175.07866	0.6
176.14354	3.9
177.15106	1.3
178.15904	4.8
180.08403	1.6
181.09218	1.2
182.02769	1.3
182.08208	0.4
182.10013	0.5
183.03448	1.3
184.04221	0.8
193.10431	0.9
195.12100	0.6
210.05859	1.3
210.13158	2.4
212.07411	38.9
226.08928	0.5
236.14703	1.7
282.15234	100.0
283.15686	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1492
Annotation	Bharatamine
Peak:m/z	Relative Intensity
53.03946	0.8
55.01880	0.4
55.05503	0.7
56.96560	1.2
67.05518	2.1
69.07066	1.0
69.37183	0.3
69.86620	1.2
69.87021	0.7
75.58897	0.3
77.03946	0.7
79.05498	30.0
81.03397	0.3
81.07053	2.3
83.08633	0.3
83.76967	0.4
85.02923	0.3
86.06039	0.5
87.04469	0.8
89.13624	0.3
91.05495	1.6
93.07053	4.0
95.04970	1.2
95.08617	3.1
98.97592	1.1
103.05474	69.7
104.05787	0.5
104.07111	1.0
105.04510	0.6
105.07043	3.3
107.04964	33.3
107.08611	1.3
109.10169	1.1
114.23669	0.3
116.98644	0.3
117.07030	1.0
118.06546	3.4
119.07328	3.9
119.08610	0.6
121.02871	1.0
121.06480	2.4
121.10231	0.4
131.04942	24.3
132.08095	0.7
134.09662	62.6
135.11726	0.5
137.05440	0.4
145.10100	0.4
149.05983	1.5
150.18382	0.3
151.14835	0.4
153.01807	0.4
163.11205	0.5
164.87894	0.3
178.29587	0.3
180.25974	0.4
188.16959	0.3
191.62193	0.6
223.68095	0.3
227.12793	0.5
247.66129	0.3
265.12302	0.4
273.15308	0.4
282.14902	100.0
283.15237	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	282.1199
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
51.45487	0.2
53.63382	0.2
55.01866	0.4
55.04257	0.4
55.05507	0.2
56.96564	0.5
57.03450	0.9
58.85732	0.2
59.04989	0.6
61.02924	0.5
69.03434	2.7
69.74583	0.9
69.74989	0.3
70.02968	0.2
70.06583	0.5
71.01340	0.2
71.05000	0.3
73.02921	0.2
73.06541	0.2
75.04480	0.6
81.03413	0.3
81.04539	1.0
82.04890	0.4
82.05327	0.7
83.04986	0.2
83.05650	0.3
84.08144	0.4
85.02905	1.6
85.06533	0.4
87.04469	0.6
94.04036	0.4
97.02908	1.1
98.20829	0.3
98.97596	1.0
101.06016	1.1
103.07580	1.6
115.03967	0.4
119.03555	1.4
119.96004	0.2
121.02883	0.4
122.07149	1.0
123.07984	4.9
124.07652	0.4
124.08321	3.9
127.03963	0.3
127.12833	0.2
128.98619	0.4
129.05492	0.3
134.09613	0.3
136.06195	100.0
137.04599	0.7
137.06624	0.3
145.04979	0.6
147.06499	0.3
150.07803	0.4
153.01855	0.6
166.08070	0.3
177.00732	0.2
189.00760	0.2
214.03999	0.2
236.12784	0.3
259.01382	0.2
263.12961	0.2
267.99979	0.3
282.11050	6.6
282.17044	0.4
282.22287	0.6
283.10284	0.3
300.02679	0.2
300.06281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.38630	2.2
51.31052	2.1
53.03944	9.9
53.52771	2.4
55.01883	4.8
55.05313	2.2
55.05521	28.7
57.03441	26.3
57.07077	4.8
65.03950	4.0
67.05510	90.0
67.90528	2.2
69.07071	18.5
71.04990	2.6
71.51720	3.3
73.06578	3.3
77.90527	2.2
79.05501	100.0
81.03415	12.3
81.07061	74.1
83.04994	34.6
83.08619	10.3
91.05487	69.5
93.07051	70.8
95.04977	27.6
95.08610	33.1
97.06535	6.9
97.10171	5.3
105.07037	56.8
107.04960	8.0
107.08604	25.2
109.06509	6.0
109.10149	6.3
117.07047	11.4
117.58381	2.2
119.07803	4.2
119.08588	32.9
121.06480	4.5
121.10135	5.5
123.08073	4.0
127.07545	3.0
129.06998	15.6
133.10135	11.3
134.09659	13.8
135.08020	2.9
135.11710	4.7
143.08522	11.3
145.10144	10.3
147.11687	40.0
161.09647	5.9
161.13290	13.4
171.11711	31.3
175.04437	2.2
189.12778	8.2
207.13835	12.3
210.12831	4.4
261.05423	2.3
275.72757	2.4
281.17465	32.0
282.22192	20.2
290.91119	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03951	12.3
54.31475	1.7
55.01872	6.4
55.05513	38.8
57.03440	29.2
57.07081	4.2
57.14262	1.6
65.03931	8.1
67.05509	91.2
69.03433	5.0
69.07073	22.6
69.91031	3.7
69.91441	6.5
71.04984	6.1
71.08630	2.9
73.06548	3.9
79.05496	100.0
81.03415	21.4
81.07059	84.3
83.04980	36.1
83.08624	12.8
85.02914	2.0
85.06528	4.2
91.04906	3.9
91.05484	79.6
93.07047	78.5
95.04977	32.3
95.08613	43.7
97.02925	3.7
97.06531	10.6
97.10173	5.9
103.05507	2.6
105.07039	52.8
107.04970	14.0
107.08604	27.5
109.02842	1.8
109.06517	9.5
109.10157	12.9
111.08095	2.3
113.09663	2.3
115.05453	2.2
117.07009	12.0
119.08595	40.5
121.06512	4.8
121.10151	7.2
123.08082	6.9
123.11703	2.4
125.09631	2.1
128.06239	4.3
129.07001	22.0
131.08546	4.4
133.06470	3.6
133.10138	15.9
135.08072	3.2
135.11655	4.0
137.13307	2.6
143.08600	11.1
145.10132	9.4
147.08041	5.3
147.11694	39.6
151.11197	2.0
159.11714	2.4
161.09605	7.8
161.13272	15.5
163.11179	2.9
165.09149	2.0
166.66508	1.8
171.11696	28.8
175.07501	1.8
189.12711	11.9
192.09518	1.8
199.14854	1.9
207.13773	13.0
263.16534	2.5
266.99808	2.1
281.14236	3.4
281.17377	35.3
281.24939	2.6
299.06189	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	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.41204	1.7
53.03957	10.7
55.01859	6.2
55.05271	2.2
55.05514	32.4
57.03440	25.2
57.07075	2.2
64.49937	1.8
65.03944	4.0
67.05508	85.6
69.03440	3.8
69.07077	19.5
70.80524	3.7
71.04979	4.1
73.06532	2.1
77.03924	2.7
79.05498	100.0
81.03412	13.7
81.07061	62.7
83.04985	32.8
83.08651	10.2
85.06533	3.6
90.72913	2.1
91.05485	72.3
93.07046	69.2
95.04967	25.0
95.08614	38.6
97.06525	5.7
97.10162	5.9
99.08080	2.5
105.04567	2.3
105.06330	2.5
105.07041	51.2
107.04986	10.9
107.08602	23.2
109.06510	6.9
109.10159	8.9
111.08060	2.5
111.79956	1.9
115.05374	1.7
117.07022	8.2
119.08597	32.8
121.06499	2.3
121.10146	5.5
123.08055	8.1
125.09680	2.2
128.06190	1.9
129.07027	16.7
131.08586	4.8
133.06450	2.0
133.10147	14.8
135.11681	2.3
143.08600	11.7
145.10197	10.0
147.08040	3.1
147.10526	2.2
147.11696	45.1
161.09583	6.1
161.13278	15.1
169.10193	1.8
171.11707	26.1
189.12866	8.8
207.13846	10.5
221.04942	1.8
268.12265	2.0
281.17484	31.8
296.53738	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03951	11.7
55.01861	6.8
55.05272	2.9
55.05516	40.9
56.96563	6.1
57.03447	23.1
57.07062	4.9
59.04988	2.2
63.28415	2.1
65.03928	5.4
67.05510	84.2
69.03427	7.5
69.07072	33.3
71.04987	5.2
71.12952	3.8
73.06561	3.9
74.23261	1.7
79.05498	100.0
81.03442	15.2
81.07060	79.2
83.04987	32.6
83.08625	10.9
85.02905	4.6
85.06530	6.5
91.05488	72.8
93.07048	76.6
95.04978	25.7
95.08610	49.4
97.02897	3.0
97.06526	7.8
97.10162	4.8
98.97582	7.4
105.04501	4.4
105.07038	51.9
107.04945	7.6
107.08602	28.5
109.02878	1.9
109.06506	7.5
109.10162	12.5
110.97638	2.4
111.08064	4.0
114.94273	1.9
116.98643	2.7
117.07021	8.1
119.08587	32.9
121.06493	5.6
121.10141	12.4
123.08067	9.4
123.11738	4.1
128.06221	4.9
129.07027	15.8
131.08559	4.8
133.06468	2.9
133.10152	16.6
135.08023	2.8
135.11682	9.7
136.91261	2.0
137.09622	3.2
143.08519	10.2
145.10141	12.7
147.08055	5.4
147.11702	35.7
149.09601	2.3
149.13217	2.1
158.99577	2.6
161.09607	6.2
161.13260	17.9
171.11728	28.7
185.12021	2.4
189.12767	12.3
191.11865	3.7
194.12469	3.8
200.12450	7.3
207.13802	11.2
207.15463	2.3
209.13054	2.9
257.14194	12.3
263.14001	4.0
263.23343	2.6
272.14645	10.8
281.15082	4.8
281.17624	35.4
281.24835	3.4
299.06094	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	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03950	14.0
55.01866	6.3
55.05275	2.6
55.05513	34.3
57.03438	26.9
57.07066	3.2
65.03932	2.4
67.05506	84.8
68.19054	1.7
69.03428	3.9
69.07064	17.7
69.86268	7.5
71.05001	3.6
72.29247	2.0
73.06564	2.9
75.31481	1.6
77.03918	2.1
79.05495	100.0
79.05961	4.9
81.03420	17.5
81.06590	3.9
81.07059	70.9
83.04987	38.6
83.08614	7.1
85.06554	4.4
91.04910	3.4
91.05482	73.0
93.07045	76.6
95.04972	24.2
95.08605	42.4
97.02869	3.3
97.06528	9.0
97.10166	4.6
98.85349	1.9
105.04503	2.9
105.07035	47.5
107.04948	10.5
107.08591	20.4
109.06546	9.9
109.10159	8.8
111.08101	3.4
117.07009	8.3
119.08578	36.8
121.06494	2.8
121.10157	6.2
121.70213	1.7
123.08083	7.8
127.07530	2.7
128.06203	2.6
129.07013	19.3
131.08545	6.6
133.10135	19.0
135.08034	2.4
135.11700	3.9
143.08554	9.8
145.10112	13.1
147.08084	4.9
147.11694	43.4
159.11694	2.7
161.09639	9.8
161.13240	20.7
171.11679	31.9
179.14349	3.4
189.12767	8.1
207.13818	10.3
281.17444	41.8
281.24606	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	281.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.4
55.01865	10.8
55.05515	75.4
56.96564	14.5
57.03445	18.2
57.07093	11.7
57.07321	2.4
59.04997	9.3
61.02922	6.0
63.35915	2.1
65.03930	5.2
65.31178	2.9
65.44565	2.3
65.62686	2.2
67.05506	52.6
68.05861	2.9
69.03086	2.7
69.03430	28.5
69.07067	68.2
71.01345	3.5
71.04990	28.4
73.02913	11.8
79.05501	39.3
81.03408	9.0
81.07059	83.2
83.04981	18.2
83.08627	8.6
84.96046	6.0
85.02908	27.7
85.06528	10.5
87.04465	8.4
91.05479	51.6
93.07052	57.6
94.07352	2.8
95.04975	25.0
95.08615	58.5
97.02892	13.1
97.06516	14.9
97.10175	100.0
98.20801	5.7
98.97588	16.9
99.04450	10.1
101.06063	2.5
105.04525	4.1
105.06316	2.7
105.07031	59.6
107.04961	64.1
107.08598	48.8
109.02922	3.2
109.06536	18.6
109.10161	48.7
110.10487	2.8
110.97579	5.1
111.04457	8.5
111.08087	5.8
111.11709	8.2
113.05981	3.2
116.98619	7.2
117.05396	2.9
117.07030	11.8
119.04931	3.0
119.08593	38.0
121.06487	13.6
121.10147	64.7
123.04429	6.8
123.08099	14.1
123.11709	30.8
125.05955	7.9
125.09632	17.7
127.03932	6.6
127.07525	3.2
128.98596	3.6
129.05499	6.3
129.07025	7.6
131.08574	19.5
133.06480	6.6
133.10146	45.4
135.08064	16.0
135.11691	33.3
137.05986	5.7
137.09628	9.5
137.13243	12.0
139.11183	24.5
142.07802	3.8
143.07057	3.7
143.08578	11.9
143.10661	9.7
143.11678	2.5
144.09312	4.0
145.06482	3.5
145.10126	20.1
147.08058	8.4
147.11697	21.0
149.02391	3.0
149.09622	6.6
149.13237	14.3
151.07523	4.5
151.11185	7.1
153.01837	3.3
157.10118	10.7
157.12311	3.8
158.99634	5.1
159.08058	5.9
159.11700	22.0
161.01224	3.4
161.09637	12.4
161.13281	12.7
163.11182	9.7
163.14742	4.1
164.23982	2.5
165.09081	4.0
165.12750	6.0
169.10129	4.4
169.13760	2.3
171.08101	3.2
171.11717	6.6
173.13272	7.1
175.11206	8.6
175.14828	5.9
176.03293	2.5
177.00761	6.1
177.12756	13.0
179.00232	2.8
179.08562	2.6
179.14220	2.9
181.60823	2.4
183.11652	3.0
185.09578	4.0
185.13284	6.7
187.11191	8.6
189.09164	3.2
189.12775	7.8
189.16385	5.6
193.05142	6.8
197.01270	5.1
199.14819	3.2
199.61880	3.5
201.00714	4.1
201.12802	4.2
202.05730	3.9
203.14264	6.4
205.12129	5.5
207.13872	4.4
217.15816	6.2
219.01814	7.8
219.13861	5.6
221.15514	2.6
227.14255	5.3
235.16974	5.1
237.07550	3.1
245.15385	18.4
245.22659	7.9
246.33557	2.6
259.06491	5.9
263.16376	25.1
263.23621	6.4
266.99838	3.8
271.63953	7.6
281.11508	2.9
281.14682	4.8
281.17371	34.6
281.24802	17.5
299.06165	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	281.107
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03476	2.1
55.01857	0.3
55.04263	2.5
55.84574	0.3
56.96571	1.3
57.03428	0.4
67.05509	0.4
69.03433	0.9
70.06606	0.7
71.51237	0.5
72.08147	0.5
72.92798	0.3
73.02930	0.6
73.04748	0.4
81.03419	0.5
81.04546	11.7
82.05329	8.1
84.08145	0.4
85.02911	1.7
91.05427	0.4
95.08655	0.2
96.35577	0.3
97.02892	0.9
98.97587	1.6
108.05622	0.9
110.07173	0.6
110.97552	1.3
116.98602	0.6
120.08154	0.3
122.07166	19.7
123.07941	100.0
124.08321	0.4
128.98602	1.0
136.06198	16.1
136.07527	0.9
146.99702	0.4
150.87273	0.3
151.02885	0.3
160.04266	1.4
162.04131	1.8
165.05693	0.3
165.07744	5.6
191.03833	0.5
194.04526	0.5
200.04364	0.4
232.04810	0.3
251.09143	0.3
263.09558	0.4
265.59149	0.3
266.99951	1.1
281.10684	66.8
282.11081	1.0
283.03052	0.6
299.06305	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02354	1.7
53.03948	12.0
55.01865	3.5
55.05512	33.2
57.03439	27.7
57.07075	2.5
65.03933	4.7
67.05508	88.7
69.03434	2.2
69.07063	21.4
71.04996	3.2
71.08640	2.2
79.05495	100.0
81.03423	13.8
81.07056	70.9
83.04989	32.3
83.08607	11.1
85.06534	3.5
91.05486	67.7
93.07045	71.7
95.04965	27.0
95.08608	48.0
97.06525	7.8
97.10175	7.6
105.04506	2.2
105.07031	48.4
107.04967	5.9
107.08591	21.8
109.06525	9.3
109.10150	9.8
111.08088	3.4
117.06998	10.0
119.08586	29.5
121.06515	3.4
121.10123	6.0
123.08073	7.7
125.09698	2.1
128.06274	3.8
129.07019	18.5
131.08556	4.0
133.10121	16.1
135.08130	1.8
135.11691	3.4
143.08582	7.0
145.10110	12.0
147.08037	4.3
147.11700	42.9
161.09605	5.6
161.13237	17.5
161.14307	1.9
171.11693	32.3
189.12733	12.1
207.13783	13.9
229.24434	2.3
281.17410	37.5
299.06107	1.9
301.61627	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51450	0.3
54.03469	1.9
55.04254	2.6
56.96563	1.0
57.03440	0.5
61.44538	0.3
61.97213	0.3
63.71842	0.3
67.05506	0.5
69.03431	0.9
70.02961	0.8
70.06588	0.8
70.24320	1.4
72.08141	1.0
72.08505	0.3
73.02927	0.8
73.04739	0.3
77.89357	0.3
81.04547	13.3
82.05329	9.4
84.08131	0.5
85.02915	1.0
86.09674	0.5
91.05481	1.2
93.07072	0.3
95.08578	0.3
97.02898	1.1
97.07689	0.5
98.97593	1.4
102.05543	0.3
107.04908	0.3
108.05608	1.2
110.07163	0.8
110.97586	1.2
116.98589	0.4
119.03582	0.4
119.04929	0.4
120.06570	0.4
120.08107	0.5
122.07164	21.2
123.07944	100.0
124.08269	0.4
128.98602	1.4
129.10175	0.4
136.06203	16.7
136.07558	0.9
137.02351	0.6
137.04616	0.4
147.04457	0.5
150.02641	0.4
160.04272	1.3
162.04137	2.9
165.07751	6.7
166.05046	0.4
175.07785	0.3
176.09006	0.3
177.00778	0.5
194.04657	0.7
195.01836	0.5
263.09552	0.4
264.08008	0.4
266.99945	1.0
277.37064	0.4
281.10696	66.4
282.11346	0.5
283.03101	0.9
299.06216	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66486	0.1
55.38763	0.1
56.05037	0.8
57.03444	0.2
65.01472	0.1
66.02187	0.1
69.03458	0.2
69.15034	0.7
69.15456	0.6
71.05006	0.2
74.06084	1.8
79.05502	0.2
81.07025	0.3
83.04974	0.2
84.04501	0.2
84.08160	0.2
85.02921	0.2
86.09657	0.1
91.05456	0.2
92.02504	0.2
93.07076	0.2
93.16467	0.1
94.04047	0.5
97.02863	0.2
102.05544	0.9
105.07034	0.2
109.05154	0.2
109.06512	0.1
119.03560	5.6
119.04887	0.2
119.88564	0.1
120.06586	5.6
121.06442	0.1
122.07189	0.2
123.07970	0.6
131.04933	0.4
133.10095	0.2
136.06195	100.0
137.04601	2.5
137.06531	0.5
147.08069	0.1
147.09166	2.2
153.01828	0.2
162.04121	54.2
163.04442	0.3
256.80933	0.1
263.09140	0.2
267.00134	0.3
281.09991	10.2
281.14740	2.6
299.06168	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58240	0.3
54.14075	0.3
55.05500	1.1
57.07063	0.4
58.07425	0.3
58.99575	0.8
67.05479	0.4
69.07050	0.5
71.50684	0.5
79.05492	0.5
81.07051	0.5
87.02692	4.8
87.24259	0.3
89.04237	0.7
91.05485	0.4
92.05828	0.3
93.05751	0.4
93.07039	0.4
105.07025	1.2
107.07319	0.4
107.08582	0.4
108.04488	0.6
109.10159	0.3
117.05743	0.5
118.06548	2.7
119.07331	0.7
119.08568	0.4
120.08117	7.9
121.08067	0.5
121.08897	8.2
121.10178	0.3
122.09680	3.8
130.06534	0.6
132.08107	3.0
133.08861	1.3
134.09668	2.3
145.08888	2.8
146.09656	19.7
147.10458	3.9
148.11215	16.2
149.02347	1.3
149.11990	0.3
150.02606	1.3
153.01845	0.4
154.02061	0.3
159.10449	0.9
160.11253	1.5
161.11981	0.7
164.05396	0.4
172.11227	0.8
174.09126	0.5
174.12784	4.3
176.14359	11.3
179.09515	0.4
190.08682	0.6
192.10144	1.8
202.15860	0.3
208.11565	13.6
210.05917	3.0
236.14676	15.4
241.43843	0.3
280.13678	100.0
281.13980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03942	1.5
55.05514	9.2
55.48511	0.5
56.40754	0.6
56.96589	0.6
57.03420	0.9
57.07079	6.0
65.03944	2.4
67.05509	100.0
69.07075	10.7
71.04999	1.5
79.05500	14.1
81.07062	95.7
82.07394	0.7
83.05000	0.9
83.08628	5.6
85.06551	1.4
91.05474	5.4
93.07050	14.7
95.05013	0.8
95.08614	83.3
97.06543	1.6
97.10178	3.3
101.06048	0.6
105.07042	4.3
107.04946	0.9
107.08606	10.1
107.24687	0.5
109.06525	1.1
109.10166	47.3
111.11697	1.4
117.07042	1.4
119.08578	4.2
121.02888	1.8
121.06485	0.6
121.10155	8.7
123.08068	1.7
123.11720	25.6
125.09673	0.7
131.08591	5.4
133.10146	3.4
135.08067	0.7
135.11693	6.1
137.09625	1.7
137.13268	9.8
140.56657	0.6
145.10161	4.1
147.11684	2.9
149.02353	25.5
149.09648	1.4
149.13277	3.6
151.11212	0.9
151.14822	2.2
153.00554	0.6
157.54012	0.6
158.03319	1.0
159.11693	3.1
161.13258	1.6
163.11185	2.1
163.14862	1.3
165.12787	1.8
165.16374	0.9
173.13293	2.9
175.14926	0.9
177.12740	2.1
177.16431	0.9
179.14276	0.9
181.12268	1.4
187.14827	3.4
191.14371	1.2
195.13831	3.0
201.04813	0.5
201.16325	1.0
205.15875	1.1
209.15350	3.5
223.14998	0.8
223.16982	3.2
237.18582	1.3
243.21033	2.7
261.22238	2.9
279.09396	1.2
279.16379	1.2
279.19916	2.9
279.23221	38.3
280.23633	0.8
304.24420	0.6
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
53.03944	1.2
55.05513	9.6
57.03437	1.4
57.07085	3.8
59.78522	0.5
65.03945	2.7
67.05508	98.6
69.03462	0.4
69.06724	0.9
69.07069	10.2
70.60136	0.9
70.60464	0.7
71.04977	1.5
71.05349	0.5
79.05496	13.8
81.03433	0.6
81.07061	100.0
83.04972	1.5
83.08621	4.4
85.06531	1.5
91.05476	5.3
93.07053	11.7
95.04993	0.8
95.08611	78.5
97.06546	1.4
97.10177	2.1
99.08064	0.7
105.07037	3.6
107.08601	9.0
109.06518	0.8
109.10162	43.9
111.08100	0.8
111.11700	1.2
117.06977	2.4
119.08593	3.8
121.02826	0.8
121.10153	7.7
123.08069	1.3
123.11712	25.1
127.07579	1.0
131.08559	4.3
133.09261	0.5
133.10104	3.1
135.08075	1.0
135.11691	4.7
137.09619	1.0
137.12320	0.9
137.13260	9.2
145.10115	3.0
146.11278	0.5
147.11732	3.1
149.02351	19.9
149.09618	1.2
149.13284	3.2
151.11198	0.9
151.14815	2.8
153.48013	0.5
159.11670	3.0
161.13286	1.8
163.11182	1.6
163.14804	1.6
165.12791	0.9
165.16478	0.7
167.10721	0.8
173.13266	3.2
177.12759	1.8
177.16371	1.6
179.14313	0.6
181.12292	1.5
187.14761	2.8
191.14330	0.9
195.13811	2.6
201.16476	0.9
205.15915	1.0
209.15378	2.2
219.21051	0.5
223.16983	2.7
237.18600	1.5
243.21089	2.7
261.22186	5.2
279.09436	0.8
279.19836	2.7
279.23190	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	Hedaol B
Peak:m/z	Relative Intensity
52.62200	0.9
53.03937	2.1
55.01868	5.1
55.05515	16.7
56.96563	1.1
57.03443	4.6
57.06834	0.9
57.07078	13.2
59.04982	1.1
65.03925	3.2
67.05505	78.0
69.03411	2.5
69.07072	27.3
70.62714	1.5
71.04989	7.9
79.01791	1.0
79.05495	25.3
81.03411	2.8
81.07059	100.0
82.07384	0.9
83.04995	4.7
83.08618	11.1
85.02885	3.2
85.06534	5.9
91.05489	13.0
93.07049	30.6
95.04964	5.1
95.08610	82.8
97.02895	1.5
97.06537	6.8
97.10192	6.8
98.97590	1.4
99.08076	2.2
105.07028	14.3
105.78864	0.9
107.08595	20.8
109.02882	1.2
109.06516	7.1
109.10162	40.8
111.08087	4.4
111.11742	1.3
113.09603	1.4
117.07016	3.5
119.08582	9.9
120.08099	0.8
121.02875	3.9
121.03980	1.1
121.06519	1.9
121.10144	15.9
123.04489	1.0
123.08073	2.7
123.11711	20.3
125.02357	1.1
125.09627	3.0
127.03934	1.8
129.07005	1.4
131.04953	1.1
131.08578	10.1
133.06538	1.2
133.10115	9.0
135.04408	1.6
135.08073	2.9
135.11693	14.0
137.05984	1.1
137.09612	4.2
137.13274	9.1
139.11192	2.4
145.10114	7.2
147.04390	2.0
147.11684	8.3
147.42509	0.9
149.02347	69.4
149.09639	3.7
149.13228	4.6
151.07585	1.2
151.11201	3.1
151.14836	2.4
153.01813	16.2
153.02980	1.4
153.12738	1.7
159.04446	1.4
159.08040	1.0
159.11667	5.2
160.28922	0.9
161.06018	1.1
161.09645	1.6
161.13269	4.9
163.03886	1.2
163.07422	1.0
163.11232	1.7
163.14809	3.3
165.12737	1.7
165.16339	1.3
167.03496	1.0
167.10782	1.0
167.14305	1.2
173.11847	1.6
173.13274	4.9
175.14859	1.7
177.05508	1.3
177.12695	1.3
177.16367	1.7
181.01213	1.0
181.12187	1.1
187.14857	3.1
191.08633	1.3
191.17897	0.9
193.15941	0.9
195.13808	1.9
205.04933	1.4
205.15898	1.8
209.15227	2.0
214.50739	0.9
215.14275	1.0
219.13882	1.5
219.17355	1.2
223.16977	2.2
233.04477	1.8
237.18475	1.5
243.13731	0.9
243.21118	6.4
261.14908	1.9
261.22165	16.5
271.13803	2.5
276.94693	1.0
279.04962	5.3
279.09329	1.6
279.15955	4.0
279.23230	54.4
281.82144	0.9
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	Gorlic acid
Peak:m/z	Relative Intensity
53.03942	2.1
55.01862	1.4
55.05511	19.8
57.03424	2.2
57.07077	8.9
59.04991	2.0
59.05314	0.9
65.03942	4.2
67.05505	90.0
69.03429	1.8
69.07070	24.5
71.04984	4.6
71.51524	1.4
79.05494	22.2
81.03408	1.3
81.07056	100.0
83.04988	3.6
83.08619	10.6
85.02882	1.1
85.06539	4.2
91.05476	10.6
93.06480	1.7
93.07043	22.3
95.04984	2.7
95.08608	85.8
97.06513	5.1
97.10175	5.9
99.08094	1.7
103.93015	1.1
105.07026	8.7
107.04939	2.3
107.08601	18.0
109.06509	3.3
109.10153	40.8
111.08086	2.2
111.11704	1.0
115.05447	1.2
117.07014	3.0
119.08594	7.0
121.02861	3.3
121.06511	1.6
121.10136	13.8
123.08054	2.6
123.11707	17.1
125.09621	2.5
127.03907	1.0
131.08557	6.0
133.10136	6.1
135.08083	1.8
135.11711	10.2
136.12067	0.9
137.09621	1.7
137.13248	10.5
139.11142	1.1
143.03430	1.0
143.08559	1.0
145.06586	1.1
145.10115	4.9
147.11696	6.0
149.02345	53.2
149.09636	2.5
149.13245	6.4
151.11147	1.2
151.14830	2.7
153.01831	9.0
153.12750	1.2
159.11708	3.8
161.13243	5.3
163.11183	1.6
163.14832	2.1
165.12784	1.6
167.10725	1.1
167.14330	1.1
173.13185	5.5
175.14824	1.4
177.12759	1.7
179.14311	1.0
181.12268	1.1
187.13367	1.0
187.14883	3.8
191.14342	1.5
195.13882	2.2
205.04980	1.8
209.15344	2.3
219.21202	1.3
223.16945	2.6
233.22633	1.0
243.21091	5.9
250.42937	0.9
261.22165	13.2
279.06592	2.7
279.09406	1.8
279.16205	2.5
279.20572	2.2
279.23215	47.4
280.15469	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.3
55.01875	2.6
55.05513	1.5
57.03428	1.2
57.07085	6.7
59.47040	0.9
63.04153	0.8
65.03944	1.4
67.05509	2.5
68.99792	1.3
69.03423	2.1
69.07067	1.4
70.01329	3.6
79.05499	6.1
81.03423	16.6
81.07076	8.5
83.05007	1.7
91.05457	6.6
93.07051	3.9
95.04980	1.6
95.08610	2.0
97.02898	4.0
103.05486	9.3
105.03373	2.2
105.07037	4.4
107.04950	3.5
107.08618	1.9
109.02882	1.8
109.06521	19.4
109.10171	1.8
115.05467	5.4
117.07021	2.7
118.46252	1.1
119.04974	2.7
119.08601	1.6
121.02866	2.3
121.06550	3.6
123.00813	1.4
123.11739	1.6
125.02358	3.3
127.03951	1.8
131.04933	44.9
131.08522	1.7
133.02858	4.5
133.06483	2.3
133.10152	1.1
135.04437	3.1
137.02309	2.4
139.00259	1.9
139.03897	2.1
143.04987	1.6
145.02873	1.4
145.06534	3.8
147.04401	7.0
147.08078	1.8
149.02351	47.0
149.05988	3.1
151.03873	2.3
153.01834	15.5
153.02992	1.5
159.04427	64.9
159.11679	1.2
161.02296	2.4
161.05980	4.3
163.03925	13.7
165.01851	4.6
165.05527	2.4
171.02887	4.4
171.04330	2.4
173.05968	5.5
175.03920	4.0
177.01826	2.1
177.05476	27.4
179.03392	10.1
179.07072	3.0
181.01321	8.2
181.02760	1.3
181.04837	1.0
183.02960	3.2
187.03911	17.2
189.01735	1.1
189.05473	1.6
191.03401	4.6
191.07143	1.8
193.05037	1.9
197.00833	5.4
201.05470	2.2
203.03345	1.3
205.04979	100.0
207.02905	27.6
215.03445	9.8
217.01439	1.5
217.04964	3.1
217.08672	1.1
219.02922	1.3
219.06560	2.7
221.04457	6.8
223.02406	2.1
223.06015	1.1
233.04465	70.2
234.04860	1.2
235.02415	20.0
243.02994	2.9
247.06015	2.4
249.03798	1.1
251.05467	1.4
261.03970	19.8
261.14835	1.3
263.25732	1.2
279.05029	28.5
279.15964	2.1
279.23386	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53975	3.3
56.96551	6.8
70.29498	6.1
75.01522	2.2
78.30682	2.1
84.08129	9.5
85.02905	11.3
97.02881	4.6
98.97593	100.0
101.00853	2.6
110.97561	23.2
116.98622	31.4
128.98582	14.4
130.08617	5.3
134.99660	5.8
137.05469	2.6
145.03366	2.3
146.99695	6.2
158.98332	2.7
158.99677	42.5
169.03481	5.9
170.99658	12.6
173.03056	2.8
177.00725	41.3
185.02856	3.6
187.04614	2.5
189.00732	17.7
195.01723	3.2
207.01764	9.2
211.59962	2.7
215.04065	3.9
219.01753	7.6
237.02910	11.8
255.03957	5.7
275.06100	10.0
278.62872	2.3
279.04752	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0501
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
53.03921	1.9
55.01854	2.6
57.03416	0.8
57.07072	3.7
65.03923	0.7
67.05486	1.6
68.99753	1.1
69.03406	2.6
69.07058	1.1
71.01337	0.7
71.50756	0.7
77.03920	1.1
79.01854	1.3
79.05499	6.0
80.47307	0.6
81.03423	10.1
81.07063	5.9
83.04938	0.8
91.05492	6.0
93.07053	3.3
95.04945	1.5
95.08607	1.0
97.02892	4.2
103.05479	10.0
105.03414	1.0
105.07040	4.2
106.51064	0.6
107.04940	3.3
107.08559	2.1
109.02890	1.4
109.05827	0.9
109.06525	14.1
111.00801	1.5
111.04372	0.7
115.05455	4.1
117.03365	0.7
117.07027	1.4
119.04921	1.8
119.08582	1.4
120.08060	0.6
121.02838	2.0
121.06487	2.7
123.00728	0.9
123.04414	0.9
125.02351	2.2
127.03921	0.9
129.07033	0.9
131.04936	44.1
131.08598	1.0
132.31607	0.8
133.02843	3.9
133.06473	3.2
135.04404	2.8
135.08006	0.7
135.11620	0.7
137.02327	3.3
137.09631	0.9
139.00233	1.1
139.03871	1.3
143.03351	0.9
143.04910	2.2
145.02829	1.3
145.06453	2.8
145.10153	1.3
147.04425	6.0
149.02350	31.1
149.05980	2.4
149.13268	0.8
151.03886	2.6
153.01834	19.3
153.02942	0.8
159.04425	68.7
160.04811	0.9
161.02327	1.4
161.06015	3.5
161.09644	1.1
163.03917	11.9
165.01840	3.3
165.05492	1.5
171.02873	3.5
171.04440	3.7
173.05911	3.3
175.03914	4.5
175.07472	0.8
176.04750	0.7
177.01840	1.9
177.05481	27.1
179.03409	10.8
179.07037	2.1
181.01341	8.3
181.02846	1.1
183.02899	3.8
187.03908	16.5
189.01898	1.3
189.05502	2.2
189.09097	0.8
191.03392	5.4
191.07094	1.4
193.04977	2.6
195.02864	1.1
197.00836	6.1
199.03931	2.5
201.05522	1.4
203.03412	2.4
205.04973	100.0
206.05385	1.3
207.02905	29.9
209.04463	0.8
215.03397	12.7
216.04082	1.8
217.01324	1.8
217.04977	4.1
219.02943	1.4
219.06563	2.3
221.04465	7.5
223.02409	2.5
223.06062	2.1
229.04967	0.8
231.02946	1.4
233.04463	78.8
234.04767	0.8
235.02379	21.0
243.02933	2.9
247.06029	2.3
249.03963	1.9
251.05502	1.4
261.03940	19.4
261.07047	0.9
261.07858	0.8
279.05023	33.1
279.08185	1.3
279.16010	1.6
280.05609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12318	1.4
56.96572	13.6
70.36533	4.4
84.96037	2.4
98.97595	100.0
110.97578	6.3
112.99161	3.2
113.89928	1.4
116.98637	22.2
124.99143	9.0
128.98621	5.2
134.99669	3.5
136.94057	2.3
140.98576	4.2
143.00179	13.5
151.33714	1.6
158.99664	39.2
161.01256	4.2
170.99654	1.7
173.16684	1.4
177.00743	27.7
180.97575	1.9
189.00783	1.9
219.01755	9.9
224.73219	1.5
236.58591	1.5
237.02855	53.2
255.03886	34.0
279.03900	22.1
297.04852	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2529
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Peak:m/z	Relative Intensity
53.03949	0.8
53.34343	0.5
55.01892	0.9
55.05511	11.5
57.03452	0.7
57.07079	4.8
59.05000	1.3
59.86905	0.5
63.09502	0.5
67.05509	11.0
69.03427	3.8
69.07072	100.0
71.05009	1.5
71.08636	1.5
71.12301	0.6
79.05489	5.0
81.03446	0.8
81.07063	29.4
83.04994	1.2
83.08628	6.5
85.02921	0.5
85.06545	1.3
88.03996	0.8
89.84005	0.5
91.05485	4.2
93.07047	12.0
95.04971	0.7
95.08618	17.7
97.06520	4.3
97.10185	4.4
99.08089	0.7
105.07034	4.8
107.08597	9.8
108.08121	0.6
109.06528	0.9
109.10164	16.2
111.08077	0.9
111.11726	27.3
119.08574	4.0
121.06503	0.6
121.10159	10.7
123.08086	1.8
123.11717	10.4
125.09650	1.0
125.13294	1.1
129.73137	0.7
133.10100	3.0
135.11703	6.6
137.09662	0.6
137.13258	3.2
139.11192	23.4
145.10147	1.0
147.11694	2.7
149.09666	0.8
149.13258	2.6
151.11208	1.1
153.12752	3.8
159.11717	0.9
161.09668	0.6
161.13290	0.8
163.14836	1.6
165.12738	1.8
173.13177	0.7
177.16344	1.2
189.09111	0.7
189.16339	1.0
203.17934	1.2
213.12895	0.8
231.02904	0.6
235.16905	0.8
259.24283	3.4
277.03400	1.4
277.11142	0.7
277.21655	3.7
277.25232	25.1
278.21216	0.8
278.25427	0.7
297.29520	0.5
297.32922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2529
Annotation	5-(1-hydroxybutan-2-yl)isolongifol-4-ene
Peak:m/z	Relative Intensity
53.03948	0.7
55.01849	0.8
55.05516	11.6
56.02875	0.6
57.07085	5.2
57.67224	0.6
59.05007	1.5
62.87282	0.6
65.03939	0.9
67.05511	10.5
69.03426	3.0
69.07072	100.0
71.05001	1.2
71.08627	2.1
71.10926	1.8
72.73633	0.6
78.70919	0.6
79.05496	6.6
81.03432	0.7
81.07063	29.7
83.04966	1.4
83.08630	8.2
85.06555	1.3
91.05499	3.2
93.07045	13.8
95.08608	20.8
97.02903	0.8
97.06532	5.8
97.10155	3.7
105.07017	4.2
107.08604	10.3
108.08105	1.0
109.06532	1.5
109.10159	19.2
111.08106	1.4
111.11725	26.0
119.08584	5.0
121.09339	0.9
121.10157	12.2
123.04395	1.2
123.08084	1.5
123.11721	11.9
125.09655	0.8
125.13268	1.0
131.08571	0.8
131.24084	0.6
133.10167	3.3
135.11685	8.4
137.09624	0.9
137.13289	3.7
139.11188	20.3
143.08563	0.8
145.10112	1.4
146.06047	0.9
147.11679	2.3
149.09691	0.7
149.13284	2.6
151.11185	1.9
153.12779	4.8
157.06512	0.7
159.11681	1.1
161.13271	2.1
163.14851	2.1
165.12723	1.9
166.56798	0.7
171.11650	0.8
172.06926	0.7
175.14850	2.1
177.16365	1.2
203.17851	0.7
219.21251	0.8
259.02551	0.7
259.20633	0.9
259.24222	2.3
277.03406	1.2
277.14761	0.6
277.18472	1.0
277.21683	2.9
277.25235	26.7
277.28299	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03943	4.1
55.01888	2.2
55.05515	18.5
57.03439	3.7
57.07066	9.0
59.05001	4.0
61.50109	2.1
67.05507	34.4
69.03429	22.6
69.07071	27.7
69.70755	13.4
71.04988	15.5
79.05502	33.2
81.03409	8.1
81.07059	62.0
83.04642	1.8
83.04986	18.7
83.08626	15.0
85.06551	16.7
91.05487	25.6
93.07046	61.7
95.04959	11.0
95.08610	37.8
97.06521	7.8
97.10181	3.6
99.08079	3.1
102.05819	2.2
105.07032	39.8
107.04947	5.2
107.08598	51.6
109.06523	22.5
109.10159	46.8
111.08069	12.1
113.09637	17.9
117.06989	3.3
119.08585	39.8
121.06484	7.1
121.10150	61.3
122.07290	3.7
123.04443	2.6
123.08067	7.0
123.11716	24.0
125.09630	12.3
127.58675	2.0
131.08563	7.6
133.10141	44.2
135.08047	7.4
135.09059	2.4
135.11699	34.8
137.09633	20.5
137.13264	3.2
139.11206	13.5
143.08565	7.9
145.10158	17.9
147.08058	3.7
147.11670	17.4
149.02344	5.2
149.09607	17.2
149.13249	14.9
151.11183	49.1
157.10120	6.5
159.11757	10.9
161.09604	8.3
161.13254	15.8
163.11156	5.5
165.12794	9.0
171.11729	4.7
173.13255	4.7
175.11290	5.4
175.14848	26.9
177.12720	4.3
185.13271	8.7
189.12747	4.7
193.11978	2.7
193.15939	6.4
199.14845	5.9
201.16374	18.3
203.14351	10.2
215.17902	2.3
217.15982	3.0
217.19478	3.2
219.17522	3.8
235.16963	4.5
241.19562	10.1
259.20587	19.3
277.18445	6.2
277.21640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
51.02336	1.1
53.03950	7.3
55.01857	1.7
55.05516	16.9
57.07055	3.7
65.03920	1.3
67.05508	31.7
69.07070	14.2
70.75866	2.7
70.76214	1.7
71.04980	2.1
71.08630	1.2
76.68581	1.3
77.03950	1.3
79.05497	77.5
81.03379	1.2
81.06588	2.3
81.07058	36.5
83.08623	5.7
85.06525	2.2
91.05486	27.6
93.07047	100.0
95.04955	4.9
95.08611	24.8
97.06508	2.0
97.10139	4.2
105.07038	15.6
107.08604	52.8
108.58330	1.1
109.06555	1.2
109.10166	10.7
111.08098	1.3
117.07012	4.1
119.08587	12.0
121.10147	45.0
123.08067	1.3
123.11694	4.2
129.07080	1.5
131.08531	4.4
133.10147	11.8
135.08029	1.2
135.11697	47.6
137.09651	1.2
143.08574	2.0
145.10135	1.8
147.11697	7.3
149.09560	1.7
149.13271	19.8
151.11185	1.4
157.10075	1.5
159.11723	3.5
161.13260	3.7
163.14851	5.4
171.11661	2.5
173.13290	1.9
175.11171	1.6
175.14749	2.5
185.13200	2.6
195.13721	1.6
199.14749	2.0
207.13814	1.8
221.15378	3.3
235.16954	3.4
259.20630	2.4
277.21637	61.0
278.21722	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03945	5.9
55.05278	1.1
55.05517	16.3
57.07068	2.9
67.05509	34.3
69.07069	13.7
71.04994	1.5
77.03917	1.4
79.05498	71.7
81.07058	36.7
83.08633	6.6
85.06554	2.6
86.47597	1.1
91.05486	25.9
93.07047	100.0
95.04948	3.4
95.08611	25.0
97.10174	3.5
98.20777	4.5
105.04539	2.3
105.07040	13.7
107.08595	43.8
109.06544	2.7
109.10156	13.8
110.19275	1.5
114.89637	1.2
117.07024	2.8
119.08594	10.5
121.10146	39.1
123.08061	1.6
123.11682	3.7
124.57834	1.1
129.06935	1.9
131.08588	3.9
132.75078	1.2
133.10138	11.8
135.11703	54.5
137.13205	1.1
143.08549	2.5
145.10100	3.0
147.11717	6.4
149.13260	27.1
157.10152	1.5
159.11685	2.9
161.13269	3.8
163.11165	1.6
163.14818	4.6
171.11754	1.3
173.13319	2.1
175.11269	1.4
175.14845	2.1
181.12218	2.4
185.13185	1.7
195.13809	1.6
213.16434	2.3
221.15417	3.3
235.16966	5.0
242.78484	1.2
259.20483	3.2
277.21649	56.0
278.21957	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21818	10.6
52.33438	10.3
69.86588	60.4
70.51795	9.0
82.99844	23.1
97.02885	12.1
101.00880	100.0
113.00918	18.2
119.01939	97.9
131.01942	17.6
143.01904	77.4
145.03499	28.9
155.01880	41.6
157.03479	37.3
160.02298	12.4
161.02983	78.7
167.01961	21.6
173.02969	23.4
175.04507	15.4
179.01927	25.1
185.02933	78.8
187.04527	21.6
197.02943	48.9
215.04045	23.9
245.05070	74.7
277.03357	62.8
277.07687	86.5
278.46896	12.7
279.85980	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	277.2163
Annotation	Stearidonic acid
Peak:m/z	Relative Intensity
53.03945	4.5
55.01870	2.8
55.05512	20.6
57.03427	1.3
57.07057	2.3
57.93715	0.9
57.96740	0.8
64.07017	0.7
65.03947	2.1
65.88725	0.8
67.05510	40.2
69.07072	15.9
71.04983	3.1
71.08639	20.2
71.87608	0.9
73.06535	0.8
77.03922	1.9
79.05499	68.1
81.03410	3.2
81.07062	55.2
83.04990	4.9
83.08620	9.5
85.06547	2.4
91.04912	1.2
91.05486	28.5
93.07049	100.0
94.07360	1.0
95.04961	8.9
95.08613	35.2
97.06525	4.4
97.10166	4.4
98.21636	1.7
99.08099	13.9
105.04519	2.5
105.06324	1.5
105.07034	20.8
107.04950	3.9
107.08601	53.4
109.06528	4.2
109.10183	8.8
111.08096	1.5
117.07040	4.0
119.08595	11.4
121.06480	1.8
121.10152	41.9
123.08063	2.1
123.11718	2.3
123.84269	0.8
129.06969	2.8
131.08572	5.1
133.10144	9.5
135.11699	57.9
137.09616	3.3
139.11148	1.1
141.09097	2.6
143.08574	2.0
145.10143	6.1
147.11690	6.2
148.61334	0.9
149.09641	1.9
149.13275	16.3
151.11203	8.3
157.10143	2.0
159.11703	4.0
161.13281	7.9
163.11221	4.5
163.14842	3.7
167.10619	1.9
171.11661	1.8
173.13258	1.6
175.11240	1.3
175.14755	2.0
177.12779	2.3
179.14326	28.4
185.13263	2.4
189.12788	2.4
195.13802	2.0
199.14867	1.3
207.11745	0.9
207.13818	1.6
213.07776	0.9
213.16403	0.8
218.11769	0.8
221.15433	4.4
235.16966	4.3
239.90970	0.8
241.19577	2.0
259.20630	6.5
277.21643	83.4
278.21799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21818	10.6
52.33438	10.3
69.86588	60.4
70.51795	9.0
82.99844	23.1
97.02885	12.1
101.00880	100.0
113.00918	18.2
119.01939	97.9
131.01942	17.6
143.01904	77.4
145.03499	28.9
155.01880	41.6
157.03479	37.3
160.02298	12.4
161.02983	78.7
167.01961	21.6
173.02969	23.4
175.04507	15.4
179.01927	25.1
185.02933	78.8
187.04527	21.6
197.02943	48.9
215.04045	23.9
245.05070	74.7
277.03357	62.8
277.07687	86.5
278.46896	12.7
279.85980	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	277.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11238	0.5
56.39351	0.5
56.96566	2.4
57.07054	0.9
65.95847	0.5
69.03419	1.5
69.39314	4.0
70.95847	0.6
71.04995	1.3
71.95251	1.1
77.00890	0.5
81.03424	3.1
82.99848	2.3
85.02917	1.3
86.66384	0.5
87.53868	0.5
88.03260	0.6
98.97590	22.2
99.04446	1.7
100.00099	1.5
100.05235	0.5
101.00887	19.5
102.00943	0.5
109.02902	4.0
113.00872	2.9
115.02454	3.5
116.98623	10.7
118.01138	1.9
119.01929	34.6
120.02045	0.6
127.02380	1.0
129.03983	0.8
131.01903	5.1
132.95810	0.6
133.02716	0.6
133.03503	6.3
134.99660	3.5
137.02962	5.6
138.01617	0.7
138.43427	0.5
139.02420	3.7
140.10767	0.5
141.00301	0.9
142.01102	2.0
143.01897	7.8
144.02696	1.5
145.03485	5.1
151.04491	1.5
156.02744	2.5
157.03481	22.6
157.04781	1.2
159.00006	1.1
159.01405	4.7
159.05009	2.1
160.02206	3.0
161.02969	20.1
163.03847	5.5
166.01112	1.0
167.01878	2.7
169.03481	1.5
171.05043	1.5
173.03000	1.0
175.03017	0.7
175.04547	14.9
177.00966	6.0
179.04010	1.1
183.05003	2.8
184.02231	2.4
185.02969	9.9
187.04575	3.1
189.06087	1.2
192.94740	1.1
199.04523	4.5
200.02570	1.2
201.06085	4.1
202.03265	0.7
202.34369	0.5
203.04015	7.0
205.02444	0.6
209.02855	0.7
210.95894	1.7
217.05600	4.7
219.02071	1.2
221.05258	0.8
227.04037	1.7
234.95906	2.3
235.06601	5.4
235.16995	1.3
240.98763	1.0
245.05069	2.4
252.96931	2.2
253.05420	0.6
253.07724	1.7
258.99759	13.4
259.06665	3.3
267.95670	1.2
272.01187	0.6
276.97049	5.4
277.00879	13.7
277.07715	100.0
278.07938	2.1
294.97977	2.9
295.08810	32.5
296.08823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34711	8.1
56.22168	7.9
64.74842	8.1
69.38248	64.5
75.14673	9.3
82.73981	7.2
82.99863	22.3
98.21518	14.9
101.00877	100.0
113.00899	16.3
119.01944	59.3
127.02468	12.6
131.01923	12.6
143.01895	64.7
145.03506	24.0
147.01384	8.4
155.01915	18.2
157.03481	20.3
161.02989	89.5
162.57419	7.4
167.01901	16.4
173.02992	20.4
175.04579	12.2
179.01915	9.6
185.02960	57.0
197.02975	27.6
245.05074	78.6
270.52798	8.5
277.03278	38.5
277.07681	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.89548	13.5
66.28909	16.8
69.25864	12.6
69.57816	100.0
94.45623	15.1
97.98727	17.3
98.21500	19.7
101.00867	41.1
101.18895	16.4
111.04405	18.2
119.01953	30.7
131.01828	18.0
137.13644	14.6
143.01906	31.0
148.55559	15.1
161.03000	44.3
163.04071	18.2
179.01990	14.8
179.62828	14.1
185.02946	27.8
197.02946	16.2
245.05098	49.3
251.00224	14.5
277.03165	98.2
277.07642	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0344
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
53.03929	0.3
55.01849	0.6
55.05502	0.3
56.05017	0.7
57.03410	0.9
57.07058	0.2
58.99590	1.3
66.18021	0.2
67.05491	0.4
68.99775	0.4
69.03429	2.9
69.28974	0.7
69.29402	0.9
70.06514	0.2
73.02910	0.2
76.02223	1.6
77.03899	0.3
79.05468	0.7
81.03401	0.5
81.07058	1.8
84.04485	0.5
85.01120	0.5
85.02880	0.7
86.00625	0.4
86.99017	0.6
87.02679	0.7
88.02203	0.2
91.05471	1.7
93.07018	0.3
95.08612	0.3
97.01065	0.3
97.02869	0.5
98.09682	1.4
99.04425	0.6
99.08089	0.3
100.55725	0.2
101.03861	0.3
102.05558	1.1
103.04810	0.2
103.05460	3.4
105.03393	0.3
109.02848	0.2
110.09667	0.4
112.03957	0.5
113.04207	0.8
114.97672	0.2
115.03887	0.5
116.01669	2.2
119.04939	1.3
129.03375	2.0
130.04974	0.3
130.06848	0.6
130.08600	0.3
131.04939	2.2
133.02847	0.2
133.04921	0.2
133.06464	0.2
144.01126	0.8
145.06201	0.2
146.05991	2.0
147.04416	3.5
149.02386	0.3
156.08406	1.2
156.10188	1.6
157.01669	0.4
157.02858	4.3
157.10150	0.3
159.04404	1.0
162.02176	2.2
169.02905	0.2
173.02420	0.3
174.05544	1.0
175.03903	5.1
179.03406	0.2
179.04826	0.8
185.02341	5.0
186.02869	0.2
187.03915	10.2
188.03938	0.2
203.01479	0.4
203.03395	8.4
213.01822	8.6
215.03395	7.5
216.06937	0.9
228.00554	0.3
230.02077	0.9
231.02884	33.9
232.03227	0.3
241.01328	6.4
259.02383	46.5
259.11172	6.3
260.03015	0.9
277.03430	100.0
278.03848	1.4
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
53.01835	14.8
55.79490	16.4
61.94995	16.1
70.53829	43.1
78.18552	17.4
85.02911	28.3
101.00914	100.0
119.01936	82.5
131.01913	23.3
143.01921	50.5
157.03502	31.0
161.02979	76.0
168.31000	18.0
173.02951	23.9
185.03003	63.0
197.02942	48.5
202.08537	18.2
227.03961	17.4
245.05107	80.4
277.03192	76.9
277.07809	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47104	0.3
55.05511	1.6
57.03430	0.6
57.07067	0.8
57.15315	0.3
59.05008	2.3
67.05502	0.6
69.07062	0.7
70.06591	0.7
73.06550	0.4
79.05485	0.5
81.07052	1.3
82.07397	0.3
86.09700	0.3
87.04454	0.3
88.07626	1.2
91.05462	0.8
92.05824	0.4
93.07049	1.1
95.04955	0.4
95.08604	1.0
96.08904	0.4
98.21537	0.5
102.09193	0.4
105.07034	0.5
106.07351	0.3
107.04965	0.3
107.08600	0.8
108.08903	0.3
109.10143	0.7
109.21017	0.2
118.06548	17.3
119.07341	0.5
119.08572	0.5
120.08075	0.3
120.43365	0.2
121.10174	0.6
122.10483	0.4
123.11682	0.2
124.13676	0.3
130.69662	0.2
131.08586	0.3
132.08101	3.6
133.08881	1.6
133.10059	0.3
134.09657	0.8
134.10542	0.3
135.11653	0.5
146.09642	4.5
147.10406	0.3
148.37305	0.2
149.13268	0.3
150.13666	0.5
160.11142	0.5
165.01932	0.2
176.14354	64.2
177.14633	0.6
179.10390	0.2
214.21666	1.8
218.11823	0.9
229.07407	0.2
234.14813	0.5
276.19592	100.0
276.25363	4.1
277.19962	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.196
Annotation	MGK 264
Peak:m/z	Relative Intensity
55.05516	1.1
57.03429	0.6
59.05003	3.4
67.05509	0.5
69.42931	1.7
73.06549	0.6
77.21188	0.2
79.05482	0.3
81.07049	0.5
82.07349	0.2
89.56863	0.2
91.05476	0.2
93.07063	0.4
94.66609	0.2
95.08614	0.3
98.20722	0.2
101.06030	0.2
103.05484	0.3
105.07035	0.4
106.06568	0.4
107.08594	0.2
117.05798	0.3
117.06989	0.4
118.06548	16.6
119.07340	0.5
120.08115	0.3
120.08918	0.3
121.33947	0.2
123.04444	0.2
124.04749	0.3
131.04988	0.3
132.05276	0.4
132.08090	5.6
132.09029	0.4
133.08876	2.5
133.09859	0.4
134.09703	1.0
134.10538	0.2
146.09644	5.5
147.10390	0.5
148.41832	0.2
149.06007	0.5
150.06276	0.6
160.11151	0.4
163.07559	0.3
164.07898	0.4
176.14352	63.1
177.14761	0.6
216.13812	0.2
216.17337	0.2
232.13322	0.5
233.14159	0.5
246.14978	0.4
254.80101	0.2
276.19589	100.0
277.19968	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.1
53.03941	1.5
55.01873	1.9
55.93522	3.3
56.05011	1.1
56.96569	19.4
57.03447	4.9
57.07084	7.1
59.05005	0.9
60.04516	1.7
60.05657	1.1
61.02929	4.9
65.03928	1.1
67.05509	7.8
69.03436	10.0
69.43327	2.0
69.43732	4.7
70.06592	5.6
70.98116	1.4
71.04993	1.9
72.08142	1.5
72.93781	3.3
73.02922	7.5
74.06077	1.7
79.01867	8.7
79.05473	0.9
80.65385	0.9
81.03416	5.3
81.07076	0.9
81.39086	1.0
82.99866	1.5
83.04964	0.9
84.04491	3.5
84.08148	9.8
84.96024	4.1
85.02432	1.4
85.02911	18.9
85.06539	3.3
86.03276	1.1
86.09721	5.5
87.04464	2.4
88.03969	1.0
90.94830	2.7
94.06583	1.2
96.04504	0.9
97.02904	14.6
97.96782	1.2
98.01224	1.2
98.97593	50.1
99.04473	1.7
101.00877	10.0
102.00966	2.7
102.05579	1.4
103.03938	1.3
107.01316	2.5
107.05008	0.9
109.02880	3.8
110.01295	2.0
110.97585	11.6
112.07564	2.1
112.99110	1.2
113.00791	1.5
114.05527	2.1
114.06665	5.1
114.09163	1.6
115.02446	1.1
115.03896	1.9
116.98632	15.5
119.01911	14.7
120.02042	4.8
120.10625	1.0
121.01594	0.9
121.02884	1.5
123.04450	1.2
125.02344	3.2
126.05560	1.6
127.03918	5.3
128.02399	1.3
128.98608	8.6
129.10237	1.9
130.08623	1.8
131.00191	1.5
131.01894	4.2
131.95152	1.0
131.96143	2.2
132.02179	1.2
132.95839	2.8
134.99681	4.3
137.02927	1.8
140.02357	2.3
140.98628	1.4
143.00153	3.1
143.01912	29.6
143.03348	6.5
143.11812	2.9
144.02028	3.0
144.95786	2.8
144.98167	1.5
145.01712	1.1
145.03482	2.8
145.05031	1.4
146.02319	2.1
146.03548	2.7
146.99670	5.0
147.03093	1.5
147.04405	1.3
149.96065	1.4
152.02339	2.3
153.01849	100.0
153.02930	5.6
154.02174	4.7
155.01849	2.6
156.02034	3.0
157.03481	1.8
158.03662	1.6
158.97437	1.4
158.99673	15.7
161.01424	1.3
161.02959	30.1
162.03085	3.4
162.99098	2.2
163.04012	1.1
167.01927	1.0
169.03542	1.4
169.96620	2.0
170.03540	2.7
170.99655	8.0
171.02959	1.3
173.01299	1.3
173.02939	5.0
173.96063	1.8
174.03171	2.7
174.04480	2.1
175.02782	1.1
175.04449	1.9
175.11845	1.2
177.00719	11.1
182.03357	4.3
182.99739	1.6
185.01427	1.4
185.02916	5.2
185.06648	2.6
186.03172	2.2
186.96884	1.3
187.04477	1.4
187.97635	2.2
188.04732	2.6
189.00777	7.0
191.03825	6.0
196.05107	1.1
198.96758	1.2
200.04469	1.4
201.00713	5.5
203.02315	1.5
203.04021	10.0
204.07649	1.2
205.00104	1.4
207.01750	1.1
211.00966	1.6
213.00755	1.5
214.10699	1.9
216.04185	2.0
216.97964	1.2
219.01738	12.1
221.05182	1.6
222.05258	1.6
225.04048	1.5
226.98540	1.1
230.02074	1.6
231.01761	2.9
233.99428	1.1
234.99011	1.6
237.00832	1.3
237.02817	6.1
243.01717	2.7
244.99849	4.4
245.05128	10.1
248.03169	3.7
249.02771	1.9
253.03795	3.2
255.04463	1.1
258.13498	1.0
261.02832	3.7
263.00848	4.4
267.04279	2.2
271.04785	2.9
275.99307	3.0
276.06284	2.9
276.11591	12.6
276.16553	1.1
276.19305	1.3
276.99847	1.1
277.03314	1.5
277.07690	6.8
279.03891	4.5
287.00803	3.7
287.09763	13.6
288.10019	1.3
291.03943	2.3
294.10934	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03946	10.2
55.01870	4.7
55.05515	32.8
57.07072	9.5
65.03936	5.5
67.05508	41.2
69.03426	19.1
69.07073	27.4
71.04987	4.0
71.43402	6.0
77.03923	2.6
79.05499	58.6
79.05968	3.6
81.03425	6.3
81.07066	46.2
83.04995	29.2
83.08620	9.4
85.02867	2.3
85.06555	25.5
91.05485	72.4
93.07050	100.0
95.04993	19.7
95.08614	40.6
97.06530	6.4
97.10184	2.6
101.00878	5.3
101.06015	3.5
103.05490	3.3
105.04507	5.2
105.07034	72.5
107.04969	16.4
107.08599	48.4
108.42889	2.1
109.06541	14.8
109.10167	40.5
111.08092	8.5
113.06017	2.3
113.09657	3.9
115.05470	5.4
116.39586	2.3
117.07015	13.1
119.01917	2.6
119.08592	59.8
120.09416	3.2
121.06500	31.7
121.10149	69.8
122.07297	8.4
123.04429	5.0
123.08058	7.4
123.11708	10.6
125.09653	8.6
128.06227	2.3
129.06990	9.1
130.07793	4.7
131.04939	2.9
131.08585	39.7
133.06520	3.7
133.10136	40.2
135.08060	21.9
135.11679	24.3
137.09618	66.4
139.11183	4.8
141.07007	3.9
142.07796	5.6
143.08557	11.4
144.09319	4.5
145.03490	5.7
145.06465	12.4
145.10126	32.0
147.08038	6.2
147.11705	27.9
149.06007	4.4
149.09622	9.7
149.13284	8.0
150.30099	2.2
151.11192	4.8
155.08585	4.1
156.09404	2.8
157.10146	7.2
158.10919	6.2
159.08047	10.6
159.11751	18.4
161.09624	5.9
161.13319	5.0
163.07581	4.0
163.11215	13.8
163.14799	5.2
169.10187	4.3
170.18742	2.3
171.11758	6.3
173.09723	11.5
173.13268	53.7
173.14717	4.5
175.11217	8.7
175.14786	4.1
176.14377	5.0
177.12775	7.6
183.11693	9.1
185.03023	5.4
185.13292	3.7
187.11194	5.2
187.14830	5.4
191.14348	7.7
197.13216	4.7
199.14822	6.4
201.12762	17.6
201.16316	4.7
203.03979	3.1
215.14433	3.0
215.17937	6.4
217.15919	5.6
219.13722	4.4
229.19507	4.0
231.17496	4.9
239.17972	6.3
257.19000	54.2
275.16867	4.5
275.20108	90.0
275.23703	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02390	1.3
53.03939	4.4
53.71799	1.3
55.01879	15.2
55.05515	17.0
57.03419	1.7
57.07078	2.1
65.03913	1.1
67.05189	1.6
67.05511	22.3
69.07078	14.3
70.06575	2.2
71.04988	2.0
71.08610	1.9
76.88740	1.3
79.05493	27.7
81.03423	3.0
81.07064	39.2
83.04973	2.9
83.08631	5.9
85.06546	1.7
88.07629	3.0
91.05487	59.2
93.06490	1.6
93.07056	25.9
95.01294	1.2
95.04990	6.1
95.08614	18.1
95.31563	1.1
96.12582	1.4
97.06531	17.7
97.10148	3.4
98.21458	3.2
103.05490	2.5
105.04465	1.4
105.07037	90.8
106.08723	1.6
107.04964	9.6
107.08590	15.7
109.06517	3.8
109.10155	7.3
109.78193	1.3
111.08083	2.9
115.05479	1.4
117.07026	15.8
119.08592	45.3
121.06512	4.4
121.10162	8.2
123.08080	2.5
123.11699	2.3
125.09643	1.6
129.07054	2.8
131.08577	20.7
133.10141	55.6
135.08029	4.1
135.11710	4.4
137.09610	3.7
143.08562	3.1
145.06549	1.7
145.10136	14.8
147.11696	25.5
149.09590	7.6
149.13188	1.8
151.11165	2.6
155.08545	1.7
157.10152	2.7
159.11681	12.1
161.13274	4.4
163.11169	3.6
165.09114	2.0
169.10214	2.8
171.11755	2.1
173.13254	5.1
175.11179	3.3
177.12834	1.6
179.14430	1.6
183.11722	3.1
185.13327	1.4
187.11209	1.6
197.13287	2.4
229.19542	3.5
239.17972	3.8
247.20667	3.0
257.19012	8.7
275.20081	100.0
275.27756	24.7
276.20407	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	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.87804	1.0
53.03938	3.7
53.66571	1.0
54.70670	1.1
55.01874	10.4
55.05277	1.4
55.05516	21.4
57.03428	1.3
57.07069	2.9
57.82121	0.9
65.03948	1.4
67.05180	1.7
67.05509	24.3
69.03419	1.9
69.07066	8.5
70.06596	1.9
71.04980	3.1
71.06909	1.0
79.05499	33.2
80.65371	1.1
81.03409	1.5
81.07063	22.1
83.04997	2.8
83.08627	5.4
85.06522	1.5
88.07655	1.9
91.05489	37.4
93.07056	21.6
95.04991	5.3
95.08621	13.1
95.52179	1.1
97.06532	10.5
97.10150	3.8
103.05477	2.1
105.04492	1.3
105.07038	51.4
107.04961	17.6
107.08601	21.1
109.06519	1.4
109.10176	10.9
111.08102	1.6
115.05470	1.6
117.07008	10.6
119.08589	29.6
121.06477	2.8
121.10165	10.3
123.04486	2.1
123.08053	2.3
123.11720	2.0
125.09631	3.6
129.06975	3.2
131.08591	15.2
133.06503	1.0
133.09138	1.6
133.10133	28.5
135.08067	4.6
135.11676	3.7
137.09584	1.8
138.62122	1.1
141.07004	1.8
143.08551	2.9
145.10147	12.8
146.10844	1.1
147.08035	2.5
147.11702	21.9
149.09634	30.3
149.13254	1.2
151.11205	2.1
156.16302	1.1
157.10097	1.7
159.11719	9.2
159.80286	1.0
161.09651	1.9
161.13289	6.8
163.11185	2.7
169.10161	2.0
169.12341	1.4
171.11653	2.4
173.09618	1.5
173.11931	1.4
173.13231	5.7
175.11143	1.3
175.14847	1.3
183.11661	1.9
184.41530	1.0
187.11218	1.1
187.14899	1.4
189.12769	1.6
197.13252	2.7
201.12688	1.4
215.14336	1.2
215.17993	1.1
229.19586	5.0
233.15474	1.1
239.17941	3.3
247.20622	3.4
251.98943	1.0
257.19016	11.5
275.17007	4.1
275.20081	100.0
275.27750	16.5
276.20230	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02363	0.8
53.03930	1.9
54.82076	0.8
55.01866	2.4
55.05281	0.7
55.05519	12.4
55.26341	0.7
57.03420	2.7
57.07066	2.1
63.00479	0.6
65.03935	1.1
67.05508	17.1
69.03444	1.0
69.07070	9.1
69.37154	0.7
70.06571	2.1
70.96352	1.6
71.04981	2.6
73.54932	0.8
79.05495	22.6
81.03420	0.9
81.07056	23.8
83.04968	2.6
83.08619	4.2
85.06536	1.8
88.07652	3.4
88.08093	0.6
89.07931	0.7
91.05487	35.8
93.07047	18.7
95.04995	3.4
95.08060	1.1
95.08614	15.0
97.06528	2.3
97.10141	1.6
98.53286	0.7
98.61044	0.7
103.05439	1.2
105.07037	48.1
106.08662	1.2
107.04959	6.3
107.08602	12.8
109.06538	5.7
109.10170	6.3
111.08060	1.1
115.05454	1.0
117.07029	9.2
118.43401	0.7
119.08587	32.1
119.25291	0.7
121.06516	3.5
121.10132	8.2
123.08098	4.0
123.11677	1.4
129.07005	3.0
131.08582	14.2
133.06487	1.8
133.10135	37.4
135.08086	6.3
135.11679	4.4
137.09602	2.6
143.08588	2.7
145.10127	11.6
147.08038	1.1
147.11682	16.2
149.09666	6.5
149.13300	1.1
151.11212	1.6
155.08620	1.4
157.10144	3.2
159.08069	1.0
159.11694	7.8
161.09665	2.1
161.13255	4.5
163.07523	0.8
163.11189	4.3
169.10155	1.3
171.11649	2.1
173.13246	4.1
175.11209	2.0
175.14803	1.1
177.12766	1.3
183.11711	2.2
185.13266	2.0
187.11209	0.7
187.14824	1.5
189.12743	0.7
193.12239	0.8
197.13292	1.8
199.14844	0.9
201.12802	1.0
203.14328	1.1
205.15921	0.7
211.14975	0.8
213.16460	0.8
215.17877	1.7
229.19490	2.2
233.15236	0.9
239.17929	4.3
247.20657	3.4
257.19022	8.8
257.26819	1.1
275.20074	100.0
275.27771	28.0
276.20520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02384	0.9
53.03935	2.1
55.01864	1.9
55.05519	11.3
57.03422	2.6
57.07072	4.3
63.55695	1.0
65.03931	1.8
67.05511	18.5
69.03432	1.5
69.07072	9.3
70.06581	4.2
70.63519	3.0
71.04993	3.6
71.08626	1.3
72.18542	0.9
79.05496	19.2
81.07060	30.4
83.04979	3.1
83.08616	4.0
83.20561	0.9
83.81155	0.9
85.06540	3.1
88.07658	5.6
89.07957	1.2
91.05487	34.6
93.07056	21.5
95.04969	4.0
95.08616	14.2
97.06525	2.7
97.10204	1.9
98.21273	1.0
102.09190	1.5
103.05445	1.7
105.07037	49.6
106.08649	2.4
107.04983	5.8
107.08601	15.2
109.06538	7.5
109.10156	6.6
111.08083	3.8
115.05518	1.0
117.07034	12.1
119.08591	34.0
121.06519	3.9
121.10165	10.0
123.08076	4.8
123.11735	1.8
125.09615	1.3
128.06238	1.6
129.07008	2.7
131.08568	15.8
133.06552	1.4
133.10139	35.6
135.08076	8.9
135.11687	6.0
137.09618	3.1
141.06921	1.1
142.07785	2.3
143.08565	4.4
145.10123	14.4
147.11684	14.8
149.09648	7.8
149.65512	1.1
151.11156	1.8
155.08582	2.6
157.10135	7.5
158.10858	1.9
159.11720	15.5
161.09647	2.1
161.13301	5.5
163.11162	2.8
169.10130	2.9
171.11725	3.7
173.09659	2.1
173.13243	13.1
175.11099	2.3
175.14766	2.6
177.12775	3.6
183.11713	2.8
185.13240	2.1
187.11238	1.9
187.14883	2.4
189.12799	1.4
191.14377	2.1
197.13287	3.7
199.14813	3.7
201.12811	2.9
201.16348	1.3
203.14275	1.5
213.16431	2.6
215.14397	1.2
215.17958	1.3
217.15817	1.3
229.16013	1.1
229.19633	2.8
233.15512	1.3
239.18036	5.5
247.20586	3.5
257.18970	10.7
257.26718	2.2
275.20078	100.0
275.27765	41.4
276.20511	1.1
285.60217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02381	0.5
53.03934	1.8
55.01884	2.9
55.05275	0.9
55.05515	11.4
57.03431	1.3
57.07088	1.0
64.60300	0.5
65.03957	1.3
67.05512	15.8
69.07070	9.2
70.90889	1.3
71.04987	1.3
79.05499	19.6
81.03397	0.9
81.06595	1.0
81.07064	18.5
83.04971	2.6
83.08629	5.0
85.06493	0.7
91.05488	36.6
93.07049	16.2
95.04990	3.4
95.08611	12.9
97.06537	2.7
97.10149	1.5
101.05974	0.7
102.29922	0.5
103.05460	1.9
104.94523	0.5
105.07039	53.7
107.04986	3.5
107.08591	14.4
109.06522	3.3
109.10146	6.2
111.08108	1.2
114.08836	0.6
115.05427	0.8
117.07021	9.8
119.08588	33.3
121.06518	2.6
121.10152	6.8
123.08095	1.3
123.11691	1.4
125.09639	1.2
128.06172	0.9
129.07040	2.7
130.07835	0.8
131.08582	14.7
133.06549	0.9
133.10143	31.1
135.08041	2.5
135.11716	3.6
137.09625	1.8
141.06998	1.4
143.08562	2.4
145.10147	13.7
147.08035	1.4
147.11703	23.1
149.09636	7.3
149.13274	1.4
151.11177	0.9
155.08531	1.2
157.10127	2.5
159.08087	0.7
159.11703	7.6
161.09619	1.1
161.13278	6.5
163.11188	3.8
165.09181	1.0
167.10811	0.6
167.29546	0.6
169.10130	1.9
171.11685	1.8
173.09567	1.1
173.13231	4.7
175.11188	1.6
175.14804	0.8
177.12732	1.2
183.11693	2.0
185.13188	0.9
187.11163	0.8
187.14818	1.1
189.12749	0.8
193.12158	0.5
197.13248	1.6
201.12828	0.9
205.12303	0.7
211.14874	0.9
213.16409	0.9
215.17989	1.0
219.13763	0.8
229.15874	0.8
229.19518	1.7
233.15373	1.1
239.17912	3.5
243.11360	0.8
247.20607	2.1
257.19028	8.6
275.20081	100.0
275.27731	2.3
276.20441	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	2.3
55.01859	3.6
55.05516	15.4
55.83908	0.8
57.03439	1.0
57.07064	0.8
67.05506	21.8
69.03439	1.1
69.07072	9.4
70.63462	1.8
70.63803	1.2
71.04969	2.6
75.26589	0.7
78.87821	0.7
79.05496	25.4
81.07059	26.3
83.04971	3.3
83.08627	5.8
85.06548	1.6
87.69542	1.1
91.05483	38.5
93.07051	22.4
95.04970	4.1
95.08054	1.3
95.08617	15.8
97.06555	4.3
97.10155	2.6
98.36612	0.8
99.04465	1.0
103.05478	1.2
105.07037	55.1
107.04937	3.4
107.08590	17.3
109.06528	4.3
109.10168	7.4
111.08083	1.8
115.05458	1.8
117.07022	10.5
119.08591	35.3
121.06506	3.9
121.10165	8.0
123.04434	0.9
123.08064	3.0
123.11681	1.4
125.09665	1.1
129.07028	3.0
130.07802	1.0
131.08580	15.5
133.06499	1.6
133.10138	38.5
134.10727	0.7
135.08031	3.4
135.11671	3.4
137.09654	4.3
141.06992	1.4
143.08549	3.1
145.10133	14.9
147.08125	1.5
147.11703	20.5
149.09608	5.6
149.13216	1.2
151.11162	3.8
155.08551	2.2
157.10162	2.6
159.11688	7.9
161.09590	2.4
161.13266	5.7
163.11182	7.7
163.14804	1.5
165.12711	2.6
169.10150	3.3
171.11699	3.5
173.13264	4.8
175.11272	2.0
175.14778	1.4
177.12788	1.5
183.11713	2.9
185.13391	1.2
187.11273	1.3
189.12820	1.1
191.14359	1.1
197.13319	2.9
201.12752	1.4
213.53877	0.8
213.76526	0.9
215.14507	1.0
215.17981	1.0
229.19551	3.9
239.17908	6.0
247.20609	2.6
257.19025	10.5
275.20078	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	275.0916
Annotation	Phloretin
Peak:m/z	Relative Intensity
50.12529	0.1
51.03116	0.1
53.03947	0.8
53.76717	0.1
55.01867	0.3
55.05512	0.2
55.17769	0.1
57.70642	0.1
67.01868	0.3
67.05515	0.3
68.99819	0.1
69.07060	0.2
70.79054	0.2
70.79396	0.3
74.29238	0.1
77.03935	0.4
77.41041	0.1
79.05502	1.3
81.03415	0.2
81.07053	0.5
85.02908	0.3
91.05484	0.4
93.07035	0.3
95.04988	0.7
95.05489	0.1
95.08617	0.4
99.08109	0.1
105.04523	0.4
105.07034	0.5
107.04964	100.0
108.05292	0.8
109.06522	0.2
109.10151	0.3
117.07043	0.2
119.08617	0.3
121.06504	0.4
121.10133	0.2
123.04436	0.7
124.23236	0.1
127.03926	1.2
131.05005	0.2
131.08585	0.2
133.10187	0.3
135.11673	0.2
145.10132	0.2
147.11723	0.4
149.06032	0.8
151.03908	1.5
153.01848	0.1
163.07524	0.2
163.11143	0.2
169.04977	10.8
176.27873	0.1
181.04961	0.2
185.62532	0.1
257.19174	0.2
275.09152	1.4
275.20227	0.9
275.23044	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	275.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53149	4.9
55.01886	4.5
56.96569	73.6
57.03422	8.8
60.03255	4.9
61.02922	8.0
66.06052	4.9
69.03414	15.4
69.50016	17.6
69.50446	17.9
70.98120	50.3
70.99834	6.3
71.33818	4.9
73.02895	6.8
74.58954	5.0
81.03403	7.1
82.99828	11.3
83.04965	4.6
85.02523	4.3
85.02929	44.7
86.06016	5.4
88.99163	10.7
95.04957	7.0
97.02899	19.5
98.21532	4.6
98.97594	70.9
101.00890	61.7
103.02396	5.9
105.11180	4.4
105.18401	5.1
105.19316	5.9
110.97607	26.7
113.00867	20.5
114.05535	16.6
115.02412	6.4
116.98615	16.9
119.01927	87.2
121.02877	13.2
125.07162	8.3
127.02431	20.8
127.03957	7.0
128.98607	18.5
131.01913	27.7
137.02896	6.8
138.09038	4.7
139.02452	11.6
143.01926	30.8
145.01695	5.6
145.03435	45.2
146.99649	15.6
153.01820	27.6
154.96552	10.4
155.01947	35.0
156.98108	9.9
157.03484	13.2
158.99757	5.7
161.02966	26.1
167.01884	11.4
169.03477	65.7
171.05032	10.3
172.97607	40.7
173.02954	23.0
173.06821	6.1
174.99185	29.5
185.02942	33.2
185.06551	5.5
187.04521	51.5
190.98662	38.2
193.00151	9.8
195.05089	9.4
197.02962	24.1
203.07782	5.4
208.04526	7.3
211.00906	7.4
213.06046	5.2
214.98682	7.0
215.03957	25.4
217.87143	5.0
218.98161	14.2
220.97774	4.5
221.02916	11.6
221.04979	9.0
223.01318	7.8
229.01997	17.7
229.05554	30.5
231.03445	5.9
232.99611	26.5
237.02975	9.6
239.04024	8.9
244.99777	15.1
247.03043	29.4
247.06674	14.4
251.00755	15.3
252.03539	27.6
257.05063	16.9
270.04626	24.3
274.97522	14.5
275.01630	10.6
275.06229	99.2
275.10965	100.0
287.00623	6.1
292.98593	6.6
293.03708	7.1
293.06943	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	274.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	8.2
59.21901	0.5
64.81668	0.5
70.48221	1.7
70.48637	1.2
71.60793	0.6
71.95266	2.6
74.09081	0.6
78.77407	0.5
82.99855	0.7
98.97593	100.0
101.00886	4.1
116.98633	30.6
119.01936	3.2
130.93336	0.6
131.96147	1.1
134.99681	5.4
140.00253	0.9
142.03506	1.6
169.59026	0.7
172.94373	5.3
177.00992	1.4
190.95287	2.3
197.95186	0.6
208.96274	0.7
214.95410	3.8
218.59172	0.6
227.07533	0.6
232.96362	4.1
238.95605	2.6
239.95616	1.7
240.95348	1.2
240.98834	1.3
248.46178	0.5
248.96135	2.1
249.99380	4.0
250.97066	1.9
251.46367	3.2
251.49110	1.1
251.96344	1.3
252.49403	0.9
254.26132	0.6
256.96490	21.3
257.96701	1.1
258.96399	1.9
259.96350	0.7
260.46945	1.8
260.96646	1.0
261.03094	2.8
261.50061	1.2
271.97937	0.6
274.97513	65.8
275.97916	1.1
283.00110	1.2
285.90811	0.6
292.98572	24.0
297.99011	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	25.3
56.96566	42.3
57.03460	17.6
65.42576	10.1
66.38870	10.1
68.99780	11.9
69.03452	12.6
70.06602	39.4
70.87350	12.0
70.98137	12.2
73.02922	14.0
74.00671	15.0
79.05495	19.0
81.03426	20.8
81.07034	17.7
84.04495	67.6
84.08171	17.1
84.96017	11.4
85.02895	22.9
86.06053	18.7
86.09747	22.1
91.05509	16.8
93.07042	11.8
97.02916	31.8
98.09708	15.6
98.97589	86.6
102.05554	18.0
104.42039	10.1
106.08629	10.5
106.37165	11.7
107.04947	29.9
107.08710	11.7
109.10139	14.9
112.11249	23.7
113.00002	22.3
114.05567	41.6
115.05452	12.9
116.07095	19.8
116.98628	26.9
129.10191	10.7
129.20908	13.9
130.04999	20.3
130.12274	70.0
139.03938	31.2
144.06609	25.4
145.06477	16.0
153.01862	100.0
153.05408	11.7
158.99687	15.5
162.07626	33.4
163.03995	15.9
167.07253	11.3
170.99699	11.9
172.97467	10.3
177.00723	38.1
179.11559	10.9
186.05853	14.1
191.03426	23.6
203.03667	10.9
219.01498	16.9
228.18651	10.5
229.00145	12.6
237.02945	12.6
247.02455	36.0
274.27493	38.2
275.01904	58.8
275.04984	22.7
275.09125	21.5
275.12775	13.5
275.19937	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	274.2741
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
50.02409	0.3
54.70059	0.3
57.07079	7.5
58.06591	0.7
62.06094	0.5
68.05042	0.3
69.35738	1.5
69.36166	1.1
70.06596	13.4
71.08634	3.3
75.67302	0.3
85.10190	1.1
88.07638	15.2
89.72617	0.3
102.09180	4.5
106.08672	8.6
139.75455	0.3
212.23701	1.0
215.33990	0.3
227.30957	0.4
230.24835	1.1
233.15631	0.3
251.45848	0.4
256.26370	6.8
274.27414	100.0
275.27734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03927	1.8
55.05515	17.6
57.07077	8.9
67.05514	23.5
68.16354	1.9
69.06732	2.6
69.07076	36.7
71.08645	2.9
77.09952	1.9
79.05492	16.6
81.07063	67.0
83.08633	17.7
85.67906	1.8
91.05489	16.6
93.06485	3.1
93.07046	35.3
95.08615	79.7
97.10184	11.2
105.07045	29.0
107.08606	55.7
109.10165	57.5
109.10763	1.2
109.10923	2.3
111.11739	4.2
117.07019	2.1
119.08580	29.5
121.09325	3.3
121.10156	43.5
121.11038	2.8
123.08129	2.4
123.11710	34.0
131.08580	5.3
133.10132	18.9
135.11702	30.3
137.13257	12.5
145.10130	4.7
147.11700	20.0
149.13275	44.9
151.14851	6.3
161.13260	25.4
162.84431	1.9
163.14845	27.2
163.46071	2.0
165.16399	3.5
173.13350	2.4
175.14836	11.5
177.16438	19.4
178.20322	1.7
188.98317	2.3
189.16418	20.5
191.17947	11.0
203.17976	20.8
217.19519	28.4
231.21155	3.1
269.87335	2.2
273.18619	7.3
273.22784	5.2
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	273.2578
Annotation	beta-Springene
Peak:m/z	Relative Intensity
53.03941	1.9
55.05511	9.5
56.53169	0.7
56.60374	0.8
56.96557	2.5
57.07070	5.3
65.03941	1.0
67.01846	2.1
67.05181	1.4
67.05510	17.3
68.99773	1.5
69.03422	1.5
69.07070	21.7
69.78620	4.1
71.04974	1.0
71.08625	2.8
77.03888	0.8
79.05491	13.8
81.03409	1.3
81.07063	35.3
83.08626	7.6
85.06558	1.2
85.10166	0.8
91.04915	0.8
91.05485	17.2
93.07047	23.8
95.04973	2.9
95.08611	38.8
97.02869	1.2
97.06527	1.0
97.10170	4.3
98.21526	1.0
98.97591	7.5
105.06316	0.9
105.07036	20.8
107.04954	2.8
107.08596	27.0
109.06506	5.5
109.10156	22.3
111.11715	2.3
116.98621	2.5
117.07032	2.0
119.04952	15.8
119.08595	16.7
121.06537	0.8
121.09329	1.4
121.10149	20.9
123.04431	3.5
123.08025	1.4
123.11700	10.8
128.06281	1.5
129.06956	2.3
131.08588	5.2
133.06480	2.2
133.10141	11.6
135.08063	2.7
135.11693	17.3
137.13232	6.1
141.06970	1.3
141.13904	0.7
142.07767	2.8
143.08562	5.1
145.06496	2.0
145.10107	6.1
147.04424	40.2
147.08070	1.1
147.11688	14.3
147.12804	1.1
149.09554	1.1
149.13266	12.6
151.03828	1.5
151.07600	0.9
151.14825	1.9
153.01836	100.0
155.08586	2.7
156.09360	3.4
157.10165	5.8
158.99654	3.2
159.08072	1.4
159.11725	3.0
161.05930	1.2
161.09654	1.1
161.13261	9.5
163.07553	1.1
163.14827	9.5
165.16396	1.4
166.07751	0.8
167.08586	1.3
169.10150	5.4
170.10863	1.1
171.02910	1.2
171.08139	1.0
171.11719	7.4
173.09673	3.9
173.13301	2.1
174.10506	1.0
175.11198	1.9
175.14830	5.1
177.00746	1.5
177.16406	5.7
180.09271	0.9
181.10208	1.4
182.10936	2.2
183.11690	2.3
185.09592	1.3
185.13254	2.5
187.14801	1.3
189.12773	3.2
189.16406	6.1
191.17943	3.0
193.10243	1.0
195.11711	2.4
196.12395	1.0
197.13281	9.2
198.14017	1.7
199.11171	3.1
203.18011	5.1
209.13208	1.6
211.14815	3.2
212.15601	3.3
213.12720	1.4
213.16359	6.2
215.14346	2.6
217.12282	0.8
217.19530	8.2
225.12665	1.5
227.14351	2.0
227.17824	1.3
229.15817	1.8
231.21153	1.3
237.16335	1.7
240.15233	1.7
245.18671	1.0
255.17441	13.3
273.07596	67.3
273.15054	3.6
273.18512	20.9
273.25784	48.3
274.07813	1.5
284.26099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1851
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03933	1.1
55.01851	0.9
55.05518	6.5
56.96555	0.8
57.03425	1.1
57.07082	4.5
59.05013	0.7
65.03933	0.9
65.94721	0.7
67.01859	2.6
67.05513	11.1
68.99783	1.3
69.03412	1.8
69.06727	1.0
69.07071	13.4
69.86062	3.6
71.04975	1.1
71.08618	1.0
74.36743	0.6
79.05499	11.0
81.03413	0.8
81.07063	21.7
82.00893	0.6
83.04987	0.9
83.08615	6.5
85.06557	1.3
91.05482	19.5
93.06490	1.3
93.07050	17.6
95.04967	5.2
95.08611	22.5
97.02888	1.6
97.10170	2.4
98.97594	3.5
103.05455	1.0
104.66869	0.6
105.07037	18.4
105.87633	0.6
107.04948	3.4
107.08599	18.3
109.06522	9.7
109.10157	13.7
111.04411	0.9
111.08103	0.9
111.11710	1.0
115.05453	1.4
116.98599	1.1
117.07007	3.3
119.04947	17.1
119.08586	15.1
121.06546	1.1
121.10142	12.6
121.37187	0.6
123.04408	5.4
123.08057	1.9
123.11707	5.3
128.06223	2.3
129.07016	4.5
130.07820	1.2
131.08578	7.5
133.06514	3.9
133.10136	9.4
135.04372	0.8
135.08060	3.8
135.11693	9.2
137.02336	1.0
137.09650	1.3
137.13260	3.0
141.07004	1.9
142.07796	2.6
143.08565	9.2
144.05685	0.6
144.09331	1.0
145.06532	2.4
145.10127	8.8
147.04414	42.5
147.08083	1.6
147.11703	11.2
148.04761	0.8
149.05983	1.2
149.09641	3.0
149.13234	6.2
151.03886	1.1
151.14796	1.1
153.01837	100.0
154.02174	1.4
154.07774	1.3
155.08543	4.5
156.09343	5.0
157.10143	9.4
158.10881	0.8
158.99672	2.0
159.08107	1.8
159.11670	3.9
160.03952	1.0
161.06017	1.7
161.09622	2.1
161.13255	5.7
163.03957	1.1
163.07527	1.7
163.14825	5.5
165.07021	1.7
165.16339	0.7
166.07751	1.0
167.08582	2.6
167.10727	1.1
168.09384	0.7
169.10095	5.8
170.10907	2.4
171.02989	1.5
171.11696	12.4
172.12453	1.0
173.09628	7.3
173.13258	4.0
174.10381	0.9
175.11176	3.2
175.14842	3.0
177.16386	3.7
179.03377	0.7
179.08527	1.4
180.09320	0.8
181.10114	3.3
182.10878	4.3
183.11700	3.0
184.12532	1.4
185.09634	1.7
185.13246	4.1
187.11185	1.6
187.14870	2.0
189.05464	1.6
189.12730	5.6
189.16293	3.4
191.17902	1.0
193.10188	0.8
194.10909	1.0
195.11713	4.4
196.12524	2.9
197.09634	0.7
197.13275	17.7
198.14063	1.0
199.11191	6.8
203.17944	2.4
207.11777	2.0
208.12387	1.1
209.13219	1.5
211.11259	0.9
211.14816	6.2
212.11946	1.0
212.15593	4.7
213.12791	2.2
213.16374	10.7
214.13506	1.0
215.14349	3.7
217.12291	1.6
217.19534	4.9
222.14113	1.8
225.12810	1.9
227.14337	4.2
229.15926	4.2
230.16769	0.9
231.17470	2.0
231.21227	0.8
237.16418	2.4
240.15147	2.2
255.06389	0.8
255.17455	19.4
273.07590	71.0
273.15067	3.6
273.18503	36.3
273.25769	25.9
274.07944	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	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05514	7.3
59.05004	2.0
67.05502	8.9
69.03413	2.1
69.07056	4.9
69.48376	9.5
71.04984	4.5
79.05495	5.6
81.07060	10.1
83.04982	3.2
83.08613	3.0
85.02912	1.9
85.06532	5.7
91.05482	7.8
93.07061	10.4
95.04971	20.2
95.08602	7.5
97.06495	2.9
98.21545	2.5
99.08060	1.4
105.07047	20.1
107.08592	13.9
109.06532	21.0
109.10158	9.6
111.08082	6.7
117.07054	8.7
119.08593	23.5
121.06481	1.6
121.10156	6.3
123.08076	18.5
123.11697	3.7
125.09650	1.9
128.06171	1.7
129.07004	5.4
130.07831	2.0
131.08578	18.9
133.06473	2.3
133.10126	11.8
135.08084	9.2
135.11703	3.9
137.09621	7.7
141.07001	2.0
142.07762	5.9
143.08592	14.5
144.09296	2.1
145.06508	1.9
145.10136	42.0
147.08041	5.9
147.11703	16.0
149.09622	4.3
151.07489	2.8
151.11195	4.0
153.01764	1.9
155.08513	5.0
156.09349	11.6
157.10129	25.3
158.10876	4.7
159.08044	4.9
159.11714	17.6
161.09642	5.2
161.13278	4.0
163.11176	3.9
165.06946	1.4
166.07707	2.2
167.08540	2.5
169.10155	5.2
170.10890	3.3
171.11693	21.4
172.12468	2.2
173.09604	10.0
173.13277	29.2
174.10403	2.8
175.11195	10.1
177.12785	2.5
181.10121	4.2
182.10886	5.3
183.11728	3.7
185.09619	1.9
185.13280	8.8
187.11195	15.9
187.14824	6.4
189.12732	16.1
189.16472	1.8
191.14311	2.2
195.11700	4.3
196.12625	1.7
197.09689	1.9
197.13248	15.6
199.11157	10.4
201.12689	2.4
203.14331	6.0
207.11533	1.7
211.14839	2.7
212.15527	3.4
213.12752	4.8
213.16400	13.0
214.13542	2.3
215.14330	43.0
217.12334	8.3
225.12781	2.4
227.17921	3.4
229.15900	5.8
230.16754	1.5
231.17464	14.8
237.16467	2.6
240.15121	2.5
245.19135	1.9
255.17459	29.6
273.18512	100.0
274.18906	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15873	0.7
53.03942	1.3
55.01861	0.9
55.05516	6.7
58.99581	1.8
61.00883	1.1
61.01160	13.6
65.03944	3.6
67.05500	1.3
68.99784	1.1
69.03443	1.0
71.06171	0.8
71.06500	1.0
72.08164	0.8
79.05510	9.5
81.07068	3.3
83.05009	1.0
83.56345	0.9
86.99069	2.1
89.00632	13.7
89.03919	1.1
91.05490	32.3
93.03416	2.7
93.07042	7.3
95.04959	2.8
95.08637	1.7
101.00593	1.2
103.05460	2.0
105.00122	3.4
105.07041	100.0
106.07381	1.1
107.04966	8.6
107.08607	15.7
109.06548	0.8
111.04456	7.3
115.05450	2.1
117.07001	1.0
119.04957	2.5
119.08602	0.9
121.06544	1.4
121.10161	8.4
121.82426	0.7
123.04446	14.3
131.04951	1.4
131.08572	10.3
133.10144	89.8
135.04430	21.9
137.02365	3.2
137.04227	10.6
137.05992	1.5
139.03894	7.4
143.04948	1.1
147.04448	1.8
149.06003	2.1
151.03978	1.0
151.07561	1.1
151.10179	0.9
151.11165	5.1
152.06206	1.8
153.01830	1.2
153.07047	5.0
157.07623	0.8
157.10146	1.6
161.02702	1.1
163.03922	6.1
163.05768	1.5
165.07338	14.5
169.06473	0.9
171.04483	1.7
171.08136	0.7
181.06508	5.6
189.05516	1.9
191.08965	2.6
199.03922	2.5
199.05801	0.8
199.07509	3.9
203.03531	0.9
209.06128	1.3
213.09247	1.7
217.05034	2.0
227.03554	0.9
227.07144	1.6
241.08586	1.8
245.04578	3.7
245.08138	4.4
255.06575	2.7
255.10562	1.7
273.04083	3.1
273.07700	3.1
273.11548	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	273.1162
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77565	0.9
53.03952	2.0
55.01860	1.6
55.05514	8.5
55.37435	0.8
56.05038	1.4
56.47718	0.9
57.03420	1.5
58.93439	0.8
58.99578	2.6
61.00885	1.2
61.01157	13.2
65.03947	4.6
67.05492	2.7
68.99794	1.4
69.03066	0.8
69.03423	2.7
70.06593	1.5
70.08939	2.7
71.04980	1.5
72.08132	1.1
79.05500	9.4
81.03401	1.5
81.07045	4.6
83.04987	1.7
84.04495	2.9
84.08140	2.0
84.37206	0.9
85.06549	1.4
85.91681	0.9
86.99046	2.2
88.27106	0.9
89.00084	1.0
89.00626	14.0
89.03896	1.4
90.47491	0.9
91.05488	29.5
93.03403	4.8
93.07061	10.0
95.04974	6.9
95.08595	2.4
97.02932	1.4
103.05444	2.5
103.78467	1.0
105.00068	2.8
105.07040	100.0
107.04962	17.2
107.08606	19.1
109.06506	1.4
111.04454	12.7
114.03791	1.2
115.05479	2.9
117.03343	1.9
117.07036	1.5
119.04938	7.2
121.02840	1.0
121.06510	7.0
121.10139	8.5
123.03577	1.9
123.04433	27.9
123.08083	1.4
123.11749	1.1
128.06259	1.1
129.06993	1.1
130.04987	2.0
131.04936	1.6
131.08571	10.1
133.02838	1.0
133.10143	84.6
135.04428	38.8
136.05194	1.2
137.02367	7.8
137.04216	9.3
137.05992	3.7
139.03909	14.5
143.04898	1.6
147.04387	3.4
149.02293	0.9
149.05989	11.2
151.03931	2.5
151.07558	6.0
151.11165	3.4
152.06221	3.2
153.01747	2.5
153.07019	14.7
157.06502	1.1
157.10139	2.4
161.05952	1.6
163.03883	9.7
163.05682	1.8
163.07533	1.7
165.07358	14.1
169.06514	1.5
170.07417	1.8
171.04405	2.6
173.13336	1.5
177.09169	0.9
181.06497	18.8
182.07359	1.1
185.06001	1.2
189.05478	2.8
189.57581	0.9
191.08842	1.3
195.08047	1.4
198.06773	3.3
199.03941	1.8
199.07562	10.4
209.06041	4.5
213.09105	10.6
215.06958	1.5
217.04892	2.4
223.07405	1.1
227.07016	5.8
237.14932	1.6
241.08578	11.1
243.06421	1.3
245.04399	2.6
245.08118	8.2
255.06566	3.2
255.10452	2.8
273.03952	4.5
273.07632	7.3
273.11417	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	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01886	0.5
55.05511	0.6
57.44823	0.3
65.03928	0.7
67.01555	0.4
67.01859	2.3
67.05499	0.7
68.99778	1.6
69.03433	1.8
69.07063	0.9
70.68962	1.0
79.05493	0.5
81.03417	0.6
81.07051	0.6
83.01350	0.4
91.05486	8.8
91.68313	0.3
93.07030	0.9
95.04975	2.2
95.08611	0.8
97.02898	1.0
105.07038	0.6
105.08865	0.4
106.31065	0.3
107.04948	2.4
107.08585	0.8
109.10176	0.9
111.00787	0.3
119.04951	17.6
119.08593	0.7
121.02847	0.4
121.06532	0.7
121.10162	0.4
123.04437	4.4
123.11703	0.3
133.06450	0.3
135.11674	0.4
145.06508	0.5
147.04420	44.2
148.04727	0.5
149.05920	0.4
149.13269	0.4
151.03911	0.8
153.01839	100.0
154.02144	0.9
159.11757	0.3
161.05971	0.4
163.07553	0.7
163.14809	0.3
171.02870	1.6
171.11621	0.4
177.96898	0.3
179.03404	0.9
181.06583	0.4
189.05513	0.8
207.06633	0.4
213.12766	0.3
231.06425	0.4
255.06526	0.5
270.05444	0.3
273.07587	61.7
273.18475	0.7
273.25705	0.7
274.08029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
63.21232	0.3
65.03935	0.7
65.97361	0.2
67.01875	2.6
67.05499	0.7
68.99789	1.6
69.03432	1.8
69.07066	0.6
69.62746	1.4
71.32937	0.3
79.05493	0.4
81.07055	1.0
83.01316	0.4
83.08623	0.4
83.15620	0.2
91.05486	7.1
93.07055	0.4
95.04989	1.7
95.08614	0.9
97.02897	0.9
98.21531	0.3
105.07044	0.6
107.04974	2.4
107.08578	0.5
109.10162	0.5
111.00842	0.4
117.07032	0.4
119.04951	17.3
119.08572	0.7
121.02910	0.3
121.06512	0.7
121.10148	0.6
123.04434	3.4
131.08533	0.4
133.10132	0.4
135.04390	0.5
135.11726	0.5
139.03893	0.3
145.06454	0.3
146.52594	0.3
147.04422	40.3
148.04727	0.3
149.13284	0.4
151.03914	1.1
153.01837	100.0
154.02167	0.8
159.11691	0.4
161.13339	0.3
163.07536	0.4
171.02969	1.8
179.03355	0.9
189.05444	1.0
189.12796	0.3
231.06757	0.5
255.06471	0.9
273.07590	59.4
273.18414	0.8
273.25839	0.5
274.07993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	2beta-5,7-Trihydroxyflavanone
Peak:m/z	Relative Intensity
53.03942	1.4
55.05513	4.7
56.96552	1.3
57.07087	3.5
64.82098	0.7
65.03935	1.2
67.01857	2.7
67.05175	0.9
67.05504	8.3
68.99788	1.9
69.03421	2.0
69.07069	11.0
71.05003	0.7
71.08638	1.3
79.05492	6.7
81.06591	1.1
81.07063	17.9
83.08619	4.2
91.05492	11.8
93.07046	13.1
95.04976	2.7
95.08613	18.6
95.60840	0.6
97.02890	1.5
97.10166	2.1
98.21604	1.1
98.97600	4.8
105.07031	10.1
107.04967	2.4
107.08601	11.8
109.06514	2.1
109.10160	10.8
111.11787	0.8
116.98573	0.8
117.06998	1.1
119.04945	18.8
119.08595	9.0
121.06525	1.5
121.10152	10.6
123.04405	3.3
123.11698	5.7
129.07014	1.4
131.08557	2.3
133.06471	1.6
133.10138	5.8
135.08018	1.2
135.11699	9.1
137.13264	3.1
141.07043	0.7
142.07758	0.9
143.08603	3.2
145.06427	1.0
145.10120	3.0
147.04417	42.9
147.11714	6.7
149.09657	1.5
149.13260	6.5
151.03941	0.6
151.14804	1.3
153.01833	100.0
154.02118	1.1
155.08583	1.4
156.09326	1.5
157.10124	2.5
158.99651	2.1
159.11754	1.5
161.09590	0.7
161.13283	4.5
163.14812	6.5
169.10158	1.7
171.02908	1.1
171.11703	3.2
173.09642	2.1
173.13214	1.0
175.11143	1.2
175.14845	2.5
177.16388	3.5
179.03384	0.9
181.10060	0.9
182.10953	1.2
183.11700	1.0
184.12492	0.9
185.13211	1.3
189.05472	1.2
189.12732	1.1
189.16368	2.6
191.17911	2.0
195.11580	1.4
197.13223	3.8
199.11108	1.2
199.14825	0.6
203.17984	2.6
211.14781	1.3
212.15584	1.0
213.12680	1.1
213.16376	2.8
217.19514	4.7
227.14252	0.8
229.16013	1.0
231.06682	0.9
237.16322	0.8
240.15192	0.8
255.06677	1.1
255.17513	5.4
273.07584	77.2
273.15308	1.2
273.18582	9.0
273.25772	24.7
274.07855	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	Butein
Peak:m/z	Relative Intensity
53.03941	1.1
55.01865	0.6
55.05517	0.6
60.60271	0.5
63.02379	0.5
65.03938	1.1
67.05498	0.9
68.99787	2.9
69.03424	0.7
69.07069	1.1
70.79890	1.1
79.05505	1.7
81.02988	0.9
81.03430	10.2
81.07066	1.2
83.04979	0.5
85.02901	0.6
85.68904	0.4
89.03923	5.3
91.05479	1.6
93.03423	1.2
93.07078	1.1
95.04987	0.5
95.08618	1.2
96.02151	1.2
105.07030	1.0
107.04951	3.2
107.08583	1.4
109.02879	1.4
109.10152	0.9
111.04439	2.9
117.03390	10.9
117.07010	0.7
119.04913	0.5
119.08568	1.3
121.10172	0.7
123.04440	2.7
123.11540	0.5
127.03918	0.8
129.07028	1.0
131.08583	1.1
133.06540	0.9
135.04431	13.5
137.02347	100.0
138.02716	0.6
139.03885	1.3
143.08513	0.5
145.02866	9.7
145.06477	0.6
145.10153	0.9
149.05956	0.5
153.07040	2.5
155.03438	1.2
157.06482	0.6
157.10153	0.8
159.08084	0.6
159.11685	0.5
163.03914	59.5
175.07529	0.5
181.06500	4.6
185.06024	0.9
187.07597	0.8
199.07530	1.4
203.06985	0.8
209.05992	2.9
213.05414	0.8
227.07048	3.8
231.06580	0.6
234.78188	0.4
237.05557	2.6
255.06555	12.4
258.05347	2.9
273.07593	76.2
273.14944	1.5
273.18530	2.1
274.07861	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01880	0.6
55.05514	0.6
57.03434	0.3
65.03962	0.5
67.01877	4.8
67.05505	0.8
68.99792	2.5
69.03424	1.3
69.07043	0.4
71.42301	0.6
71.42645	0.4
79.01853	0.3
79.05492	0.9
81.03425	0.8
81.07052	1.6
83.01353	0.7
91.05489	6.9
93.07039	0.9
95.05003	2.0
95.08608	1.2
97.02926	1.8
98.97576	0.6
105.07032	0.7
107.04962	2.6
107.08611	0.5
110.97560	0.4
111.00817	0.7
117.03393	0.6
117.07020	0.7
119.04949	13.8
119.08595	0.6
121.02851	0.6
121.06507	0.9
121.10139	0.9
123.04427	3.2
127.03862	0.5
129.01823	0.4
131.08601	0.5
135.04410	1.2
135.11760	0.4
137.02344	3.8
145.02832	0.6
147.04420	34.8
149.13303	0.5
151.03885	0.8
153.01837	100.0
154.02155	1.1
163.03963	2.8
171.02917	7.2
171.04330	0.3
179.03409	1.2
181.06551	0.8
189.05467	1.4
199.04944	0.3
231.06548	1.0
255.06516	1.3
273.07593	67.2
273.18567	0.9
274.08002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(2R,3S)-2,4',7-trihydroxyisoflavanone
Peak:m/z	Relative Intensity
53.03940	2.3
55.01861	4.1
55.05497	1.4
58.45646	1.1
58.99590	1.2
62.25426	1.1
65.03943	5.9
67.05493	3.3
68.91045	1.2
68.99786	2.2
71.10838	1.9
72.82373	1.0
72.99414	1.0
79.05481	4.2
81.03413	8.6
81.07056	1.8
83.05000	1.3
84.04504	1.5
85.02863	1.1
91.05478	5.0
93.03408	8.6
93.07053	2.5
95.04974	10.1
95.08609	1.3
97.06506	1.2
105.03368	3.0
105.07028	4.3
107.04959	62.5
107.08603	1.4
109.02834	1.6
111.04442	17.3
119.04929	6.6
121.02889	2.0
123.04436	39.1
123.08052	1.2
128.06218	3.3
129.07022	1.8
131.04944	1.6
131.08560	1.2
133.10106	3.0
135.04417	64.2
136.05209	3.0
137.02342	95.6
139.03905	24.4
143.08536	1.3
147.04422	2.5
147.08098	1.3
149.05956	2.0
151.03920	6.0
151.11147	1.5
152.06233	1.6
153.01909	1.2
153.07014	6.1
157.06477	2.1
161.02394	1.5
161.06081	1.2
163.03918	9.3
165.07077	1.5
169.06483	1.8
171.08022	1.8
173.50389	1.1
179.03423	7.8
181.06499	17.9
185.05887	2.2
187.08655	2.6
197.06010	1.9
198.06798	2.7
199.07545	100.0
200.07835	1.2
209.05943	1.8
211.07750	1.2
213.05507	1.3
215.07016	2.3
217.01376	2.1
227.07031	44.9
229.09807	3.1
231.06587	2.0
245.08090	11.2
253.83047	1.1
255.06538	16.0
273.00357	2.6
273.07614	15.2
273.12042	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	273.0758
Annotation	75514-30-6
Peak:m/z	Relative Intensity
53.03934	1.3
55.01867	0.6
65.03944	8.4
67.05504	1.5
68.99789	2.7
69.03450	0.6
70.97258	1.2
71.01343	0.6
77.03931	1.1
79.05510	2.9
81.03427	1.1
81.07076	1.1
83.04971	1.1
89.03919	3.4
91.05496	1.3
93.03410	17.2
95.04967	2.6
100.31331	0.6
105.03375	1.4
105.07005	0.8
107.04959	26.2
109.02907	0.9
111.00837	0.8
111.04447	27.6
111.05220	1.4
117.03383	1.9
119.04963	2.7
121.02847	0.9
121.06527	0.7
123.04435	49.2
129.06989	1.1
130.07138	0.6
131.08551	0.6
133.02879	1.8
133.10104	0.7
134.03677	1.1
135.04424	100.0
136.05182	2.6
137.02347	6.0
137.05962	1.8
139.03911	37.0
145.06468	0.8
147.04414	2.3
149.05919	0.9
151.03908	1.7
152.06291	1.2
153.01820	0.6
153.06999	2.6
161.02351	2.8
161.05981	2.0
163.03896	17.3
169.06476	1.0
170.06302	0.7
171.08025	1.2
181.06458	5.6
189.01819	1.9
189.05563	0.8
197.06020	1.8
199.07581	9.2
201.01747	0.9
209.06020	2.3
213.05498	1.3
213.09300	0.6
215.07132	2.5
217.01381	2.2
227.07065	5.4
237.05717	0.8
243.06573	2.0
245.00902	2.7
245.08092	17.1
255.06544	7.6
273.00293	5.6
273.07602	14.4
273.12021	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	75514-30-6
Peak:m/z	Relative Intensity
50.03275	0.6
58.23635	0.6
61.02922	0.6
65.03940	7.4
68.99811	0.7
69.03438	1.1
69.69801	1.4
69.70210	2.1
78.38911	0.6
79.05486	1.6
81.03415	1.2
85.02912	1.4
89.03909	2.9
91.05491	1.9
93.03407	17.9
95.04967	1.7
97.02952	0.9
98.97586	1.5
105.03374	0.9
107.04957	30.6
109.02885	1.9
110.06049	3.2
111.04445	29.8
111.06347	3.1
117.03352	3.1
118.52173	0.5
119.04945	1.3
123.04434	28.9
127.03879	0.6
134.03606	0.7
135.04420	100.0
136.05247	4.3
137.02383	4.7
137.05992	0.7
139.03905	40.8
139.32613	0.6
153.01788	1.5
153.07082	2.7
157.06540	0.8
162.55081	0.6
163.03920	13.3
171.08031	0.8
181.06471	6.1
197.05991	0.9
199.07533	5.8
209.05856	1.1
215.07069	2.3
227.07048	3.4
243.06654	2.0
245.04411	0.9
245.05324	0.9
245.08099	17.9
255.06502	5.1
263.65631	0.8
273.07559	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	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04671	0.4
56.96561	0.4
57.40411	0.3
62.51036	0.3
65.03947	0.5
67.01868	2.8
68.99796	1.1
69.03435	1.5
69.43767	2.3
69.44171	0.5
71.24398	0.4
71.51269	0.3
72.18855	0.3
79.05482	0.4
83.01344	0.6
85.85696	0.3
87.61257	0.3
91.05484	6.9
95.04965	2.3
97.02905	1.2
98.21475	0.5
107.04936	1.9
111.00828	0.7
111.04446	0.4
115.80891	0.3
119.04950	15.7
121.06516	0.8
123.04452	4.1
136.47487	0.4
137.02376	0.5
147.04420	40.0
148.04776	0.4
151.03912	0.7
153.01837	100.0
154.02151	1.1
157.43373	0.4
171.02893	2.3
179.03374	0.8
189.05409	0.7
219.97182	0.3
231.06601	0.5
234.84843	0.4
255.06622	0.6
270.69620	0.4
273.07590	72.7
274.07935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.5
65.03954	0.4
67.01868	2.5
67.05512	0.7
68.78014	0.3
68.99795	1.9
69.03437	2.5
69.07054	0.3
71.12617	0.9
71.16941	0.3
81.03416	0.5
81.07047	0.7
83.01363	0.4
85.02930	0.4
85.06587	0.3
91.05490	7.2
93.07053	0.5
95.04974	2.1
97.02901	1.5
105.07062	0.8
107.04967	2.7
111.00831	0.7
111.04469	0.5
119.04957	16.6
121.02879	0.5
121.06492	0.9
123.04440	3.7
124.45336	0.4
129.06975	0.3
130.06532	0.9
130.64728	0.3
132.08102	1.1
137.05925	0.3
142.06549	0.5
147.04424	43.5
151.03894	0.8
153.01840	100.0
154.02155	1.2
159.09207	3.1
160.07596	0.6
169.07578	0.7
170.06032	1.8
171.02975	2.4
175.19882	0.4
176.63527	0.3
179.03369	0.7
181.06316	0.5
184.07475	0.5
185.07121	1.3
187.08730	0.8
189.05501	0.9
200.07098	0.6
201.10283	0.3
227.08182	1.7
231.06583	0.7
245.09268	2.4
255.07030	0.4
273.07587	69.3
274.07947	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	75514-30-6
Peak:m/z	Relative Intensity
53.03944	1.2
55.01883	0.8
55.05502	0.8
65.03944	8.5
67.05509	1.9
68.99793	1.3
70.81472	1.6
77.03931	1.4
79.05505	2.6
81.03413	1.2
81.07043	0.9
83.02341	0.7
83.04971	0.7
84.08136	0.9
89.00640	0.8
89.03919	3.0
91.05486	2.8
93.03406	14.1
93.07067	1.1
93.58525	0.7
95.04966	2.8
97.06529	0.7
105.03430	0.9
105.07064	3.9
107.04967	29.7
107.08605	0.6
109.02873	1.2
111.04455	24.6
115.05473	1.5
117.03396	1.9
119.04949	2.0
121.02877	0.9
123.04436	41.8
126.90590	0.6
129.06964	1.0
129.41696	0.8
131.04913	1.0
133.10121	3.9
135.04424	100.0
136.05196	3.2
137.02368	7.6
137.05946	1.7
139.02818	1.8
139.03906	34.0
141.07016	0.8
143.05029	0.7
147.04422	1.9
151.03923	1.4
152.06284	1.2
153.06964	3.4
157.06494	1.8
161.05952	1.6
163.03923	28.8
169.06532	1.4
171.04459	1.6
171.08070	1.2
171.87828	0.7
181.06458	6.9
185.06059	0.9
189.05478	1.5
197.05986	1.9
199.03944	1.1
199.07568	8.3
203.03297	1.2
209.06007	2.2
213.05486	1.1
215.07028	2.2
215.97823	0.7
217.04970	2.6
225.05684	0.7
227.07065	4.6
231.02892	1.5
237.05405	1.4
243.06645	2.2
245.04506	4.6
245.08115	14.1
248.46379	0.7
250.90114	0.7
255.06546	8.7
257.21820	0.7
273.04520	1.1
273.07651	10.4
273.10837	1.0
273.11734	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.113
Annotation	(S)-Tetraphyllin A
Peak:m/z	Relative Intensity
52.46194	0.8
53.03923	1.0
56.96563	2.1
57.03432	2.4
61.02932	5.6
65.03946	3.1
69.03433	5.9
70.06596	2.3
70.67180	1.9
70.67512	1.5
71.05035	0.8
72.08136	1.2
73.02905	2.5
79.05479	1.9
81.03402	3.3
84.04494	1.3
85.02444	1.5
85.02913	20.3
87.04439	1.5
91.03954	1.5
92.05004	6.1
93.03419	5.0
95.04980	1.2
97.02907	7.4
98.21416	1.1
98.97575	1.9
99.04427	1.5
103.03913	2.6
106.06555	13.5
107.04951	3.7
108.04501	1.2
109.02863	1.6
109.05290	6.3
110.06047	100.0
110.07228	3.0
111.04479	4.3
118.06605	1.1
120.04469	2.9
122.06027	11.3
123.04428	2.1
127.03901	3.7
131.04845	0.9
134.06020	29.5
135.04437	9.7
136.07524	1.1
139.03896	2.4
145.04941	2.7
146.06029	4.7
148.07526	1.9
152.07082	10.8
163.03928	2.3
164.07071	2.4
172.07594	1.0
176.07047	4.8
218.08109	1.1
225.99487	0.9
236.09100	3.8
245.08076	1.9
254.10182	6.4
272.11243	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	271.0966
Annotation	Amoenumin
Peak:m/z	Relative Intensity
53.03939	1.6
53.13814	0.7
55.01864	6.6
55.05506	1.9
57.07082	0.9
65.03937	2.3
67.05506	2.8
68.99799	2.9
69.03436	1.7
70.06591	1.9
71.01363	0.9
71.04982	2.6
71.50518	1.2
79.05495	3.2
81.03422	1.8
81.07077	6.0
83.04996	2.0
83.08607	1.2
85.02914	1.2
85.06538	1.2
86.09690	0.8
89.03927	1.8
91.05493	18.7
93.07056	2.3
95.04961	4.4
95.08610	2.2
97.02931	1.6
97.06568	1.3
98.09698	1.7
99.04431	1.1
99.08093	1.4
101.02357	0.8
103.05446	1.5
105.03381	0.8
105.07047	3.2
107.04952	6.3
107.08598	1.8
109.02921	1.8
109.06550	2.3
109.10155	1.2
111.04446	2.5
115.05480	4.8
117.03407	0.9
117.07049	1.0
118.04182	2.1
119.04946	12.8
119.08574	1.9
121.02874	3.1
121.06509	5.7
121.10152	2.5
123.04433	3.5
123.08091	1.1
124.05241	1.1
125.05986	0.7
125.45681	0.7
127.03926	1.2
128.06238	2.5
129.07039	4.2
131.04910	1.4
131.08562	0.9
133.06523	1.4
133.10149	1.8
134.03683	1.6
135.04460	1.1
135.08080	1.1
135.11676	0.9
137.06001	7.5
137.09604	0.9
139.07579	0.9
140.06221	1.1
141.07005	11.2
143.08554	1.4
144.05724	1.2
145.06479	1.7
145.10135	1.6
147.04494	1.7
147.08090	1.7
149.02364	16.4
149.05974	3.1
150.06778	1.6
151.07547	1.4
151.86664	0.8
152.06241	10.6
153.01845	4.7
153.07011	35.4
154.07799	5.2
155.04965	2.0
155.06082	0.9
155.08575	19.7
157.06474	6.2
157.10208	1.0
159.04453	1.3
159.11670	0.9
165.07021	83.8
166.07658	1.4
167.08595	1.9
168.05722	13.2
169.06502	9.0
170.07297	2.7
171.04572	1.0
171.08049	1.6
171.11703	0.9
173.06015	2.6
173.09653	1.0
174.06892	0.9
179.04875	1.2
179.08575	1.4
180.05780	1.1
181.06491	20.8
182.07288	6.7
183.08075	39.9
185.05945	7.0
187.07552	1.7
189.12755	0.8
193.06325	13.3
193.10231	1.1
194.07304	2.1
195.08031	1.8
196.05232	10.6
197.06020	10.2
197.09660	1.2
198.06747	2.8
198.15039	3.5
199.07549	3.5
200.08429	4.8
201.05461	1.4
207.04393	3.9
209.06047	2.2
210.06703	4.6
211.07558	43.8
212.08292	5.4
213.05528	2.5
213.09047	1.8
215.07054	17.0
215.10394	0.8
221.05992	13.9
225.05519	1.4
225.09175	4.1
226.14336	4.3
227.07092	2.4
228.07874	5.3
229.04999	1.3
239.07037	8.9
240.07771	1.2
241.08614	1.2
242.09412	5.1
243.06566	14.4
243.10175	3.7
253.05029	1.6
253.08679	1.6
256.07224	2.1
271.06110	20.0
271.09686	100.0
271.17038	3.4
272.09824	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0604
Annotation	Thunberginol A
Peak:m/z	Relative Intensity
53.03941	0.6
55.01871	0.7
55.05511	0.6
57.03442	0.3
65.03928	0.6
67.05493	1.4
68.99785	0.9
69.07054	1.2
70.64729	0.7
71.59389	0.4
77.03934	0.6
79.05487	1.5
81.03428	2.8
81.07070	2.2
83.08598	0.9
85.02930	0.3
89.03921	1.6
91.05485	0.9
93.07041	1.2
93.17150	0.3
93.69949	0.3
95.04984	0.5
95.08607	2.0
96.37086	0.4
98.97535	0.5
105.03396	4.2
105.07018	1.3
107.04948	1.3
107.08567	0.9
109.02857	0.6
109.10159	1.6
109.54873	0.3
115.05459	1.3
117.03399	0.6
117.07014	0.8
119.08608	1.0
121.02882	1.5
121.06501	0.4
121.10150	1.4
122.02996	0.3
123.11709	0.7
129.07001	0.4
131.04996	0.4
131.08580	1.3
133.02821	1.1
133.10164	1.2
134.03723	0.5
135.04401	1.4
135.11684	0.7
137.02347	37.1
141.07007	5.8
144.05727	0.6
145.06488	1.2
145.10114	0.9
147.04428	1.2
147.11673	1.1
149.02357	1.6
149.13268	0.7
152.06258	0.7
153.07021	1.2
155.04893	0.6
159.08066	1.0
159.11682	1.1
161.02374	5.0
161.09654	0.4
161.13266	0.8
161.16002	0.3
163.03908	0.6
163.14928	0.4
165.07048	0.7
168.05795	0.4
169.06503	5.7
169.07817	0.6
173.06010	1.2
173.13289	0.8
175.03856	1.2
175.14790	0.4
181.06473	2.8
183.04410	1.2
183.08066	0.4
187.07579	2.9
189.16440	0.5
190.13609	0.3
197.05989	10.8
200.04689	1.1
201.05472	3.0
201.16418	0.7
211.07686	0.5
213.05489	0.7
215.07039	16.4
215.17949	0.9
216.95424	0.4
224.04750	0.7
225.05479	19.3
243.06499	3.4
253.04971	6.2
271.06033	100.0
271.24191	4.0
272.06363	1.8
272.77533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0604
Annotation	6-Hydroxyrubiadin
Peak:m/z	Relative Intensity
53.03920	0.4
55.01880	1.9
55.05508	1.2
57.03426	0.6
57.07072	0.6
65.03947	3.3
67.01892	0.4
67.05502	1.9
68.99798	6.3
69.03424	1.2
69.07071	1.1
71.05001	0.6
71.51312	0.6
79.05495	2.2
81.03432	1.0
81.07063	2.3
83.04996	0.6
83.08646	0.7
85.02899	0.8
85.06567	0.6
91.05481	4.8
93.07055	1.8
95.04978	1.0
95.08604	1.8
96.78920	0.5
97.02904	0.6
97.06520	0.9
103.05470	1.0
105.07036	1.5
107.04957	7.5
107.08598	1.1
109.02872	0.6
109.06545	0.7
109.10176	0.8
111.04459	0.9
115.05482	2.0
117.07030	1.1
119.04962	6.1
119.08579	1.5
121.02876	18.7
121.06521	0.8
121.10153	0.7
123.04440	0.6
123.08068	0.7
128.06241	1.3
129.07066	1.1
131.04959	2.5
131.08589	2.4
133.02869	1.3
133.06567	0.8
133.10165	0.7
135.04376	0.8
135.11736	1.1
137.02295	0.5
139.07520	0.6
141.06995	9.8
144.05728	1.2
145.06491	2.5
147.04404	3.1
147.08037	2.5
149.02357	100.0
152.06203	0.7
153.01855	9.9
153.07014	2.4
155.08484	0.5
157.06506	1.3
157.10205	0.5
159.04459	1.5
159.08105	1.8
165.07024	3.7
167.03432	1.3
168.05681	0.9
169.06506	10.0
169.07829	0.9
170.07188	0.6
172.05193	0.5
173.05989	2.7
181.06526	2.4
181.10103	0.9
181.42621	0.4
182.07257	0.6
183.08081	2.2
185.05925	1.3
185.09630	1.1
187.03873	0.7
187.07591	2.8
196.08815	0.9
197.05995	12.9
198.06706	0.7
199.07626	0.5
200.04666	0.6
201.05518	1.1
207.11806	0.6
209.06044	0.5
209.09697	1.2
211.07571	1.6
211.11279	0.6
213.05515	1.3
215.07048	90.7
216.01849	0.4
216.07364	1.2
221.05963	0.8
225.05415	2.4
225.09114	1.1
225.12744	2.8
239.07010	0.7
239.09158	0.7
242.05807	3.4
243.06554	43.5
253.04956	0.8
253.12328	0.7
271.06042	25.3
271.09726	3.6
271.13919	1.3
271.16962	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	6-Hydroxyrubiadin
Peak:m/z	Relative Intensity
52.56198	0.7
55.01872	1.4
55.05499	0.9
57.23902	0.7
65.03923	3.3
67.01864	1.6
67.05499	1.0
68.99493	0.8
68.99798	6.9
69.87231	3.6
80.92971	0.8
81.03423	1.3
81.07053	1.8
87.58244	0.8
91.05486	10.0
93.07037	1.1
93.10303	0.7
95.01294	1.0
95.04961	1.0
95.08569	0.8
98.20842	1.1
101.75388	0.8
107.04939	5.0
107.08596	0.7
108.24815	0.7
109.02893	0.9
111.00797	1.0
115.05425	2.2
117.07034	0.8
119.04942	6.2
119.08561	1.0
121.02880	16.5
131.04901	3.2
131.08582	1.5
131.50208	0.7
133.02896	1.0
133.06534	0.8
137.02274	0.7
141.07002	10.2
144.05713	1.1
145.02864	2.2
145.06474	2.8
147.04416	3.2
147.08047	1.8
149.02350	89.2
151.11208	1.4
152.06215	1.6
153.01836	19.6
153.07004	3.0
157.06476	2.1
159.04459	3.7
159.08012	3.1
165.06995	1.5
167.03412	1.5
169.06491	11.1
173.05994	1.7
181.06512	3.2
183.04523	1.0
183.08128	0.8
185.06003	1.0
187.03929	3.4
187.07552	3.0
197.05983	14.0
198.06793	0.8
199.07558	1.1
201.05495	1.2
211.07494	1.0
213.05511	1.2
215.07036	100.0
216.07379	1.3
225.05510	3.4
227.07054	0.9
243.06540	77.1
253.04875	4.6
271.06030	67.5
271.09186	1.9
272.06436	1.1
291.97665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.03952	0.2
53.06776	0.1
55.05516	0.8
57.03425	0.2
57.78493	0.1
59.16647	0.2
65.03934	0.2
65.75454	0.1
67.01874	1.4
67.05505	0.9
68.99792	1.1
69.07065	0.7
69.11618	0.2
70.45926	0.5
77.86967	0.2
79.05502	0.6
80.30566	0.1
81.03438	0.2
81.07062	1.6
83.04989	0.3
83.08623	0.2
85.06532	0.2
91.05482	2.5
93.07040	0.5
95.04953	0.3
95.08607	1.4
97.06530	0.3
97.10162	0.2
99.08103	0.2
105.07024	0.6
107.08582	0.5
109.06514	0.2
109.10181	0.9
111.00878	0.2
119.04955	5.2
119.08595	0.7
121.02882	1.5
121.10113	0.3
123.11729	0.3
129.01855	0.2
131.04945	0.3
131.08594	0.3
131.64140	0.2
133.10121	0.7
134.26454	0.2
135.11691	0.2
141.06970	0.2
145.02812	1.7
145.06511	0.2
145.10101	0.4
147.11745	0.2
149.13268	0.2
151.11208	0.2
153.01842	11.7
159.11678	0.5
161.13258	0.5
163.03928	0.8
165.07010	0.3
169.06529	0.4
171.02869	0.7
175.14821	0.2
186.52342	0.1
187.03835	0.3
197.06004	0.4
197.13266	0.2
201.16513	0.2
203.07135	0.3
212.11124	0.1
215.07083	0.2
217.19434	0.2
225.05486	0.5
229.04942	0.5
243.06532	1.1
247.05969	0.3
253.05074	0.2
255.11371	0.2
257.43835	0.2
271.06024	100.0
271.24246	0.9
272.06369	1.5
287.13416	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	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.05492	0.2
65.03922	0.2
65.19485	0.1
66.80450	0.1
67.01871	1.4
67.05502	0.2
68.99784	1.1
69.03400	0.2
69.07076	0.2
69.48184	1.1
69.53051	0.1
81.03429	0.3
81.07053	0.3
83.08620	0.2
91.05492	1.7
93.07026	0.2
95.04939	0.2
95.08572	0.3
105.07018	0.2
109.10163	0.3
119.04953	5.1
119.08581	0.2
121.02859	1.6
129.01872	0.2
135.04384	0.2
141.06944	0.2
145.02863	1.3
145.06438	0.2
149.02312	0.4
153.01834	10.8
155.04814	0.1
159.48334	0.1
163.03888	0.9
165.07019	0.5
168.05727	0.2
169.06447	0.4
171.02875	0.5
180.06975	0.1
183.08035	0.3
187.03870	0.2
190.57568	0.2
197.03902	0.1
197.05972	0.4
211.07503	0.2
215.07060	0.5
225.05504	0.6
229.04990	0.5
243.06549	0.7
253.04924	0.3
271.06021	100.0
272.06314	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0604
Annotation	6-Hydroxyrubiadin
Peak:m/z	Relative Intensity
55.01870	1.7
55.05521	0.8
55.19881	0.5
57.37602	0.4
63.57068	0.5
65.03952	3.6
67.01866	1.1
67.05500	1.0
68.99797	9.0
69.03442	1.2
70.06591	0.8
71.04980	0.7
79.05499	1.2
81.03417	1.1
81.07053	1.3
85.02865	0.6
89.03930	0.6
91.05492	10.5
93.03419	0.8
93.07044	1.4
95.01335	1.2
95.04960	1.1
95.08604	0.7
97.02872	0.7
97.06548	1.2
105.03429	0.5
105.07079	0.7
107.04971	7.2
107.08578	0.9
109.02911	0.7
111.00840	1.1
111.04432	0.7
115.05479	1.9
117.07021	1.4
119.04957	5.0
119.08581	1.4
121.02874	17.9
121.06472	0.9
121.10153	0.7
125.05945	0.6
128.06230	1.8
129.07013	1.5
131.04977	3.3
131.08571	2.1
133.02841	0.9
133.06435	0.7
133.10153	0.7
135.04433	0.6
137.05951	0.7
141.06993	9.9
143.08563	0.7
144.05670	0.7
145.02858	1.7
145.06487	2.8
147.04424	3.6
147.08099	3.1
149.02357	92.9
149.09653	0.6
150.02982	0.6
152.06255	1.7
153.01848	18.0
153.07034	3.0
155.04942	0.8
155.06087	1.2
155.08597	1.1
157.06497	2.5
159.04460	2.2
159.08061	1.7
165.01831	0.8
165.07054	4.2
167.03448	1.0
168.05717	1.4
169.06500	10.4
169.07800	0.6
173.06004	4.1
181.06490	3.6
182.07272	0.9
183.04419	1.2
183.08072	1.9
185.06029	1.7
187.03938	2.1
187.07529	2.9
196.05147	0.7
197.06007	14.5
199.07445	1.0
200.04665	1.2
201.05463	2.8
210.06644	0.5
211.07527	3.1
213.05493	1.2
215.07047	100.0
216.07420	1.3
225.05438	3.7
225.09052	0.6
227.07021	1.3
229.04977	2.1
235.13338	0.7
239.07137	0.6
242.05797	1.2
243.06552	66.3
244.06906	0.7
253.04961	3.5
271.06042	62.2
271.09570	5.0
271.17010	1.1
272.06418	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	Apigenin
Peak:m/z	Relative Intensity
55.05512	0.1
60.54193	0.1
65.03951	0.2
67.01536	0.1
67.01870	1.7
67.05506	0.2
68.99792	1.2
69.03437	0.1
69.07054	0.1
69.83179	0.1
69.83594	0.2
74.57176	0.1
81.03420	0.1
81.07047	0.2
91.05491	1.8
95.04967	0.1
95.08603	0.2
98.20810	0.1
105.06969	0.1
107.08628	0.1
109.02790	0.1
111.00824	0.2
111.08078	0.1
119.04951	5.3
121.02878	1.9
121.03719	0.1
125.02357	0.1
127.03878	0.1
129.01845	0.2
131.04913	0.1
135.00755	0.1
135.08051	0.1
137.02417	0.2
141.06966	0.3
142.80757	0.1
145.02841	1.4
145.06476	0.1
149.02354	0.1
153.01834	12.3
155.04799	0.1
157.06528	0.2
163.03918	1.1
165.06950	0.1
169.06493	0.3
171.02896	0.6
173.05956	0.1
181.06552	0.1
187.03966	0.3
197.05968	0.3
201.05518	0.1
203.07083	0.2
211.03963	0.1
215.07013	0.1
225.05423	0.7
229.04958	0.6
235.03745	0.1
243.06496	0.8
247.06044	0.2
253.05014	0.1
254.05682	0.1
270.05026	0.1
271.06015	100.0
272.06351	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.4
55.01884	2.6
55.05516	21.8
57.03445	10.7
57.07077	3.9
65.03930	1.7
66.71322	1.1
67.05508	72.5
69.03440	1.8
69.07069	27.5
69.98129	4.5
71.04990	13.5
71.05322	1.1
79.05497	37.8
81.03439	2.0
81.07063	100.0
83.04984	7.9
83.08624	16.1
85.02918	1.6
85.06535	7.0
87.04459	1.5
91.05486	32.1
93.07049	57.0
95.05003	4.6
95.08614	69.6
97.06537	10.7
97.10161	8.6
99.04463	1.5
99.08124	3.7
105.07040	23.7
105.07689	1.6
107.05005	1.1
107.08601	36.6
107.09298	2.0
109.02942	1.4
109.06544	4.8
109.10162	35.5
111.08102	7.7
111.11763	2.6
117.07013	10.2
119.08591	18.6
121.06533	5.8
121.10148	28.2
123.08122	3.7
123.11717	13.6
124.69300	1.0
125.09664	1.2
128.06255	1.6
129.07071	4.3
131.04944	1.1
131.08574	20.1
131.09514	1.5
133.10139	25.2
133.11061	1.3
135.08055	6.6
135.11694	19.2
137.09663	5.7
137.13319	3.7
139.07562	2.6
139.11272	1.7
141.07079	1.2
141.09171	1.6
142.07858	2.1
143.08563	8.5
144.09416	1.6
145.10139	15.0
147.11691	11.1
149.09686	4.0
149.13272	20.2
151.11205	8.4
153.09152	3.7
155.10690	1.4
156.09299	1.7
157.10133	11.2
159.08162	1.2
159.11705	25.0
161.13283	5.4
163.11189	2.5
163.14934	1.7
165.12874	1.4
167.08531	1.2
167.10733	2.2
169.10242	1.4
169.12289	1.6
171.11694	9.5
173.09814	1.0
173.13290	12.0
175.14948	3.4
177.12753	7.0
177.16290	1.4
181.12294	1.6
183.11813	1.1
185.13269	8.0
187.14761	5.1
189.16403	2.4
191.18091	3.9
195.10248	1.3
195.12108	1.7
195.13811	7.2
197.13368	1.6
199.14861	9.3
200.15659	1.1
201.16425	1.5
211.14870	1.2
213.16403	12.2
215.17963	15.2
226.17325	1.2
227.17967	5.3
233.19009	7.2
238.09639	1.3
251.20096	9.8
269.04553	1.2
269.08237	2.3
269.13013	1.9
269.17676	17.8
269.22791	50.7
271.15396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02396	1.7
53.03944	3.8
55.01868	3.9
55.05513	21.6
57.03441	36.9
57.07081	2.9
65.03944	2.4
67.05507	75.3
69.07067	33.4
71.04980	5.1
71.11634	2.9
79.05493	48.4
81.03412	3.1
81.07060	100.0
83.04970	10.4
83.08615	19.3
85.06532	6.0
91.05476	21.6
93.07047	75.7
95.04977	7.4
95.08610	24.7
97.06532	12.6
97.10154	2.5
97.53932	1.9
99.08075	4.8
105.07014	6.2
107.08591	36.7
109.06551	2.7
109.10154	4.9
111.08105	10.7
113.09625	2.3
115.18108	1.7
117.07042	9.0
119.08575	2.0
121.06506	2.1
121.10146	23.1
123.11731	3.0
125.35450	1.6
131.08559	9.2
133.10181	11.3
135.11711	7.3
139.11261	2.2
141.72864	2.0
147.11693	3.6
149.13261	54.6
151.11163	2.2
159.11710	22.1
177.12671	8.0
195.13818	13.8
196.72766	1.9
197.78554	1.7
201.10648	2.0
202.64847	2.0
205.63629	2.0
215.45053	1.9
269.17477	40.7
269.22464	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03935	2.9
54.79788	1.2
55.01865	3.8
55.05277	1.4
55.05515	21.5
57.03440	34.3
57.07062	4.7
60.01732	1.5
60.52266	1.3
65.03937	2.2
67.05508	75.7
68.12122	1.3
69.03415	2.1
69.07071	31.7
70.14056	1.3
71.04984	6.0
71.08611	1.5
73.90742	1.3
76.98514	1.3
79.05495	45.6
81.03410	4.4
81.07059	100.0
83.04979	11.5
83.08611	20.9
85.06562	6.5
91.05482	23.3
93.07046	67.0
93.07587	1.7
95.04948	6.4
95.08613	31.0
97.06521	16.3
97.10177	3.1
99.08089	3.9
105.04481	1.4
105.06363	2.1
105.07019	12.5
107.08598	42.2
109.06516	3.2
109.10165	7.8
111.08079	8.6
111.11726	2.0
113.06008	1.3
117.07011	10.4
119.08566	5.5
121.06493	2.2
121.10138	29.6
123.11691	3.8
131.08574	14.7
133.10127	10.9
135.08044	3.3
135.11711	12.3
139.07529	2.1
139.11188	2.9
143.08574	3.6
145.10115	4.2
147.11684	4.3
149.09740	1.4
149.13269	48.0
157.10101	4.8
159.11703	25.0
161.13258	2.4
165.01820	1.5
171.11748	3.3
173.13298	2.4
175.14839	2.0
177.12759	10.1
179.70316	1.3
185.13239	2.4
187.14861	2.1
195.12100	1.6
195.13824	11.3
199.14772	3.6
213.16405	4.2
219.93159	1.4
269.17487	40.8
269.22540	17.8
283.83865	1.3
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	Arteincultone
Peak:m/z	Relative Intensity
53.03930	3.3
55.01871	5.1
55.05513	20.7
55.95189	0.7
57.03439	37.5
57.07076	4.7
65.03922	2.4
67.05505	77.7
69.03419	1.4
69.07069	32.8
69.48711	6.1
71.01348	1.0
71.04999	7.2
71.08625	1.4
77.03923	1.2
79.05495	49.3
81.03412	2.1
81.07056	100.0
83.04985	9.8
83.08616	19.8
85.06557	6.2
91.05482	23.7
93.07043	73.0
95.04959	7.0
95.08604	26.1
97.06533	14.2
97.10146	2.3
99.08098	4.6
105.04477	0.7
105.07036	9.1
107.04918	0.8
107.08595	38.7
109.06507	3.1
109.10140	4.5
109.60713	0.7
111.08078	8.1
111.11745	1.2
113.06032	1.3
113.09615	1.4
117.07014	9.6
119.08565	3.4
121.06493	1.7
121.10141	25.2
123.11700	2.5
125.09600	1.4
131.08577	9.5
133.10139	9.0
135.08046	2.6
135.11690	10.2
139.11151	2.7
143.08614	1.0
145.10117	1.1
147.11642	2.1
149.09671	1.1
149.13260	52.5
151.11186	1.4
153.09143	0.9
157.10114	1.2
159.11688	22.9
161.13257	1.2
167.14301	1.9
169.10150	0.7
171.11656	1.7
177.12762	9.3
195.13805	13.4
240.56786	0.9
269.17490	40.3
269.22147	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	269.175
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.02368	1.7
53.03934	4.3
55.01865	3.4
55.05271	2.1
55.05514	23.2
57.03441	35.0
57.07064	4.8
65.03934	4.0
67.05509	77.3
69.07070	32.5
70.04578	4.0
71.05008	8.0
73.02924	1.4
73.17727	1.2
79.05498	54.0
81.03407	3.2
81.07063	100.0
81.77956	1.3
83.04993	10.5
83.08627	18.2
85.06535	5.8
91.05493	26.4
93.07050	73.9
95.04992	6.6
95.08614	30.2
95.09549	1.2
97.06533	16.4
97.10162	2.9
98.21457	1.2
99.04420	1.6
99.08082	4.7
99.16396	1.2
103.99405	1.3
105.04478	1.5
105.07043	10.8
107.04958	2.3
107.08601	43.2
109.06518	4.1
109.10152	5.6
111.08094	9.4
111.11740	1.5
113.09614	2.5
115.05476	1.5
117.07043	9.6
119.08589	4.2
121.06520	1.3
121.10145	24.1
123.11665	3.6
125.09687	1.5
129.07031	1.5
131.08574	11.8
133.10135	9.6
135.08076	3.2
135.11690	10.5
139.11185	2.3
142.10007	1.3
147.11705	3.1
149.09546	1.4
149.13266	49.5
157.10159	2.2
159.11705	20.8
177.12753	9.1
193.31706	1.3
195.13812	12.7
239.62036	1.2
269.17447	38.8
269.22757	3.9
281.36148	1.3
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	Arteincultone
Peak:m/z	Relative Intensity
53.03932	4.5
55.01863	2.5
55.05518	18.2
57.03440	39.0
57.07059	4.5
57.90393	1.1
58.65472	1.3
65.03924	1.8
67.05506	74.5
69.07073	30.3
71.01337	1.7
71.04990	7.7
71.08621	1.2
77.03901	1.3
79.05498	44.5
79.58794	1.3
81.03407	2.8
81.07057	100.0
82.18897	1.1
83.04996	9.6
83.08618	18.7
85.06537	5.0
91.05480	22.3
93.07049	73.6
95.04954	6.8
95.08062	2.1
95.08611	28.9
97.06535	15.6
97.10166	3.2
99.04437	1.6
99.08072	2.8
105.07037	9.7
107.08602	40.9
109.06508	3.0
109.10149	3.7
111.08086	9.5
111.11712	1.3
117.07030	9.6
118.90872	1.3
119.08560	2.0
121.06481	1.8
121.09328	2.3
121.10137	26.2
123.11697	3.5
125.09660	1.8
127.07552	1.2
131.08569	11.4
133.10130	7.7
133.10957	1.4
135.08040	2.4
135.11699	8.9
139.11191	2.7
149.13263	49.0
159.11685	21.0
167.14262	1.9
177.12720	8.6
181.98012	1.2
195.13812	13.4
269.17477	41.4
291.16629	1.3
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	Trichotriol
Peak:m/z	Relative Intensity
52.24826	1.2
53.03956	5.8
55.01862	3.8
55.05514	21.2
57.03439	34.9
57.07065	4.2
65.03929	2.2
67.05507	81.3
69.06734	1.8
69.07075	25.1
71.04994	7.2
79.05495	47.9
81.03423	3.4
81.07060	100.0
83.04990	10.8
83.08621	16.6
85.06535	4.9
91.05485	29.1
93.07047	73.9
95.04973	5.9
95.08612	26.9
97.06551	16.5
97.10161	2.4
99.08109	4.6
102.08771	1.3
105.07047	10.5
107.08604	37.4
109.06496	3.3
109.10139	3.4
111.08099	10.6
113.06017	1.3
117.07033	10.1
119.08569	3.2
121.06471	1.7
121.10145	21.3
123.08068	1.5
123.11726	4.0
126.02139	1.3
129.07008	1.2
131.08560	9.4
133.10139	14.6
135.08072	3.3
135.11697	13.3
139.11195	1.5
147.11685	2.0
149.09633	2.7
149.13261	39.6
151.11221	1.5
153.16925	1.2
159.11696	22.1
159.52538	1.2
165.12767	1.2
167.14346	1.5
173.13245	1.2
177.12790	9.3
195.13797	14.6
198.77742	1.2
269.17493	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
51.50964	1.5
53.03948	3.2
55.01852	2.1
55.05514	21.4
57.03440	30.9
57.07072	2.2
65.03930	2.1
67.05507	74.1
69.07072	28.7
69.70024	2.4
69.70431	7.9
70.88867	1.4
71.04982	5.0
71.08618	1.5
79.05499	49.4
81.03410	2.4
81.07059	100.0
83.04995	8.3
83.08627	16.0
85.06532	4.6
91.05487	24.9
93.07047	67.5
93.07639	3.5
93.87322	1.4
95.04961	5.5
95.08614	22.2
97.06524	18.2
97.10135	2.6
99.08081	3.8
100.57168	1.5
102.35217	1.3
105.07042	10.0
107.08598	32.6
109.06535	1.8
109.10161	4.1
111.08083	9.9
117.07019	9.7
119.08604	2.9
121.10136	15.9
123.11700	4.3
125.09636	1.5
131.08571	11.8
133.10150	11.9
135.08067	2.1
135.11690	10.0
137.09727	1.3
139.11150	1.5
144.44641	1.5
147.11696	2.3
149.12061	2.0
149.13266	37.5
151.11192	1.5
159.11703	21.2
177.12737	9.0
195.13762	10.5
269.08044	1.5
269.17484	49.3
269.22403	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03930	4.2
55.01855	3.4
55.05510	20.1
57.03436	31.0
57.07060	2.4
65.03924	4.6
67.05505	80.1
69.03417	1.5
69.07068	27.2
71.04990	5.4
79.05495	44.6
81.03407	4.8
81.07057	100.0
83.04964	8.2
83.08624	18.5
85.06525	5.2
91.05491	28.8
93.07042	63.5
95.04951	6.5
95.08606	26.7
97.06528	18.7
98.21504	4.5
99.08073	3.2
101.42876	1.8
104.10765	1.9
105.07040	13.8
107.07894	2.1
107.08594	34.8
109.06503	3.0
109.10149	7.0
111.08083	8.0
113.09634	2.1
117.07003	10.2
119.08577	6.8
121.06490	2.9
121.10151	18.7
123.11684	2.2
129.06967	1.6
131.08568	12.2
133.10158	14.6
135.11673	7.9
143.08563	1.8
145.10109	2.5
147.11620	3.7
149.09624	2.3
149.13272	41.6
152.06357	1.8
157.10118	4.3
159.11700	22.4
171.11705	3.6
173.13248	3.7
177.12740	10.9
185.13220	1.5
185.75587	1.7
187.14780	1.6
195.11659	1.7
195.13803	12.7
269.07928	2.3
269.17368	41.1
269.22543	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	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
52.78611	1.4
53.03933	5.6
54.19697	1.3
55.01867	2.9
55.05518	23.3
57.03444	32.3
57.07066	4.8
65.03920	2.1
67.05511	72.8
69.03415	1.6
69.06734	1.7
69.07075	25.9
70.76410	3.7
71.05006	7.2
79.05496	47.2
81.03423	3.2
81.07064	100.0
83.04988	8.3
83.08628	19.5
85.06554	7.1
91.05490	29.1
93.07052	68.9
95.04967	5.0
95.08076	2.1
95.08619	24.9
97.06556	14.8
97.10175	3.3
99.08089	2.5
105.07039	7.7
107.08606	35.1
109.06512	3.9
109.10144	5.2
111.08082	8.8
113.06030	2.0
117.07024	11.7
119.08569	3.9
121.06502	2.3
121.10165	19.0
123.11679	3.8
131.08575	10.5
133.10141	14.6
135.08083	1.6
135.11711	13.2
149.09592	2.5
149.13283	42.5
151.11154	2.6
154.29118	1.2
159.11708	17.9
161.86487	1.2
167.08548	1.5
167.14296	1.7
177.12787	9.5
195.13832	14.0
213.44475	1.3
269.17499	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0955
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78447	0.4
55.01890	1.0
55.05523	0.6
55.55163	0.5
61.01146	3.7
65.03932	2.6
67.05504	1.9
69.03445	0.9
69.07072	1.2
70.99786	0.9
71.05013	0.8
72.04516	4.8
78.03796	9.7
79.05502	1.3
81.07047	2.4
83.04994	0.6
83.08627	0.7
86.06068	1.2
91.05467	1.1
91.57585	0.4
93.03421	0.8
93.07053	1.5
95.04970	1.2
95.08617	1.8
102.03771	15.6
103.02200	0.6
105.07003	0.6
107.04968	0.6
107.08618	1.2
109.06538	0.8
109.10137	0.9
111.04459	0.8
111.10167	0.4
113.06075	0.4
114.03745	1.1
119.08620	0.6
120.04843	1.5
121.02876	100.0
121.10159	0.9
125.09669	1.1
131.06393	10.7
131.08549	0.9
132.04788	7.2
138.05544	0.8
145.10136	0.8
149.07449	71.7
150.05515	4.4
151.11205	0.9
159.11736	0.5
173.01430	0.4
192.06570	16.9
195.11981	0.5
204.66168	0.4
224.16515	0.7
225.16832	3.7
251.09058	0.5
269.04721	0.9
269.09592	8.7
269.12244	0.8
269.19586	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	269.1021
Annotation	Cardiobutanolide
Peak:m/z	Relative Intensity
51.02378	1.9
53.03935	6.4
55.01874	3.2
55.05511	2.2
56.96572	1.8
57.07059	1.7
57.19477	1.7
59.73035	1.8
67.05501	3.2
69.03427	3.6
69.07062	1.7
69.31620	13.3
70.06579	3.2
71.04997	3.3
73.02918	2.3
77.03891	1.7
79.05494	13.2
80.55533	1.7
81.03426	3.1
81.07059	3.5
82.27789	1.7
85.02897	2.0
91.05470	5.1
93.07044	6.0
95.04994	8.7
97.02916	1.7
98.21558	3.6
98.97584	1.7
105.04533	3.6
105.07025	3.8
107.04961	100.0
107.08582	1.8
109.02882	1.9
109.06526	2.7
110.07160	6.8
111.04420	3.1
117.06993	3.6
118.47112	1.6
119.04972	1.7
119.08556	2.1
121.06506	5.8
123.08087	1.7
125.06129	2.1
136.06218	5.0
137.06551	5.7
137.09683	1.9
145.06500	3.8
147.04405	2.0
149.05994	4.5
175.07497	2.0
185.05969	1.9
268.97772	1.9
269.05753	2.2
269.08014	3.5
269.15338	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	268.9826
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14369	2.3
71.49151	3.7
94.97141	2.2
112.89613	26.5
114.89362	2.7
136.94008	5.4
140.83751	2.4
146.45424	2.6
156.04900	2.9
162.95573	5.0
178.97215	9.3
233.88588	2.4
260.33157	2.6
268.98236	100.0
276.51443	2.3
292.27881	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1043
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.42585	0.2
55.01873	0.4
57.03435	0.6
68.23998	0.2
69.03420	0.3
69.83433	1.0
71.01358	0.3
73.02909	0.2
85.02903	0.4
94.04037	0.4
98.21442	0.2
110.60712	0.2
112.17299	0.2
119.03584	1.1
136.06197	100.0
137.04637	0.3
137.06599	0.3
268.10425	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	268.1042
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.26982	0.2
55.01874	0.4
57.03433	0.5
59.92450	0.1
66.20649	0.2
67.17852	0.2
69.03433	0.4
70.46351	0.1
70.69724	0.6
73.02907	0.4
81.42397	0.2
85.02904	0.7
85.13663	0.2
94.04066	0.5
95.88277	0.2
97.02887	0.3
115.03947	0.2
119.03570	1.2
120.66482	0.2
136.06192	100.0
137.04477	0.2
137.06616	0.4
153.01801	0.4
161.03021	0.2
178.53279	0.2
191.12650	0.2
229.27185	0.2
237.49365	0.2
268.10410	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03953	5.4
55.01867	3.2
55.05513	6.2
57.03154	1.2
57.03440	19.1
65.03929	1.0
67.05180	1.3
67.05510	13.6
69.03434	2.1
69.07074	3.0
69.19453	7.2
71.04997	1.7
79.05498	11.8
79.15858	0.7
80.72842	0.6
81.03423	100.0
81.07056	13.5
83.04988	5.6
83.08624	13.4
91.05487	18.0
93.07059	7.3
95.04977	21.0
95.08605	5.3
97.02881	1.7
97.06513	1.2
97.10159	1.0
105.07027	13.6
107.04961	4.4
107.08604	3.3
109.06528	3.2
111.04468	0.9
111.08096	6.6
115.05399	1.5
115.40754	0.7
117.07007	1.3
119.08583	12.2
119.87286	0.7
121.06461	1.3
121.10155	4.7
123.07990	1.4
123.11698	1.1
126.90608	0.7
129.06999	6.1
131.08597	6.6
133.06505	3.3
133.10118	4.1
137.09630	1.2
142.07811	1.9
145.10091	0.8
147.08049	2.9
147.11687	7.9
149.09669	3.6
157.10144	8.7
163.11288	0.9
165.12770	2.7
167.84297	0.7
175.11201	9.4
193.12268	19.2
211.13304	2.5
267.15933	41.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03947	4.4
55.01868	3.0
55.05512	6.5
55.57350	0.9
57.03444	18.4
67.05178	1.1
67.05508	11.4
69.03423	3.1
69.07063	2.6
69.76147	0.8
71.04980	1.0
71.25368	2.1
79.05497	8.3
81.03426	100.0
81.07069	10.2
83.04996	5.0
83.08627	11.3
88.35757	0.9
90.88290	0.9
91.05483	16.1
91.12449	0.8
93.07059	6.9
94.06479	1.0
95.04977	20.5
95.08604	3.5
97.02895	2.0
97.06522	1.1
97.10136	1.2
105.07043	14.1
107.04961	4.2
107.08576	2.6
109.06506	2.5
109.10157	1.3
111.08094	5.1
115.05481	0.9
117.07018	1.9
119.08596	10.8
121.06507	2.1
121.10155	3.9
121.60556	0.9
123.08048	1.5
129.07028	9.4
131.08572	6.1
133.06490	2.5
133.10173	4.6
142.07829	2.5
147.08035	2.9
147.11710	6.8
149.09625	3.3
157.10146	7.8
165.12749	1.3
175.11194	8.5
193.12265	16.4
211.13341	1.4
267.15918	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03955	3.6
55.01875	1.7
55.05513	7.0
57.03160	1.3
57.03442	20.6
65.03918	0.9
66.17780	0.7
67.05508	11.8
69.03429	1.8
69.07069	3.1
71.04971	0.8
78.05170	0.6
79.05496	11.7
81.03421	100.0
81.07063	11.9
83.04980	5.3
83.08620	13.9
91.05484	15.4
93.07040	6.9
95.04021	0.8
95.04974	20.6
95.08617	4.7
95.38825	0.7
97.02902	2.0
97.06534	1.7
97.10144	1.3
98.21508	1.9
100.36646	0.7
105.07041	15.4
107.04967	4.3
107.08594	3.2
109.06533	2.9
111.04433	0.9
111.08082	5.1
115.05464	1.0
117.06978	0.9
119.08591	10.5
121.06512	2.0
121.10160	5.6
123.08059	1.7
129.07013	8.3
129.29561	0.7
131.08580	8.2
132.36302	0.6
133.06497	2.3
133.10153	3.6
137.09598	1.2
142.07787	2.6
147.08015	3.2
147.11693	6.6
149.09612	4.6
157.10139	9.1
163.11205	0.9
165.12823	2.6
175.11203	8.4
193.12242	19.5
205.12247	1.0
211.13338	2.4
229.26514	0.7
246.12291	0.7
267.15915	40.3
268.16367	0.9
284.94406	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03957	3.5
55.01870	1.9
55.05520	8.1
57.03437	22.5
59.22950	0.7
60.19284	0.6
65.03963	0.8
67.05507	12.0
69.03426	2.3
69.07069	3.0
71.04982	1.7
71.32787	0.7
77.03897	0.7
79.05493	10.9
81.03419	100.0
81.07056	10.3
82.03762	0.8
83.04991	5.8
83.08621	13.9
85.06507	0.6
91.05482	16.1
91.06032	1.4
92.80650	0.7
93.07041	7.8
95.04969	19.7
95.08601	5.2
97.02895	1.5
97.06535	1.4
97.10165	1.4
98.21569	1.3
105.07034	13.1
107.04964	5.5
107.08608	3.6
109.06524	3.1
109.10174	2.1
111.04426	1.5
111.08084	6.2
115.05453	1.1
115.80682	0.8
117.06976	1.2
119.08588	12.3
121.06493	2.5
121.10156	6.0
123.08090	1.7
129.07022	7.7
131.08575	7.0
133.06497	2.3
133.10130	4.4
135.08141	0.7
137.09634	1.4
142.07773	1.9
145.10149	1.0
147.08078	2.3
147.11714	6.6
149.09625	4.0
151.87746	0.7
155.54153	0.7
157.10123	9.0
163.11198	1.2
165.12764	2.2
175.11179	7.3
175.93068	0.7
193.12244	18.0
195.62413	0.7
211.13319	2.0
223.13275	0.9
249.14938	1.2
267.15918	40.8
287.57401	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03943	4.0
55.01888	1.8
55.05516	8.5
57.03441	18.6
57.07075	1.2
67.05509	13.3
69.03413	2.3
69.07053	3.3
71.04987	1.3
71.52114	1.4
71.52480	0.8
73.25227	0.8
75.61147	0.8
79.05495	12.4
81.03419	100.0
81.07051	13.2
83.04977	5.9
83.08629	12.7
85.06500	1.1
88.34346	0.8
91.05482	16.9
92.66134	0.9
93.07043	7.8
95.04974	23.2
95.08620	6.1
97.02878	2.6
97.06503	1.3
98.98448	2.3
99.04475	0.9
99.08018	1.0
105.07032	12.1
107.04932	4.7
107.08589	5.4
107.09187	0.9
109.06506	3.1
109.10113	2.0
111.04416	1.4
111.08083	7.1
115.05440	1.6
117.07007	1.1
119.04910	1.1
119.08572	10.6
121.06487	1.9
121.10159	4.2
123.08096	1.5
128.06276	1.0
129.07008	9.0
131.08563	6.8
133.06485	2.5
133.10141	4.8
135.11700	0.9
137.09625	2.0
142.07791	2.7
145.10114	1.1
147.08058	2.5
147.11700	7.7
149.09598	3.0
157.10149	9.2
165.12732	2.3
172.24846	0.9
175.11160	9.4
193.12263	17.4
199.20908	0.7
205.12373	0.8
209.13190	0.8
211.13275	3.2
221.83632	0.8
249.14996	1.1
267.15927	37.7
267.20673	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.37413	0.7
53.03948	4.7
55.01868	2.2
55.05511	8.2
57.03442	18.8
67.05511	11.1
69.03419	1.8
69.07057	2.6
69.29301	7.1
71.04982	1.3
74.43188	0.8
79.05502	11.4
81.03422	100.0
81.07062	12.1
83.04965	4.5
83.08627	13.3
85.06561	0.8
91.05486	15.5
93.07055	7.0
95.04976	20.5
95.08602	4.7
97.02894	2.4
97.06524	1.4
97.10164	1.7
98.20729	1.5
105.06400	1.3
105.07037	14.3
107.04990	3.8
107.08585	2.8
109.06505	3.0
109.10130	1.4
111.04456	1.5
111.08084	5.2
115.05449	1.1
117.07088	0.8
119.08594	12.8
121.06490	2.2
121.10172	5.5
121.10889	0.9
123.08053	1.9
125.09566	0.9
129.07027	8.7
131.08556	5.5
133.06482	2.7
133.10147	3.7
137.09653	1.5
142.07767	2.7
145.10130	1.3
147.08104	1.7
147.11684	6.6
149.09624	2.5
157.10141	7.9
165.12733	1.8
175.11168	7.6
193.12257	18.5
211.13269	2.1
249.14848	0.8
267.15930	36.0
268.16351	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05516	0.3
57.03437	0.3
59.05005	0.4
59.84416	0.3
61.02926	1.5
67.05523	0.5
70.06599	0.5
71.04987	1.6
71.50266	0.4
79.05505	1.1
81.03432	1.8
81.07063	3.0
91.05489	0.5
93.07071	0.4
94.04079	1.1
109.02888	4.2
117.10983	0.3
119.03551	3.1
120.08094	0.3
124.07573	0.3
130.04913	0.3
136.06190	100.0
137.04585	1.1
137.05661	0.3
138.05458	0.3
150.05460	0.5
150.07751	0.5
162.07695	0.3
168.06569	1.2
169.79399	0.2
185.67345	0.2
188.11542	0.3
204.13789	0.4
220.09576	0.3
234.13496	18.1
261.63922	0.3
266.16107	43.3
267.16464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	[3R-(3alpha,3abeta,5aalpha,7beta,9bbeta)]-3a,4,5,5a,6,7,8,9b-Octahydro-3a,7-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.00306	0.8
53.03947	4.6
55.01864	3.6
55.05521	9.9
57.03445	20.9
57.03731	0.8
65.03954	1.5
67.05511	16.5
69.03430	4.2
69.07075	6.7
70.06570	1.0
71.04977	3.5
71.51074	1.4
73.14703	0.9
74.90070	0.9
79.05497	14.8
81.03425	100.0
81.07063	21.5
83.04984	8.6
83.08625	15.2
85.06527	3.2
91.05483	21.4
93.07051	12.0
95.04976	20.9
95.08622	12.0
97.02910	2.2
97.06532	5.3
97.10155	1.5
98.97483	0.8
105.07037	19.4
107.04977	6.2
107.08604	6.8
109.02895	4.3
109.06529	5.1
109.10153	3.1
110.03175	1.7
111.04478	1.5
111.08110	6.8
117.07015	1.8
119.04933	2.7
119.07792	1.5
119.08595	14.8
121.06501	3.4
121.10153	7.9
123.08063	3.6
123.11703	3.5
125.09628	1.4
127.03946	1.4
127.07570	1.9
128.06221	1.4
129.07030	8.8
131.08571	7.6
133.06477	2.7
133.10120	7.2
135.11690	1.3
136.06158	2.1
137.05968	1.2
137.09598	2.5
142.07715	2.1
143.08562	1.5
145.10077	2.1
147.04395	1.9
147.08063	3.1
147.11697	10.6
149.09633	4.8
151.03867	1.3
153.01839	3.8
157.10158	9.5
159.11694	1.7
161.09685	1.0
163.03938	1.1
163.11218	1.7
165.05591	0.9
165.12762	3.4
167.10693	0.9
169.10144	1.3
171.06453	0.8
171.11703	1.0
175.11169	12.0
177.01910	1.1
179.03462	4.4
181.01323	0.9
183.11559	1.3
191.03400	2.0
193.12244	17.8
195.02948	3.2
197.00832	1.4
197.13211	1.1
207.02908	4.3
209.04510	2.2
211.13277	1.9
231.17433	1.4
249.07611	1.1
249.14865	2.8
249.18402	1.8
267.05072	1.1
267.15921	44.3
267.20621	4.7
268.16330	1.1
279.17410	1.1
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
51.74688	0.4
52.97252	0.4
53.03944	1.8
56.05050	0.4
56.33902	0.5
67.05500	2.0
68.88854	0.4
69.03439	0.7
69.07025	0.5
70.06583	2.4
71.04993	0.6
79.05479	1.0
81.03423	6.3
81.07067	0.4
90.08282	0.4
90.71302	0.5
90.94808	0.6
91.00531	0.5
91.05502	0.6
93.05859	0.4
94.06573	7.3
95.04971	0.6
98.06043	0.4
102.31847	0.4
105.07060	0.5
106.06575	1.4
108.04563	0.5
109.02892	17.6
110.06055	2.4
112.03983	0.6
112.07593	0.8
120.08111	0.5
122.06045	10.0
123.06818	14.4
123.07677	0.9
134.06006	1.7
136.07558	0.7
137.08417	0.6
138.05511	35.3
140.03432	0.7
140.07060	0.8
150.05519	31.1
151.06300	18.9
151.07260	0.5
152.07057	2.8
152.67734	0.4
153.07849	0.7
160.07613	1.2
161.06017	0.6
162.09070	0.6
164.07103	0.8
168.06572	100.0
169.07376	5.2
176.07069	0.9
178.06253	1.2
185.84355	0.4
191.09474	0.5
193.08629	0.8
195.61139	0.4
202.12289	1.7
220.13353	5.3
230.11873	1.6
231.10925	0.5
248.10027	0.6
248.12831	8.1
248.15239	0.7
262.90744	0.5
266.13892	47.8
267.14261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
56.90182	0.6
66.40716	0.6
67.05521	1.1
69.03445	0.6
70.02952	0.7
70.06602	1.0
71.51259	0.8
78.13482	0.5
79.05518	0.6
81.03418	2.3
81.07056	1.4
87.00854	1.8
91.05495	1.6
93.07042	1.7
95.08608	1.2
103.05469	6.0
109.02902	5.3
118.06559	9.5
120.08114	100.0
121.06534	1.4
121.08447	1.0
128.04982	0.9
133.08868	1.1
146.06017	14.4
148.05963	0.7
148.11322	0.6
149.90933	0.8
153.01816	0.6
178.08693	0.9
180.10260	2.1
188.07077	17.3
188.08820	0.9
204.17438	4.4
206.08141	65.1
207.08701	0.7
218.15338	3.4
236.16577	4.1
241.37369	0.7
248.09242	1.1
266.17551	14.9
266.20761	1.7
289.19513	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04355	1.7
60.04532	10.9
64.62663	1.1
70.02950	6.6
71.04431	2.5
74.96088	1.4
88.03999	53.5
91.05486	85.0
96.44611	1.1
102.05549	100.0
109.06377	1.2
130.05020	1.3
134.09717	1.5
146.06033	1.4
148.06055	59.8
196.09830	1.6
206.08043	1.8
220.09689	7.7
248.09239	2.0
266.10239	1.5
266.17499	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2527
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03940	1.9
54.48883	1.2
55.05514	61.9
57.03437	3.2
57.06837	2.2
57.07082	25.3
67.05509	59.3
69.07072	86.8
71.04982	4.0
71.08296	1.3
71.08641	13.7
79.05496	40.7
81.03407	4.1
81.07062	68.4
83.04989	3.4
83.08623	60.0
83.79815	1.2
85.06554	6.1
85.10189	7.5
86.66621	1.3
91.05472	5.4
93.06485	2.7
93.07046	40.1
95.04949	2.7
95.08612	66.4
97.06538	19.9
97.10172	36.7
98.20673	2.5
99.08095	2.9
105.07050	1.7
107.04941	3.0
107.08602	24.8
109.10162	32.9
111.08091	11.8
111.11723	13.6
113.09642	2.7
117.50407	1.2
119.08566	1.9
121.10146	53.9
123.11726	12.7
123.46132	1.5
125.09620	3.9
125.13208	2.3
129.12767	1.9
135.11696	47.5
137.13242	6.5
139.11148	3.0
142.02165	1.5
143.14304	1.6
149.13258	17.8
151.14833	7.0
155.14297	1.6
163.14833	6.6
165.16368	7.7
175.19196	1.3
177.16418	3.6
191.17963	2.5
205.19507	1.5
239.45834	1.4
243.09088	1.4
247.24249	40.2
247.26851	2.0
265.14343	2.8
265.25272	100.0
266.25525	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03955	4.9
55.01862	5.3
55.05505	10.5
57.03433	6.2
65.03945	7.2
67.05509	18.6
69.03434	29.0
69.07063	5.7
70.06583	8.0
71.04982	8.2
71.50670	5.4
72.08157	26.4
79.05502	19.2
81.03412	12.6
81.07071	19.4
83.04969	7.4
84.04498	9.0
84.08147	4.2
85.02909	36.4
86.03236	13.9
86.09708	5.4
91.05478	45.0
93.03403	5.6
93.07040	29.0
95.04976	29.1
95.08598	13.6
97.02879	8.7
97.06532	7.4
99.04449	6.8
103.05456	9.2
105.07040	53.0
107.04958	5.4
107.08587	17.4
109.02887	16.6
109.06562	18.5
109.10151	5.5
111.04443	27.7
111.08080	7.5
113.06003	8.8
115.03954	6.8
115.05457	7.5
116.06185	7.3
117.06972	16.4
118.06547	4.9
119.04987	3.5
119.07638	3.3
119.08590	61.2
119.09432	2.2
120.08118	100.0
121.02900	18.4
121.06525	34.0
121.10142	11.5
121.17929	3.3
122.07133	9.2
123.04423	5.4
123.08102	15.7
125.05936	3.4
125.41690	2.8
127.58811	3.3
128.06192	4.3
129.06995	12.2
130.05084	3.4
131.04924	4.4
131.08572	30.1
133.04976	3.4
133.06464	11.1
133.10135	18.9
134.09650	25.9
135.08080	58.4
135.09081	5.8
135.10016	45.5
136.07591	4.8
137.06047	2.9
137.09618	8.5
139.03877	11.5
139.07524	6.7
141.06929	7.2
141.73830	3.2
142.07794	9.2
143.08575	11.0
144.04758	4.0
144.09331	8.3
145.06540	16.3
145.10153	24.2
147.08067	32.7
147.11653	8.0
149.06027	5.6
149.09604	5.8
151.07549	3.7
152.05666	10.0
155.08528	4.6
157.06448	3.2
157.10124	16.1
158.07265	13.5
159.08078	22.7
159.11696	33.4
160.08839	4.0
161.09642	28.9
163.03920	3.9
163.07526	3.5
165.09155	28.0
168.09369	7.6
169.10088	4.1
171.08037	6.1
171.11658	8.7
172.08844	15.8
173.09630	13.7
173.13289	14.6
175.07574	56.1
175.11208	26.5
177.05351	4.6
181.10036	3.7
183.11632	8.7
185.09598	5.7
187.07468	4.4
187.11206	30.3
189.09035	7.9
189.12727	11.9
191.10683	4.6
193.08571	17.5
193.10095	4.5
196.08786	5.0
199.11177	8.8
201.12737	19.5
203.10645	27.0
205.08511	3.9
205.12241	7.5
211.11217	14.0
217.12282	18.6
229.12198	16.7
235.09575	3.7
235.13254	5.6
247.13261	31.5
265.06851	5.3
265.12466	58.7
266.12503	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	265.1436
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.17340	3.2
51.47516	2.9
51.55630	3.2
53.03945	10.0
54.16635	2.5
55.01870	8.3
55.05524	17.5
57.03438	5.8
65.03943	9.6
67.05510	31.6
69.03436	41.7
69.07067	6.2
69.87804	13.6
71.04987	8.3
72.36996	3.2
79.05489	23.8
81.03416	13.1
81.04500	2.7
81.07063	22.0
83.04988	10.4
84.04474	3.3
85.02905	12.2
86.09720	5.5
91.05476	56.8
93.03394	6.8
93.07044	40.0
95.04971	45.0
95.08595	25.7
96.08101	3.3
97.02899	6.8
97.06535	10.8
99.04446	6.7
103.05486	4.6
105.07034	81.5
107.04926	7.6
107.08613	24.0
109.02895	13.8
109.06529	41.7
109.10156	9.5
111.04452	39.6
111.08063	8.8
113.02381	3.0
113.06010	19.5
115.03919	9.7
115.05479	8.4
116.06251	6.6
117.07000	23.4
119.04956	3.1
119.08588	100.0
120.08145	14.8
120.08878	5.0
121.02886	23.2
121.06510	45.7
121.10148	13.7
121.95979	3.7
122.07204	7.3
123.08060	25.1
125.05991	4.5
128.06213	10.2
129.07011	22.5
130.07784	6.8
131.08580	55.3
133.06509	15.5
133.10153	25.9
134.09691	5.3
135.08060	89.7
135.09973	4.1
137.05980	6.3
137.09628	16.5
139.03894	11.3
139.07521	11.7
141.07019	8.8
142.07780	13.5
143.08545	21.8
144.05759	5.8
144.09386	4.8
145.02815	6.7
145.06514	19.2
145.10123	43.0
146.07198	5.2
147.08061	49.6
147.11714	13.9
149.05980	8.7
149.09616	18.9
151.07495	4.0
153.07024	4.2
153.09132	5.4
155.08574	13.0
156.09355	10.6
157.06561	5.5
157.10144	25.0
158.07309	28.0
158.10986	4.3
159.08047	43.9
159.11688	41.5
160.08833	5.3
161.05959	5.7
161.09631	42.9
161.13220	4.0
163.07532	6.7
163.11168	4.2
165.09120	37.2
168.09380	7.8
169.10132	9.6
171.06432	2.8
171.08061	9.9
171.11725	12.2
172.08856	25.8
173.09607	27.5
173.13280	25.7
175.07564	77.7
175.11159	40.2
177.05499	8.4
177.09131	6.1
179.66499	3.3
181.06552	4.6
183.11731	12.0
185.09602	9.3
186.10434	5.6
187.07672	4.2
187.11174	51.9
189.09087	15.1
189.12721	14.8
191.10616	3.3
193.08644	29.2
193.10162	5.6
196.08879	10.3
199.11166	16.3
201.12755	38.1
203.10654	46.6
205.12315	11.4
211.11177	24.4
217.12241	24.7
219.13844	11.4
229.12274	25.3
235.13390	7.0
247.13293	51.9
265.14499	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1232
Annotation	Acanthomine A
Peak:m/z	Relative Intensity
55.05535	0.3
57.03444	4.3
67.05490	0.4
69.42459	2.6
69.80923	0.4
71.01358	1.7
72.62096	0.4
84.04523	0.5
85.02911	62.8
86.03263	0.4
88.11523	0.4
91.05493	0.7
93.05775	0.6
93.07059	0.8
103.03937	1.0
105.07037	0.8
107.08588	0.6
113.02377	1.6
115.05452	0.5
117.07028	1.8
118.05711	0.5
118.06550	9.1
119.07331	8.7
121.06474	0.6
122.07180	0.3
131.03427	4.5
131.08604	0.4
132.08116	1.0
134.09662	100.0
135.10001	0.6
160.11357	0.5
161.34616	0.4
175.07491	0.5
198.05511	0.5
217.80063	0.4
222.59792	0.4
246.11278	0.7
264.12323	73.7
265.12692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03936	1.9
53.17655	0.8
53.58808	0.8
55.01865	1.4
55.05516	13.9
57.03447	1.1
57.07084	12.6
65.03943	1.6
67.05511	80.8
67.48453	0.9
69.07072	16.6
69.75470	5.4
71.05006	1.4
71.08636	6.0
79.05068	1.7
79.05497	21.4
81.07063	100.0
83.04998	1.0
83.08615	13.3
85.06551	5.1
85.10162	2.6
89.14169	0.8
91.04985	1.4
91.05494	17.7
93.07056	24.1
95.04982	2.0
95.08614	81.5
96.72284	0.8
97.06531	8.1
97.10162	6.4
98.21439	1.1
99.08096	5.0
105.06402	1.1
105.07047	11.5
105.09029	0.8
107.08608	13.1
109.06511	2.1
109.10166	44.3
111.08104	5.6
111.11709	1.4
113.09658	2.1
117.07000	1.0
119.08585	13.9
121.09320	1.6
121.10155	18.4
123.08055	2.1
123.11715	19.3
125.09619	1.1
127.11236	1.9
128.06242	1.6
133.10144	14.6
135.11690	11.0
137.09610	2.1
137.13261	7.4
141.12662	2.1
143.08519	1.7
147.11707	10.4
149.13258	8.8
151.14835	9.5
157.10078	2.7
161.13277	10.6
163.14833	9.1
165.12810	1.1
165.16428	9.5
175.14819	8.2
177.16403	1.4
179.17958	2.4
181.15880	1.0
189.16360	3.1
203.17978	1.2
205.10037	0.9
207.11671	1.0
217.19542	1.5
221.13298	1.6
233.13284	2.5
245.22659	32.5
246.22861	1.3
248.15601	2.5
263.18201	4.7
263.23718	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03954	2.3
55.01867	1.0
55.05275	1.2
55.05515	16.7
57.03438	1.4
57.07077	10.4
65.03932	2.3
67.05507	91.7
69.07069	15.0
69.26957	2.0
69.27364	6.9
71.04981	1.4
71.08630	6.9
79.05492	24.5
81.07058	100.0
83.04975	2.8
83.08621	15.6
85.06538	4.4
85.10174	3.4
91.05486	21.9
91.63256	1.0
93.07043	23.1
95.04961	2.3
95.08610	95.8
97.06522	5.5
97.10150	6.3
98.20789	2.1
99.08099	4.8
105.07029	13.9
107.08602	14.5
109.06526	1.0
109.10162	47.8
111.08063	4.4
113.09633	3.6
117.07029	1.2
119.08590	11.5
121.10149	15.6
123.04464	1.2
123.08028	2.7
123.11716	17.7
125.09652	1.6
127.11192	2.0
133.10129	16.8
135.11705	10.0
137.09680	2.1
137.13269	6.8
141.12730	2.8
147.11684	11.4
149.13258	7.5
151.11194	1.7
151.14836	8.8
153.12721	1.0
155.14316	1.3
156.51755	0.9
161.13258	10.0
163.14807	8.2
165.16371	9.0
167.14314	1.6
175.14807	8.3
177.16385	2.0
179.17976	3.8
181.15889	1.6
189.16403	4.1
204.13298	1.1
227.24051	0.9
237.68961	0.9
238.88446	1.0
245.22664	31.9
259.75943	1.0
263.14557	6.8
263.23709	64.4
270.76736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1645
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03935	4.3
55.01864	4.7
55.05521	16.1
56.96548	2.4
57.03437	5.4
57.07065	4.8
59.04981	3.5
63.30515	2.2
65.03925	2.5
67.05506	24.1
69.03435	16.2
69.07072	23.8
70.06570	5.8
71.01347	2.6
71.05003	9.7
71.51365	2.1
72.08141	2.2
73.02921	3.8
79.05110	2.0
79.05495	18.6
81.03406	3.9
81.06595	3.3
81.07059	49.6
83.04961	8.7
83.08603	6.7
85.02883	6.7
85.06516	6.0
88.07637	5.4
91.05476	25.7
93.07050	39.2
95.04977	13.2
95.08611	35.2
97.02873	3.4
97.06508	9.3
97.10146	3.4
99.04445	5.6
99.08032	2.6
103.05471	4.8
103.42461	2.2
105.07033	54.7
107.04939	8.3
107.08611	35.2
109.02908	2.8
109.06535	18.6
109.10169	14.4
111.04437	6.9
111.08080	4.8
111.44408	2.2
113.86944	2.0
115.05456	4.9
117.07021	12.9
119.04911	4.3
119.08584	46.2
121.06506	13.4
121.09457	2.4
121.10155	26.1
123.04408	7.7
123.08082	11.3
123.11718	10.1
125.05997	4.6
125.09647	3.2
128.06248	5.7
129.07024	10.5
130.07790	2.7
131.04907	3.4
131.08566	20.8
133.06493	10.8
133.10132	32.0
135.04376	3.2
135.08049	12.6
135.11719	14.9
137.05954	12.8
137.09579	8.1
137.13266	3.7
138.69099	2.0
139.07513	2.8
139.11096	2.5
141.07030	3.1
142.07785	6.7
143.08549	21.1
144.05693	3.8
144.09364	3.6
145.06496	10.6
145.10132	32.6
147.04379	3.8
147.08046	19.2
147.11696	24.2
149.09656	10.2
149.13225	9.3
151.07616	4.7
151.11229	3.7
155.08461	3.8
156.09294	3.6
157.06488	9.4
157.10144	22.7
159.08046	9.3
159.11699	29.5
161.05936	2.5
161.09653	12.8
161.13295	18.5
163.07516	4.5
163.11162	7.5
163.14838	3.2
165.05461	2.9
165.09113	4.9
167.08539	2.6
167.10655	2.8
169.10088	5.5
170.10815	2.6
171.07999	5.4
171.11670	8.9
173.09621	4.3
173.13277	10.3
175.07500	8.2
175.11192	13.2
175.14807	9.0
177.09171	3.0
177.12717	6.8
179.08510	3.0
179.10579	2.7
185.09628	16.0
185.13167	12.4
187.11201	16.8
187.14890	2.6
189.09090	5.7
189.12741	12.5
189.16359	5.0
193.12112	2.6
199.14862	12.9
201.12704	9.1
201.20461	8.5
203.10600	4.2
203.14334	11.5
205.12257	7.6
207.10049	3.5
213.09090	4.3
217.04959	2.3
217.12355	2.3
217.15935	18.9
219.13797	5.8
221.15173	5.1
227.14256	14.9
235.16721	3.3
245.08057	5.2
245.11629	4.1
245.15359	39.6
245.22731	7.6
263.02481	2.0
263.05170	2.2
263.09039	5.9
263.13272	3.1
263.16409	100.0
263.24042	36.1
281.51392	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1643
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
53.03935	3.2
55.01865	5.8
55.05515	51.3
67.05497	10.8
69.01734	1.8
69.03426	4.3
69.07051	5.9
71.04993	2.1
71.51542	1.9
79.05497	16.9
81.07061	49.5
83.04955	3.0
83.08623	100.0
91.05496	19.3
93.06570	1.8
93.07061	21.3
94.04170	6.4
95.04977	12.0
95.08599	13.8
97.06521	9.0
98.20795	2.0
105.07040	12.0
107.04943	4.9
107.08600	43.6
109.06522	94.2
109.10165	3.2
111.08089	17.7
113.06054	2.3
113.09633	4.3
117.07008	3.3
119.04935	7.0
119.06042	2.6
119.08544	8.5
121.06499	2.9
121.10146	9.7
123.04408	3.7
123.08051	8.4
124.07652	1.5
125.09629	13.1
132.87939	1.8
133.06494	1.7
133.10123	7.2
135.11699	2.1
137.05988	25.2
137.09607	3.3
139.11185	21.0
143.08585	3.2
145.10117	8.8
147.07996	2.4
149.09593	4.5
151.07635	1.9
153.09085	9.3
159.11736	9.3
161.09587	4.8
161.13264	3.7
162.10335	1.6
163.07524	2.1
163.11143	1.9
177.12704	4.3
179.10597	2.3
179.14301	2.1
181.12219	14.6
185.13248	5.8
187.11211	7.6
203.14339	13.3
205.12262	17.1
221.15356	22.3
236.87340	1.8
245.15379	4.9
263.05298	1.9
263.16345	13.2
263.20276	4.1
263.23935	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	263.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31801	4.7
55.01868	13.5
55.05515	41.8
57.03424	14.5
59.04996	8.0
61.02910	6.6
67.05504	25.8
69.03432	36.0
69.07053	14.2
71.01369	6.8
71.04998	100.0
73.02914	7.0
79.05494	21.4
81.03403	16.2
81.07050	32.5
83.04986	19.5
83.08617	23.5
85.02904	68.2
87.04488	6.2
91.05483	28.8
93.07049	33.5
95.04942	21.0
95.08604	27.7
97.02895	19.7
97.06532	18.2
99.04439	6.9
99.08040	4.2
103.05507	5.7
105.07033	22.2
107.04991	4.8
107.08591	15.9
109.02876	10.6
109.06528	8.3
109.10149	8.3
111.04444	6.5
111.08098	31.0
113.09618	12.9
115.03950	4.5
117.07011	9.7
119.04971	4.8
119.08572	20.6
121.06503	18.9
121.10145	9.7
123.04422	9.0
123.08074	20.3
127.03922	15.3
129.09158	6.7
131.08525	5.1
133.06451	5.6
133.10107	10.9
135.08037	16.3
137.09608	11.0
139.07538	25.9
139.11113	5.4
141.09099	23.6
143.08563	8.8
144.29022	4.3
145.04951	6.8
145.10106	9.6
147.04428	7.5
147.08022	7.9
147.11765	8.8
149.09592	6.4
151.07576	22.5
157.10121	8.8
159.08066	7.3
161.09625	15.2
163.11235	6.3
167.10701	6.6
169.08664	8.5
175.07489	6.4
185.13225	5.5
187.11143	5.7
189.12677	6.5
199.11136	4.8
199.14873	5.1
203.10614	10.0
209.11685	11.8
217.12314	6.6
217.15907	4.4
227.10730	5.2
227.12654	5.4
233.08113	6.3
245.11726	7.2
263.09015	7.0
263.12885	16.0
263.16504	34.0
279.52689	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	263.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05054	0.9
57.03442	1.1
57.65194	0.6
63.95736	0.7
69.03412	1.0
70.02979	0.7
70.06595	0.8
81.07055	1.0
84.04507	15.6
85.02908	26.0
86.06067	1.7
86.09707	1.9
87.04475	1.5
91.05485	1.0
93.07058	1.1
95.01326	2.5
98.21548	1.3
98.97587	1.0
102.05538	11.6
105.07063	1.0
112.03965	1.8
113.02339	1.1
116.98620	0.9
118.06540	3.2
119.01850	0.8
119.07323	3.4
121.12825	0.7
128.89757	0.7
129.07001	0.7
130.05003	100.0
132.08084	0.9
134.09654	94.5
136.10898	0.7
139.49635	0.7
143.01906	0.8
144.95819	0.9
153.01814	2.4
154.02074	0.6
157.84853	0.7
160.11223	0.8
167.97490	0.7
201.59859	0.9
203.07045	1.0
217.01239	0.8
217.05135	1.0
235.02525	0.9
246.11142	3.5
263.01837	1.7
263.05875	1.9
263.09244	1.0
263.13983	11.4
263.16556	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1278
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03942	2.9
55.01863	4.3
60.39834	1.1
65.03931	1.6
67.05499	4.4
69.03438	9.0
69.64343	3.0
69.64742	5.8
71.04970	1.2
79.05516	5.9
81.07063	7.1
83.04985	1.4
84.93082	1.3
85.02881	2.9
86.15794	1.2
91.05486	9.6
93.07055	6.9
95.04974	3.7
95.08630	1.6
97.02907	3.0
97.06539	12.2
97.71439	1.2
98.97009	1.2
99.04391	1.2
105.07033	10.3
107.04961	1.7
107.08584	11.0
109.02880	4.1
109.04962	1.3
109.06519	4.2
111.04462	8.7
111.08095	1.7
113.02364	4.7
115.05455	2.8
117.07009	5.4
119.04945	1.3
119.08601	10.2
121.06506	4.7
123.04426	8.0
123.08055	4.3
128.06174	3.1
129.06990	4.3
131.08572	5.3
133.06496	3.9
133.10126	4.0
135.08063	100.0
137.05986	4.5
137.09650	1.6
139.07550	1.6
141.06999	4.0
142.07809	5.8
143.08588	8.0
144.09308	3.0
145.06479	4.5
145.10118	3.9
146.07237	1.9
147.08084	9.0
147.11742	1.9
149.05991	3.8
149.09570	2.1
151.07539	1.6
155.08598	1.7
156.09357	10.2
157.10153	7.6
158.07182	3.1
159.08090	6.5
159.11681	9.6
161.05971	4.3
161.09616	5.2
163.07571	3.7
165.09187	1.7
166.07774	3.7
169.10109	1.8
171.08041	3.0
171.11734	8.0
172.08804	4.6
173.09650	11.5
174.06804	2.2
175.07553	2.8
175.11223	5.5
181.10100	3.6
184.08891	6.0
185.09622	6.3
187.11218	25.5
188.08342	4.2
189.05435	1.4
189.09126	2.0
189.12698	3.4
199.07590	2.3
199.11200	20.7
203.10677	30.8
205.08577	2.0
209.09784	2.4
212.08321	4.0
215.10713	20.2
217.12262	17.6
227.10684	15.6
233.11749	14.3
245.11755	46.7
263.12839	12.3
263.15579	1.7
263.16476	1.6
280.82047	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28062	1.7
63.11322	1.7
67.88145	1.6
69.63753	10.6
70.99842	3.5
82.99837	6.7
89.00903	3.5
98.21523	2.0
101.00891	46.4
112.89626	33.1
113.00866	3.7
114.89357	20.9
119.01934	27.8
127.02409	3.2
131.01904	5.3
139.02441	4.6
143.01909	73.5
145.03438	5.9
155.01863	4.8
157.03503	10.2
159.01360	1.9
161.02968	94.4
167.01901	2.8
173.02936	8.9
185.02966	5.2
191.03972	5.9
203.04018	33.9
221.05077	14.0
239.06129	7.1
263.06125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28062	1.7
63.11322	1.7
67.88145	1.6
69.63753	10.6
70.99842	3.5
82.99837	6.7
89.00903	3.5
98.21523	2.0
101.00891	46.4
112.89626	33.1
113.00866	3.7
114.89357	20.9
119.01934	27.8
127.02409	3.2
131.01904	5.3
139.02441	4.6
143.01909	73.5
145.03438	5.9
155.01863	4.8
157.03503	10.2
159.01360	1.9
161.02968	94.4
167.01901	2.8
173.02936	8.9
185.02966	5.2
191.03972	5.9
203.04018	33.9
221.05077	14.0
239.06129	7.1
263.06125	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	262.1804
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
57.07069	1.7
67.79777	0.4
70.06596	4.0
70.95943	0.8
71.08629	1.2
81.07066	0.5
87.04473	29.9
87.18719	0.3
88.07632	3.8
106.08668	0.5
114.09171	1.1
118.06553	11.7
120.08138	0.6
132.08092	4.1
132.10213	5.1
133.08881	2.1
134.09680	1.2
146.09691	3.9
147.10391	0.5
150.11270	4.2
160.11128	0.5
176.14357	69.2
177.14702	1.1
218.11772	0.4
218.21199	2.1
262.18033	100.0
262.23779	24.6
263.18454	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43666	18.9
55.63162	16.7
64.21930	17.5
65.07742	17.4
65.25453	17.9
69.80841	100.0
90.72571	17.7
143.01891	23.1
263.01724	49.2
284.47879	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1805
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
56.76085	0.5
57.07069	1.2
66.92075	0.5
69.03442	0.5
69.07052	0.5
70.06591	1.2
70.53953	0.5
71.51362	0.5
79.05493	0.8
81.07091	0.8
83.08622	0.6
87.04478	28.8
88.07645	1.1
93.07076	1.2
95.08622	0.9
99.35952	0.5
105.07028	0.6
107.08605	1.2
108.08920	0.7
118.06548	15.2
123.11805	0.6
132.08115	3.5
132.10208	1.5
133.08881	1.7
134.09558	0.7
135.11771	0.5
146.09659	3.7
150.11261	1.1
153.01901	0.7
162.12776	1.7
176.14365	72.7
177.14787	0.6
181.13777	0.5
185.14729	0.4
216.03659	0.5
218.21175	0.7
233.18929	0.5
262.18042	100.0
262.23819	8.7
263.18381	0.8
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	Dinortrixagone
Peak:m/z	Relative Intensity
53.03933	3.0
55.01876	0.9
55.05278	1.0
55.05514	14.8
57.03423	1.7
57.07072	4.6
60.51937	0.8
63.46273	0.8
65.03929	1.7
67.05509	45.6
69.03404	0.8
69.07072	13.2
71.04973	1.7
71.08625	2.0
71.50933	0.9
79.05496	56.8
81.07059	52.1
82.08302	0.8
83.04981	1.0
83.08620	7.4
85.06533	3.6
91.05486	30.6
93.07047	77.1
95.04990	4.2
95.08616	35.5
97.06528	3.5
97.10168	4.1
98.53675	0.9
99.08074	3.0
105.07034	25.3
107.04969	1.1
107.08598	53.3
109.06497	2.4
109.10168	17.1
109.22028	0.9
111.08082	4.8
112.40604	0.9
113.09630	1.2
113.28214	0.9
117.07011	7.6
119.08590	19.2
119.09406	0.7
121.06489	1.0
121.10148	46.6
123.04422	1.6
123.08067	1.5
123.11707	3.7
125.09617	1.6
131.08580	17.8
133.10138	14.3
135.08052	1.4
135.11697	36.4
137.13266	1.6
139.11174	1.0
145.10139	15.0
147.08092	0.8
147.11693	12.2
149.09648	1.5
149.13269	27.7
151.11192	1.7
153.12785	1.1
159.11700	13.5
161.13268	12.8
163.14828	22.0
163.16118	1.7
165.12732	1.5
173.13261	10.8
175.14835	5.6
177.12808	1.0
177.16414	5.0
179.14290	2.0
185.13193	0.9
187.14832	8.1
201.16402	3.1
215.17943	2.6
219.17528	1.0
243.21089	32.5
261.22150	100.0
262.22443	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.9
53.03938	3.9
55.01858	0.9
55.05512	15.6
57.03426	1.8
57.07081	3.9
58.49377	0.7
65.03937	3.2
67.05506	44.8
69.06726	1.1
69.07070	13.3
71.04979	1.8
71.08630	1.5
74.73886	0.8
77.03918	0.8
79.05496	59.5
81.07059	47.4
83.04992	0.7
83.08626	7.3
85.06532	2.8
91.05481	28.1
93.07044	79.3
95.04993	3.6
95.08609	35.8
97.06525	3.1
97.10150	2.6
99.08095	4.3
105.04550	1.9
105.07038	20.7
107.08596	48.6
109.06510	2.2
109.09385	1.0
109.10155	17.4
109.76639	0.7
111.08070	3.0
113.09685	1.1
117.07018	6.2
119.08582	16.1
121.10145	45.4
123.04410	1.1
123.08083	1.9
123.11694	4.1
131.08568	17.3
133.10138	13.1
135.08020	0.8
135.11694	33.7
137.09616	2.0
137.13268	1.8
139.11078	1.3
145.10138	14.1
147.11703	12.6
149.09642	1.8
149.13263	29.9
151.11179	0.9
152.03897	0.7
159.11697	10.5
161.13260	13.2
163.11218	1.0
163.14816	21.1
165.12723	1.1
173.13287	10.7
175.14848	5.1
177.16454	4.3
179.14343	1.7
187.14796	6.6
189.16348	1.3
199.21368	0.8
201.16393	4.2
203.90884	0.7
215.17981	2.4
217.19640	0.9
219.17558	1.0
225.41052	0.7
233.22760	1.3
243.21091	31.0
246.14030	0.8
261.22141	100.0
262.22516	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02385	0.9
53.03944	3.8
55.01863	1.1
55.05269	1.0
55.05511	13.9
57.03428	1.4
57.07081	3.1
65.03922	1.8
65.58157	0.6
67.05505	40.1
68.79253	0.6
69.07067	11.2
69.18279	0.6
69.61130	3.8
71.04978	1.7
71.08608	1.0
71.32600	0.6
77.03890	1.1
79.05495	56.1
81.07056	48.8
81.41827	0.6
83.04990	1.0
83.08624	9.1
85.06533	3.0
91.05482	27.8
93.07045	75.3
94.07395	0.7
95.04987	3.1
95.08609	37.7
97.06539	3.0
97.10156	3.3
99.08080	3.0
105.04485	1.0
105.07033	18.4
107.08597	45.8
109.06499	1.7
109.09395	0.7
109.10151	12.7
111.08094	3.8
111.11698	0.8
113.09595	1.3
117.07002	6.6
119.06046	1.0
119.07814	1.2
119.08588	16.0
121.10147	40.0
123.11700	4.5
131.08572	14.3
133.10130	13.2
135.08034	1.1
135.11697	32.1
137.09575	1.5
137.13248	2.0
139.11223	1.0
145.10132	14.3
147.11693	13.7
149.09540	1.0
149.13260	27.7
151.11160	1.4
151.14810	1.1
159.11700	9.9
161.13275	11.3
163.14833	20.5
165.12723	1.8
173.13271	10.7
175.14835	5.0
177.16380	4.9
179.14342	2.3
187.14833	8.0
201.16374	3.9
203.18179	0.8
205.15884	1.0
215.17917	1.8
217.19493	0.7
217.24614	0.6
219.17479	1.0
233.22667	1.2
243.21085	29.3
261.22144	100.0
262.22540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.9
55.05514	14.9
57.03415	1.6
57.07072	3.7
57.28418	0.7
64.77084	0.8
65.03947	2.1
67.05510	45.2
69.07076	12.0
71.04982	2.7
71.08635	1.3
77.03931	1.2
79.05499	57.0
80.04821	0.7
81.07063	47.9
83.04964	1.0
83.08622	7.7
85.06545	3.8
91.05487	27.8
93.07051	76.2
95.04966	3.0
95.08616	37.7
95.09097	0.5
95.09249	0.9
97.06549	3.7
97.10191	3.8
99.08092	3.6
105.04509	0.9
105.07040	22.1
107.08604	45.6
109.06483	1.4
109.10163	15.0
111.08102	4.0
113.09658	1.9
117.07035	7.6
119.07805	1.2
119.08596	15.3
121.10152	42.8
123.08067	1.9
123.11731	4.7
125.09583	0.9
127.11210	0.8
131.08572	14.9
133.10139	13.2
135.08141	0.8
135.11705	37.2
137.09602	1.9
137.13289	1.4
145.09055	1.2
145.10127	16.8
147.11700	12.0
149.09612	0.8
149.13271	29.6
151.11157	0.9
156.19299	0.7
159.11696	12.3
161.13266	12.1
163.14835	21.2
165.12715	1.1
173.13280	10.8
175.14868	4.9
177.16409	5.2
179.14328	1.7
187.14839	6.8
201.16425	3.5
205.15950	0.8
215.17924	1.3
233.22675	1.5
243.21106	31.3
261.04022	0.8
261.22156	100.0
262.22467	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02377	0.6
53.03948	2.9
55.01866	0.6
55.05510	13.9
55.37856	0.4
56.96686	0.4
57.03439	1.2
57.07071	3.8
59.32894	0.5
61.80241	0.5
65.03940	1.8
67.05506	43.7
69.07069	12.1
71.04985	2.4
71.08624	1.4
77.03914	1.4
77.77465	0.4
79.05495	57.2
81.07056	48.7
83.04985	1.1
83.08625	8.8
85.06556	4.3
91.05483	30.6
92.55525	0.4
93.07044	76.6
95.04974	3.8
95.08608	36.5
97.06533	3.0
97.10179	2.6
98.20692	1.1
99.08096	3.7
105.04529	1.8
105.06310	0.8
105.07031	20.6
107.08596	47.2
109.06511	1.2
109.10156	15.0
111.08078	2.6
111.11675	0.5
113.09658	1.3
117.07023	7.3
119.06070	1.1
119.07703	0.7
119.08581	16.1
121.10143	42.1
123.08073	1.3
123.11706	5.4
125.09614	1.3
131.08575	14.1
133.10132	13.8
135.08084	0.7
135.11696	35.8
137.09605	2.0
137.13257	1.1
145.10123	13.8
147.11687	11.9
149.13261	28.7
151.11215	1.0
151.14888	0.9
153.12668	1.0
159.11691	10.6
161.13251	11.7
163.11223	1.0
163.14824	20.7
165.12762	1.9
171.11661	0.5
173.13266	11.0
175.14836	5.1
177.16386	5.7
179.14307	1.5
185.13121	0.5
185.66277	0.6
187.14824	7.1
189.16383	0.6
191.14243	0.8
201.16368	3.8
203.17938	0.6
205.15808	1.1
215.18005	2.3
217.19514	0.6
219.17416	0.8
233.22641	1.1
243.21097	32.9
261.22141	100.0
262.22504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1489
Annotation	Parahigginic acid
Peak:m/z	Relative Intensity
51.39182	2.5
53.03938	4.2
55.01857	9.3
55.05498	8.7
61.02919	3.2
67.05508	14.1
69.03435	15.6
69.07053	11.8
70.06589	6.7
71.51504	2.7
73.02931	3.5
79.05511	15.6
81.03428	17.3
81.07084	14.3
83.04964	8.5
84.08137	2.4
85.02911	5.7
91.05486	39.8
93.07037	23.3
95.05000	14.1
95.08600	9.7
97.02870	4.2
97.06533	3.2
101.02374	2.7
103.05498	18.4
105.07047	35.7
107.04949	11.4
107.08578	11.2
109.06544	4.8
109.10152	5.3
111.04422	7.7
115.05455	17.8
117.07030	42.6
119.04932	4.9
119.08567	21.0
121.02840	7.2
121.06483	6.0
121.10170	10.1
123.04429	10.9
123.11723	4.1
127.03901	3.0
128.06218	8.7
129.07008	31.4
131.04945	32.8
131.08574	48.0
133.06516	13.0
133.10156	25.1
135.04373	5.0
135.08104	5.5
135.11617	5.0
141.06992	11.3
142.07756	8.1
143.08592	21.2
144.09299	5.4
145.06509	37.8
145.10138	23.7
147.08041	17.9
147.11676	5.2
149.05943	5.2
149.09598	5.0
153.01787	3.6
153.05505	4.2
153.06938	4.4
155.06082	4.4
155.08589	23.2
156.09319	6.6
157.06471	5.6
157.10167	18.0
158.07211	4.5
159.04469	29.7
159.08063	38.2
159.11700	24.1
161.09641	5.2
161.13100	3.8
163.03870	5.5
163.07645	3.1
163.11185	4.6
165.06966	5.2
167.08615	4.0
169.10149	8.6
171.04373	7.6
171.08031	5.5
171.11659	15.8
173.09656	17.0
173.13223	10.4
175.11177	7.2
177.05493	13.7
183.08026	8.4
183.11700	8.1
187.03912	15.5
187.07526	5.2
187.11211	34.7
187.14795	5.4
189.05411	5.8
189.12782	5.5
191.03384	8.4
197.13228	6.4
199.11169	9.7
201.09067	6.3
201.12787	26.7
203.14235	3.9
205.04938	20.7
205.08521	6.3
213.12598	4.3
215.03387	18.0
215.10664	7.4
215.14314	15.0
217.05017	5.0
217.12257	2.8
219.02855	4.0
219.10278	3.0
225.12747	6.9
229.13492	6.1
230.12959	2.7
231.13696	6.4
233.04439	22.7
233.15392	3.8
243.02863	17.1
243.13783	27.6
261.03976	48.5
261.07416	4.0
261.12317	4.9
261.14865	100.0
261.22324	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	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05520	10.8
58.92459	1.9
59.85877	2.3
67.05518	13.4
69.07073	35.7
69.28246	19.2
71.04707	2.1
71.05006	20.8
79.05495	7.7
80.82196	2.2
81.07066	18.8
82.18391	2.0
83.04976	6.0
83.08614	8.8
85.06547	20.8
91.05482	12.0
91.66594	2.3
93.07041	16.4
95.04964	4.4
95.08602	16.0
97.06523	4.9
98.21250	10.8
99.08062	3.1
105.07044	28.9
107.08604	17.8
107.77342	2.3
109.06522	5.4
109.10161	11.6
111.08079	8.6
117.07037	8.0
118.41259	2.1
119.07802	4.0
119.08594	46.4
121.06511	2.6
121.10156	9.5
123.08144	3.5
123.11709	22.2
127.72021	2.6
131.08582	17.8
133.10164	30.4
135.08066	11.4
135.11693	4.8
137.09653	5.1
142.07826	3.8
143.08585	12.2
145.10138	35.6
147.11687	17.4
149.09631	2.8
157.10175	15.9
159.11699	35.7
160.12473	4.5
161.13272	30.8
171.11705	14.3
173.13242	10.9
174.33733	2.4
175.11194	5.1
175.14853	82.1
176.15602	3.7
177.12784	3.4
177.16339	3.2
185.13286	17.6
189.12735	4.6
189.16429	4.9
190.13536	2.6
199.14766	4.9
201.16402	31.1
203.14326	9.9
211.78494	2.8
215.17917	4.1
217.19469	4.3
241.19540	14.9
259.20609	100.0
270.52649	2.1
283.84814	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	259.0603
Annotation	Pannorin
Peak:m/z	Relative Intensity
68.99783	2.6
69.40754	4.3
79.01855	0.9
79.05508	0.6
91.05436	1.2
98.20770	1.2
106.13898	0.6
107.04946	0.8
115.05451	9.5
118.03715	0.6
121.02877	0.7
128.06209	1.7
129.06969	3.5
132.07741	0.5
135.04359	0.7
139.05437	3.2
141.07001	42.3
143.03476	0.9
143.04892	2.7
145.06575	0.6
149.02341	2.3
152.06227	0.6
153.01839	33.6
153.02879	1.2
155.04909	2.2
155.06071	1.1
157.06483	13.8
161.06015	0.7
167.04927	1.8
168.05659	3.4
169.06496	24.6
171.04419	3.8
184.05252	3.3
185.05986	9.6
195.04411	1.4
197.05997	34.9
198.06432	1.1
199.03922	8.4
213.05482	51.1
215.07036	7.6
231.06523	2.9
241.04968	27.3
242.05725	1.7
259.06030	100.0
260.06274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
55.05517	8.8
57.07076	3.9
58.71210	1.5
67.05507	10.8
67.83154	1.4
69.07070	31.6
71.04985	16.3
79.05478	5.6
81.07057	20.8
83.04971	6.2
83.08617	6.6
85.06546	18.6
91.05480	12.3
92.64056	1.3
93.07047	16.1
95.04990	2.6
95.08610	20.3
97.06537	3.2
97.10149	1.5
99.08078	2.0
100.04886	1.4
105.03355	5.7
105.07034	26.4
107.08587	18.8
109.06533	8.4
109.10164	13.7
111.08088	7.6
115.05400	2.2
117.07022	9.0
119.08585	44.7
120.09373	1.6
121.10156	13.8
123.08105	2.8
123.11728	16.7
129.01854	3.4
129.06992	1.7
130.07788	1.8
131.08563	14.4
133.10132	32.6
135.08072	10.4
135.11700	6.6
137.09604	4.2
142.07773	2.5
143.08571	6.4
144.09364	1.8
145.10129	30.7
147.08040	2.3
147.11707	19.6
149.09631	3.3
149.13228	2.1
153.06978	1.5
156.09344	5.4
157.10127	12.7
158.10854	1.6
159.11694	27.8
160.12477	2.5
161.09601	3.2
161.13258	31.6
163.11220	4.1
165.12799	1.6
170.10883	2.9
171.11694	17.9
173.13283	8.0
175.11217	4.7
175.14825	78.0
176.15503	3.2
177.12773	3.8
177.16429	3.9
178.30571	1.7
185.13269	15.6
187.14772	1.7
189.12740	4.2
189.16428	7.0
190.13489	3.5
191.14336	2.4
199.14824	5.2
201.16380	22.4
203.14304	9.6
215.17969	3.8
217.19398	2.6
241.19533	18.6
259.20584	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	258.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.0
55.01862	8.3
55.05507	8.9
56.96300	3.6
56.96570	52.8
57.03445	19.3
58.06614	2.4
59.05003	2.0
60.95873	2.0
61.02934	24.4
67.05498	2.6
69.03086	3.0
69.03436	43.2
69.07074	2.4
70.06599	11.7
70.98108	6.5
70.99857	2.6
71.04984	6.7
71.95277	2.8
72.08156	19.8
72.93832	2.9
73.02928	21.6
73.06560	5.0
79.01858	6.0
79.05471	2.0
81.01023	3.0
81.03429	16.0
81.04540	4.8
81.07073	5.4
82.03783	2.0
82.06583	2.3
83.04989	4.5
83.06103	3.8
84.04511	24.9
84.08150	94.0
84.96043	8.3
85.02913	63.6
85.06544	4.1
86.03223	3.9
86.09712	14.0
87.04465	7.4
88.99154	3.8
89.00801	4.4
89.02559	2.2
90.94871	2.7
91.00503	2.2
91.03952	3.0
91.05473	2.4
95.04971	6.8
95.06079	6.8
96.04529	2.2
96.05276	2.7
97.02306	4.6
97.02901	54.8
97.96840	2.2
98.03172	3.0
98.97594	100.0
99.04449	7.3
99.97955	2.7
100.02205	5.5
100.99142	5.5
101.00896	14.5
101.02403	3.3
102.00970	6.0
103.02481	2.3
104.10751	6.8
107.04949	2.8
108.01569	2.1
108.04495	4.6
109.02238	3.4
109.02895	24.2
109.07656	2.3
110.01286	8.1
110.07183	16.8
110.97569	17.5
112.01021	3.9
112.05092	4.0
112.07619	2.2
112.11262	3.8
112.99169	5.0
113.00886	3.3
115.00673	4.9
115.02460	4.6
115.03938	4.2
116.98628	39.0
117.05407	2.3
117.99021	2.6
118.02856	2.9
119.01888	37.0
119.51997	2.3
120.02024	15.4
121.01663	5.8
121.02879	8.2
122.03179	2.7
123.04456	3.5
124.07604	4.1
124.08694	3.6
124.99179	2.3
125.07109	3.5
126.05505	6.4
126.06641	7.1
127.00709	3.0
127.03930	22.7
128.02361	8.4
128.71707	2.1
128.98636	13.2
129.02217	4.6
129.10251	98.4
130.04947	4.5
131.00250	10.4
131.01802	11.8
132.95811	4.0
133.01714	3.4
134.99664	9.2
135.06331	2.1
138.03087	2.7
140.02303	6.2
140.98615	3.6
143.00168	9.1
143.01903	8.1
143.03487	4.9
144.03531	2.2
144.98116	6.3
145.01685	12.7
145.03459	7.9
145.04996	11.0
146.01309	2.5
146.02545	6.2
146.04131	4.1
146.99687	10.1
147.01373	5.0
147.03119	15.5
147.15703	2.0
149.01225	7.0
153.01851	38.4
153.02988	3.3
154.02087	5.6
155.01849	3.8
155.04686	36.8
155.54825	2.7
155.99678	2.2
156.02184	4.0
156.03595	12.6
156.95801	2.8
157.03516	5.8
158.99677	18.4
159.03152	2.7
159.04958	3.6
161.01260	4.9
161.02969	11.8
161.04636	4.6
162.99171	3.5
163.02701	5.1
163.04607	2.4
164.05165	3.6
165.00676	4.0
165.04359	2.5
167.01884	2.2
168.01993	4.4
168.03647	37.3
168.05455	48.9
168.53862	2.8
170.03455	4.2
170.05157	8.3
170.55449	2.2
170.99660	5.9
172.97569	3.9
173.01265	6.6
173.02972	6.9
173.04857	5.8
174.03134	3.8
174.99213	4.7
175.00801	2.2
175.02657	3.7
177.00937	12.6
177.02385	6.8
177.04175	36.1
177.05978	34.5
177.54315	2.7
178.04898	3.3
181.03545	2.1
182.03349	5.7
182.99597	3.5
183.86784	2.1
184.03107	2.6
185.02948	4.6
186.04486	5.2
187.02777	3.1
188.54979	3.3
189.00717	6.9
189.02460	5.2
189.04309	6.6
190.98679	3.2
191.02261	9.8
191.03923	15.5
191.05862	6.0
195.11310	4.1
198.03026	5.5
199.04909	3.4
200.04497	3.9
201.00758	5.1
203.04041	6.0
204.05562	2.4
205.00264	3.5
207.01744	4.1
208.99870	3.2
209.05080	2.3
212.04625	5.0
212.14072	11.5
214.06195	2.5
214.98726	2.6
215.04080	2.6
216.04262	2.7
217.00201	3.4
217.02025	2.9
219.01787	9.2
219.05177	6.3
221.05104	2.7
222.03191	6.3
222.05281	3.1
223.01082	3.3
227.04019	2.2
231.03543	4.4
232.03841	7.5
232.99774	6.2
233.03441	6.6
233.06920	2.5
234.91995	2.3
234.99030	9.0
235.01231	6.1
237.02682	10.1
240.04251	3.5
240.13345	2.9
240.20718	5.8
242.07338	3.0
242.09808	2.1
245.05052	5.1
249.06224	11.9
249.08546	3.0
251.00806	2.6
251.04352	3.7
258.02945	2.8
258.05255	11.8
258.09341	7.1
258.14511	30.0
258.18094	9.9
259.04312	7.2
263.06366	2.4
265.02493	2.3
271.03027	2.2
275.98044	5.6
276.06415	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	257.1901
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.05506	5.6
57.07082	1.7
59.04990	1.3
67.05513	7.4
67.30906	1.0
69.07053	5.1
69.07375	1.1
69.44209	1.0
70.91383	2.1
70.91723	1.5
71.04988	4.0
79.05497	6.0
81.07062	5.9
83.04961	1.4
83.08620	2.6
85.06534	3.6
90.09236	1.1
91.05475	7.7
93.07047	13.3
95.04966	4.7
95.08601	9.0
97.06577	1.4
99.08105	1.2
105.07037	24.3
107.08591	14.0
109.06538	5.8
109.10165	10.9
111.08061	2.5
115.05467	1.7
117.07029	4.1
119.08589	19.3
121.06486	1.3
121.10149	63.2
123.08048	3.5
123.11704	2.3
127.49249	1.0
128.06189	2.1
129.06976	4.8
130.07788	1.7
131.08582	13.2
131.62277	1.1
133.07614	1.4
133.10150	10.5
135.08063	14.8
135.11687	4.6
137.09616	3.9
142.07773	4.0
143.08568	20.1
144.09290	3.1
145.10124	17.4
147.08040	1.8
147.11659	3.6
149.09599	3.3
151.11191	1.4
153.06935	1.2
153.29312	1.1
155.08623	2.1
156.09322	5.5
157.08958	1.9
157.10139	24.0
158.10878	4.9
159.08064	1.5
159.11690	24.1
161.09581	2.0
161.13292	1.7
163.04848	1.2
163.11180	5.1
168.09343	2.0
169.10138	8.1
170.10876	1.8
171.11716	10.7
173.09618	3.3
173.13269	24.4
174.14008	2.1
175.11197	2.0
175.14899	2.2
177.12868	1.6
181.10193	1.5
182.10933	2.0
183.11719	12.7
184.12440	4.9
185.13213	2.7
187.11250	6.3
187.14819	4.2
189.12740	3.2
193.80072	1.2
195.11557	1.6
197.13269	8.2
199.14844	26.9
200.15501	1.4
201.12762	7.5
204.66759	1.1
209.13225	1.6
210.14052	1.8
211.14896	2.2
213.16415	11.8
214.17122	2.2
215.14325	4.0
215.17935	7.4
227.14417	1.3
239.17957	12.6
257.19012	100.0
257.26651	4.8
258.19302	2.7
258.27936	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	257.175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72882	2.1
53.03941	4.1
55.01867	6.4
55.05515	32.9
57.03434	3.3
57.07065	2.5
57.57594	2.4
65.03941	6.0
67.05167	4.0
67.05511	40.0
69.03426	12.8
69.07074	25.8
71.04996	8.5
71.51207	2.9
79.05500	29.7
81.07065	90.8
83.05001	6.0
83.08623	24.5
84.08137	3.0
85.06553	100.0
86.09704	3.5
91.05485	21.5
93.03390	6.6
93.07053	74.9
94.69895	2.5
95.04962	13.9
95.08612	51.1
97.06543	27.8
97.10179	9.3
98.97598	5.4
99.04465	2.8
99.08113	20.6
105.07037	39.3
107.04968	8.2
107.08604	43.1
109.02909	3.6
109.06522	16.4
109.10159	22.3
111.04466	2.6
111.08098	19.1
116.25794	2.5
117.06990	4.6
119.04970	10.6
119.08596	30.4
121.02906	3.3
121.06524	20.0
121.10155	27.0
123.04444	8.9
123.08070	6.6
123.11726	44.8
125.06015	2.8
125.09637	9.0
127.07523	2.6
128.06168	3.2
129.05537	3.1
129.06935	2.6
131.04964	3.0
131.08611	6.0
133.10153	18.9
135.04437	2.5
135.08076	3.1
135.11702	7.8
137.05972	3.1
137.09618	3.2
139.07559	69.6
139.08638	3.5
139.11142	2.2
143.08606	5.5
145.10126	5.0
147.11716	6.2
149.13272	2.5
151.14813	5.4
155.07124	4.2
155.08560	3.4
157.08632	45.4
157.10001	5.0
158.99611	4.1
159.11726	10.0
161.09538	4.0
161.13274	56.1
161.14622	3.1
163.11185	3.0
165.09207	5.3
165.48058	2.0
169.08640	3.5
171.04456	4.8
173.13318	4.1
175.14818	14.5
177.16400	10.1
179.03270	2.9
179.14310	13.3
180.62335	2.2
185.13252	5.2
193.15927	6.1
197.13576	1.9
197.15388	12.0
199.14879	3.5
200.75079	2.7
203.14331	15.6
206.73000	2.5
221.15382	36.8
227.03700	2.4
229.04849	3.4
229.19598	2.2
239.07120	6.4
239.16353	18.9
239.18230	2.2
239.84810	2.5
255.02950	7.0
257.04495	14.8
257.08234	10.2
257.11624	2.7
257.13358	4.3
257.17258	20.9
257.22668	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	257.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12527	3.1
53.03936	4.1
55.05503	13.6
57.03414	3.6
60.94741	3.2
61.84507	2.9
67.05510	18.1
69.03430	4.9
69.07059	14.5
69.25436	3.7
69.34836	22.8
71.05007	8.3
74.43274	3.6
79.05493	13.7
81.03423	5.3
81.07062	42.7
83.04950	5.2
83.08619	12.1
85.02927	3.7
85.06540	50.9
91.05481	13.2
93.07048	50.4
95.04966	9.6
95.08613	22.2
97.06509	14.7
97.10197	7.0
98.97595	8.8
99.08100	6.7
105.07041	16.9
107.04967	100.0
107.08600	23.7
109.06531	8.0
109.10152	11.8
111.08088	12.8
112.91432	3.0
119.04922	6.8
119.08597	20.3
119.37455	3.4
121.06499	6.8
121.10160	12.9
123.04412	7.4
123.11713	24.0
127.07571	3.3
130.84528	3.0
131.04944	5.9
131.08537	4.7
131.37086	3.2
133.10127	13.2
135.11737	5.4
137.09691	4.2
139.07545	45.0
145.10139	5.8
147.04364	3.4
147.08138	3.8
157.08609	23.7
157.10065	5.5
159.11670	4.1
161.09615	3.0
161.13263	26.7
175.14824	7.4
176.51041	3.4
177.16367	4.2
179.14307	6.9
185.13129	4.6
193.15775	3.5
197.15273	4.3
203.14383	8.0
221.15353	12.3
229.08597	4.4
239.16354	6.5
242.10292	3.7
257.04532	6.5
257.08289	8.8
257.13004	7.2
257.17340	8.1
257.19617	5.7
257.22495	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	257.0811
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
53.03932	1.0
55.01864	0.6
55.05511	5.5
57.07066	1.5
58.12056	0.5
64.40468	0.4
65.03932	0.7
67.01867	3.4
67.05506	9.4
68.99791	1.5
69.03428	1.8
69.07068	7.9
71.05001	2.1
71.08640	0.6
72.08134	0.5
75.60378	0.4
79.05498	5.4
81.03417	0.7
81.07059	10.7
83.04974	0.7
83.08616	6.2
85.06535	1.7
91.05473	4.7
93.07047	3.1
95.04960	2.0
95.08607	14.3
95.11050	0.5
97.02900	1.0
97.06509	0.8
97.10172	3.9
98.21587	0.8
100.55765	0.5
103.05470	21.7
105.03442	0.8
105.07035	2.2
105.35565	0.4
107.04942	3.9
107.08602	1.7
109.06503	0.5
109.10162	6.6
111.00803	0.8
111.08080	1.2
111.11735	0.8
117.07010	1.0
119.04932	1.2
119.08574	1.6
119.61054	0.5
121.10166	1.2
123.03671	0.4
123.04424	2.4
123.11707	3.0
125.06005	0.5
125.13287	0.5
127.11189	0.9
129.07022	0.7
131.04932	42.9
131.08577	1.8
133.10146	0.8
135.04414	0.5
135.11707	0.6
137.13264	0.9
139.07549	2.2
143.08560	1.2
145.06445	0.5
145.10136	1.8
147.08081	0.7
147.11702	0.7
151.03922	2.4
153.01831	100.0
154.02190	1.0
155.08527	0.9
157.10136	0.8
159.11691	2.0
160.21364	0.4
161.13268	0.8
169.06456	0.5
169.10126	1.5
171.02901	2.8
171.11681	0.9
173.05977	2.4
173.13208	0.5
175.14870	0.5
175.88406	0.4
177.99602	0.4
179.03400	1.5
183.11674	0.6
184.42538	0.5
185.13313	0.6
187.08665	1.9
187.11403	0.4
191.07053	0.7
193.15886	0.8
197.13318	0.7
199.14856	1.4
201.12779	0.6
213.06619	1.5
215.07063	1.4
219.54773	0.5
221.15437	0.9
228.08682	0.6
229.19313	0.4
239.07002	0.6
239.18175	0.7
242.10620	0.8
257.08096	89.2
257.12610	2.3
257.15414	1.6
257.19083	3.2
257.22525	1.9
258.08398	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0809
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
53.03937	1.1
55.01873	0.9
55.05510	2.4
55.93536	0.3
56.68321	0.4
56.96575	0.4
57.07080	0.9
59.76063	0.3
62.93245	0.3
67.01872	5.1
67.05509	3.9
68.99788	2.6
69.03419	1.9
69.07073	2.3
71.04984	0.8
79.01832	0.5
79.05495	4.1
81.03416	1.0
81.07064	3.6
83.04969	0.7
83.08632	2.0
83.86813	0.3
84.08197	0.4
85.06534	1.3
91.00279	0.3
91.05492	4.9
93.07056	1.9
95.04959	1.3
95.08607	3.8
97.02897	1.8
97.06519	0.7
97.10186	0.9
98.97601	0.8
101.87376	0.4
102.77764	0.4
103.05473	20.8
104.05817	0.5
105.03404	1.1
105.07053	2.5
107.04965	4.2
107.08578	2.4
109.06500	0.6
109.10166	3.2
111.00774	0.9
111.08073	1.5
117.07005	1.2
119.04926	2.1
119.08576	1.9
121.02813	0.4
121.06512	0.7
121.10142	1.4
121.24838	0.4
123.04414	2.3
123.08038	0.5
123.11728	1.1
125.02307	0.9
127.03967	0.5
127.11168	0.8
128.06239	0.8
129.01863	0.7
129.07007	1.4
131.04938	39.3
131.08595	2.4
132.05296	0.4
133.10168	1.2
135.11671	0.6
137.09654	0.6
137.13246	0.4
137.92766	0.4
139.07552	2.6
142.07823	0.6
143.08557	1.3
145.06508	1.2
145.10133	1.7
147.04436	0.6
147.08047	0.5
147.11673	0.9
151.03943	2.3
153.01836	100.0
153.29445	0.4
154.02187	1.1
155.08553	0.7
157.10127	1.4
159.11703	1.5
161.13245	0.9
165.07047	0.5
169.10146	0.9
171.01372	0.7
171.02885	13.2
171.11699	1.3
173.05978	3.0
173.13336	1.0
175.14708	0.5
179.03410	1.6
181.12357	0.4
183.11668	1.1
187.11092	0.5
187.14830	0.7
188.97025	0.4
190.97891	0.4
191.07021	0.9
193.15854	0.5
197.13239	1.1
199.14825	3.2
201.12761	0.6
211.07619	0.8
215.06995	2.0
221.15363	0.7
229.08485	0.7
239.07033	1.0
239.18004	1.3
257.08105	88.2
257.15359	1.4
257.19016	5.2
257.22684	1.6
257.26764	0.5
258.08490	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0809
Annotation	Hydrangenol
Peak:m/z	Relative Intensity
53.03946	3.8
53.61071	1.0
63.15908	1.0
67.05489	1.2
69.77737	6.3
72.01535	1.0
77.77216	1.1
79.05493	2.2
91.05488	15.1
95.04971	46.4
97.90158	0.9
105.04544	1.4
105.07027	2.3
107.04961	69.2
111.04459	3.0
115.05443	1.2
119.04950	100.0
121.02901	9.3
123.04437	86.3
133.06517	3.2
135.04422	29.5
136.05151	1.0
137.06003	7.4
141.07013	2.2
147.04419	10.3
153.07027	1.8
155.08551	1.8
159.08089	1.3
163.03937	5.5
165.07018	7.5
165.09030	1.1
169.06516	1.4
181.06438	1.2
183.08069	4.3
199.07533	7.9
211.07550	3.6
227.07034	3.1
229.08635	24.0
239.07050	8.2
257.08093	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	257.0809
Annotation	Hydrangenol
Peak:m/z	Relative Intensity
51.02359	0.7
53.03946	4.1
55.01864	1.2
57.07074	0.9
60.37648	0.8
65.03922	1.3
67.05503	1.5
68.99793	1.7
69.44080	6.5
70.06606	0.9
79.05494	2.3
80.16108	0.8
81.03413	1.8
81.07056	1.6
83.04951	0.9
84.08124	0.8
89.35786	0.8
91.05485	17.2
91.06033	1.7
93.07074	1.1
95.04974	48.7
95.40140	0.7
95.79836	0.8
105.04512	1.1
105.07044	1.4
107.04961	72.2
107.08618	0.8
111.04430	2.0
116.07057	1.9
119.04944	100.0
120.05753	1.8
120.28844	0.7
121.02880	9.1
121.03669	1.1
121.10105	1.0
123.04433	89.7
131.08644	1.1
135.04425	26.8
141.07004	1.9
145.06450	1.5
147.04407	11.7
147.11629	0.9
150.71933	0.8
153.06990	1.0
159.08066	1.0
163.03920	6.0
165.06972	5.2
181.06412	1.4
183.08028	4.1
185.38176	0.8
197.06038	1.9
199.07541	9.3
211.07550	4.9
227.07098	3.7
229.08595	24.0
239.06999	8.5
257.08093	14.9
257.12604	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0809
Annotation	Hydrangenol
Peak:m/z	Relative Intensity
53.03945	3.3
55.01871	1.5
61.76592	0.8
68.54884	0.9
68.99782	1.8
70.95747	1.9
74.43747	0.9
77.03889	1.8
78.54781	0.8
78.63017	1.0
79.05514	2.1
84.74553	0.8
91.05481	16.2
95.04974	44.5
96.26315	0.9
105.04557	1.5
107.04962	69.0
107.28459	0.8
111.04475	2.2
119.04949	100.0
120.05697	2.0
121.02853	6.5
123.04434	90.3
124.04688	1.0
135.04420	30.4
141.06961	1.5
147.04408	9.1
153.07018	1.8
163.03883	6.5
165.06993	5.4
181.06451	1.1
183.08099	3.7
193.06383	1.7
197.06026	1.2
199.07552	7.6
211.07524	3.4
227.07028	3.9
229.08582	22.5
239.07013	7.3
252.08005	0.9
257.08142	11.6
261.38382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0809
Annotation	Hydrangenol
Peak:m/z	Relative Intensity
53.03949	4.6
55.01863	2.5
55.05500	1.6
55.32782	0.9
59.24372	0.7
61.02914	2.7
65.03952	2.0
67.05491	2.3
68.99767	1.8
69.07056	1.1
71.25926	0.9
71.26240	1.1
73.02908	0.7
77.03934	1.0
79.05485	3.4
81.03416	1.2
81.07045	4.7
83.04985	0.8
91.03975	1.6
91.05488	16.5
93.07044	2.2
95.04977	46.2
95.08588	1.3
98.06038	2.7
101.91346	0.8
105.04524	1.1
105.07037	1.1
107.04961	68.4
107.08598	1.9
109.06492	1.2
109.10123	1.2
111.04447	1.6
111.08075	4.8
119.04949	100.0
120.05722	2.8
121.02888	7.6
121.06468	1.5
123.04436	91.4
123.08064	1.3
129.22951	0.8
133.10155	1.2
135.03403	1.8
135.04427	29.6
135.11697	0.9
137.05991	2.0
141.06966	1.9
147.04410	12.0
153.06989	1.2
155.08594	1.1
157.06514	0.9
159.08035	1.1
163.03923	5.7
165.06993	5.3
169.06537	1.1
169.32095	0.8
171.08060	0.8
178.00795	0.9
181.06468	1.3
183.08095	2.1
197.06013	1.3
199.07530	6.6
211.07529	4.2
211.09639	2.1
227.07007	3.4
229.06261	1.2
229.08601	23.7
232.28174	0.9
239.07072	8.6
239.09232	1.3
257.05405	1.1
257.08069	14.2
257.12357	1.9
257.15253	1.0
257.19412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.3
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
55.05517	0.3
57.03451	0.2
57.07080	6.1
58.06342	0.2
58.06591	1.8
60.08167	23.2
62.52344	0.1
67.05516	0.4
69.07065	0.3
71.08636	2.7
71.51421	0.2
71.51795	0.2
79.05531	0.2
80.05841	0.3
81.07070	0.2
85.10181	1.0
91.05495	0.3
93.07079	0.2
98.98425	0.1
99.04420	0.2
102.09171	0.2
107.20609	0.1
136.12070	0.2
138.13644	0.1
141.97105	0.2
177.51970	0.2
203.43961	0.2
213.44138	0.1
247.42017	0.1
248.99390	0.2
256.30005	100.0
257.18857	0.2
257.30322	1.2
261.62979	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	256.9647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	11.2
61.07656	0.3
65.67628	0.3
70.88378	0.7
71.95268	3.0
79.64031	0.3
81.61098	0.4
98.97589	100.0
101.00906	0.5
116.98627	32.0
119.01922	0.7
129.62033	0.3
130.93306	1.6
134.99664	5.7
140.00238	0.6
153.00650	0.6
172.94379	5.2
190.89575	0.3
190.95416	2.0
214.95474	2.5
232.96484	4.1
250.97522	1.3
251.49399	0.8
251.99138	0.5
256.96466	12.9
258.96323	0.6
263.02933	0.4
274.97522	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.081
Annotation	Hydrangenol
Peak:m/z	Relative Intensity
53.03953	3.8
55.01887	1.1
65.03948	0.9
67.05505	2.3
67.57760	0.8
68.99767	1.0
69.16046	7.3
77.03949	1.4
79.05500	2.3
91.04972	1.3
91.05491	15.2
93.07034	1.2
95.04978	48.3
105.04525	1.1
105.07048	3.8
107.04964	68.7
109.02888	0.7
111.04459	2.5
119.04953	100.0
120.05750	1.9
121.02880	7.7
123.04439	88.8
133.06529	5.7
135.04428	28.7
136.05130	1.1
137.05980	10.9
137.09605	0.8
141.06985	1.8
147.04424	10.4
153.07045	1.4
163.03918	5.7
165.07056	4.7
165.09184	2.1
181.06480	2.0
183.08087	4.0
193.06459	1.3
197.06030	1.4
199.07532	8.7
210.06697	0.9
211.07591	3.9
215.07033	1.0
221.11925	1.0
225.09206	1.2
227.06978	3.7
229.08612	21.4
239.07031	8.9
249.69574	0.7
257.08112	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	256.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36612	0.3
51.02385	0.3
54.83163	0.3
55.01876	1.0
55.05513	0.8
56.05037	0.6
56.96570	7.3
57.03441	2.7
57.07068	0.4
58.66586	0.3
60.08168	0.3
61.02930	2.2
68.05020	0.4
69.03436	4.2
69.07078	0.6
70.06594	1.8
70.98141	2.1
71.01361	0.5
71.05000	0.7
71.95270	0.7
72.08160	8.6
72.08548	0.6
72.47540	0.3
72.58386	0.3
73.02924	2.4
77.00948	0.3
79.01858	1.0
81.03420	1.8
81.04569	0.3
82.06590	0.6
83.04975	1.0
83.06098	0.3
84.04519	0.9
84.08152	1.6
84.95977	0.3
85.02912	7.1
85.06564	0.6
86.09724	0.9
87.04469	1.2
91.05443	0.3
94.06578	0.4
95.05000	0.6
95.06107	0.5
97.01422	0.9
97.02904	5.4
98.03236	0.4
98.97594	11.5
99.04490	1.1
100.02486	0.9
101.00896	2.6
101.02365	0.6
101.99744	0.4
103.02459	0.4
107.82733	0.3
108.04437	0.3
109.02872	1.6
110.06041	0.4
110.07176	2.1
110.09697	0.6
110.97583	1.8
111.02961	0.4
111.04453	1.0
111.52664	0.3
112.07639	0.6
113.00910	0.9
113.02428	0.3
115.00668	0.3
115.02463	2.7
115.03917	0.5
115.65636	0.3
116.98622	5.0
117.01891	0.5
117.04044	0.5
119.01943	3.9
121.01617	0.3
121.02892	0.4
122.06046	3.9
123.05591	0.3
124.03958	1.3
124.07652	0.9
125.02399	0.6
126.05528	0.4
127.02412	0.7
127.03942	2.1
128.02455	0.4
128.98671	1.5
129.01872	0.5
129.04018	0.5
130.08653	0.4
131.00203	0.8
131.01900	2.4
132.02020	0.5
132.03421	0.6
133.01610	0.4
133.03442	1.1
134.99631	1.5
135.02975	0.3
136.93094	0.3
137.02982	0.5
140.02365	0.4
140.07054	1.0
143.00237	0.6
143.01939	1.8
143.03380	2.3
145.03479	1.7
145.05002	0.9
146.99666	0.9
147.01366	0.5
147.03070	0.4
150.09158	6.1
152.10722	2.0
153.01842	57.8
153.02843	2.6
153.05827	1.4
154.02155	0.6
154.96559	0.6
155.01927	1.2
156.06541	0.4
157.03499	1.0
158.99680	0.9
159.03276	0.8
159.05008	0.4
160.06636	0.4
161.01337	0.4
161.02972	1.8
161.04462	0.5
161.06604	1.7
162.06479	0.5
167.11835	1.4
168.03485	0.4
168.10243	2.3
169.03432	1.1
170.04927	1.7
170.99736	0.5
171.01378	0.5
172.08157	0.4
172.97569	1.6
173.01366	0.4
173.02965	1.5
174.55066	0.4
175.02869	0.7
175.04497	1.7
177.00742	0.4
177.02716	0.3
177.04266	0.6
182.03423	0.6
183.05103	0.6
184.04895	1.1
185.02979	0.7
185.06519	0.4
186.04494	0.5
187.02792	0.7
187.04556	0.8
188.06003	2.2
189.00816	0.6
189.02464	1.1
189.04080	0.8
190.98671	2.8
191.02335	0.3
191.03944	1.1
191.05693	0.4
193.03485	0.4
196.01288	1.1
196.02913	0.4
197.04469	100.0
198.04819	1.3
200.04460	0.4
201.00822	0.5
203.04045	1.0
205.01872	0.5
205.03734	0.6
206.02563	0.4
214.03918	2.4
215.00449	0.6
215.04045	0.8
218.98157	1.4
219.01785	0.7
221.03015	0.7
221.05070	0.8
221.16525	1.8
228.13408	0.4
232.04930	3.8
232.96443	0.5
232.99628	0.8
233.01573	3.2
233.05168	0.4
233.10567	0.4
238.19142	3.0
245.04938	0.5
251.02571	5.2
256.03043	7.0
256.06702	0.6
256.11804	16.1
256.16544	1.3
256.20212	3.4
256.26459	0.4
256.96436	0.9
257.05347	1.4
274.04019	2.1
274.97531	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	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03945	6.7
55.01874	4.3
55.05271	2.4
55.05513	33.7
57.03441	58.0
57.07074	7.9
67.05508	88.4
69.02740	1.7
69.07072	25.4
69.36883	1.8
71.01353	6.2
71.05003	8.4
71.51530	1.9
71.51933	2.3
72.82001	1.6
79.05498	78.2
81.03429	12.2
81.07064	46.1
83.04992	28.7
83.08624	9.3
85.06538	6.5
91.05487	34.6
93.07048	95.8
95.04980	5.5
95.08611	17.7
97.06542	23.0
97.10162	15.5
98.98476	28.3
99.08102	3.9
100.98917	1.8
105.07035	9.2
107.04955	3.8
107.08598	58.6
109.10154	11.9
111.08069	3.3
117.07034	7.3
119.08589	12.5
121.06541	2.9
121.10146	13.4
125.09650	3.5
129.07088	1.9
130.07785	2.5
133.10132	6.9
135.08046	3.1
135.11700	100.0
137.09616	4.2
143.08549	3.7
145.10098	17.5
148.97992	2.0
151.11169	2.4
153.12758	5.1
157.10109	1.9
163.11189	14.1
171.11708	1.7
181.12230	15.0
189.86705	1.8
199.13380	2.2
247.13228	1.7
249.13962	1.9
255.10313	2.1
255.15820	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90029	1.6
53.03942	5.6
55.01875	4.3
55.05515	27.9
56.55276	1.7
57.00330	1.6
57.03444	55.8
57.07075	5.7
65.03929	4.7
67.05511	84.4
69.03416	2.7
69.07076	28.7
69.12174	1.8
69.22498	6.0
69.22921	10.3
71.01348	5.7
71.04994	7.1
79.05501	83.2
81.03419	10.9
81.07063	41.3
83.04990	25.1
83.08617	7.0
85.06543	7.7
91.05492	35.2
93.07053	82.9
93.07645	3.7
95.04971	7.5
95.08617	16.0
97.06541	22.3
97.10193	12.0
98.98478	36.8
99.08075	4.7
105.07034	8.4
107.04929	3.2
107.07880	3.2
107.08605	52.9
108.10835	1.6
109.06518	3.3
109.10148	14.2
111.04449	1.9
111.08080	3.6
117.07037	7.6
119.08587	9.1
120.85191	1.6
121.06512	2.1
121.10141	12.4
125.09621	4.6
130.07755	2.6
133.10138	7.5
135.08073	2.2
135.11705	100.0
137.09619	3.5
138.65347	2.0
143.08482	2.4
145.10121	15.7
149.89204	2.0
153.12787	2.6
163.11168	13.2
181.09999	1.9
181.12244	13.7
185.19017	1.8
191.62506	1.9
255.13348	3.0
255.15800	44.4
255.21188	1.8
267.93036	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1594
Annotation	Gallicynoic acid A
Peak:m/z	Relative Intensity
53.03933	7.1
53.75789	2.3
55.01865	8.2
55.05265	2.2
55.05513	36.5
57.03440	57.0
57.07070	8.7
65.03943	2.7
67.05508	97.6
69.03423	5.3
69.07071	41.1
69.24219	1.9
71.01340	6.6
71.04992	12.6
71.08633	2.4
71.50756	2.8
72.08154	3.6
77.03909	2.3
79.05497	80.0
81.03430	10.1
81.06591	3.8
81.07059	62.8
83.04988	24.7
83.08633	11.0
85.02908	6.0
85.06534	15.3
91.05479	38.5
93.07050	97.4
93.07643	4.7
95.04973	14.5
95.08612	80.1
97.06538	42.1
97.10174	21.2
98.97536	3.3
98.98473	69.9
99.04452	2.4
99.08078	5.8
100.98873	4.9
102.20200	1.9
105.07036	16.0
107.04952	5.2
107.07883	3.2
107.08604	63.8
109.06519	5.7
109.10158	18.2
111.04443	5.6
111.08086	7.2
111.11700	2.3
113.05984	5.8
113.09619	2.3
115.04004	3.0
117.07053	9.9
119.05209	1.9
119.08588	18.0
120.88589	2.0
121.06516	6.3
121.10149	24.2
123.08083	13.9
123.11691	6.4
125.05992	11.0
125.09651	6.7
127.03899	2.9
131.08617	4.2
131.14494	2.1
133.10138	9.1
135.08057	4.9
135.11699	100.0
137.09625	4.6
139.07550	10.0
143.08549	6.7
145.10146	24.1
147.08066	2.2
147.11691	3.2
149.13264	6.0
153.01830	7.0
153.12682	4.7
155.08586	2.7
157.06555	2.4
157.10139	6.2
159.11722	13.6
161.13260	2.6
163.11180	13.8
167.07138	3.9
167.08530	3.8
169.10164	3.7
171.11674	5.0
173.13278	3.4
177.12770	4.4
181.06442	3.8
181.10155	3.1
181.12231	18.2
185.13353	2.7
191.14328	6.4
195.08009	3.1
195.11693	2.9
195.13870	3.1
197.13229	4.2
199.11160	2.6
199.14865	3.2
201.12787	3.8
201.16374	2.1
209.13399	2.3
211.15108	2.2
213.12729	2.4
213.16342	3.3
219.13817	8.2
219.17494	3.7
227.06880	3.6
237.14726	15.8
255.06490	18.2
255.11388	4.1
255.13698	5.9
255.15759	40.9
255.21272	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	255.1592
Annotation	Russulanorol
Peak:m/z	Relative Intensity
50.01872	1.9
53.03943	6.0
55.01867	4.8
55.05515	31.3
57.03440	55.2
57.07083	8.6
64.95998	1.4
65.03939	1.9
67.05511	89.0
69.07072	23.6
70.02900	7.2
71.01352	3.9
71.05003	8.8
74.86498	1.3
75.56760	1.5
79.05497	80.2
81.03416	11.0
81.06590	2.7
81.07063	40.5
83.04984	25.4
83.08627	7.9
85.06541	6.1
91.05482	34.2
93.07050	82.7
94.07373	2.0
95.04961	6.1
95.08615	12.7
97.06531	22.3
97.10158	18.0
98.98474	32.8
99.08113	2.8
100.07624	6.1
100.98888	2.3
105.04518	2.1
105.07030	8.3
107.08598	57.0
109.06525	2.3
109.10196	11.0
111.08072	4.8
117.07024	10.5
119.08584	11.4
121.06522	2.6
121.10154	11.9
123.19478	1.6
125.09623	3.8
133.10136	6.6
135.08041	2.4
135.11699	100.0
137.09660	3.1
143.08583	3.4
145.10138	16.3
151.59221	1.5
153.12750	4.0
157.10133	2.1
163.11218	11.9
181.12238	13.3
255.06630	2.9
255.13307	3.3
255.15833	51.4
255.25121	25.1
256.26367	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	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01872	1.9
53.03943	6.0
55.01867	4.8
55.05515	31.3
57.03440	55.2
57.07083	8.6
64.95998	1.4
65.03939	1.9
67.05511	89.0
69.07072	23.6
70.02900	7.2
71.01352	3.9
71.05003	8.8
74.86498	1.3
75.56760	1.5
79.05497	80.2
81.03416	11.0
81.06590	2.7
81.07063	40.5
83.04984	25.4
83.08627	7.9
85.06541	6.1
91.05482	34.2
93.07050	82.7
94.07373	2.0
95.04961	6.1
95.08615	12.7
97.06531	22.3
97.10158	18.0
98.98474	32.8
99.08113	2.8
100.07624	6.1
100.98888	2.3
105.04518	2.1
105.07030	8.3
107.08598	57.0
109.06525	2.3
109.10196	11.0
111.08072	4.8
117.07024	10.5
119.08584	11.4
121.06522	2.6
121.10154	11.9
123.19478	1.6
125.09623	3.8
133.10136	6.6
135.08041	2.4
135.11699	100.0
137.09660	3.1
143.08583	3.4
145.10138	16.3
151.59221	1.5
153.12750	4.0
157.10133	2.1
163.11218	11.9
181.12238	13.3
255.06630	2.9
255.13307	3.3
255.15833	51.4
255.25121	25.1
256.26367	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	255.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40302	13.7
56.96538	14.8
57.03434	24.5
61.02917	21.7
69.03416	24.1
69.24759	17.3
69.49907	75.4
69.50309	38.3
73.02917	38.1
85.02903	50.2
91.11691	17.4
97.02867	38.7
98.98460	100.0
101.00915	28.0
102.02393	15.4
119.01967	22.4
119.30389	14.8
123.05499	24.6
126.98802	19.2
127.03940	29.1
145.03522	19.4
161.02971	17.2
185.02972	24.8
201.93584	18.1
205.01704	19.7
232.53918	14.3
245.05113	29.2
255.06404	47.5
256.03320	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01822	2.8
52.51469	2.4
56.32341	2.5
56.96542	2.8
58.19882	2.5
61.02937	13.1
69.81139	8.0
69.81543	7.0
71.01341	11.0
71.04997	20.4
75.04480	19.4
87.04488	6.6
91.05504	3.0
98.98502	18.3
103.03951	24.2
107.04894	2.9
120.08136	13.3
131.03435	5.5
138.55003	2.7
153.01823	4.0
159.02899	66.3
187.02348	3.5
208.13315	11.6
210.14940	9.0
219.05014	100.0
254.13794	13.2
254.17557	8.4
260.85089	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	253.1436
Annotation	a ubiquinol
Peak:m/z	Relative Intensity
53.03939	2.0
55.01876	11.2
55.05306	0.9
55.05516	9.1
57.03435	3.8
57.07082	1.0
65.03941	1.7
67.05509	41.7
69.03420	3.0
69.07072	10.6
70.46078	0.9
71.04985	3.9
71.51279	1.0
71.51655	1.0
74.93683	0.8
79.05067	1.3
79.05502	18.1
81.03417	6.8
81.07065	37.8
83.04988	7.8
83.08605	1.9
85.02909	1.3
85.06544	5.2
87.02209	0.8
91.05489	31.7
93.07050	11.3
95.04972	6.3
95.08607	6.4
97.02901	1.0
97.06521	2.3
98.98473	86.9
99.04478	2.1
99.08088	1.0
100.98913	0.9
105.07040	27.7
107.04942	2.0
107.08604	23.8
109.06537	4.1
109.10168	40.1
113.06000	2.3
116.99548	1.1
117.07045	1.1
117.96729	0.9
119.08575	2.6
123.11727	9.1
127.07552	1.9
131.08563	2.5
133.10143	53.1
134.10402	0.9
135.11623	1.1
143.08549	1.7
151.11192	30.4
161.09648	3.1
161.19542	0.8
169.12215	4.8
174.99232	1.6
176.98952	1.1
179.10670	1.8
197.11731	1.5
199.74898	0.9
227.10696	1.0
229.32831	0.8
238.62900	0.8
253.14363	100.0
254.14684	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	253.1436
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
51.21934	0.7
53.03953	2.5
55.01874	9.9
55.05520	6.6
57.03440	3.4
57.07075	1.3
61.24711	0.6
62.93301	0.6
65.03956	1.0
67.05509	35.0
69.03436	2.8
69.07072	8.9
69.63905	2.0
69.64319	2.5
71.04999	2.9
79.05498	15.0
79.05833	0.4
81.03416	4.6
81.07059	31.0
82.47157	0.7
83.04987	7.0
83.08625	2.5
85.06552	4.2
91.05492	25.2
93.07048	10.8
95.04960	5.0
95.08618	6.5
97.02906	0.9
97.06522	2.1
98.98472	100.0
99.04466	1.3
100.98869	1.9
105.07037	21.9
107.04948	1.5
107.08595	16.8
109.06509	3.7
109.10164	33.0
113.06029	2.4
116.99526	1.4
117.06980	1.2
119.08584	2.5
121.10160	1.2
123.08064	1.2
123.11722	5.5
127.07468	1.4
131.08592	1.4
133.06543	1.3
133.10141	41.1
143.08649	0.8
145.06509	0.7
151.11195	24.7
161.09642	2.2
169.12222	3.0
174.99245	2.0
176.98975	1.3
179.10686	1.3
183.11766	1.1
193.98889	0.7
195.11609	0.8
197.11725	2.3
202.69112	0.7
214.00218	0.7
215.12811	1.0
253.14345	79.8
254.14456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00391	0.6
55.01866	1.7
55.05495	2.2
56.05026	0.7
56.96298	1.2
56.96564	13.9
57.03436	3.8
60.04525	0.6
60.95852	0.7
61.02932	3.6
64.00879	0.6
67.05497	1.7
67.67782	0.6
69.03430	7.9
69.07061	0.8
70.06588	3.5
70.43053	0.7
70.98111	0.8
71.04974	1.6
71.50192	0.6
71.50661	0.8
71.69884	0.5
71.95262	0.9
72.04501	0.6
72.08153	1.2
73.02918	5.2
73.06554	4.6
79.01850	3.7
79.05491	0.8
80.05014	0.9
81.03425	3.3
81.04538	5.1
81.07026	1.7
83.04978	1.1
83.06081	0.9
84.04491	2.6
84.08153	3.2
84.96014	2.3
85.02910	18.9
85.06491	0.7
86.03248	0.7
86.09678	0.8
87.04447	1.4
91.05488	1.3
93.07037	1.1
94.06567	0.7
95.04951	1.4
95.06097	1.0
95.28560	0.6
96.08102	0.7
97.02897	9.2
97.99166	0.7
98.97585	17.2
98.98454	100.0
99.04437	1.8
99.97968	0.8
100.98927	0.8
101.00851	2.8
103.05460	2.5
107.01306	1.2
107.04958	3.4
109.02869	3.6
110.07166	5.5
110.97572	4.6
111.04501	0.9
111.51874	0.6
112.07591	1.7
112.99153	0.9
113.00860	0.7
115.03922	0.8
116.98615	7.5
116.99515	1.7
119.01901	5.3
119.04932	0.9
120.08112	28.5
121.02888	0.7
122.06246	0.7
122.07147	5.5
123.04408	2.4
123.05543	1.3
124.03902	0.8
124.99118	0.9
125.02317	2.6
126.05511	0.7
127.03936	3.9
128.98634	3.4
129.10226	1.2
131.00172	1.1
131.01895	1.4
132.95784	0.7
134.99634	1.6
136.06125	1.0
136.07565	2.9
136.93085	1.0
136.98506	1.1
137.02339	2.0
138.05452	0.8
139.02420	1.3
140.02431	0.8
143.00131	2.9
143.01889	1.3
143.03365	3.0
144.98045	0.7
145.01614	1.0
145.04953	2.4
146.99628	1.9
147.04375	0.8
149.01160	0.8
149.02203	0.7
149.07054	1.8
150.05525	3.5
151.04083	0.7
152.98602	1.1
153.01837	43.5
153.02916	2.3
154.02174	1.6
154.94167	1.5
155.01894	1.5
157.01526	0.9
157.03468	2.6
158.99706	4.6
159.03087	1.2
161.01187	1.8
162.05594	0.7
162.53775	1.2
163.12268	1.1
165.05464	1.0
166.08701	0.8
167.00140	0.7
168.03593	1.2
169.01498	0.8
170.99646	2.4
171.02917	0.7
172.95206	1.1
173.02898	0.9
174.99094	1.4
176.99084	1.3
177.00705	3.3
177.04158	1.9
182.08093	1.2
182.99774	0.8
183.01413	1.0
184.04564	1.5
185.01300	1.4
185.02963	1.9
187.02615	1.8
188.07684	0.7
189.00690	1.6
191.02187	0.8
191.08607	1.0
192.99947	1.3
193.10838	8.5
197.11691	1.6
200.98604	0.7
201.00598	1.3
202.05527	0.9
205.00020	1.1
208.14447	2.4
209.03218	1.2
209.05804	0.8
210.99123	1.0
211.00893	9.9
211.04427	1.0
212.07841	1.4
213.00673	0.7
218.99858	0.7
219.01765	4.0
221.03395	0.7
221.05838	0.7
227.02097	1.1
227.04126	1.0
229.00139	2.4
229.01817	2.8
230.03322	0.8
230.05191	0.9
230.08719	0.8
231.01657	0.9
235.00890	0.9
237.02902	3.0
239.01776	1.0
248.03276	1.3
248.98969	1.1
253.01947	2.8
253.04050	1.1
253.08273	2.5
253.13165	5.9
254.14975	2.7
271.04977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09843	0.8
70.76055	1.0
70.76398	1.8
87.00828	2.9
91.05491	1.2
93.07043	2.0
98.98492	1.9
103.05466	7.3
118.06534	9.8
120.08115	100.0
121.08443	1.7
128.05020	1.0
136.06158	1.5
143.97342	0.8
146.06024	19.0
166.08679	2.0
168.86212	0.8
188.07095	18.6
188.08763	1.0
192.06616	1.2
206.08141	58.7
207.08521	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37381	0.6
70.02949	0.9
70.53778	0.9
79.05489	1.2
87.00835	2.6
91.05485	1.3
93.07047	2.1
98.98488	2.7
103.05468	7.4
104.03490	1.3
107.04969	3.4
107.08606	0.6
109.06470	0.6
118.06551	9.5
120.08115	100.0
121.08459	0.7
128.05000	1.4
131.04950	1.7
136.06192	6.8
140.45456	0.5
146.06020	17.2
148.07547	0.7
149.06030	0.7
161.35817	0.6
166.08684	2.0
176.18373	0.5
188.07091	19.7
192.06541	2.6
206.08142	52.6
207.08447	0.8
234.07712	0.6
234.13452	1.2
252.08908	0.7
252.14523	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	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29414	0.4
65.03940	1.2
69.85514	2.2
70.02951	3.4
74.02445	23.2
79.05499	0.6
81.07056	1.6
81.35592	0.4
84.04493	0.6
88.03996	45.4
88.67121	0.5
91.05485	100.0
92.05820	0.7
94.04038	0.6
97.26532	0.5
98.98473	10.8
105.03406	1.0
105.07141	0.6
116.03465	14.6
119.03537	0.8
120.08088	2.3
126.05511	0.5
134.04492	61.0
136.06190	49.0
136.07458	1.2
136.07793	1.0
137.04553	0.5
137.81599	0.6
144.54356	0.7
146.06012	1.4
158.59700	0.5
181.51111	0.5
206.05159	0.5
206.08115	2.0
234.07600	3.2
234.11365	0.8
234.13457	6.7
252.05737	0.8
252.08702	1.5
252.14514	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	251.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01874	1.3
55.05511	3.5
57.03433	1.1
57.07079	1.4
57.31142	0.6
59.05005	0.7
61.02921	1.6
67.05502	5.9
69.03451	3.4
69.07080	4.5
69.30896	1.4
69.31299	3.2
71.05004	1.4
73.02919	0.6
79.05498	5.2
81.03410	2.0
81.07057	10.3
83.04986	2.8
83.08611	1.3
85.02905	0.7
85.06555	1.3
87.39045	0.5
91.05498	4.9
93.07052	8.8
95.04958	3.6
95.08617	9.5
97.02844	1.2
97.06551	1.8
98.98472	100.0
99.04470	0.9
101.76925	0.5
103.04019	0.7
103.05462	0.6
105.06358	0.5
105.07030	10.2
107.04961	1.4
107.08608	10.0
109.06525	2.3
109.10165	3.8
111.04430	0.9
111.08080	1.1
111.11800	0.6
115.03876	0.7
115.05459	0.7
116.99487	1.5
117.07044	3.4
119.08588	8.5
121.06500	1.6
121.10133	4.1
123.08078	2.1
123.11692	1.5
125.05979	1.0
129.06993	1.1
131.08583	7.0
133.06511	1.9
133.10121	4.2
135.08031	2.4
135.11690	4.2
137.09659	0.9
137.11559	0.6
137.13168	0.6
139.04045	0.6
143.08583	2.4
145.06483	1.0
145.10117	6.7
147.08072	1.2
147.11697	8.0
149.09645	1.6
149.13284	3.0
151.11255	0.8
155.08562	1.1
157.10130	1.6
159.08087	1.3
159.11693	5.1
161.09692	1.3
161.13272	4.2
163.07552	0.8
163.11200	1.0
163.14839	1.9
165.09120	0.6
169.10078	1.2
171.11670	0.9
173.09653	1.3
173.13280	4.5
174.99225	3.1
177.09058	1.4
177.12770	3.0
187.11107	0.7
187.14801	2.4
189.12735	2.6
191.10725	0.9
191.14316	2.9
195.10149	0.7
197.13191	1.2
203.14351	0.7
205.15906	1.0
209.13257	0.8
215.14398	3.2
221.15475	1.0
233.11800	0.7
233.15376	7.4
233.18854	0.8
251.13896	1.4
251.16411	19.6
251.20045	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03939	0.9
55.01874	1.3
55.05511	3.5
57.03433	1.1
57.07079	1.4
57.31142	0.6
59.05005	0.7
61.02921	1.6
67.05502	5.9
69.03451	3.4
69.07080	4.5
69.30896	1.4
69.31299	3.2
71.05004	1.4
73.02919	0.6
79.05498	5.2
81.03410	2.0
81.07057	10.3
83.04986	2.8
83.08611	1.3
85.02905	0.7
85.06555	1.3
87.39045	0.5
91.05498	4.9
93.07052	8.8
95.04958	3.6
95.08617	9.5
97.02844	1.2
97.06551	1.8
98.98472	100.0
99.04470	0.9
101.76925	0.5
103.04019	0.7
103.05462	0.6
105.06358	0.5
105.07030	10.2
107.04961	1.4
107.08608	10.0
109.06525	2.3
109.10165	3.8
111.04430	0.9
111.08080	1.1
111.11800	0.6
115.03876	0.7
115.05459	0.7
116.99487	1.5
117.07044	3.4
119.08588	8.5
121.06500	1.6
121.10133	4.1
123.08078	2.1
123.11692	1.5
125.05979	1.0
129.06993	1.1
131.08583	7.0
133.06511	1.9
133.10121	4.2
135.08031	2.4
135.11690	4.2
137.09659	0.9
137.11559	0.6
137.13168	0.6
139.04045	0.6
143.08583	2.4
145.06483	1.0
145.10117	6.7
147.08072	1.2
147.11697	8.0
149.09645	1.6
149.13284	3.0
151.11255	0.8
155.08562	1.1
157.10130	1.6
159.08087	1.3
159.11693	5.1
161.09692	1.3
161.13272	4.2
163.07552	0.8
163.11200	1.0
163.14839	1.9
165.09120	0.6
169.10078	1.2
171.11670	0.9
173.09653	1.3
173.13280	4.5
174.99225	3.1
177.09058	1.4
177.12770	3.0
187.11107	0.7
187.14801	2.4
189.12735	2.6
191.10725	0.9
191.14316	2.9
195.10149	0.7
197.13191	1.2
203.14351	0.7
205.15906	1.0
209.13257	0.8
215.14398	3.2
221.15475	1.0
233.11800	0.7
233.15376	7.4
233.18854	0.8
251.13896	1.4
251.16411	19.6
251.20045	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1644
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
55.01874	1.0
55.05507	3.2
57.03423	0.6
57.07075	0.8
59.05003	0.7
60.58618	0.4
64.76394	0.4
65.03945	1.0
67.05509	16.8
69.03432	9.2
69.07069	3.8
71.04601	1.1
71.04997	22.3
71.51480	0.7
77.01591	0.8
79.05494	5.0
81.03399	0.6
81.07059	11.3
83.04974	2.3
83.08616	1.0
85.06553	1.5
91.05492	3.4
92.26347	0.5
93.07049	8.4
95.04976	25.9
95.08615	10.7
95.73257	0.4
97.02898	0.5
97.06537	1.8
97.10141	1.0
98.77971	0.5
98.98473	100.0
99.04474	0.5
99.08078	0.8
105.07046	6.4
107.04913	1.0
107.08607	16.1
109.06528	4.3
109.10172	6.5
111.04382	0.5
111.08095	2.0
112.60903	0.4
113.06010	7.6
115.05518	0.6
116.99509	2.0
117.07030	1.4
119.08569	4.2
121.06490	3.9
121.10152	8.6
121.10941	0.9
123.08068	7.6
123.11713	2.2
125.06040	0.7
125.09641	1.5
131.08577	3.0
133.10120	6.5
135.04399	0.5
135.08076	4.1
135.11723	3.0
137.09660	2.7
137.13266	0.6
138.10403	1.2
139.07535	0.7
139.11217	2.8
143.08528	0.6
145.06557	0.7
145.10135	4.2
147.11717	4.6
147.64201	0.5
149.05917	0.5
149.09615	4.0
149.13260	1.6
151.11217	1.7
153.09126	1.1
157.10121	0.7
158.99716	0.6
159.08037	0.9
159.11707	2.1
161.09651	0.6
161.13232	1.1
163.07590	0.7
163.11197	0.9
163.14856	0.9
167.10669	3.9
169.10144	0.5
171.11710	0.8
173.01320	0.5
173.09589	1.2
173.13313	2.2
174.99257	3.7
175.11240	2.1
177.05597	0.4
177.09116	7.6
177.16414	0.6
187.11295	0.7
187.14796	2.6
189.12813	1.3
189.16347	1.0
191.07033	0.8
191.10686	0.8
191.14311	4.6
191.17979	1.1
193.12148	0.6
205.08675	2.2
205.12296	1.2
205.15913	7.7
215.14348	2.0
215.18008	1.7
233.08183	1.3
233.15384	11.0
233.19098	1.8
251.05000	0.6
251.12672	1.8
251.16423	9.6
251.19974	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	251.1642
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
53.03937	0.7
55.05503	1.6
56.96555	1.2
57.07067	1.7
59.04998	0.8
64.19437	0.4
65.03929	0.5
67.05507	3.8
69.03442	2.0
69.07071	2.6
70.06576	0.4
71.01340	0.4
71.04993	6.5
71.08633	0.9
71.51672	0.7
79.05496	3.4
81.03449	0.7
81.07049	4.4
83.04980	2.2
83.08619	1.1
85.02892	1.0
85.06536	1.4
91.05492	3.3
93.07047	3.7
95.04468	0.3
95.04947	2.3
95.08614	4.6
97.02930	0.4
97.06533	1.7
98.98466	100.0
99.08104	0.8
105.07030	3.4
107.04942	0.7
107.08602	3.9
109.06510	1.5
109.10149	2.6
109.63465	0.3
111.04471	0.4
111.08076	1.4
113.06024	0.9
115.05477	0.4
116.06287	0.4
116.98654	0.9
116.99514	1.6
117.07029	1.4
119.08585	4.7
121.06503	1.3
121.10143	3.6
123.03516	0.4
123.08089	1.4
123.11726	1.4
125.06004	3.3
125.09673	0.8
130.07735	0.6
131.04851	0.4
131.08553	2.1
133.06447	0.5
133.10143	1.3
135.08052	2.0
135.11694	1.7
137.05988	0.5
137.09610	4.8
139.07564	0.4
140.01207	0.4
145.10127	3.3
146.33310	0.4
147.08067	5.3
147.11703	2.5
149.09634	2.0
149.13229	0.5
151.07567	1.1
151.11186	0.6
151.14825	0.6
153.09192	0.4
155.10646	0.5
157.10077	0.6
158.99686	0.8
159.08081	0.6
159.11736	1.2
161.05940	0.4
161.13277	0.6
163.07649	0.5
163.11177	5.6
163.14827	0.6
165.09125	0.4
167.08629	0.4
173.13263	0.8
174.99254	3.5
175.11218	1.2
177.09117	0.6
177.12756	0.4
179.14331	2.3
181.12256	1.3
187.14847	1.4
189.12791	0.5
191.10706	0.5
191.14294	1.4
193.12216	0.6
196.08583	1.3
196.58705	0.5
205.12460	0.6
205.15900	1.0
207.13867	0.7
215.14375	1.1
217.09090	0.5
230.08087	1.1
233.15363	5.1
239.08516	0.8
246.26289	0.4
250.59415	0.8
251.12781	0.8
251.13638	0.6
251.16397	10.7
251.20125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
55.05507	0.8
56.96563	2.5
57.03434	1.7
61.02930	1.0
69.03417	2.9
69.07078	0.8
69.91522	0.6
70.06600	3.7
71.50508	1.0
72.08137	1.0
72.93789	0.7
73.02925	1.4
75.52165	0.5
80.51640	0.5
81.03432	1.7
81.07070	0.8
84.04516	1.0
85.02908	19.4
87.04472	0.6
88.04023	1.1
88.07635	100.0
91.05463	0.9
95.05004	0.8
97.02901	6.8
98.97625	1.9
98.98472	40.2
99.04457	0.7
107.04957	1.7
109.02905	2.1
116.99461	0.7
127.03944	2.5
128.98564	0.7
131.03407	0.6
134.09692	0.7
136.06177	8.4
137.02386	1.1
138.05348	0.5
143.83386	0.6
145.04994	1.7
153.01881	1.0
160.11255	0.6
161.06142	0.6
170.05656	0.6
171.61726	0.6
174.99219	1.1
177.07887	1.8
186.02066	0.8
188.12949	0.8
194.45122	0.6
201.00700	0.8
204.10143	1.3
206.11795	5.8
226.96390	1.8
226.98621	0.8
244.99815	0.9
250.10693	4.1
250.13016	2.8
250.21487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.05500	1.2
55.73930	0.7
57.03428	1.3
65.03941	0.8
67.05502	1.4
69.03405	2.2
69.07050	0.7
69.57022	4.5
79.05474	2.0
81.03432	1.1
81.07045	2.0
81.25024	0.8
85.02894	1.9
87.00844	0.8
89.00704	0.7
91.05476	9.6
93.07050	1.3
95.04948	1.0
95.08625	0.9
97.02897	1.2
103.05444	1.3
105.07029	5.8
107.04942	1.4
107.08588	1.1
109.02854	1.1
113.76107	0.7
115.05463	5.8
116.06261	4.1
117.07018	3.3
119.08573	1.3
121.06512	1.0
123.04501	0.8
127.03897	0.9
127.05445	1.0
128.06224	9.9
129.07011	24.2
130.07837	1.4
131.04916	2.9
131.08583	21.0
132.05687	1.7
133.06497	4.2
133.10127	1.5
141.07004	10.8
142.07835	4.8
143.04935	1.1
143.06012	0.8
143.08556	3.9
144.05710	10.6
145.06477	6.1
145.10135	0.8
146.07301	3.8
147.04391	2.0
152.06209	2.1
153.06963	2.2
155.06029	2.6
156.05696	2.2
157.06487	9.7
158.07251	2.3
159.08060	31.3
160.05212	1.7
160.08730	0.8
161.05971	4.3
161.09636	8.1
167.07022	1.1
169.06453	1.8
169.07645	3.2
170.07269	11.5
171.08040	7.4
172.05200	3.1
173.06018	4.8
174.06764	2.6
175.07613	3.4
185.06032	0.9
187.07552	18.8
189.05428	3.3
189.09138	8.9
190.06175	0.9
191.06990	1.4
193.08653	0.9
198.06790	1.4
199.07542	2.8
201.05487	1.9
203.07051	6.9
204.07846	13.1
205.08527	2.1
206.09430	1.2
216.07808	3.1
217.08501	1.2
218.09328	1.5
219.10115	1.7
221.08186	1.7
221.11743	3.0
231.10178	6.7
234.08859	0.9
249.11235	100.0
250.11452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01864	0.7
65.03917	0.8
67.05502	1.5
69.03432	1.3
70.95564	0.7
70.95897	1.3
79.05476	1.2
81.03442	0.9
81.07043	0.9
83.04969	0.8
85.02893	1.4
85.18033	0.8
91.05498	8.1
93.07037	1.2
95.04987	1.1
97.02908	1.2
103.05427	1.0
105.07041	4.0
107.04949	1.4
109.06510	0.8
115.05481	5.6
116.06271	3.6
117.07022	3.3
119.04906	0.8
119.08583	2.1
121.10114	0.8
128.06244	10.1
129.07018	21.7
130.07823	1.2
131.04953	2.1
131.08585	17.6
132.05702	1.4
133.06511	3.7
133.10132	2.0
141.06999	8.8
142.07848	4.3
143.08563	3.8
144.05722	9.7
145.06503	4.8
145.10133	0.8
146.07257	2.9
147.04390	1.1
147.08122	0.9
152.06250	0.9
153.07021	2.1
155.06042	2.0
156.05675	2.3
157.06525	9.7
158.07286	2.3
159.04344	0.9
159.08072	26.7
160.05197	1.0
160.08780	0.8
161.06000	3.7
161.09628	7.0
167.07106	0.9
169.06441	1.8
169.07655	3.7
170.07295	8.2
171.04471	1.3
171.08044	7.2
172.05214	2.8
173.06035	4.2
174.06787	3.1
175.07576	2.5
178.06319	0.9
185.05812	1.6
187.07570	17.4
188.08298	1.4
189.05513	3.0
189.09119	9.8
191.07028	1.7
198.06755	1.8
199.07574	2.3
201.05455	1.9
203.07060	6.3
204.07852	9.9
205.08586	1.2
206.09441	0.9
216.07887	3.6
218.09430	2.1
219.10190	1.5
221.11734	2.7
231.10190	5.7
231.13782	1.7
234.08925	1.1
249.11244	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1124
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01872	1.3
57.03424	1.7
60.32860	0.7
62.78917	0.7
64.23640	0.8
66.03602	0.7
67.05496	0.8
69.03407	3.5
69.89792	3.5
70.37139	0.8
71.04970	0.9
79.05489	2.3
81.03413	1.8
81.07052	1.8
82.55233	0.9
83.04974	1.1
85.02887	2.9
87.00819	0.8
89.98656	0.8
91.05476	9.1
93.07011	1.0
95.04943	1.9
95.08627	1.2
96.05111	0.8
97.02902	1.5
98.20856	1.0
99.52566	1.0
103.05456	2.1
103.29447	0.7
105.07039	4.8
107.04958	1.7
107.08565	1.3
109.06513	0.9
111.04439	1.0
115.05450	5.1
116.06245	3.8
116.75037	0.7
117.07028	3.1
119.08586	2.1
121.06480	0.9
121.10122	1.3
126.09193	1.0
127.03938	1.8
128.06238	9.6
129.07016	21.5
130.07806	1.4
130.41040	0.9
131.04944	1.9
131.08569	19.1
133.06503	3.9
133.10115	3.2
135.08055	1.2
135.11806	0.8
141.07002	10.8
142.07785	4.3
143.08569	4.8
144.05710	8.8
145.06493	5.9
145.10152	1.7
146.07193	3.7
147.04433	2.1
147.08023	2.2
149.09610	1.0
151.07535	0.9
152.05641	1.9
153.07024	1.4
155.06007	2.2
156.05687	2.4
157.06508	9.1
158.07262	2.3
159.04471	1.0
159.08066	27.0
160.05179	1.5
161.05983	3.8
161.09622	6.9
167.06961	1.6
169.06439	2.2
169.07748	3.9
170.07263	8.7
171.04369	1.4
171.08076	7.8
172.05217	2.8
173.05963	4.2
174.06776	2.3
175.07541	3.2
178.06229	1.4
185.05882	0.9
186.06688	0.9
187.07549	19.8
188.08205	1.5
189.05482	3.9
189.09120	10.3
190.06253	1.3
191.06978	1.8
193.08594	0.9
198.06828	1.3
199.07529	2.7
201.05421	2.4
203.07016	7.1
204.07829	13.7
205.08530	1.4
216.07886	3.5
217.08646	1.0
219.10112	1.8
221.08121	1.3
221.11728	3.2
231.06528	1.1
231.10207	7.9
249.11227	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
53.03940	1.4
55.01867	0.9
55.05523	1.5
56.96558	1.8
57.03456	0.7
67.05515	3.7
69.03423	3.0
69.07068	1.8
69.17005	6.9
79.05482	3.2
81.03422	1.0
81.07052	2.6
83.04997	1.3
85.02921	1.7
91.05481	11.3
93.07028	3.8
95.04968	2.1
95.08625	3.2
97.02878	2.0
97.06532	2.7
98.97601	3.1
103.05478	1.7
105.07035	6.6
107.04963	2.8
107.08575	2.3
109.06508	1.0
109.10162	3.3
115.05461	6.3
116.06258	4.1
116.98687	0.7
117.07029	3.0
119.04929	1.0
119.08585	3.0
121.06511	1.5
121.10154	1.3
123.08059	1.0
127.03967	0.8
128.06236	11.3
129.07016	22.4
130.07751	1.1
131.00212	0.8
131.04927	2.8
131.08569	19.1
132.05687	1.0
133.06494	3.9
133.10141	4.6
135.11694	1.4
137.06047	0.7
137.09674	1.0
141.07001	11.1
142.07776	4.8
143.04942	1.0
143.08565	5.0
144.04689	1.2
144.05716	10.6
145.06496	5.9
145.10109	1.3
146.07294	3.2
147.04407	2.9
147.08041	1.6
147.11758	1.1
149.13257	0.7
151.03882	0.8
152.06177	0.7
153.01854	2.4
153.06978	2.0
155.06064	2.3
156.05687	1.5
157.06512	11.0
157.10088	1.0
158.07234	3.2
159.08064	27.9
159.11713	0.9
160.05145	1.2
161.06027	4.2
161.09634	8.7
161.13292	0.8
165.09149	0.9
167.07065	1.2
168.05786	0.7
169.06435	1.8
169.07660	3.8
170.07300	8.7
171.04445	1.2
171.08072	7.5
171.11714	0.9
172.05235	3.4
173.01320	0.8
173.05963	4.4
174.06789	2.9
175.07549	3.1
175.11174	1.4
175.14835	0.6
178.06242	1.2
185.05930	1.0
186.06723	0.7
187.07559	19.9
188.08368	0.8
189.05492	3.3
189.09108	9.6
189.12755	0.9
190.06184	0.8
191.07037	1.9
193.08627	1.7
193.10335	0.7
193.12256	0.9
198.06734	1.6
199.07544	2.8
201.05482	1.9
203.07039	7.8
203.10646	1.3
203.14313	1.3
204.07829	15.4
205.05046	0.7
205.08612	2.2
206.09242	1.1
207.13885	0.8
213.12711	0.9
216.07758	3.4
217.08633	0.9
218.09550	1.3
219.10147	2.2
221.04507	1.2
221.08182	1.4
221.11765	4.1
231.10170	8.0
231.13637	1.3
234.08870	1.1
249.11244	100.0
249.15161	2.6
249.16739	2.3
250.11488	1.6
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
55.01880	0.7
56.96556	2.5
57.45413	0.7
58.99857	1.1
63.79050	0.7
69.03453	0.7
70.21196	2.7
70.21584	1.5
70.88438	0.7
70.99842	1.9
72.48358	0.7
72.75773	0.7
82.99838	12.0
85.01403	2.6
89.00887	1.3
97.01379	1.2
98.97589	6.8
101.00887	89.9
102.00954	0.8
103.02437	2.3
108.59471	0.8
110.97598	0.8
110.99252	0.8
113.00893	8.2
115.02418	2.1
116.98613	1.3
119.01927	100.0
120.02022	2.5
127.02402	4.4
129.00294	0.7
131.01926	17.7
133.03470	1.5
137.02968	10.7
139.90521	0.8
141.00317	2.1
142.03535	1.1
143.01903	33.0
145.03490	16.4
147.01396	2.3
149.02969	2.0
152.29179	0.8
155.01952	1.6
157.02280	0.8
157.03426	3.9
158.99680	0.9
158.99904	1.0
159.01402	16.6
161.02963	55.5
162.03160	0.8
163.04446	1.0
171.01389	12.4
173.03020	6.8
175.04570	1.1
177.00966	1.0
177.02455	22.9
179.04039	0.9
179.99004	0.7
183.01381	2.3
184.04701	1.1
185.02907	1.2
189.02463	58.8
190.02657	0.8
191.03964	4.6
201.01117	0.8
201.02498	9.2
203.04077	1.2
207.03510	14.0
219.03548	6.8
226.05650	0.8
227.02393	1.0
231.03499	3.1
236.98364	0.8
244.55748	1.0
249.04581	32.2
258.09128	0.8
267.05682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49162	10.2
75.60925	6.4
94.93011	29.0
98.97584	17.7
101.00869	11.9
110.82626	7.7
119.01889	7.0
158.99661	9.8
204.49849	7.1
249.03731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1649
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
50.74818	0.2
55.05503	0.3
69.07056	0.3
71.51183	0.3
79.05438	0.2
79.63474	0.2
81.07074	0.3
83.69292	0.2
91.05493	0.5
93.07043	0.4
96.36205	0.2
102.07758	0.2
105.07019	0.4
117.05719	0.3
118.06551	6.1
119.07324	0.2
119.08578	0.3
120.08095	0.6
131.07246	0.4
131.08557	0.3
132.08104	2.8
133.08897	0.7
133.10092	0.2
134.09657	1.3
144.08122	0.5
145.08878	0.2
146.09630	2.3
158.09650	0.3
160.11217	0.7
161.11900	0.2
170.17059	0.2
170.80563	0.2
172.11070	0.3
174.12798	1.2
176.14363	12.8
177.14795	0.2
190.08652	12.5
202.08595	0.2
202.15921	2.5
203.16687	1.3
204.10205	6.8
205.10985	1.6
218.11777	5.1
222.20755	0.2
232.13388	0.3
248.16481	100.0
249.16776	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03933	4.5
54.48198	1.9
55.01873	2.6
55.05497	7.0
57.07077	3.9
58.44621	1.7
65.03935	5.2
67.05500	7.8
69.03427	25.5
69.07063	5.3
69.51838	8.3
69.52261	5.2
79.05486	13.5
81.07073	13.5
83.04982	17.2
85.02901	2.5
91.05480	21.8
93.03398	5.5
93.07053	18.9
95.04949	5.1
95.08612	12.5
97.02885	9.7
97.06560	3.4
98.98409	1.9
103.05466	3.7
105.07040	18.3
107.04950	4.2
107.08604	17.7
109.02887	11.5
109.06528	14.4
109.10165	7.4
111.04445	6.7
111.08031	2.0
111.40147	1.9
115.05439	5.1
115.09229	1.9
117.07050	11.0
119.08587	18.9
119.11126	1.8
121.02849	7.1
121.06518	16.3
121.10155	10.0
123.04413	4.8
123.08051	4.3
125.02337	5.8
128.06244	2.9
129.07010	9.9
131.08577	20.7
132.05656	2.5
133.06483	2.6
133.10141	11.9
135.08058	30.7
135.11620	3.7
137.05968	5.5
137.09619	4.0
141.06985	2.2
142.07753	4.4
143.08595	13.8
144.09378	10.2
145.06519	13.2
145.10155	15.5
147.08073	6.3
149.05951	3.0
149.09616	25.9
150.10339	4.4
151.11185	6.1
153.07057	2.6
153.09074	3.4
155.08572	5.8
157.10138	3.4
158.07306	3.0
158.10948	9.1
159.08073	13.7
159.11707	30.3
160.08801	4.7
161.09607	5.9
161.13220	2.9
163.07561	21.0
163.11194	2.9
165.09103	2.5
168.09377	5.0
169.10097	3.3
170.10905	5.8
171.08047	7.8
171.11679	2.8
172.08836	18.4
173.05948	2.0
173.09645	29.6
173.13263	36.2
175.07629	2.0
175.11110	2.9
183.11681	8.7
185.09682	2.4
185.13220	3.1
186.10402	23.2
187.07597	3.4
187.11195	100.0
189.09140	2.3
191.07036	47.5
196.08791	3.8
199.07553	2.2
201.09026	2.3
201.12770	58.2
205.12259	7.4
211.11208	9.8
214.09927	4.7
219.13802	6.9
229.12247	68.9
229.15768	3.4
229.19633	2.6
246.01619	2.0
247.09418	4.4
247.13298	84.9
247.17082	6.7
247.20560	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	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03940	5.3
55.01863	2.1
55.05494	3.8
57.07056	2.0
60.04513	3.6
65.03937	4.2
67.05522	7.1
69.03098	1.7
69.03439	21.9
69.07059	1.3
70.40493	5.3
72.04452	1.2
72.08132	2.3
79.05508	9.2
79.40292	1.2
81.03393	1.3
81.07053	9.1
83.04989	20.3
85.02893	1.5
91.04921	1.2
91.05489	22.9
93.03407	4.9
93.07057	14.4
95.04958	7.5
95.08607	3.5
97.02894	10.1
97.06493	1.9
102.05553	17.1
105.07043	13.9
107.04944	3.9
107.08611	13.5
109.02882	14.4
109.06537	11.6
109.10149	3.4
111.04419	4.2
111.08059	2.0
115.05452	2.5
117.07028	11.1
119.08596	20.3
121.02875	7.1
121.06523	16.7
121.10145	8.9
122.07294	2.0
123.04414	4.9
123.08064	3.3
128.06206	3.9
129.06992	6.9
131.08574	19.2
132.05655	2.8
133.06470	2.0
133.10149	9.8
134.09657	3.2
135.04459	1.5
135.07129	2.1
135.08069	27.6
137.05983	3.9
137.09616	4.1
139.03915	2.5
141.06970	2.3
142.07806	2.5
143.08585	10.3
144.05774	2.1
144.09367	8.6
145.06496	15.4
145.10130	11.0
146.07281	1.3
147.04405	3.1
147.08034	5.6
149.05969	4.7
149.09616	21.9
150.10414	4.5
151.11157	3.5
153.06947	2.6
153.09082	2.0
155.08574	4.0
156.09323	1.6
157.06544	1.4
157.10126	5.5
158.07324	2.2
158.10933	10.8
159.08089	11.6
159.11699	27.8
160.08852	4.8
161.09583	4.3
163.07558	21.9
163.11189	2.8
165.09088	1.6
167.08572	1.7
168.09375	4.5
169.10207	3.4
170.10915	6.8
171.08015	6.3
172.08847	16.0
173.06036	3.0
173.09644	28.4
173.13277	32.8
175.07541	1.9
176.14293	3.3
181.06546	1.4
183.11700	11.5
185.09598	2.9
185.13240	3.5
186.10425	26.7
187.07611	3.4
187.11209	100.0
189.09166	1.6
191.07066	36.1
196.08923	6.0
199.07623	1.8
201.12766	58.2
203.14389	2.8
205.12212	7.1
211.11198	10.4
214.09959	2.7
219.13837	3.8
229.12259	65.7
247.13304	76.1
248.13550	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22694	0.7
55.05500	0.8
56.96566	100.0
57.03419	1.1
61.02909	0.8
69.03421	2.1
69.74890	1.7
69.75311	3.4
70.06612	0.9
70.98123	32.5
71.95253	2.2
72.08159	2.0
73.02929	1.5
74.97613	3.4
78.60199	0.7
81.03426	2.1
83.04930	0.8
84.04487	1.3
84.08129	3.5
84.96040	6.7
85.02901	3.1
86.09711	1.5
86.97594	3.4
88.99159	9.2
95.04949	1.1
97.02894	3.1
98.97585	16.9
100.99151	11.0
101.00883	3.3
102.00952	1.0
103.00642	5.6
105.53324	0.8
107.00169	1.0
109.02850	1.1
110.97564	9.6
112.07616	0.7
112.95520	4.4
115.00666	2.1
116.98616	7.6
118.08690	0.8
119.00180	2.8
119.01920	4.0
121.00893	0.8
121.01662	5.0
126.97057	3.7
127.03917	1.4
128.98604	13.9
130.08685	1.3
130.96538	3.4
131.01903	1.6
133.01700	6.0
134.99695	1.7
138.97044	1.7
143.00159	3.6
143.01869	1.7
144.98083	40.8
145.01674	4.5
145.03455	0.9
146.99646	13.8
147.03217	2.1
148.97549	2.7
152.13916	0.9
153.01811	1.5
155.00204	1.0
156.98099	3.3
157.01682	2.3
157.03557	1.3
158.99651	2.4
159.03244	3.2
161.01184	3.3
161.02885	2.0
162.99149	26.3
163.00519	1.5
163.02721	4.7
165.00668	4.1
173.01198	0.9
173.02896	1.1
174.99162	2.6
175.02747	2.1
175.04430	1.3
177.00688	2.0
177.04259	1.3
178.84344	0.9
179.02234	1.2
181.00224	3.6
182.99760	1.1
186.99123	8.9
187.00827	1.2
187.02681	4.7
189.04243	1.1
193.00241	1.4
199.02751	1.3
201.00687	2.9
201.02420	1.5
205.00212	57.0
205.03462	1.7
219.01752	1.5
223.01260	47.1
224.05756	1.2
229.03259	1.5
241.02315	3.7
247.01309	2.5
247.04622	7.3
247.20250	1.8
265.02249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
55.05514	6.0
56.05037	2.2
56.96294	2.0
56.96565	24.3
57.03439	2.5
58.06602	2.0
60.05632	1.2
61.02930	1.4
62.88420	0.8
67.05502	1.6
68.05027	7.9
69.03436	5.8
69.07072	2.9
70.06593	6.1
70.44056	3.0
71.45185	1.0
71.95255	1.1
72.08166	9.0
73.02913	2.6
79.05510	1.8
81.03412	3.0
81.07053	3.4
82.06570	1.4
84.04512	49.0
84.08143	9.9
84.96049	1.9
85.02904	12.7
85.04008	1.2
86.05980	1.3
86.09698	3.6
87.05596	2.8
91.05474	1.7
92.89666	1.0
95.04964	1.3
96.04501	7.7
97.02881	4.9
97.06570	1.3
98.02432	1.4
98.06041	1.5
98.97592	20.0
99.08113	0.9
100.07626	3.9
101.00889	1.4
102.05541	6.0
107.04946	3.8
108.05275	1.0
109.02863	1.6
110.02393	2.6
110.09692	19.5
110.97575	4.1
111.04472	5.0
112.07623	9.2
113.10783	1.7
114.05540	22.8
114.06297	1.6
116.07117	1.7
116.98625	8.5
117.10275	1.9
117.98013	2.8
119.01901	3.2
119.94855	0.9
120.02044	2.7
121.06505	2.8
123.04442	3.0
127.03920	1.5
128.98630	3.8
129.10277	2.0
130.05014	17.7
130.08643	7.4
131.05302	1.2
134.33725	0.9
134.99640	1.2
135.04457	4.4
137.02367	1.5
138.09149	13.7
139.03900	11.0
140.00195	1.2
141.10223	3.0
142.05003	22.3
143.00177	2.0
144.02174	1.4
146.01157	1.3
146.99663	1.8
147.11264	1.2
149.05937	1.3
152.04059	1.2
153.01852	9.9
154.02216	2.9
154.60779	0.8
156.03325	43.5
156.10219	20.6
157.03571	1.6
158.99683	3.0
161.01234	1.7
161.04684	4.2
162.03114	2.1
163.03966	1.9
165.99403	0.9
166.08646	2.4
168.03326	16.5
170.99699	1.2
174.00623	8.6
174.03290	1.1
174.04396	30.4
174.55260	1.2
174.99162	2.2
176.98567	1.1
177.00740	2.0
182.06326	1.6
182.11838	1.8
184.09708	16.5
185.10054	2.8
186.04408	60.0
187.10843	2.0
192.01694	3.2
192.05440	3.5
194.99707	3.2
197.01213	2.0
198.03157	1.5
200.12714	1.1
202.10765	100.0
204.01669	3.5
204.05472	34.3
205.00139	1.9
205.05963	1.1
209.06041	1.4
212.09204	3.6
213.00706	8.0
218.10129	1.1
219.01768	3.5
222.06404	1.4
222.99168	2.0
223.01280	2.6
227.02412	1.0
228.05446	32.9
229.11916	2.1
237.02777	2.4
241.00157	2.1
246.02696	2.0
246.06628	19.9
246.13341	3.6
246.18134	3.5
246.24477	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83969	0.9
54.11941	1.0
55.05513	9.4
55.64737	0.9
55.91863	0.9
57.07071	2.8
67.05503	9.0
69.07070	19.1
70.44602	1.8
70.44968	1.9
79.05493	6.8
81.06590	2.2
81.07056	33.5
83.08621	5.4
87.10603	1.1
91.05482	5.8
91.05956	0.9
93.07044	12.9
95.08611	36.7
97.10160	3.6
105.07033	11.2
107.08595	36.5
109.10159	23.0
111.11719	2.9
119.08593	15.6
121.09334	1.9
121.10149	25.9
123.11717	17.6
133.10149	11.9
135.11688	19.7
137.13261	14.6
145.10101	1.2
147.11742	6.1
147.24020	0.9
149.13249	13.4
159.11633	1.6
161.13264	8.3
163.14806	6.2
175.14835	23.8
175.16295	1.5
177.16403	2.5
189.16373	13.6
201.73962	0.9
203.17938	2.2
245.15205	3.0
245.22655	100.0
253.07423	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
50.59864	0.3
53.03941	0.5
55.01883	0.5
55.05505	1.3
56.94337	0.3
56.96544	0.5
58.99587	0.4
67.05515	0.8
68.76984	0.3
69.03436	0.8
69.07064	0.8
70.06593	0.4
70.53587	1.1
71.04968	0.5
75.74496	0.3
79.05504	1.1
80.05032	1.0
81.03396	0.5
81.07046	1.8
83.04997	0.8
84.08162	0.6
85.02914	0.5
86.09711	100.0
87.10023	0.5
91.05524	0.7
93.07079	0.6
95.05003	0.8
97.02911	0.3
97.06538	0.5
98.21456	0.4
99.35975	0.4
105.05525	0.9
105.07048	1.1
107.04988	2.0
107.08614	0.7
109.06549	0.9
114.03760	0.9
115.03913	0.5
119.08610	0.5
121.06499	0.7
123.04487	0.4
123.11690	0.4
128.06247	0.5
129.07040	0.6
131.08582	0.4
131.99426	0.3
132.10219	3.8
135.04434	2.2
135.08063	0.7
136.05267	0.4
137.06012	0.5
142.03249	5.7
143.08560	0.7
147.08067	0.8
151.03918	0.5
151.07538	0.5
153.06985	0.7
157.06560	0.4
165.07182	0.4
170.02757	0.9
171.08121	0.4
171.11734	0.5
175.07661	0.4
175.11217	0.4
185.09608	0.5
189.09109	0.4
199.07613	0.6
199.11256	1.1
199.18115	1.4
203.10742	0.8
217.07033	0.5
217.12248	0.6
227.10728	0.7
245.04597	1.0
245.08153	2.0
245.11926	1.7
245.15573	0.5
245.18610	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	245.1861
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.03947	0.4
55.01863	0.4
55.05506	0.6
55.10681	0.2
56.05043	0.3
56.96559	0.9
57.03431	0.3
57.05809	0.5
57.07078	0.2
58.06601	0.4
65.03957	0.2
67.05499	0.4
69.03429	0.5
69.07070	11.7
70.06579	0.3
70.65932	0.4
71.04999	0.3
72.08143	0.2
79.05495	0.4
80.05023	0.6
81.03419	0.7
81.07069	0.3
83.04991	1.0
84.08148	0.5
84.53471	0.2
85.02895	0.2
85.06591	0.2
86.06068	0.5
86.09708	100.0
87.10030	0.4
91.05475	1.5
93.07051	0.3
95.04980	0.4
97.02876	0.2
97.06536	0.4
98.97582	2.1
99.04542	0.2
105.05508	0.3
105.07032	1.2
107.04984	0.9
107.08610	0.3
108.04503	0.3
109.02895	0.5
114.03802	0.4
116.41868	0.2
116.98634	1.5
119.08602	0.4
121.06511	0.5
123.04482	0.4
128.06248	0.2
129.07030	0.4
130.06516	0.4
131.08565	0.3
131.37482	0.2
132.10202	1.9
133.06502	1.0
133.10146	0.3
134.99686	0.7
135.04404	0.5
141.02255	0.7
142.03241	2.8
142.07802	0.4
143.08589	0.6
149.02319	0.3
151.03893	0.3
153.02206	0.4
156.09380	0.4
157.06519	0.2
157.07713	0.4
157.10121	0.4
158.06081	0.2
159.03334	0.7
159.08002	0.4
161.02246	0.2
161.06027	1.2
161.09648	0.3
167.03433	0.4
170.02744	0.6
171.03290	1.7
171.11696	0.5
175.11252	0.4
185.09608	0.2
189.01947	0.3
189.02811	0.3
189.04282	1.6
199.07472	0.4
199.18073	0.8
203.08339	0.2
203.10709	0.7
213.04297	0.3
217.01447	0.6
217.12193	1.2
227.10677	0.3
231.05516	0.3
245.00876	0.4
245.04335	1.1
245.08218	0.9
245.11906	2.8
245.15768	0.4
245.18625	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	245.1862
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.03940	0.3
55.01854	0.3
55.05517	0.8
56.05026	0.3
56.88548	0.2
56.96577	1.3
57.05813	0.3
58.06597	0.5
65.15847	0.2
67.05516	0.3
69.03436	0.8
69.07075	10.4
69.66702	1.6
70.06586	0.4
70.98108	0.4
71.04988	0.3
71.76489	0.3
79.05500	0.7
80.05038	0.6
81.03421	0.8
81.07069	0.6
83.04985	1.1
84.08152	0.6
85.02892	0.5
86.09713	100.0
87.10030	0.5
91.05477	2.0
93.07059	0.6
95.04977	0.6
96.37115	0.3
97.02937	0.4
97.06580	0.4
98.97591	2.9
103.05371	0.3
105.07037	1.2
107.04964	0.9
108.04498	0.3
109.02853	0.5
109.06535	0.3
113.42455	0.3
114.03767	0.6
116.01663	0.3
116.98630	2.1
119.04905	0.3
119.08599	0.4
121.06535	0.4
122.06073	0.3
123.04482	0.4
123.08093	0.3
130.06464	0.3
131.08621	0.5
132.10220	1.9
133.06503	1.2
133.10181	0.4
134.99702	1.0
135.04454	0.8
136.05206	0.3
137.05934	0.3
141.02255	1.0
141.06973	0.3
142.03239	3.4
142.07809	0.4
143.08574	0.8
145.06531	0.2
151.03908	0.6
153.02245	0.4
155.07042	0.5
156.09370	0.7
157.07634	0.4
157.10205	0.6
159.03340	0.7
159.08133	0.3
161.02412	0.4
161.06032	1.8
161.09610	0.3
170.02730	0.9
171.03322	2.9
171.11659	0.6
173.04388	0.3
173.13460	0.3
175.11226	0.3
189.04355	2.1
199.11259	0.8
199.18082	0.7
203.10725	0.9
213.04471	0.4
217.01353	0.4
217.12233	1.6
227.10817	0.4
231.05415	0.4
245.00861	0.4
245.04526	0.8
245.08144	0.9
245.11542	3.9
245.15659	0.4
245.18575	2.5
246.07747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.1
55.01862	4.9
55.05514	2.6
56.96565	5.5
57.03438	12.3
64.59779	1.1
65.03942	15.1
67.05493	3.9
68.99787	7.8
69.03417	5.8
69.07050	1.6
70.06585	2.3
70.63872	1.7
71.01335	1.2
71.04990	1.8
73.02911	1.0
75.04472	2.7
77.03923	1.4
79.05493	7.9
79.15609	1.0
81.03414	8.6
81.07055	3.3
82.04185	2.1
83.04985	7.5
84.04493	1.2
84.08128	3.5
85.02914	5.2
86.09715	10.6
90.94910	1.0
91.05479	7.2
93.03413	8.0
93.07034	2.6
94.04185	1.8
95.04972	14.1
97.02894	4.9
97.06515	2.9
98.03688	1.4
98.97587	8.7
103.05470	3.0
105.03346	1.1
105.04500	2.1
105.07039	5.2
106.04151	1.5
107.04959	84.7
107.08583	1.8
108.02096	2.2
109.02884	5.9
109.06522	3.9
110.03648	2.6
110.97557	2.8
111.04449	51.6
115.05446	3.2
116.98621	2.5
119.04976	1.9
119.08543	1.1
121.02914	5.6
121.03983	4.3
121.06516	11.4
123.00809	1.0
123.04430	18.2
125.02359	1.2
125.05943	2.2
126.03136	1.6
127.03906	1.6
128.06229	3.0
128.98608	3.2
129.06973	3.6
131.08543	1.3
133.02861	2.4
133.06516	1.3
133.10132	4.2
134.03619	3.9
134.99681	1.1
135.04420	88.5
136.05200	15.3
137.02341	26.3
137.05942	8.8
139.03906	100.0
140.04651	3.6
141.01797	1.8
141.05457	1.6
141.07007	2.3
143.04919	1.5
143.08519	1.6
146.99632	1.0
147.04398	1.2
148.05183	4.4
149.05971	5.7
149.09615	1.1
151.03899	3.1
152.06190	3.2
153.01826	3.6
153.05458	2.8
153.06978	10.1
154.02638	8.7
154.06277	1.9
155.03406	2.8
156.04189	9.2
157.06482	2.9
161.05954	2.6
165.05486	14.7
167.03502	2.2
167.07013	1.4
168.04199	1.3
169.04990	23.4
169.06377	2.2
170.05722	12.1
170.06920	1.3
171.04376	2.4
171.06548	33.4
171.08054	3.6
177.05467	9.2
181.04980	1.8
181.06439	13.4
182.05801	3.3
183.04227	1.4
183.06592	7.5
184.05339	1.5
185.05962	1.8
189.05438	2.0
194.05797	5.5
195.06531	16.0
197.06165	1.9
197.08055	8.8
198.06990	1.1
199.03960	2.1
199.07610	22.0
199.12383	5.2
209.06076	3.0
209.08099	22.7
213.07570	7.7
215.07037	3.8
216.07265	1.3
217.04951	2.7
217.07635	8.6
219.01794	2.2
227.07173	6.1
227.08980	1.5
227.11880	6.1
228.36237	1.1
228.86856	1.3
237.02786	4.1
245.04639	8.2
245.08015	30.4
245.10229	28.0
245.12865	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	245.0811
Annotation	Suberenone
Peak:m/z	Relative Intensity
53.03973	1.1
55.01870	1.7
55.05527	4.5
57.03443	1.4
57.07061	1.0
65.03956	4.6
67.05504	3.3
69.03436	1.3
69.07069	2.5
70.06593	1.3
71.52019	1.0
72.08163	0.9
79.05492	3.9
81.07056	4.8
83.04967	1.3
83.08617	2.3
85.02896	0.9
85.06498	1.0
85.84766	0.9
91.05489	67.5
93.07050	3.6
95.08626	2.9
97.10175	2.2
98.97592	2.5
105.03429	0.8
105.07043	4.5
107.04958	12.5
107.08607	2.5
109.10165	2.5
111.08088	1.0
116.98590	1.1
117.07029	1.9
119.08593	3.6
121.02891	1.8
121.06512	0.9
121.10213	0.8
125.09641	2.9
128.06218	7.6
129.07025	3.7
131.08545	2.4
133.02834	0.9
133.06461	1.3
133.10129	2.2
135.04401	2.0
135.11723	1.4
142.03249	1.8
142.07823	1.7
143.08592	4.7
145.06517	1.2
145.10149	3.1
146.05989	1.2
147.08006	1.3
147.11723	1.8
149.02362	2.9
149.13301	1.2
151.03928	2.8
152.06215	10.0
153.07010	28.8
157.10143	4.3
159.08025	1.2
159.11754	1.9
161.09509	1.1
167.03409	4.0
171.08049	2.4
171.11713	2.5
175.07533	2.1
175.14909	1.3
181.06476	1.3
185.07120	1.8
185.13303	2.6
187.14845	1.4
189.11194	1.5
199.11154	1.6
199.14806	2.2
201.09125	1.7
227.07043	100.0
227.14409	2.5
227.17899	1.2
228.07295	1.5
244.22711	1.6
245.04440	2.0
245.08005	10.5
245.11829	2.7
245.15617	5.6
245.19055	2.9
245.22760	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	245.0812
Annotation	Gnetol
Peak:m/z	Relative Intensity
51.02375	0.6
53.03954	1.5
53.47849	0.4
55.01876	2.3
55.05517	1.2
56.05044	0.7
56.96574	7.2
57.03441	1.0
61.02919	0.4
65.03947	1.6
67.05494	1.2
68.05035	1.5
68.99791	2.9
69.03435	1.8
69.07081	0.5
70.06596	3.3
71.01363	0.5
71.04965	0.5
71.49611	0.4
71.95284	0.7
72.08161	1.3
72.62086	0.4
73.02914	1.0
77.03930	0.9
79.01851	1.3
79.05502	5.6
80.06271	0.5
81.03426	4.0
81.07054	0.9
84.04517	6.9
84.08149	1.8
84.96024	0.9
85.02900	3.4
86.06068	1.3
86.09709	1.2
87.04474	0.7
88.03967	0.5
89.03921	1.6
91.05506	1.3
93.03418	0.7
93.07050	0.4
94.04165	1.0
95.04991	2.6
96.04486	0.7
96.97006	0.4
97.02892	2.5
97.06572	0.6
98.06911	0.6
98.97593	8.9
99.04488	0.4
100.07671	0.8
100.11272	1.0
100.99144	0.9
101.00851	0.6
102.05549	0.8
105.03425	0.6
105.04491	0.9
107.04962	93.6
109.02890	6.3
110.03683	0.7
110.08916	0.3
110.09700	1.9
110.97578	1.4
111.04444	9.7
112.07605	1.4
112.99142	1.2
114.05532	3.6
115.05449	1.0
116.07103	1.0
116.98633	3.8
117.03361	0.4
119.01910	1.5
121.02874	3.8
121.06541	0.4
123.04443	10.5
124.07584	2.9
125.99078	0.5
127.00796	0.5
127.03866	0.5
128.06224	2.8
128.98637	1.5
129.07014	3.7
130.05016	7.5
130.06532	0.6
131.00209	1.0
131.04941	0.8
131.08577	1.5
133.02876	1.1
134.03668	2.3
134.99652	1.0
135.04427	100.0
136.05214	19.7
137.02335	1.0
137.05984	5.2
138.09154	1.9
139.03918	6.3
141.07072	0.9
142.03223	1.9
142.05008	2.3
143.00172	0.6
143.01924	0.9
143.03358	0.9
143.04977	0.5
143.08569	2.5
145.03871	0.4
147.04430	0.6
149.02402	0.6
151.03972	0.7
151.05362	0.4
152.06245	3.3
153.01845	12.1
153.02950	0.9
153.07008	10.9
154.02193	1.0
155.01761	0.5
155.06021	0.5
157.06534	2.8
158.08145	0.6
158.99640	1.1
160.02858	0.5
161.01340	0.4
161.02975	1.9
161.05997	2.2
163.03917	0.7
169.06526	0.9
171.06763	0.7
171.08063	3.4
173.01285	0.5
173.05919	0.5
175.04445	0.5
177.00755	1.1
181.06488	13.7
182.07001	0.6
182.11800	1.0
182.99594	0.5
184.05150	0.9
184.09744	6.2
185.06004	1.5
188.97145	0.5
193.03862	0.9
194.99718	2.6
197.06033	1.0
198.06796	0.5
198.95889	0.6
199.07562	22.0
201.12344	8.2
201.74995	0.4
202.10727	1.7
202.95372	1.0
203.02281	0.6
203.07117	0.5
209.05910	2.1
209.10043	0.8
213.00735	4.5
217.04967	0.5
217.08507	0.9
219.01758	2.2
227.07033	8.3
227.13873	0.6
228.07773	0.7
231.01794	0.8
237.02762	2.2
244.57487	0.9
245.05151	2.5
245.08089	35.2
245.12160	1.9
246.08350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0811
Annotation	Gnetol
Peak:m/z	Relative Intensity
51.02375	0.5
53.03954	2.1
55.01880	1.7
55.05516	1.4
56.96577	1.8
65.03941	1.2
67.05518	0.8
67.61169	0.5
68.05023	0.5
68.99805	2.7
69.03442	0.9
70.06592	1.4
71.01363	0.7
71.05009	0.8
71.50265	0.8
72.08144	1.1
77.03951	1.9
79.01868	1.2
79.05505	5.4
80.06283	0.5
81.03415	3.0
81.07075	1.6
83.04983	2.0
84.08167	0.6
85.02919	1.2
86.06068	0.7
86.09724	3.4
89.03950	1.2
90.09822	0.4
91.05493	2.1
93.07046	0.5
94.84543	0.5
95.04968	2.6
96.08128	1.5
97.02888	1.0
97.06525	0.6
105.03417	3.2
105.04511	1.1
105.07037	0.9
107.04964	88.1
108.05226	0.6
109.02899	4.5
109.06535	1.2
110.03690	0.8
111.04447	7.2
115.05448	1.1
117.03393	0.8
119.04948	0.6
121.02879	4.1
121.06536	0.7
121.10123	0.6
123.04433	9.7
123.08108	0.5
124.07617	6.3
125.02377	0.9
128.06248	2.4
129.06998	3.2
130.06584	0.9
131.04987	1.0
131.08571	1.5
133.02878	3.2
133.06520	0.8
134.03674	2.3
135.04428	100.0
136.05223	18.2
137.02380	1.2
137.06001	5.1
139.03954	0.9
142.03215	1.7
143.03397	1.0
143.08533	2.3
144.81093	0.5
145.10118	0.6
149.02357	0.6
149.09618	0.8
151.03943	1.6
152.06201	3.4
153.01854	10.1
153.02956	0.7
153.07013	10.2
157.05424	0.6
157.06503	3.1
158.06029	1.0
160.98885	0.6
161.02365	3.8
161.05957	2.4
169.06519	0.6
171.08009	4.6
180.98068	0.8
181.06487	13.4
184.05164	1.2
185.04446	2.2
185.06047	1.3
189.01851	4.9
190.96548	1.0
191.10619	0.6
197.00998	1.3
198.06853	0.9
198.98973	0.8
199.07539	24.6
199.12302	0.9
208.97581	2.1
209.06013	1.9
209.11813	0.7
217.01385	5.4
217.08606	0.7
226.98692	4.8
227.03555	0.6
227.06841	6.8
227.11842	2.1
235.02237	0.6
245.00955	7.5
245.04512	2.3
245.08092	40.8
245.12907	2.4
246.08842	0.5
259.01373	2.6
263.01837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0811
Annotation	Piceatannol
Peak:m/z	Relative Intensity
53.03937	2.2
55.01863	3.4
55.05508	2.0
56.96564	2.1
57.03433	2.8
61.71519	0.7
65.03948	4.6
67.05499	2.8
68.99793	4.0
69.03416	2.1
69.07069	4.5
70.06595	4.0
71.01358	0.9
71.04980	1.9
71.10180	1.7
72.08150	1.8
79.05494	7.2
79.52205	0.7
80.81590	0.6
81.03423	5.2
81.07059	2.1
83.05006	4.5
84.04511	1.0
84.08156	4.7
85.02902	1.9
85.06540	0.9
86.06036	1.2
86.09711	29.7
88.03991	1.4
91.05485	5.6
93.03409	2.6
93.07041	2.1
95.04971	6.3
95.08584	0.8
97.02886	1.9
97.06524	1.1
98.97580	3.2
103.05489	1.8
105.03386	1.2
105.04530	1.3
105.07029	5.9
107.04961	82.5
107.08588	1.5
109.02885	5.5
109.06502	1.0
110.03659	2.2
111.04448	17.4
111.05601	1.0
112.99183	0.7
114.03717	0.8
115.05460	2.4
116.98631	1.7
117.06987	1.0
121.02865	3.8
121.04058	1.1
121.06511	2.9
121.10183	1.8
123.04440	12.4
124.07602	1.5
125.09629	0.9
127.03969	1.5
128.06219	3.6
129.07001	3.3
129.10242	1.7
130.08665	1.5
131.04926	0.9
131.08601	1.8
132.10245	0.8
133.02859	1.9
133.06493	1.2
133.10127	4.1
134.03627	3.2
135.04425	100.0
136.05199	17.2
137.02350	5.3
137.06010	4.2
139.03908	29.9
140.04651	0.7
141.05461	1.3
142.03275	1.2
143.08572	2.7
145.10046	1.7
147.04462	0.9
147.11325	1.2
148.05139	0.9
149.05992	2.2
149.09550	0.9
151.03940	3.1
152.06213	2.5
153.01820	1.4
153.05664	1.1
153.06992	9.0
154.02608	2.1
155.04959	1.2
155.06050	1.1
156.04176	5.1
156.10281	0.8
157.06476	3.4
157.10103	0.9
159.09250	1.1
161.05988	2.6
165.05472	5.0
168.90791	0.8
169.04987	5.2
169.06357	1.4
170.05737	3.6
171.04399	1.8
171.06570	10.4
171.08069	3.0
173.05992	1.2
175.07541	1.6
177.05493	1.6
181.06493	13.8
183.06523	2.2
185.05893	0.9
185.10767	1.0
187.07550	0.9
189.05521	1.1
189.09175	0.9
194.05826	0.9
195.06572	4.5
197.06238	1.3
197.08136	3.4
199.03928	2.2
199.07553	21.9
199.12376	1.5
201.12354	2.5
203.06932	0.7
203.10771	0.7
209.06062	2.1
209.08124	7.6
209.11642	1.0
213.07605	1.8
217.05110	1.4
217.08542	1.4
227.03499	1.0
227.07008	8.0
227.08890	0.9
227.11668	3.5
237.02856	0.8
245.04488	11.0
245.08127	36.1
245.10265	7.0
245.12892	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	245.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
55.05502	1.4
56.96566	72.6
57.03423	1.7
61.02919	1.7
63.04233	1.1
66.06725	1.2
68.98288	2.4
69.03419	4.8
70.06591	5.5
70.97791	1.3
70.98125	17.2
70.99844	2.4
71.04975	1.3
71.49985	1.0
71.50418	1.5
71.95267	20.6
72.08163	2.4
72.96053	7.6
73.08464	1.1
80.39316	1.0
81.03397	4.2
82.99831	8.4
84.04510	1.4
84.08132	4.1
84.96036	5.6
85.02886	3.0
86.06079	1.2
86.09705	3.6
86.99328	2.4
88.99162	3.4
89.00886	1.8
94.99784	1.3
97.01363	1.3
97.02898	7.6
97.96187	1.0
98.97588	100.0
99.04451	1.3
101.00886	62.3
102.00965	1.7
103.97774	1.1
107.70381	1.2
109.02891	1.3
110.97556	2.3
112.99153	2.3
113.00875	11.8
113.03511	6.2
115.00633	1.9
115.02426	4.2
116.97824	2.3
116.98628	34.2
117.62044	1.1
119.01929	61.3
120.01993	1.1
124.95490	20.8
127.02422	8.5
127.03873	1.3
128.98627	4.5
129.03987	2.8
131.00146	1.8
131.01918	14.7
133.03467	4.4
134.99698	6.5
137.00816	2.0
137.02910	5.2
138.28291	1.1
139.02409	2.7
140.98555	1.7
142.03189	1.1
142.96529	16.1
143.00160	2.4
143.01907	47.3
143.11053	1.1
145.01724	1.9
145.03467	15.8
146.99635	4.3
147.01329	2.4
149.01208	2.2
149.03033	1.2
152.94974	6.8
153.00677	1.4
153.01833	1.7
155.01894	18.6
156.02646	2.0
156.98114	2.6
157.03477	23.1
158.99637	2.3
159.01463	1.4
160.97554	5.0
161.02962	81.1
162.03094	1.9
163.04474	2.3
163.54634	2.0
167.01955	8.0
169.03453	4.4
170.96033	30.7
171.01561	1.2
171.05014	4.3
172.97583	2.1
173.01456	1.2
173.02980	22.5
174.99170	9.1
175.04533	13.2
179.01918	5.1
184.97543	10.5
185.02963	34.8
186.03194	1.4
187.04529	12.8
188.97078	50.7
189.00671	2.6
189.06027	1.7
190.98663	1.8
191.04034	3.5
193.00273	8.3
197.02956	14.4
199.04460	4.3
201.15982	1.4
202.98680	22.0
203.02364	1.9
203.04016	21.0
206.98132	15.3
212.97089	2.1
215.04037	7.3
217.05518	5.0
220.99692	9.3
221.05075	9.7
227.04018	4.5
230.98186	6.1
233.05136	1.7
237.03523	1.3
239.00868	1.4
244.99654	4.7
245.05078	62.0
245.08409	2.6
245.12274	2.9
246.05592	2.1
263.00629	2.3
263.03192	2.2
263.05905	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	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.3
59.95031	0.3
60.95816	0.4
68.98278	0.6
69.03418	0.9
69.41572	0.3
69.93764	1.7
81.03406	1.1
82.99820	2.4
84.99579	0.4
86.69973	0.3
86.99323	0.5
97.01403	0.3
97.02893	2.4
98.97584	1.3
99.04432	0.4
101.00883	18.6
102.00965	0.8
102.96880	2.3
103.00630	3.4
103.02435	0.7
105.00365	0.7
113.00873	2.7
115.02428	1.2
116.98645	0.8
118.98608	0.6
119.01925	26.5
120.01965	1.6
120.97919	1.1
121.01671	6.0
121.02468	0.5
123.03036	0.3
125.00858	0.6
127.02388	1.2
127.03873	0.6
129.00316	0.4
129.03963	0.7
131.01907	5.6
131.05562	0.7
133.03465	1.3
134.99506	0.3
136.99672	0.4
137.02980	3.3
138.98907	0.6
139.02470	1.5
141.03934	0.4
141.96820	0.3
142.03484	0.5
142.98582	1.2
143.01894	13.1
144.02109	0.4
145.03470	4.3
147.01370	1.0
147.04988	0.5
149.06546	0.3
155.01901	3.0
157.03464	7.2
159.01477	0.4
159.05066	0.4
160.99649	4.3
161.02962	32.8
162.03098	1.1
163.04494	0.6
167.01944	1.8
169.03488	1.0
171.05110	0.7
173.01559	0.5
173.02975	5.1
175.04550	3.9
177.01051	1.5
177.02515	0.5
177.09724	0.5
178.01068	1.0
179.00696	20.9
179.04022	0.9
180.00804	0.4
181.03542	0.5
184.04549	0.5
184.99678	0.9
185.02969	9.7
187.04541	3.0
189.06082	0.5
191.03947	1.3
197.02966	3.1
199.04486	1.8
201.02728	0.4
203.00735	3.3
203.03993	8.0
203.11143	0.4
209.02850	0.3
215.04082	1.5
217.01985	0.3
217.05605	1.3
219.01971	2.3
219.03903	3.1
220.02133	0.7
221.01781	25.4
221.05194	1.5
221.99503	0.4
222.01974	1.9
227.00632	2.4
227.03958	2.3
233.05074	0.7
236.00523	0.4
239.98584	0.5
245.01872	12.1
245.05060	24.3
245.12228	2.5
246.05345	0.4
261.03146	0.6
263.02875	100.0
264.03003	3.4
268.03445	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	5.5
59.36821	4.8
64.87325	3.3
66.34609	3.3
68.82797	4.0
68.98301	5.1
69.51463	11.9
69.51871	12.8
70.06591	8.1
70.99871	5.8
82.99846	17.1
86.06644	4.0
94.97002	3.6
95.49255	4.3
97.02895	5.7
98.57150	4.2
98.97559	7.4
101.00883	100.0
101.01501	7.4
103.33703	3.7
104.10745	16.0
113.00865	9.9
115.02444	3.9
116.98637	4.1
119.01928	59.7
127.02391	10.8
129.03926	4.8
131.01909	18.5
133.03477	5.6
137.00899	7.6
139.02429	6.7
143.01947	32.7
145.03468	25.0
153.03772	5.2
155.01898	52.2
157.03471	21.7
161.02989	41.5
167.01863	21.3
169.03447	5.4
171.04959	10.0
173.02977	26.7
175.04529	9.5
179.01909	12.8
185.02960	88.0
187.04495	10.6
197.02948	33.2
203.03999	16.5
213.05733	6.9
215.04050	11.0
221.03223	5.3
221.05170	9.3
227.04105	5.0
245.05064	46.3
245.08395	19.4
263.06039	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	244.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85958	0.7
55.05500	1.6
59.05006	0.8
60.04530	11.0
63.10469	0.8
67.05494	2.8
69.03445	0.9
69.07072	84.7
70.02966	6.7
70.06597	0.9
71.50545	1.9
72.08136	1.5
74.82819	0.7
79.05488	1.1
80.05016	1.0
81.03412	1.5
81.07048	1.4
83.04991	1.2
84.04542	1.2
84.08116	1.0
86.09711	1.2
88.03995	54.1
91.05470	1.3
93.07045	1.1
95.08627	1.0
97.06522	2.7
98.97592	1.2
102.05550	95.3
105.07053	1.3
109.02869	0.8
121.06533	0.9
124.07618	5.7
130.04988	3.3
135.08063	1.2
139.07590	0.9
142.03207	2.3
145.10123	1.1
148.06056	100.0
149.06190	1.0
166.08644	14.0
167.06995	1.2
184.09747	4.6
198.11278	14.2
199.11427	1.5
209.06851	0.8
212.09222	1.4
216.07303	1.0
226.10716	3.5
244.03403	1.0
244.06581	1.8
244.09814	2.0
244.11810	50.9
245.12054	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0654
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
53.03921	0.4
53.33949	0.4
54.53195	0.4
55.01870	1.1
56.10913	0.4
60.54827	0.4
65.03944	2.9
66.41087	0.4
67.05497	0.5
68.99795	4.1
69.03441	0.7
69.55819	1.1
69.56252	1.8
73.32335	0.4
77.82349	0.4
81.07083	0.7
81.85286	0.4
83.58408	0.4
85.59006	0.4
86.09734	0.8
87.71455	0.4
91.05497	1.2
93.03410	0.5
95.08635	0.6
103.05526	0.5
105.07015	0.6
107.04961	6.4
109.10159	0.6
115.05415	0.9
115.07632	0.4
117.07040	1.2
119.04944	0.9
119.08544	0.6
121.02878	19.7
129.07024	0.7
129.65457	0.4
131.04936	2.1
131.08580	1.5
133.02844	1.0
141.06992	8.5
144.05688	1.1
144.31006	0.4
145.06496	2.4
147.04434	3.2
147.08067	2.2
149.02356	100.0
150.02788	0.9
155.06082	0.5
157.06483	0.9
159.08080	1.3
167.03450	1.1
168.05669	0.8
169.06493	10.4
169.07816	0.8
173.06000	1.6
173.82205	0.5
185.06010	0.8
187.07542	2.2
197.06010	12.7
198.06438	0.8
200.04630	0.5
213.05521	1.2
215.07043	92.1
216.07379	1.2
225.05486	1.0
243.06549	40.9
244.06764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0653
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
55.01875	1.1
55.05518	0.4
59.17680	0.3
65.03949	2.9
67.05521	0.4
67.56052	0.3
68.99796	4.1
69.03414	0.3
71.21021	0.6
72.57911	0.3
74.90359	0.3
76.95593	0.3
79.05479	0.6
81.03417	0.5
81.07041	0.6
83.04982	0.3
84.08147	0.6
86.09710	0.5
87.81740	0.3
91.05479	1.3
95.04995	0.8
99.04457	0.4
105.07027	0.4
107.04965	7.3
108.43942	0.3
109.06520	0.5
109.10151	0.6
111.04438	0.5
115.05455	1.5
117.07040	0.6
119.04928	0.7
119.08545	0.8
121.02873	20.0
122.03226	0.4
123.04435	0.8
123.08051	0.4
128.06268	0.5
129.07040	0.6
131.04953	1.8
131.08600	1.2
133.02806	0.4
141.06993	8.2
144.05711	1.2
145.06502	2.2
147.04420	3.1
147.08040	3.1
148.34053	0.3
149.02348	100.0
150.02704	0.7
155.05997	0.6
157.06477	0.4
159.08064	1.9
160.79971	0.3
167.03381	1.6
168.05737	0.3
169.05110	0.4
169.06488	9.3
169.07620	0.4
173.05917	1.5
176.46829	0.3
179.10744	0.4
181.04979	0.3
181.30421	0.3
185.05984	0.7
187.07571	2.3
197.05997	11.4
198.06572	0.4
200.04691	0.7
213.05434	0.7
215.07036	94.9
216.07416	1.8
243.06532	48.2
244.06850	1.1
259.68054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0654
Annotation	2,4,5,6-Tetrahydroxyphenanthrene
Peak:m/z	Relative Intensity
53.03954	0.3
53.32872	0.2
55.01873	0.8
55.05519	0.3
55.90564	0.2
57.03465	0.3
61.72540	0.2
63.67299	0.2
65.03934	0.4
68.99792	0.3
70.75488	0.5
70.75822	0.2
79.05469	0.3
81.03416	0.7
81.07068	0.2
84.08114	0.3
91.05478	0.7
93.03339	0.2
93.07044	0.3
95.01324	0.5
105.07035	1.8
107.04931	0.5
109.02889	1.3
115.05457	2.8
117.07041	0.4
121.02869	0.4
121.78121	0.2
123.04436	0.2
131.08557	0.8
133.02875	0.8
133.10127	1.6
134.03645	3.6
135.04388	0.7
139.05467	0.3
140.04585	0.4
141.06998	15.0
144.05685	0.4
145.06551	1.1
147.04428	0.6
149.02376	1.1
155.07063	0.2
159.08032	0.6
168.05698	1.6
169.06500	32.1
170.06818	0.5
173.06001	0.6
181.06459	0.3
184.05200	0.2
187.07506	1.0
197.05991	31.0
198.06523	0.8
201.05524	0.2
213.05644	0.2
215.07039	100.0
216.07375	1.7
225.05482	10.1
226.06259	0.4
243.06543	38.6
244.06882	0.8
252.52463	0.2
260.47418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.8
61.77969	0.1
61.96722	0.1
70.10442	0.5
71.95265	0.2
76.91232	0.1
82.99842	1.0
85.51623	0.1
92.70791	0.1
97.43365	0.1
98.97587	5.9
100.97213	0.3
101.00891	7.4
116.98639	2.9
118.98251	0.2
119.01927	9.3
122.97836	0.3
134.99829	0.9
137.02942	0.9
140.98851	1.7
158.99905	5.4
159.01239	0.3
160.00034	0.2
165.99599	0.3
175.03004	0.2
177.00966	17.8
178.01099	0.6
182.99847	1.1
197.00586	0.2
201.00911	4.3
201.02403	0.3
215.99605	0.2
217.04112	3.5
219.02016	24.4
219.94585	0.8
220.02133	1.9
221.01912	0.2
225.00887	2.3
227.99316	0.2
234.00739	0.5
237.95436	0.2
237.98810	0.2
241.58031	0.2
242.03625	0.2
242.96196	0.4
243.02003	13.5
244.02121	0.4
261.03073	100.0
262.03207	3.6
263.03506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	5.5
56.96576	4.5
57.03436	12.1
58.06367	1.4
58.06604	14.0
58.85563	1.5
59.06927	3.8
61.02912	6.7
69.03424	8.1
70.06590	2.6
71.01344	3.0
71.05003	2.0
71.50217	2.7
72.08133	1.8
73.02916	7.6
81.03419	2.1
82.99825	2.1
84.04526	1.8
84.08142	6.2
85.02918	10.3
85.08489	4.2
87.04471	7.7
89.02390	4.5
97.02903	9.6
97.84573	2.1
98.06124	1.9
98.97569	4.8
101.00893	4.3
101.02404	13.0
103.02489	2.1
110.07225	2.3
113.02368	1.9
115.02462	2.6
115.03941	20.7
119.01917	6.6
126.77456	1.8
128.10722	2.9
128.98587	4.1
129.01878	15.9
129.11076	2.8
132.02087	2.3
133.03458	4.5
133.04927	2.2
143.03406	7.5
147.04015	2.2
147.05072	2.1
152.07086	2.0
157.01324	18.7
161.03191	2.5
161.04375	8.5
161.05635	8.9
170.06067	6.0
171.02794	3.8
183.05066	2.3
189.03966	46.4
196.00949	4.0
196.09709	6.4
197.10027	3.8
199.98764	1.8
219.01732	2.5
242.10301	6.1
242.15834	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	241.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
55.01855	0.3
55.05501	1.2
56.96298	0.3
56.96564	4.0
57.03414	0.8
57.07063	1.0
58.06604	19.3
59.05014	0.3
61.02933	1.5
67.05501	0.8
69.03436	2.0
69.96903	1.3
70.06593	3.5
70.98116	0.4
71.04991	0.6
72.08147	0.6
73.02910	0.8
73.06535	0.6
73.44812	0.2
81.03436	1.2
83.04981	0.4
84.04503	0.6
84.08150	10.6
84.96017	0.5
85.02920	2.7
85.06528	0.8
88.89640	0.2
97.02914	2.5
97.06519	0.3
98.06047	0.5
98.09707	1.8
98.21491	0.5
98.97589	7.6
99.04458	0.6
100.11220	0.5
101.00858	1.2
103.00507	0.3
103.03958	0.3
109.02882	0.5
110.97563	1.0
112.07626	0.4
114.05550	0.5
116.07094	0.6
116.98637	2.3
118.02792	0.2
119.01881	1.4
119.04910	0.3
123.04372	0.4
124.04786	0.3
124.07597	0.3
124.99091	0.4
125.95208	0.3
126.05463	0.5
126.09238	0.2
127.00646	0.7
127.03910	0.4
128.02298	0.3
128.10725	4.1
128.98611	0.7
131.00204	0.3
131.01852	0.7
131.05493	0.4
134.99625	0.6
139.92055	0.3
143.00174	0.6
143.01892	1.1
144.10199	1.3
145.01663	0.8
145.03459	0.5
146.02341	0.3
146.99652	0.5
147.05760	0.8
152.07114	0.7
153.01857	0.6
154.03862	1.0
155.04663	1.9
156.97577	0.4
157.03461	0.5
158.99666	3.0
160.04811	0.5
160.06598	1.3
161.02943	1.5
161.04610	1.9
163.02695	0.8
164.05186	0.6
168.05402	0.3
168.10201	0.9
169.04456	0.7
169.07086	0.3
170.99649	0.6
173.02890	0.6
173.06783	0.3
173.08319	0.6
177.00725	0.7
177.11078	0.4
182.03334	0.3
185.02924	0.5
186.99133	0.3
189.00729	0.5
195.12064	1.1
196.09731	5.7
198.98961	0.5
213.15993	0.6
215.09540	0.4
217.00104	0.7
219.01793	2.1
221.05170	0.3
233.06898	0.4
237.02837	0.5
241.15480	100.0
242.15848	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.03952	2.1
55.01863	4.0
55.05510	8.1
55.60606	1.6
57.03426	1.7
60.68157	1.5
67.05521	9.6
69.03098	1.8
69.03436	27.4
69.07062	5.5
70.06630	2.6
70.81658	4.1
71.04985	2.1
73.02895	2.0
73.53968	1.8
75.24426	1.8
79.05492	12.0
80.68761	1.6
81.03413	4.5
81.07050	11.1
83.04987	51.4
83.08611	2.7
84.08164	2.2
85.02888	3.1
85.06532	3.0
91.05481	11.7
93.07050	18.2
95.04975	100.0
95.08606	12.1
96.03177	1.4
96.08105	1.6
97.02887	6.6
97.06529	14.4
99.04420	3.4
105.07049	9.1
107.04967	8.5
107.08609	13.9
108.63876	1.6
109.02830	1.9
109.06527	65.2
109.07276	3.9
109.10150	3.2
111.04442	5.4
111.05538	4.2
111.08069	10.3
111.15793	1.8
113.05997	5.9
117.07006	4.1
119.08579	10.3
121.06515	25.3
121.10135	6.7
123.04382	1.9
123.08059	4.0
123.11710	1.9
125.06062	10.0
125.06823	2.1
127.03973	1.8
128.06172	1.9
133.06497	1.8
133.10152	3.4
135.04382	2.4
135.08069	15.9
135.11665	7.7
137.05965	3.4
137.09573	4.8
139.03975	2.3
139.05014	3.1
139.07559	24.6
145.10114	6.7
147.08075	2.6
147.11707	2.3
149.05991	3.6
149.09641	23.8
151.07552	2.2
153.09178	2.8
154.07932	1.9
154.94522	1.8
157.08621	3.9
159.11699	4.9
163.07455	2.2
163.11226	8.1
165.09137	1.8
165.12746	2.5
167.07059	10.6
167.11758	5.6
175.11119	2.6
177.12805	7.9
187.11143	5.5
193.12251	38.3
195.11288	2.5
197.05914	1.7
205.12256	32.8
221.07338	1.7
223.13297	34.9
230.07996	2.1
241.12210	2.3
241.14432	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	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01884	3.6
55.05518	10.3
56.05031	1.8
56.96578	1.5
57.03424	2.9
65.03941	2.1
67.05512	10.8
69.03435	26.9
69.07069	6.7
70.06575	4.1
71.04984	4.6
71.23567	2.5
71.98260	1.6
71.98669	1.6
79.05499	9.1
81.03403	5.9
81.07063	12.6
82.06590	3.1
83.04989	47.1
83.08606	3.1
84.04523	1.9
84.08139	5.9
85.02904	5.8
85.06556	3.5
86.09708	4.1
86.18985	1.5
91.05499	10.8
93.07051	21.5
95.04978	100.0
95.08601	12.2
97.02884	4.9
97.06541	14.1
98.97584	2.9
99.04463	5.1
101.05965	1.6
105.07033	6.8
107.04964	11.9
107.08597	16.4
109.02882	1.7
109.06530	60.7
109.07274	3.3
109.10170	6.4
111.04424	5.5
111.05584	2.9
111.08093	9.8
111.08805	1.7
112.07565	1.8
113.06001	5.6
115.23323	1.5
117.07026	5.0
119.08575	10.5
121.06511	22.7
121.10155	10.5
122.09648	2.5
123.04426	2.2
123.08084	8.1
125.06032	10.8
125.06820	1.9
125.09669	2.3
128.06207	1.3
129.07001	1.8
131.08580	3.8
133.06435	2.4
133.10133	3.5
135.04448	4.0
135.08075	16.2
135.11693	6.9
137.06010	2.2
137.09674	5.0
139.05066	1.5
139.07544	25.2
143.08551	2.4
145.10086	5.7
147.08038	2.7
147.11700	2.6
147.56827	1.7
149.06029	3.0
149.09630	23.3
151.07562	2.5
152.14365	1.7
153.09120	2.9
156.10242	1.5
157.06525	3.1
157.08580	1.5
157.10095	2.0
159.07942	1.8
159.11732	7.6
163.07503	2.7
163.11201	6.9
165.09148	3.6
165.12738	1.7
167.07101	9.0
167.08423	2.3
167.11876	3.5
175.11188	3.4
177.09198	2.1
177.12804	7.6
179.10858	2.2
181.04893	2.1
181.06392	1.8
181.08682	2.2
187.11198	3.9
193.12265	37.5
195.08076	1.8
195.11349	4.9
197.05899	1.6
205.08766	1.5
205.12268	32.7
219.63278	2.8
221.07498	3.1
223.13297	36.7
241.08630	4.3
241.14384	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	240.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
55.05517	13.3
57.03427	6.7
62.05799	3.4
62.06095	42.5
65.03909	2.5
67.05508	65.7
69.03419	2.6
69.07072	10.6
69.22381	3.7
69.22791	13.0
70.06588	1.7
70.40916	1.6
70.99000	1.7
71.04980	5.4
72.04516	2.9
72.08164	1.6
79.05494	28.1
81.03409	5.2
81.06593	2.8
81.07056	44.8
83.04975	4.1
83.08619	3.4
91.05474	14.2
93.07043	28.2
95.04970	10.6
95.08613	100.0
95.26633	1.6
96.08913	1.7
97.06516	1.8
98.21587	2.1
100.07603	1.9
103.05448	1.7
103.11945	1.6
103.92832	1.4
105.07046	18.7
107.08602	21.0
109.06515	5.5
109.09470	3.0
109.10165	41.4
110.10490	1.9
117.07011	2.3
119.08578	22.9
120.08888	1.6
121.06511	1.6
121.10136	6.0
123.08078	7.1
123.11694	2.6
133.10117	6.5
135.11720	8.6
137.09641	9.9
142.12296	11.7
149.13249	9.6
151.14821	19.3
161.13242	10.1
170.11754	4.3
179.14362	13.0
212.10588	1.5
222.18536	3.0
240.06537	2.4
240.12289	2.2
240.19594	74.2
241.19688	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	240.196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
67.05494	0.8
69.07037	0.5
69.91306	1.9
70.06590	0.4
72.04504	1.0
74.06069	0.6
79.05507	0.8
81.07047	1.4
82.06592	0.4
88.80920	0.4
93.07038	1.4
94.06522	0.8
95.08591	1.7
96.08141	0.4
97.11687	0.4
107.08589	0.7
108.08115	0.9
109.08860	0.5
112.07583	0.7
114.09148	0.5
120.08111	0.4
120.12248	0.4
122.09700	0.8
124.07594	5.3
126.09196	0.5
135.11711	1.2
136.11226	2.3
137.13234	0.7
138.09129	0.9
139.09915	1.2
140.10692	0.9
142.12270	1.4
148.07567	0.8
150.12761	1.9
151.13580	0.8
152.10713	2.3
152.14291	0.7
153.11525	0.8
154.12276	2.0
166.12270	5.0
167.13066	2.3
168.13802	0.9
178.15865	0.6
194.15443	1.9
196.16977	100.0
197.17316	1.5
198.18524	1.8
223.44600	0.4
240.19598	47.0
241.19891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.237
Annotation	Bombykol
Peak:m/z	Relative Intensity
52.78783	0.5
53.00331	0.5
53.03958	1.5
55.05514	23.3
57.03439	0.5
57.07078	100.0
57.31197	0.7
59.05008	0.8
60.66777	0.5
65.03947	1.6
67.05508	52.3
69.07071	22.4
70.57068	0.6
71.05000	1.5
71.08636	57.6
71.70168	0.5
72.04510	1.1
76.01710	0.5
79.05493	3.5
81.07060	53.1
83.08623	28.7
85.06552	2.4
85.10186	28.0
89.06045	1.7
91.05474	0.9
93.07066	2.9
93.97714	0.5
95.08611	73.2
97.10168	10.8
99.04501	0.8
99.08095	1.6
99.11726	0.7
105.07026	0.7
107.08572	0.5
109.10163	27.7
110.49823	0.5
111.11710	1.5
123.11714	7.9
125.13240	0.8
131.08615	0.7
137.13260	2.1
151.14796	0.8
155.08546	1.2
157.10175	1.0
169.10117	1.1
170.67876	0.5
171.11642	0.8
183.11652	0.9
197.13200	0.6
239.08876	2.3
239.14351	1.0
239.17990	3.7
239.23657	2.3
243.00768	0.5
258.96683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1644
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03939	5.8
54.28187	1.9
55.01864	9.1
55.05265	3.9
55.05512	47.0
55.05786	2.5
57.03440	5.3
57.07080	6.1
59.04986	2.7
60.33239	2.0
65.03931	12.7
67.05503	39.7
68.99798	3.4
69.03421	13.5
69.07070	33.0
71.05001	18.6
71.08616	2.8
71.50381	2.9
71.50800	2.6
79.05494	32.1
81.03424	2.9
81.07059	100.0
83.04983	8.6
83.08621	19.0
85.02900	2.6
85.06022	3.8
85.06545	82.0
91.05481	21.5
93.03425	6.3
93.07051	52.3
95.04971	15.7
95.08612	88.9
96.08968	2.2
97.06550	23.8
97.10173	51.8
99.04491	2.7
99.08090	14.2
99.56447	2.3
104.08092	2.4
105.07039	54.0
106.07451	2.3
107.04964	4.2
107.08589	67.1
109.06517	20.0
109.10168	34.5
111.04470	3.2
111.08066	14.6
113.06023	3.3
113.09644	3.2
117.07027	5.0
119.08582	54.0
121.06496	7.3
121.10157	27.3
123.04438	3.9
123.08073	10.8
123.11704	40.3
125.06006	6.0
125.09621	15.8
127.07553	5.7
128.06204	2.7
129.05481	5.8
131.08553	4.8
133.06493	5.1
133.10127	30.6
134.83366	2.1
135.08058	6.7
135.11726	11.1
137.06007	6.7
137.09610	8.2
137.13292	2.8
139.07549	17.2
139.11201	2.6
142.12334	2.8
143.08572	6.9
145.10124	5.2
147.08092	12.7
147.11653	13.4
149.09676	2.8
149.13268	7.9
151.07515	4.7
151.11244	3.4
151.14819	5.8
153.09088	5.3
155.07069	5.8
155.08446	5.2
157.10149	7.2
159.11720	11.5
161.09607	8.6
161.13260	71.4
163.11234	3.5
163.58325	2.0
165.06960	4.8
165.09084	4.5
165.12752	3.9
169.08553	2.1
169.10141	2.7
170.41486	2.3
175.11238	7.8
175.14838	24.2
177.12704	3.3
179.03421	2.6
179.07037	3.2
179.10637	5.1
179.14296	23.7
183.08093	3.9
183.11684	3.2
185.11714	2.6
185.13225	14.0
193.08655	2.7
193.15891	27.3
197.15402	3.3
203.14336	52.1
203.17987	2.5
221.15359	56.2
221.17337	4.0
235.85127	2.5
239.06969	5.2
239.08957	19.6
239.14087	5.8
239.16284	50.6
239.20129	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	238.1076
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
53.03956	0.8
55.01875	0.8
55.05511	2.4
56.05019	0.6
56.79858	0.6
56.96568	8.9
57.03434	0.9
61.13322	0.6
65.03955	0.8
68.05048	0.6
69.03436	1.9
69.07059	2.5
69.36526	0.6
69.36828	5.8
70.06594	5.9
72.08151	3.3
73.02937	0.9
79.05490	3.2
81.03435	0.9
81.07077	1.2
83.08626	3.2
84.04499	0.8
84.08155	2.3
84.96043	0.8
85.02908	1.8
86.22459	0.6
90.05595	0.8
91.05477	4.3
92.46430	0.8
94.06574	0.7
95.04993	1.4
97.02898	1.8
98.86621	0.7
98.97601	5.3
103.05480	7.9
105.07039	16.0
106.06529	1.5
107.04945	4.7
111.04453	1.4
112.07619	1.0
116.07108	1.7
116.98651	2.1
117.05773	2.6
118.06560	8.4
119.07330	13.7
119.08215	0.7
119.08568	1.3
120.08115	12.7
120.99584	1.7
121.06487	1.3
121.08459	3.1
122.06040	1.7
124.00713	0.8
124.03945	7.4
124.99120	0.9
128.06163	1.5
128.98593	1.3
129.07002	6.5
130.06487	1.3
131.00195	0.7
131.04942	2.4
131.07324	1.9
132.08098	7.6
132.98100	0.9
135.04478	0.9
137.02415	0.8
139.03935	3.6
143.00175	1.8
146.09656	92.0
146.99626	0.8
147.10013	1.1
148.84933	0.6
149.05949	0.8
150.09196	3.4
150.25446	0.7
152.98621	0.7
153.00749	0.6
153.01758	3.7
154.94165	1.6
158.99678	1.3
161.01228	2.4
163.03920	1.6
164.10756	2.6
167.11826	1.0
170.04842	1.1
170.99542	0.8
171.05252	1.5
172.95302	1.3
174.09140	0.8
177.00652	0.9
178.08649	1.8
188.05928	1.7
189.06264	1.3
192.06540	2.1
192.10204	100.0
193.10495	1.8
194.99586	1.0
201.00638	0.9
210.11256	1.0
213.00780	2.1
214.03886	1.5
214.52971	1.0
215.04221	2.6
219.01732	1.0
232.04959	3.5
233.05263	4.2
237.02937	1.0
238.05432	1.1
238.08372	1.3
238.10744	14.4
238.14383	1.2
239.09045	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.4
53.03932	1.1
55.01869	2.6
55.05521	7.0
56.05026	1.5
56.96569	23.5
57.03438	2.1
61.02916	1.2
67.05508	1.5
69.03426	5.5
69.07075	1.6
70.06602	10.9
70.43409	3.0
71.05005	1.3
71.95283	1.9
72.08160	17.8
73.02899	2.3
74.00670	1.5
74.06079	0.9
79.01859	10.8
79.05490	2.7
81.03445	2.0
81.07055	6.9
83.08629	2.0
84.04516	2.2
84.08150	5.3
84.96033	2.5
85.02914	8.0
85.06539	1.1
86.09713	3.1
87.04478	1.1
88.03999	7.1
89.42831	1.1
91.05476	1.9
93.07021	2.0
95.04968	1.9
95.08639	1.1
97.02902	5.6
98.97596	53.3
99.08083	1.7
103.05493	1.8
105.07009	2.1
106.06565	2.2
106.07329	1.1
107.01326	2.1
107.04955	2.8
108.08144	1.6
109.02898	1.4
110.06032	1.2
110.97571	5.2
111.04487	1.3
111.54997	1.2
112.07567	1.3
112.99148	5.3
113.11123	0.9
114.05542	3.8
116.07114	2.2
116.98631	18.2
118.06579	1.5
118.92073	1.3
119.00095	1.0
119.07359	1.3
120.01170	2.0
120.08098	2.1
120.99586	7.2
121.02912	1.6
121.10184	1.3
122.06051	11.5
125.02371	4.0
128.02350	1.2
128.98619	4.9
129.05302	1.1
131.00220	5.6
133.06477	1.1
134.05995	1.4
134.99677	2.8
135.04439	2.2
136.06180	1.5
136.93129	4.8
137.02303	2.4
138.02203	4.0
139.03940	2.4
143.00192	3.1
143.03410	7.6
146.06021	5.9
146.09660	12.1
146.99669	1.7
147.06377	12.2
149.01286	1.2
150.09163	20.2
152.07082	0.9
152.10719	3.4
153.01851	100.0
153.02966	7.9
154.02135	3.3
154.94229	6.0
158.99652	6.1
161.01236	5.3
161.02840	1.6
162.03647	2.0
162.09032	1.1
163.03900	9.8
164.10609	1.5
167.11835	5.9
169.01697	1.0
170.99683	2.5
172.95271	11.0
173.01242	4.4
177.00706	4.5
179.02312	7.1
185.01250	1.4
187.02690	1.4
189.00754	2.0
189.04379	1.1
189.06229	1.1
190.96312	3.8
191.02271	2.8
192.06516	1.5
192.10202	14.0
192.11935	1.2
197.01378	0.9
197.03241	4.7
201.00702	2.1
210.99158	1.4
213.00737	2.5
214.96414	1.9
214.98595	1.7
215.04138	1.9
215.06038	1.4
219.01765	8.2
220.07870	1.1
220.09846	1.3
221.03323	1.9
221.16537	3.5
229.00233	3.9
231.01759	2.8
232.97533	1.5
232.99704	0.9
233.03162	1.2
233.05153	2.6
237.02809	7.9
237.97896	0.9
238.04086	4.1
238.08853	1.0
238.10875	6.5
238.14352	2.0
238.19174	6.2
239.08977	1.0
247.04733	5.8
249.02785	1.6
250.08563	1.4
252.10219	2.2
253.00179	1.2
256.03662	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.185
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03953	3.9
53.86073	2.7
55.01872	5.0
55.05516	44.7
57.03440	5.3
57.07078	11.7
59.04990	2.7
67.05505	47.9
69.03436	18.0
69.06727	4.3
69.07074	48.5
70.13698	8.4
71.04998	21.4
71.08648	3.9
79.05502	31.1
81.07063	100.0
83.04996	26.2
83.08636	14.5
85.02916	5.6
85.06557	18.2
91.05488	28.8
93.07048	68.5
95.04985	23.0
95.08614	79.9
97.06530	21.1
97.10168	7.0
99.04475	6.5
99.08099	10.5
105.07042	44.1
107.04984	3.6
107.08605	63.9
109.06540	23.1
109.10166	52.0
111.04472	7.4
111.08096	16.3
111.11739	4.7
113.05990	4.5
117.07020	7.7
119.08595	31.0
121.06511	10.1
121.10159	59.2
123.08097	16.1
123.11701	17.6
125.06009	3.2
125.09659	14.5
127.07525	3.5
127.11199	9.3
131.08556	12.5
133.10138	28.0
135.08098	10.2
135.11703	34.2
137.09624	11.3
137.13297	5.6
139.11154	13.4
145.10129	32.5
147.11714	10.1
149.05989	2.7
149.09624	6.5
149.13287	13.2
151.11206	16.0
153.12755	3.6
159.08083	3.9
159.11714	29.5
161.13263	23.3
163.03922	6.1
163.07635	3.8
163.11229	9.8
163.14880	8.8
165.12772	2.9
173.13271	8.1
175.07626	3.1
175.14870	5.8
177.09398	2.7
177.12796	6.1
177.16446	3.5
179.14273	3.5
181.12279	4.7
191.03429	7.5
191.07025	3.2
191.14314	5.6
191.17961	9.8
193.15927	4.3
195.11624	3.0
201.16383	21.6
209.04413	3.2
219.06554	4.4
219.13959	7.4
219.17499	28.7
237.03914	3.5
237.14743	13.5
237.18510	55.6
237.20975	3.0
237.22174	10.5
239.79636	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	237.1851
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03947	8.8
55.01862	11.7
55.05513	83.8
57.03426	8.1
57.07074	8.9
59.04980	10.6
65.03955	3.5
67.05508	42.4
69.03416	12.2
69.07071	42.0
71.04997	40.9
71.51567	5.7
79.05491	42.9
81.03378	3.9
81.07059	77.8
83.04980	100.0
83.08625	10.3
85.06532	10.9
87.27851	3.9
91.05479	38.2
93.07045	66.2
95.04993	30.8
95.08607	60.8
97.02932	6.3
97.06548	36.9
98.97581	4.7
99.04484	3.9
99.08090	11.4
105.06400	5.9
105.07033	58.1
107.04961	16.5
107.08599	66.7
109.06523	26.8
109.10152	45.3
111.04440	5.7
111.08092	17.4
115.05524	4.9
117.07033	20.7
119.04951	4.2
119.08573	35.0
121.06514	16.6
121.10151	66.8
123.04408	4.7
123.08072	26.0
123.11722	22.7
124.12160	4.1
125.09652	11.9
127.11233	18.5
129.06992	5.7
131.08572	39.5
133.06512	5.5
133.10135	85.5
134.10443	4.2
135.04414	4.5
135.08078	31.9
135.11707	21.4
137.05963	4.2
137.09607	10.6
139.07477	6.0
139.11188	31.7
143.08594	6.6
144.09317	4.7
145.06566	4.8
145.10146	29.3
147.08124	4.5
147.11690	22.6
149.09607	8.5
149.13286	24.3
151.07581	5.8
151.11197	51.4
153.09052	4.8
153.12753	10.2
155.10623	5.5
156.13837	7.6
157.10127	5.2
159.08057	11.9
159.11696	43.3
161.09616	6.3
161.13251	13.0
163.03935	17.2
163.07610	7.5
163.11227	14.2
173.06046	5.4
173.13284	21.5
175.11211	5.0
177.09099	5.1
177.12767	25.3
177.16486	3.8
181.01323	8.3
181.08540	5.3
191.03455	27.5
191.10672	5.5
191.14328	18.6
191.17929	9.0
193.12328	8.5
195.02869	9.9
201.12755	18.3
201.16388	14.9
209.04372	6.9
219.02798	10.0
219.06400	4.8
219.13843	43.7
219.17404	32.6
237.03969	17.1
237.07565	9.7
237.14818	53.9
237.18544	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	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
52.34426	1.9
52.85514	2.7
52.95041	2.0
53.03956	5.3
53.90601	2.0
55.01858	6.4
55.05514	41.3
57.03426	4.8
57.07066	10.4
65.03962	4.3
67.05509	46.0
69.03439	17.2
69.07074	38.1
69.91142	11.2
71.05003	20.1
71.08644	3.3
79.05498	37.3
81.03429	3.4
81.07062	100.0
83.04983	23.3
83.08625	14.1
85.06565	12.2
85.59879	2.2
91.05478	22.7
93.07050	63.0
95.04973	11.6
95.08611	82.0
97.06535	14.5
97.10172	10.4
98.97553	2.4
99.04462	4.1
99.08092	8.1
100.51745	2.1
103.05453	2.9
105.04522	2.3
105.07034	63.4
106.09779	2.3
107.04968	8.8
107.08601	67.2
109.06545	15.2
109.10159	48.6
111.04457	2.3
111.08079	9.9
111.11720	3.4
113.06039	2.9
117.07020	8.2
119.08597	38.8
121.06489	7.1
121.10155	64.3
123.08055	10.7
123.11723	22.3
125.05957	3.6
125.09634	7.9
127.07598	3.6
127.11208	7.1
129.07002	2.6
131.08588	19.4
133.10141	47.6
135.08080	8.8
135.11681	28.1
135.35765	2.4
137.09612	13.6
137.13234	6.7
139.07503	3.5
139.11186	9.5
144.09386	3.7
145.10141	34.3
147.11662	12.7
149.05952	2.2
149.09618	7.5
149.13298	14.8
151.11217	14.4
153.01778	4.3
153.05492	3.0
153.12730	5.7
155.10707	3.1
159.11723	25.8
161.13258	37.0
163.03899	10.1
163.07495	2.4
163.11198	10.0
163.14763	12.5
167.10692	2.5
173.13277	10.5
175.14847	6.3
177.05412	2.3
177.12801	7.3
177.16379	7.8
179.14293	2.6
181.08434	2.5
181.12218	3.2
191.03372	14.2
191.14281	8.5
191.17932	9.4
195.11766	3.8
201.16383	29.2
219.13837	6.1
219.17455	26.8
219.21033	4.5
232.64003	2.2
237.03923	6.6
237.07358	2.7
237.10992	3.4
237.14684	15.7
237.16783	2.0
237.18536	42.3
237.22118	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	237.1851
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
51.02372	3.2
53.03938	8.1
55.01872	19.5
55.05514	38.4
57.03439	21.5
57.07061	6.7
57.37147	1.9
59.04985	3.8
61.93555	1.9
65.03934	6.7
66.42241	1.8
67.05507	32.0
68.99790	4.9
69.03432	20.5
69.07072	19.1
70.68841	5.0
70.69199	3.7
71.04602	2.5
71.04996	39.8
77.03909	2.8
79.05072	3.9
79.05498	55.2
81.03419	4.0
81.07057	71.9
83.04984	49.8
83.08618	6.1
85.02908	4.1
85.06538	9.1
87.04474	5.4
89.03920	5.0
89.62582	2.0
91.05483	50.1
92.05817	2.0
93.03389	3.9
93.06479	4.3
93.07048	57.3
95.04971	30.2
95.08607	34.9
97.02891	5.0
97.06538	20.9
97.10185	4.0
99.04443	7.7
99.08124	10.0
103.05473	8.4
105.03426	2.1
105.04510	3.0
105.07040	46.4
107.04959	44.4
107.08595	52.2
109.02892	2.7
109.06529	29.9
109.10168	31.9
111.00827	6.3
111.04467	14.6
111.08086	12.1
113.06026	3.9
115.05460	13.1
117.03382	4.2
117.07026	28.5
119.04945	8.5
119.08584	31.4
120.08117	28.7
121.02813	4.3
121.06514	19.9
121.08862	3.7
121.10155	33.6
122.09661	5.9
123.04436	7.1
123.08084	19.1
123.11702	18.8
125.02360	4.0
125.06002	10.2
125.09617	12.6
127.03915	2.4
127.07545	4.8
127.11207	27.3
128.06120	2.9
129.07007	5.4
131.04927	3.4
131.08585	21.6
133.06470	9.3
133.10141	52.0
135.04425	18.1
135.08070	30.2
135.11694	14.9
137.02432	2.3
137.05980	20.1
137.09615	6.8
139.03925	6.5
139.07535	14.6
139.11186	15.5
143.08514	2.9
143.10645	3.6
144.09329	3.3
145.02861	5.5
145.06509	13.9
145.10129	26.7
147.04399	9.8
147.08041	7.3
147.11696	15.3
149.02332	17.0
149.03403	3.5
149.05968	9.7
149.08466	2.6
149.09613	9.6
149.13257	9.6
150.09178	4.9
151.07533	6.6
151.11195	43.3
153.01859	30.2
153.02989	4.7
153.05450	4.0
153.09091	3.2
153.12729	4.1
155.10689	6.4
159.08022	4.9
159.11728	24.0
161.05981	3.0
161.09714	3.0
161.13261	6.4
163.03917	64.5
163.07558	30.1
163.11221	10.8
164.04318	3.3
164.10681	3.5
165.05466	9.0
166.08635	7.6
167.03432	3.6
167.07072	4.9
173.05997	20.5
173.09818	2.5
173.13281	14.0
175.03949	2.8
175.07559	4.1
175.14848	3.7
177.01855	3.1
177.05446	14.9
177.09123	9.0
177.12750	17.6
179.07024	3.0
181.01355	11.9
181.04968	7.0
181.08612	2.7
181.12350	4.1
183.11722	5.1
191.03407	100.0
191.07039	86.9
191.08824	4.1
191.10678	9.4
191.14308	15.3
191.18045	3.0
192.10211	5.9
193.05032	14.6
193.08611	4.6
193.12256	9.6
195.02922	12.2
195.06421	2.8
201.05443	9.5
201.12735	17.0
201.16434	13.1
209.04459	25.9
209.07944	2.3
210.11267	2.5
219.02982	22.3
219.06514	44.5
219.10155	8.1
219.13828	31.5
219.17424	17.1
237.03929	37.3
237.07588	90.4
237.11182	3.6
237.14790	29.2
237.18556	26.7
237.22145	4.7
238.10744	7.2
253.24120	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	Godotol A
Peak:m/z	Relative Intensity
55.01868	7.2
55.05517	29.2
57.03437	9.4
57.07072	5.0
59.04992	5.7
65.03943	3.0
66.03018	3.7
67.05508	51.2
69.03424	25.1
69.07069	32.6
71.05003	38.0
79.05499	38.0
81.07061	100.0
83.04977	11.2
83.08624	17.3
85.06541	13.7
91.05480	22.2
93.07046	62.0
95.04967	18.2
95.08610	74.8
97.06549	24.6
97.10182	11.1
98.20703	7.2
98.97585	4.7
99.04500	3.9
99.08125	13.0
105.07027	42.7
107.04946	4.1
107.08594	47.3
109.02883	4.0
109.06544	31.7
109.10157	55.9
111.08102	14.1
117.07030	9.6
119.07842	3.8
119.08592	22.7
121.06528	6.0
121.10161	44.0
123.08091	20.3
123.11720	23.9
125.09659	16.0
127.07501	4.8
127.11224	44.2
130.07777	4.8
131.08549	19.7
133.10152	43.9
135.08041	9.1
135.11719	26.6
137.09634	8.0
139.07576	8.6
139.11209	8.9
143.10712	3.5
145.10127	37.7
147.11703	12.2
149.09645	6.7
149.13310	11.2
151.03940	4.3
151.11185	56.0
153.01868	11.5
153.12715	15.8
155.10709	11.6
155.81059	3.4
157.10133	4.5
159.11710	28.8
161.13260	13.8
163.03928	10.9
163.11237	12.2
163.14799	4.4
173.13278	9.5
177.12750	9.8
177.16373	7.1
191.03423	11.7
191.14322	7.6
191.17935	7.0
201.12715	4.4
201.16350	16.6
209.04478	4.4
210.48549	3.3
219.13828	8.8
219.17503	19.7
237.03978	6.5
237.12796	4.0
237.14789	16.7
237.18532	35.2
237.22108	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03944	1.3
55.01873	1.3
55.05512	5.1
57.03421	1.1
57.07083	4.3
59.04993	2.9
65.03938	0.6
67.05515	7.5
69.03412	2.2
69.07067	6.4
71.05003	4.7
71.51265	0.6
71.51623	0.7
72.08121	0.7
79.05495	7.2
81.03408	1.9
81.06592	0.9
81.07059	16.0
83.01305	0.9
83.04985	7.8
83.08619	2.9
85.02908	7.0
85.06538	3.5
88.19703	0.5
91.05480	9.0
92.21907	0.5
93.07047	17.5
93.07637	1.1
95.04977	7.5
95.08602	10.5
97.06540	3.7
99.04453	4.9
99.08093	1.3
105.07021	9.0
107.04958	1.7
107.08600	11.4
109.05800	1.1
109.06518	17.7
109.10160	7.0
111.04488	0.9
111.08092	4.0
113.06048	0.8
115.05435	1.3
117.07026	4.3
119.08575	9.9
121.05676	0.8
121.06511	11.9
121.10139	10.2
123.04321	0.5
123.08035	3.5
123.11716	2.2
123.34156	0.6
125.06035	0.8
125.09641	2.4
127.07529	0.6
127.11262	1.1
129.06993	2.6
131.08583	7.6
133.10153	6.4
135.04410	0.9
135.08064	13.1
135.11707	4.3
137.05984	9.6
137.09616	2.0
137.13240	0.6
139.07553	5.4
139.11159	1.0
142.07747	0.7
143.08589	1.4
144.09361	5.0
145.06493	1.2
145.10095	3.9
146.06038	0.7
147.04376	0.8
147.08125	0.7
147.11668	2.0
149.05937	0.8
149.09641	2.2
149.13260	4.2
151.07513	5.1
151.11159	2.3
153.01869	1.0
153.09106	3.8
157.10172	1.3
158.10851	0.8
159.08090	1.4
159.11697	31.2
160.12004	0.7
161.09595	3.6
161.13243	1.5
163.03951	5.0
163.07527	10.8
163.11160	1.6
163.14807	0.8
164.08308	1.0
173.13260	3.8
175.11272	0.8
177.12753	9.0
179.10657	2.1
181.01385	1.0
181.08601	16.6
189.12674	0.8
191.03429	7.2
191.07063	0.9
191.14252	1.8
191.18005	1.0
194.19032	1.5
195.02960	1.1
195.11934	0.8
195.13847	1.8
201.05322	0.6
201.12764	2.6
201.16376	2.0
209.04472	1.6
219.02904	1.4
219.13832	8.9
219.17427	2.2
237.03983	3.5
237.07458	1.9
237.14850	100.0
237.18231	5.2
237.22144	2.2
238.15247	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.5
53.03947	0.5
55.01860	1.3
55.05515	2.5
57.03440	0.8
57.07075	0.3
59.05014	1.7
61.15591	0.3
64.96208	0.4
65.03936	0.9
67.05511	5.1
68.99780	0.6
69.03424	1.3
69.07067	1.3
70.06592	0.4
71.04994	1.5
71.11558	0.4
71.11905	0.3
75.91730	0.4
79.01862	5.1
79.05499	3.4
81.03437	0.7
81.07067	3.2
83.05003	1.8
83.08587	0.5
85.02913	0.8
85.06538	1.6
87.00814	0.3
89.03931	0.4
90.47833	0.3
91.05498	3.5
93.07056	4.9
95.04963	1.6
95.08617	5.6
97.02900	1.9
97.06532	1.2
98.97595	0.8
103.05460	0.9
105.03364	0.4
105.07030	3.6
107.01324	1.0
107.04975	1.5
107.08598	3.6
109.06525	0.8
109.10178	0.9
111.04438	0.7
111.08102	0.8
112.99176	0.3
115.05463	0.9
117.07008	2.7
119.04969	0.7
119.08582	2.1
120.08137	0.3
121.02812	0.5
121.06535	2.2
121.10153	4.3
123.04442	1.1
123.08071	3.7
125.02357	3.5
125.05966	0.5
126.90619	0.4
127.84914	0.4
128.06230	0.5
129.06992	2.0
131.04980	0.8
131.08548	2.1
133.02815	0.9
133.06444	0.4
133.10088	1.7
135.04466	0.7
135.08078	2.0
135.11674	0.6
137.06018	0.4
137.09624	0.5
139.03932	0.9
139.07518	0.5
139.11227	0.5
141.06915	0.3
143.03407	6.3
143.08556	0.4
145.06506	4.7
145.10138	1.0
146.05983	0.3
147.04434	0.5
147.08018	2.0
147.11757	0.6
149.02382	1.8
149.05977	0.6
149.09569	1.0
149.13315	0.6
151.11217	0.8
153.01843	100.0
153.02910	6.1
154.02232	0.9
157.06512	1.2
159.08081	0.8
159.11749	2.4
161.13345	0.4
163.03978	3.0
163.07536	2.0
163.11250	0.8
165.05559	0.7
168.09352	0.3
173.06006	6.0
173.09599	0.3
173.13315	1.7
175.07607	2.4
175.11209	0.3
177.01930	0.5
177.05486	1.5
177.12778	1.3
179.03435	5.6
181.01340	7.1
181.08675	0.6
183.11656	0.5
191.03419	3.8
191.07053	2.3
191.10771	0.6
191.14261	0.7
193.05066	1.6
193.08560	2.2
193.12260	0.4
195.02956	0.8
201.05476	1.5
201.12749	1.0
201.16341	0.4
207.13753	0.4
209.04471	0.9
219.03091	0.7
219.06531	5.0
219.10208	1.2
219.13783	2.4
219.17361	0.7
237.03949	1.5
237.07550	5.4
237.11234	0.4
237.14775	4.7
237.16641	0.5
237.18715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.5
53.03947	0.5
55.01860	1.3
55.05515	2.5
57.03440	0.8
57.07075	0.3
59.05014	1.7
61.15591	0.3
64.96208	0.4
65.03936	0.9
67.05511	5.1
68.99780	0.6
69.03424	1.3
69.07067	1.3
70.06592	0.4
71.04994	1.5
71.11558	0.4
71.11905	0.3
75.91730	0.4
79.01862	5.1
79.05499	3.4
81.03437	0.7
81.07067	3.2
83.05003	1.8
83.08587	0.5
85.02913	0.8
85.06538	1.6
87.00814	0.3
89.03931	0.4
90.47833	0.3
91.05498	3.5
93.07056	4.9
95.04963	1.6
95.08617	5.6
97.02900	1.9
97.06532	1.2
98.97595	0.8
103.05460	0.9
105.03364	0.4
105.07030	3.6
107.01324	1.0
107.04975	1.5
107.08598	3.6
109.06525	0.8
109.10178	0.9
111.04438	0.7
111.08102	0.8
112.99176	0.3
115.05463	0.9
117.07008	2.7
119.04969	0.7
119.08582	2.1
120.08137	0.3
121.02812	0.5
121.06535	2.2
121.10153	4.3
123.04442	1.1
123.08071	3.7
125.02357	3.5
125.05966	0.5
126.90619	0.4
127.84914	0.4
128.06230	0.5
129.06992	2.0
131.04980	0.8
131.08548	2.1
133.02815	0.9
133.06444	0.4
133.10088	1.7
135.04466	0.7
135.08078	2.0
135.11674	0.6
137.06018	0.4
137.09624	0.5
139.03932	0.9
139.07518	0.5
139.11227	0.5
141.06915	0.3
143.03407	6.3
143.08556	0.4
145.06506	4.7
145.10138	1.0
146.05983	0.3
147.04434	0.5
147.08018	2.0
147.11757	0.6
149.02382	1.8
149.05977	0.6
149.09569	1.0
149.13315	0.6
151.11217	0.8
153.01843	100.0
153.02910	6.1
154.02232	0.9
157.06512	1.2
159.08081	0.8
159.11749	2.4
161.13345	0.4
163.03978	3.0
163.07536	2.0
163.11250	0.8
165.05559	0.7
168.09352	0.3
173.06006	6.0
173.09599	0.3
173.13315	1.7
175.07607	2.4
175.11209	0.3
177.01930	0.5
177.05486	1.5
177.12778	1.3
179.03435	5.6
181.01340	7.1
181.08675	0.6
183.11656	0.5
191.03419	3.8
191.07053	2.3
191.10771	0.6
191.14261	0.7
193.05066	1.6
193.08560	2.2
193.12260	0.4
195.02956	0.8
201.05476	1.5
201.12749	1.0
201.16341	0.4
207.13753	0.4
209.04471	0.9
219.03091	0.7
219.06531	5.0
219.10208	1.2
219.13783	2.4
219.17361	0.7
237.03949	1.5
237.07550	5.4
237.11234	0.4
237.14775	4.7
237.16641	0.5
237.18715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20208	0.5
51.08929	0.5
53.03957	1.2
55.01864	1.8
55.05514	6.4
57.03442	0.6
57.07083	0.7
59.05011	0.7
65.03934	1.5
67.05507	3.5
67.33805	0.5
68.99822	0.8
69.03425	2.4
69.07077	2.8
71.05002	4.2
71.51572	0.8
77.03950	0.5
79.05493	10.4
81.03448	0.6
81.07060	9.9
83.04987	7.3
83.08605	1.1
85.02879	0.5
85.06535	1.3
87.04478	0.7
89.03896	2.7
90.55785	0.5
91.05484	7.5
93.03412	0.9
93.07043	4.6
95.05005	2.5
95.08612	5.3
97.06525	2.2
97.10185	0.6
99.04495	0.7
99.08101	2.4
103.05505	0.6
105.04532	0.8
105.07035	4.5
107.04962	14.0
107.08590	5.9
109.06528	2.0
109.10151	4.5
111.04459	1.7
111.08079	1.4
117.03391	4.7
117.06989	1.5
119.04955	4.0
119.08596	2.8
121.02904	0.9
121.06518	1.5
121.10146	5.7
123.04432	0.6
123.08054	1.1
123.11711	3.3
125.09621	1.0
127.07582	1.2
127.11211	3.1
131.08583	1.9
133.10135	6.4
135.04419	8.5
135.08047	1.7
135.11720	1.8
137.02328	0.7
137.09560	0.7
137.13315	0.7
139.03923	5.8
139.11183	2.3
145.02882	4.3
145.10117	3.0
147.04393	3.1
147.11696	1.9
149.02319	1.7
149.09660	1.2
149.13278	1.5
151.11195	6.5
153.01797	1.1
153.05391	1.2
153.12753	1.0
155.10710	0.9
159.11697	2.3
161.13326	0.5
163.03915	60.8
163.11206	2.0
164.04210	0.6
165.01833	0.8
165.12781	0.5
167.03415	2.1
173.02313	0.8
173.13284	1.3
175.03876	0.6
177.01874	0.7
177.09125	0.6
177.12724	0.9
179.03271	0.8
181.01299	1.2
181.04971	1.9
191.03403	100.0
192.03825	2.3
193.05038	0.7
195.02888	1.0
201.12747	0.8
201.16391	1.6
208.03622	1.4
209.04459	24.0
219.02902	22.6
219.06313	1.1
219.13811	1.5
219.17479	1.9
237.03949	40.7
237.07642	1.1
237.14804	2.1
237.18501	3.6
237.22217	0.8
238.04265	0.7
252.52016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0394
Annotation	2-Hydroxy-3-carboxybenzalpyruvate
Peak:m/z	Relative Intensity
50.20208	0.5
51.08929	0.5
53.03957	1.2
55.01864	1.8
55.05514	6.4
57.03442	0.6
57.07083	0.7
59.05011	0.7
65.03934	1.5
67.05507	3.5
67.33805	0.5
68.99822	0.8
69.03425	2.4
69.07077	2.8
71.05002	4.2
71.51572	0.8
77.03950	0.5
79.05493	10.4
81.03448	0.6
81.07060	9.9
83.04987	7.3
83.08605	1.1
85.02879	0.5
85.06535	1.3
87.04478	0.7
89.03896	2.7
90.55785	0.5
91.05484	7.5
93.03412	0.9
93.07043	4.6
95.05005	2.5
95.08612	5.3
97.06525	2.2
97.10185	0.6
99.04495	0.7
99.08101	2.4
103.05505	0.6
105.04532	0.8
105.07035	4.5
107.04962	14.0
107.08590	5.9
109.06528	2.0
109.10151	4.5
111.04459	1.7
111.08079	1.4
117.03391	4.7
117.06989	1.5
119.04955	4.0
119.08596	2.8
121.02904	0.9
121.06518	1.5
121.10146	5.7
123.04432	0.6
123.08054	1.1
123.11711	3.3
125.09621	1.0
127.07582	1.2
127.11211	3.1
131.08583	1.9
133.10135	6.4
135.04419	8.5
135.08047	1.7
135.11720	1.8
137.02328	0.7
137.09560	0.7
137.13315	0.7
139.03923	5.8
139.11183	2.3
145.02882	4.3
145.10117	3.0
147.04393	3.1
147.11696	1.9
149.02319	1.7
149.09660	1.2
149.13278	1.5
151.11195	6.5
153.01797	1.1
153.05391	1.2
153.12753	1.0
155.10710	0.9
159.11697	2.3
161.13326	0.5
163.03915	60.8
163.11206	2.0
164.04210	0.6
165.01833	0.8
165.12781	0.5
167.03415	2.1
173.02313	0.8
173.13284	1.3
175.03876	0.6
177.01874	0.7
177.09125	0.6
177.12724	0.9
179.03271	0.8
181.01299	1.2
181.04971	1.9
191.03403	100.0
192.03825	2.3
193.05038	0.7
195.02888	1.0
201.12747	0.8
201.16391	1.6
208.03622	1.4
209.04459	24.0
219.02902	22.6
219.06313	1.1
219.13811	1.5
219.17479	1.9
237.03949	40.7
237.07642	1.1
237.14804	2.1
237.18501	3.6
237.22217	0.8
238.04265	0.7
252.52016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1643
Annotation	Huperzine W
Peak:m/z	Relative Intensity
53.03925	1.0
55.05510	4.5
57.03445	7.5
57.07077	2.2
62.13949	0.9
67.05495	1.1
71.52046	1.1
73.85633	0.8
74.62794	0.8
79.05487	2.4
81.05789	1.5
82.06585	0.9
91.05482	2.3
93.07027	2.4
94.06563	5.9
96.08111	1.7
101.06041	5.7
105.07018	1.6
106.06528	1.9
107.07318	1.3
107.08567	1.8
108.08134	7.2
109.75548	0.8
110.06013	1.0
110.09669	2.2
118.06554	1.1
118.76783	0.8
119.08552	2.4
120.08082	5.8
122.06001	2.1
122.09701	1.3
124.07581	8.6
126.09133	5.3
132.08115	4.1
133.08856	2.5
134.09663	5.0
135.10371	2.0
136.07532	1.9
136.11247	1.9
137.08325	2.7
138.08138	1.4
138.09145	16.5
146.09669	2.2
147.10429	1.1
148.11201	4.0
150.09125	6.8
152.07079	1.2
152.10657	1.3
162.12755	4.0
164.10732	9.8
165.11478	1.7
166.12300	17.3
173.54347	0.8
176.10637	1.4
178.12257	2.8
179.13048	3.8
180.13852	14.3
182.11769	14.5
189.11433	1.9
194.11766	33.0
208.17024	1.5
218.15440	9.0
236.16454	100.0
237.16701	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	236.073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	4.1
55.05516	13.5
56.05047	1.6
56.96569	45.3
56.96852	2.2
57.03435	8.2
57.07072	2.1
59.04994	1.6
60.04523	1.7
61.02927	5.4
66.12887	1.0
66.78784	0.9
67.05508	1.2
69.03436	14.9
69.07077	1.2
70.06589	3.7
70.98133	1.2
71.05000	2.6
71.50730	1.4
72.08152	2.0
73.02921	13.6
73.06567	14.7
74.06062	2.3
74.97650	1.1
79.01846	1.4
79.05486	1.3
81.03426	5.8
81.07052	1.4
83.04992	1.0
84.04512	2.0
84.08140	2.2
84.96040	3.5
85.02912	21.6
87.04472	3.1
88.03989	1.2
89.00768	2.6
91.05515	1.9
95.00789	1.3
95.04997	1.2
97.02896	20.7
97.06528	2.5
98.06048	1.1
98.97591	63.3
99.04459	2.4
99.97909	1.4
101.00852	3.1
101.02393	1.5
102.03357	1.1
102.05540	2.1
103.00675	1.3
104.01288	1.3
106.05025	3.2
107.04941	1.2
109.02892	4.8
110.01286	4.6
110.03124	1.6
110.97583	11.8
111.03883	1.4
112.99139	1.7
114.05582	1.2
115.00670	1.5
115.03922	1.5
116.98636	18.2
117.02029	1.5
117.03880	1.6
118.01028	1.6
119.01813	13.0
120.01997	1.3
120.08082	2.8
124.99153	1.7
125.03586	1.0
127.00722	2.3
127.03938	6.8
127.04787	0.9
128.02330	3.4
128.98613	7.2
129.02226	4.5
129.03877	1.1
130.08650	2.0
131.00182	2.7
131.01891	3.3
133.03392	1.2
134.99686	3.5
135.03036	1.0
135.04398	1.0
136.93147	1.1
137.05969	1.3
140.00211	1.1
140.02344	1.6
140.98631	1.7
143.00180	4.5
143.01857	3.0
145.01712	3.9
145.03459	1.5
145.04990	1.3
146.02390	4.6
146.04158	13.1
146.06010	16.3
146.99640	3.3
147.03273	7.8
148.03844	1.6
151.00682	2.2
152.02328	2.2
152.98654	1.8
153.00639	1.4
153.01840	8.8
153.03009	1.8
154.03825	1.3
154.94244	1.7
155.04665	100.0
155.54840	7.1
156.97603	1.1
158.98480	1.8
158.99680	22.9
159.03041	1.2
161.01241	2.4
161.02885	4.2
161.04741	1.0
162.03575	2.2
163.02754	1.5
164.05212	14.1
165.00700	0.9
165.04376	5.8
166.55460	3.4
169.01695	2.3
170.03500	1.8
170.04863	1.9
170.98984	7.7
171.01320	7.3
171.02893	1.9
172.20737	0.9
173.01237	1.1
173.03197	1.1
174.11258	4.9
174.99228	1.2
175.02786	1.3
176.05235	1.3
177.00757	10.0
177.02254	1.5
182.03369	8.6
182.99670	1.7
185.01169	1.4
187.02834	2.2
188.05193	3.0
188.07674	1.0
189.00301	5.7
189.02455	2.3
189.04343	3.4
189.05927	1.3
190.03952	1.5
191.02307	2.1
191.03899	7.6
191.05724	5.5
191.08507	1.4
191.55855	1.6
194.99591	1.5
200.04497	1.5
201.00737	3.2
203.05515	1.2
205.00180	1.4
205.03734	1.2
206.06235	2.9
207.05406	1.5
209.05750	1.0
211.00900	1.2
212.01128	1.8
213.00514	7.9
213.02470	2.3
213.04225	1.3
214.03868	2.0
218.06267	3.5
219.01814	7.2
221.05173	1.9
227.06775	19.4
227.56900	2.5
230.98193	1.6
231.01553	8.2
232.04977	2.0
236.07327	12.7
236.09265	1.4
236.14836	2.7
236.17332	5.4
237.02771	8.6
249.02795	4.6
255.03775	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	235.1695
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
51.78572	1.4
53.03961	1.5
55.01873	2.5
55.05519	8.5
55.17455	1.5
57.06828	1.8
57.07083	20.0
59.05005	1.9
62.60558	1.3
65.03918	1.7
67.05512	9.9
69.03432	1.7
69.07071	9.4
71.04998	2.4
75.85889	1.2
79.05507	9.9
81.07067	15.5
83.04987	3.9
83.08613	4.0
85.06527	4.0
91.05480	13.5
92.14205	1.5
93.07047	12.9
95.04984	7.4
95.08614	16.8
97.06538	5.4
105.07052	28.8
107.05068	1.8
107.08618	26.4
109.06551	7.1
109.10173	10.8
111.08102	3.4
117.07041	4.7
119.08595	85.1
121.06511	3.3
121.10139	13.4
123.04415	2.5
123.08102	2.4
123.11703	4.2
128.06197	3.5
129.06972	3.5
129.56918	1.4
131.08562	12.6
133.06480	2.1
133.10149	43.4
135.08086	17.3
135.11694	5.2
137.09602	7.5
142.07803	2.6
143.08560	9.0
145.06429	2.2
145.10156	12.0
146.07227	2.0
147.08110	7.3
147.11699	18.1
149.09621	3.0
151.11209	6.0
152.05305	2.7
156.09355	4.1
157.10159	10.3
158.10886	3.7
159.11681	10.0
161.09644	27.4
161.13190	3.5
170.10954	2.6
171.11729	7.6
173.13263	16.9
175.11185	12.0
175.14816	14.7
177.12755	6.2
179.10701	20.1
187.11218	4.7
187.14833	5.4
189.12817	2.3
189.16417	18.9
191.14322	2.5
193.15945	1.8
199.14851	12.9
202.13666	2.4
203.07100	1.5
217.15903	87.7
219.76743	1.4
235.16948	100.0
235.20692	3.4
236.11115	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	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03942	2.0
53.25723	1.1
55.05501	4.7
57.07058	1.3
61.44765	0.9
67.05489	2.9
69.03443	7.1
69.07076	1.4
71.51385	1.6
79.05497	51.6
81.07064	5.6
83.04956	1.7
83.08649	5.0
84.08158	1.3
91.05486	5.8
93.07042	7.0
95.04964	3.8
95.08589	2.5
97.06492	1.3
105.04498	2.1
105.07035	10.1
107.04960	53.1
107.08615	7.2
109.06503	1.6
111.08074	4.4
117.06994	2.5
119.08575	7.7
121.06483	4.3
121.10171	6.8
123.08109	1.5
123.11747	1.4
125.09638	2.4
129.07051	1.6
131.04956	1.2
131.08553	8.1
133.10152	6.6
133.52303	1.1
135.08063	1.9
143.08583	1.4
145.10112	5.8
147.11720	6.5
149.09634	8.1
149.13266	2.4
157.10110	3.7
158.10886	2.7
159.04370	1.1
159.08063	1.6
159.11604	1.2
160.08813	2.0
160.92619	1.0
163.07585	1.5
173.09662	1.4
173.13246	6.4
175.11183	8.5
177.05464	1.4
187.14864	1.6
191.14314	65.7
197.13196	1.6
215.14345	4.3
215.17842	1.2
233.04359	1.7
233.08105	2.1
233.11993	5.4
233.15370	100.0
233.19092	2.5
234.11485	1.3
234.15639	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1499
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
53.03964	0.4
56.05039	18.6
56.96561	2.8
57.03442	3.1
58.06607	3.4
58.99579	0.5
67.05503	0.5
68.02172	0.4
69.03429	0.9
69.07071	0.8
69.52187	2.9
70.06587	0.7
72.08147	0.5
74.06085	100.0
76.02228	1.6
79.05491	0.5
81.03436	0.4
83.55096	0.4
84.04509	3.4
84.08178	0.6
85.02930	0.8
86.09710	25.1
87.04537	0.4
88.07645	0.6
91.05506	0.5
97.02901	0.4
98.97598	1.6
101.07144	1.9
116.98636	1.4
119.01873	0.4
126.12828	0.5
128.98650	0.5
130.05072	0.4
130.08687	0.4
132.10216	19.0
132.95786	0.4
134.41125	0.4
142.12300	0.9
143.11792	0.5
144.95898	0.4
147.04449	0.5
158.99750	0.9
159.04459	0.5
161.04665	0.8
162.05508	1.3
169.13422	1.7
177.05484	0.5
182.16928	0.4
187.14420	9.7
187.15956	0.5
189.09511	0.6
208.99736	0.6
215.03493	0.5
215.13928	3.9
233.04463	0.9
233.08034	0.7
233.14999	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	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
53.03934	2.7
55.01860	1.1
55.03017	0.8
55.05517	4.5
57.07061	2.8
64.31405	0.8
67.05489	3.3
69.03445	6.8
69.07050	2.7
71.04975	1.5
71.51791	1.2
79.05500	45.5
79.05967	2.2
81.07072	4.7
81.47273	0.8
83.04974	2.6
83.08625	4.5
85.02872	0.8
85.06537	2.4
90.49220	0.8
91.05491	7.6
93.07059	8.0
95.04957	5.1
95.08595	4.1
97.06506	1.2
103.05426	1.0
105.04517	1.0
105.07037	13.6
107.04961	49.0
107.08588	11.5
109.06495	2.5
109.10187	1.5
111.08110	4.4
113.06001	1.7
115.00926	0.8
116.06216	1.0
117.07049	4.2
119.07804	1.3
119.08588	13.5
121.06493	2.7
121.10155	7.3
123.08068	1.8
125.09633	2.4
128.06348	0.9
129.06973	2.4
131.08574	11.6
133.06522	1.6
133.10175	8.3
135.08089	3.9
137.09636	5.2
142.07681	1.4
143.08536	2.7
145.06473	1.1
145.10121	12.2
146.10876	1.1
147.08063	13.5
147.11688	13.4
149.09625	8.1
149.13271	3.1
156.09300	1.6
157.10135	6.2
158.10887	1.7
159.08058	2.3
159.11684	3.3
160.08842	1.7
163.11186	5.0
167.08620	1.1
169.10114	1.4
171.11671	1.8
172.12445	1.0
173.09624	1.6
173.13257	8.9
175.11206	19.6
182.10992	1.3
187.11122	1.1
187.14795	4.6
189.12723	5.7
191.14313	61.1
197.13246	1.7
215.14305	6.8
215.17909	1.1
217.15936	1.1
233.11572	2.6
233.15372	100.0
233.19101	3.6
234.15657	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	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56163	20.6
69.87232	100.0
69.87633	34.3
79.12935	17.2
160.08640	23.3
172.72891	18.3
184.91061	18.1
207.66519	17.3
233.06358	72.9
239.70403	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	233.1174
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03951	0.6
55.01870	1.0
61.54156	0.5
65.03946	0.6
66.86668	0.4
67.05492	1.5
68.99771	0.6
69.03442	4.2
69.45786	1.1
69.46194	2.2
79.05508	3.4
81.07069	1.5
83.04986	0.7
91.05479	5.9
93.07050	2.1
95.04949	1.8
95.08617	2.0
97.06535	2.3
103.05468	1.4
105.03391	0.8
105.07028	5.3
107.04977	0.9
107.08595	2.0
109.02892	0.5
109.06561	1.2
112.51295	0.5
115.05466	1.7
117.07047	2.9
119.08592	8.0
121.06485	2.7
123.08092	2.1
128.06215	1.2
129.06992	3.2
130.07816	1.3
131.04941	4.0
131.08586	5.1
133.10147	1.3
135.08067	100.0
136.08398	2.1
137.05986	1.7
139.07486	0.9
141.07008	2.3
142.07774	0.8
143.08589	1.8
144.09370	3.4
145.06525	3.3
145.10130	5.5
147.08040	1.5
147.11656	1.0
149.09592	1.3
151.07542	3.1
153.06979	0.8
154.07784	1.8
155.08556	2.4
156.09352	8.9
157.06598	2.5
157.10078	0.8
158.07285	4.3
159.04449	5.9
159.08087	5.5
159.11716	16.8
159.13043	0.8
160.08934	0.6
161.09695	1.4
163.03934	1.7
169.10152	3.9
170.10912	0.9
171.11694	2.6
172.08849	16.8
173.06065	1.0
173.09636	23.6
174.10326	0.8
175.07516	1.7
175.11217	0.7
177.05489	2.4
182.07310	1.0
187.03844	2.6
187.11194	36.2
188.11555	0.6
189.12738	2.4
191.10713	1.6
197.09671	1.6
200.08376	0.6
205.04964	4.9
205.12228	1.0
215.03419	1.5
215.10693	20.4
215.14001	0.8
233.04477	4.2
233.08162	1.3
233.11731	12.8
233.15483	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76753	19.9
56.96556	70.6
61.02922	59.9
69.03445	41.9
71.38528	38.2
73.02908	31.2
82.99821	26.9
84.08154	46.3
84.96046	26.8
85.02911	76.0
86.09709	82.9
97.02888	60.8
98.97580	66.1
101.00902	98.4
110.97604	47.4
115.02426	54.9
119.01897	53.3
128.98558	29.3
131.01904	34.3
133.03484	100.0
140.98656	22.3
143.01927	72.2
145.03485	24.1
145.05006	25.4
146.03127	24.4
151.04523	30.5
152.05019	43.8
153.05757	58.8
157.03447	26.1
159.05063	37.7
161.02994	64.2
161.05534	52.7
162.06407	27.6
173.03003	53.8
185.02945	21.9
191.04097	41.0
198.74101	17.9
201.00835	21.4
233.01405	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	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	34.5
61.02951	25.3
71.02193	47.5
74.06087	18.7
84.08138	19.5
86.09688	27.0
101.00921	35.5
119.01859	29.1
128.07178	18.0
130.26859	19.5
133.03413	19.7
143.01945	34.9
161.02983	50.3
233.06398	100.0
252.58191	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	231.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65175	1.0
53.03946	1.1
55.05519	8.1
55.05744	1.5
55.82898	1.0
57.01238	1.1
57.07077	2.2
67.05231	1.1
67.05512	12.0
69.07071	17.1
70.06622	1.3
71.11340	2.3
79.05495	7.2
81.06594	1.5
81.07066	29.2
83.08627	5.4
91.05500	8.0
93.07053	24.9
95.08613	33.2
97.10153	6.2
105.06379	1.9
105.07037	17.7
107.08608	26.5
109.10165	23.9
110.07151	1.5
111.11732	5.3
117.07037	1.1
119.08595	17.8
121.10155	33.5
123.11718	19.0
133.10167	9.7
135.11713	21.7
137.13235	8.2
143.08638	1.1
147.11700	10.0
149.13283	8.7
161.13275	23.1
163.14835	2.8
173.08200	1.2
174.12805	1.9
175.14844	22.3
187.14734	1.1
189.11307	1.0
189.16388	3.2
231.08112	1.5
231.13799	5.2
231.17383	2.7
231.21109	100.0
232.11774	1.4
232.21414	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	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03948	0.7
53.10355	0.2
55.01851	0.4
55.05515	11.8
56.05029	0.5
56.80257	0.2
57.05814	1.2
69.03429	3.2
70.06607	0.4
71.05002	0.2
71.50446	0.4
72.08160	100.0
73.08501	0.5
75.04496	0.4
81.03429	1.2
81.07070	0.3
84.04506	0.4
84.08154	0.7
85.02917	1.2
86.09710	5.5
87.00823	0.6
91.05478	2.1
97.02908	0.8
98.97601	0.4
99.04448	0.6
109.02870	0.4
115.05458	0.4
119.08514	0.3
119.13538	0.2
121.06534	0.3
123.04439	0.3
127.03954	0.8
130.95811	0.3
131.04984	0.5
132.10211	3.4
147.04384	0.3
157.06520	0.3
161.06012	0.3
171.06613	0.6
175.04004	0.3
185.16592	1.0
199.06154	0.3
203.07098	0.6
213.05521	0.4
214.14287	0.3
231.03038	0.7
231.06551	1.2
231.11626	0.3
231.13782	0.4
231.17067	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	231.1382
Annotation	8,9-Dehydroverboccidentalactone
Peak:m/z	Relative Intensity
53.03953	6.0
55.01880	1.8
55.05510	4.3
57.03439	10.5
57.07061	3.3
65.03938	3.0
67.05511	14.0
69.03434	37.7
69.07072	12.7
71.04988	6.5
71.30780	2.3
74.06050	1.4
79.05514	8.4
81.03425	17.0
81.07054	11.7
82.95232	1.0
85.02913	13.5
85.06543	2.2
87.00826	5.9
88.07616	3.5
91.05489	77.1
91.45234	1.2
93.07052	17.6
95.04972	9.2
95.08619	21.7
97.02905	6.6
98.97593	1.7
98.98470	1.4
99.04467	10.8
103.05469	2.9
104.06269	1.6
105.01899	1.3
105.07041	47.2
107.08600	4.2
109.02885	9.3
109.06555	3.3
109.10151	2.1
111.04382	1.3
111.08076	1.9
113.06033	3.5
115.05476	8.4
116.06222	2.9
117.07029	74.9
118.07834	7.9
119.08592	36.0
121.06519	24.6
121.10143	4.3
123.04458	1.1
123.08092	1.9
127.03955	9.1
128.06227	6.2
129.07018	18.2
130.07756	2.2
131.08580	100.0
132.09164	2.2
133.06462	2.9
133.10149	5.4
135.04430	2.2
135.08075	15.5
135.11713	2.4
137.09566	1.2
141.06967	5.1
142.07780	12.4
143.08568	22.4
145.04904	1.1
145.06497	4.4
145.07536	1.2
145.10124	18.2
147.08034	4.3
147.11685	2.2
149.09576	2.3
151.07574	7.1
153.06998	1.3
155.06169	1.3
155.08569	7.3
156.09354	3.1
157.06473	3.1
157.10124	24.7
158.07317	1.6
159.08046	4.4
159.11697	2.5
160.08925	1.4
161.06018	2.6
161.09613	5.2
161.13277	2.5
165.07066	2.3
169.10089	2.6
170.10928	2.9
171.08052	2.4
171.11667	5.8
173.09584	2.8
173.13261	5.2
175.07622	6.5
175.11221	5.9
175.14758	1.3
180.09291	2.5
183.11700	2.8
185.05940	1.9
185.13258	18.7
186.18552	1.3
187.14851	2.5
189.09099	2.1
189.12769	1.8
195.11674	6.9
203.14371	3.0
213.09167	2.0
213.12778	11.7
213.16431	2.9
231.06575	5.8
231.10291	5.1
231.11513	1.3
231.13792	20.4
231.17358	8.7
231.21152	3.6
232.17001	2.8
232.19125	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	231.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83543	1.3
53.03957	6.3
55.01875	3.5
55.05501	4.0
56.96557	3.7
57.02038	1.5
57.03445	6.2
59.04998	1.7
64.29643	1.1
65.03943	2.5
67.05508	10.9
68.69214	1.1
68.99806	2.9
69.03432	68.3
69.07059	4.0
70.06596	1.8
71.01352	3.8
71.04989	7.3
71.51314	2.2
72.08912	1.2
73.01304	1.2
73.02914	4.5
75.04501	2.0
79.05481	5.4
81.03420	32.4
81.07056	12.3
83.04975	5.6
83.08624	5.0
85.02908	30.3
85.06548	5.0
86.09705	1.8
87.00822	13.3
87.04465	1.8
91.05481	7.8
93.07053	9.7
95.04971	55.1
95.08598	5.7
97.02298	2.1
97.02895	32.3
97.06506	2.0
98.97601	2.0
99.04454	13.6
103.05490	1.2
105.01848	3.1
105.07035	10.3
107.08630	7.2
109.02876	10.1
109.06515	3.9
109.10147	5.2
111.04420	3.3
111.08098	4.0
113.06010	54.4
115.05459	1.9
117.07010	2.2
119.04951	2.7
119.08580	5.0
121.06491	2.1
121.10166	5.6
123.04436	4.0
123.08086	1.6
123.11689	4.2
127.03918	17.6
128.04681	1.7
128.06209	5.0
129.07014	2.5
131.08549	2.8
133.06468	1.1
133.10147	6.9
135.08029	1.7
135.11665	1.6
140.39671	1.4
141.05470	100.0
142.07788	1.7
143.00157	2.0
143.08562	18.3
145.06429	1.7
145.10106	2.2
147.04471	7.5
147.08055	1.6
148.04742	7.1
151.11195	30.0
153.01895	1.8
156.04239	1.5
157.06485	2.7
157.10135	4.1
159.11639	1.3
161.09622	19.3
163.07552	1.7
171.06628	3.1
171.08023	1.7
171.11703	2.2
173.09610	1.7
175.03941	1.6
175.11150	1.5
177.12819	1.5
179.10704	14.2
185.05859	1.3
185.09666	1.2
185.13301	3.5
189.12723	2.0
195.13919	1.5
197.11697	2.7
199.06032	1.7
203.07021	1.7
203.14288	1.4
213.05533	2.5
213.09012	1.3
213.12785	2.5
231.01744	1.3
231.02858	1.3
231.04659	1.2
231.06580	10.2
231.10138	3.4
231.13939	5.9
231.17407	2.4
238.76843	1.3
249.02783	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	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03951	9.9
53.44999	0.8
55.01866	2.0
55.05505	2.3
57.03432	3.4
61.02929	1.6
67.05507	1.2
68.05042	0.8
68.99770	3.5
69.03431	100.0
69.07061	1.8
70.06586	2.7
71.01336	1.1
71.04990	8.1
71.50043	1.8
72.08155	1.8
73.02910	1.0
79.05479	1.8
81.03421	42.7
81.07042	1.9
83.04983	1.3
84.08134	2.4
85.02907	42.4
86.09679	1.1
87.00832	17.4
91.05478	3.1
93.07051	1.3
97.02283	1.7
97.02891	20.1
98.98442	1.3
99.04457	21.5
103.05470	1.7
105.01873	1.6
105.07034	2.2
106.97350	0.8
107.04956	1.1
107.08588	2.1
109.02884	17.4
109.06430	0.9
115.05470	1.4
119.04945	2.6
119.08588	1.5
121.06521	1.3
123.04433	0.9
127.03921	22.2
128.06178	1.9
129.03363	1.6
129.04443	1.0
129.06958	2.1
131.04890	3.1
131.08562	1.4
143.08566	1.4
145.04973	2.1
147.04391	2.7
147.08035	1.3
150.79848	0.9
152.10690	2.9
157.02879	2.1
157.06511	2.1
157.10115	1.5
161.06010	1.6
161.09708	1.3
171.04379	1.5
173.09615	1.2
175.03922	2.8
175.07472	2.1
185.05939	2.2
187.07509	2.2
189.09073	1.1
195.11340	1.8
203.03447	4.3
203.07083	1.6
213.03902	2.4
213.05614	1.9
213.09227	1.1
213.12410	5.0
225.12836	0.9
231.03123	5.4
231.04814	3.4
231.06754	8.4
231.10194	2.9
231.13792	3.5
231.17276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.6
55.01872	2.3
55.05512	1.5
56.84557	1.0
57.03436	4.0
61.02919	2.4
61.63080	0.7
67.05502	1.5
68.99797	4.6
69.03432	100.0
69.07053	0.9
71.01347	1.2
71.04998	8.0
71.51539	1.3
72.08141	0.8
73.02904	1.3
79.05488	1.6
81.03422	71.5
81.07071	2.3
83.01350	5.8
83.04971	1.3
85.02910	51.1
85.06497	1.4
87.00310	1.4
87.00835	23.7
91.05489	3.6
93.07052	2.4
95.04970	1.3
95.08599	1.8
97.02896	26.3
99.04462	21.3
105.01874	2.7
105.07052	2.7
107.08629	1.2
109.02885	12.2
111.00812	2.0
111.04459	0.9
117.07009	1.7
119.08556	2.8
121.10150	2.5
127.03922	30.5
128.06264	1.4
129.07040	1.5
131.04984	1.0
131.08582	1.4
133.10143	2.9
135.11674	0.9
142.07739	1.0
143.08580	2.3
145.04959	3.3
145.06427	0.9
145.10155	2.4
153.01865	1.9
157.06546	1.0
157.10139	3.3
161.09608	1.4
171.02954	1.7
171.11667	1.2
173.09686	1.0
175.07631	1.3
185.05994	1.5
185.13264	1.5
205.74777	1.0
213.03970	2.2
213.09195	1.0
213.12767	1.8
213.16431	1.2
231.02731	1.6
231.04753	10.4
231.06955	2.0
231.10120	1.6
231.13712	5.8
231.17487	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03951	9.9
53.44999	0.8
55.01866	2.0
55.05505	2.3
57.03432	3.4
61.02929	1.6
67.05507	1.2
68.05042	0.8
68.99770	3.5
69.03431	100.0
69.07061	1.8
70.06586	2.7
71.01336	1.1
71.04990	8.1
71.50043	1.8
72.08155	1.8
73.02910	1.0
79.05479	1.8
81.03421	42.7
81.07042	1.9
83.04983	1.3
84.08134	2.4
85.02907	42.4
86.09679	1.1
87.00832	17.4
91.05478	3.1
93.07051	1.3
97.02283	1.7
97.02891	20.1
98.98442	1.3
99.04457	21.5
103.05470	1.7
105.01873	1.6
105.07034	2.2
106.97350	0.8
107.04956	1.1
107.08588	2.1
109.02884	17.4
109.06430	0.9
115.05470	1.4
119.04945	2.6
119.08588	1.5
121.06521	1.3
123.04433	0.9
127.03921	22.2
128.06178	1.9
129.03363	1.6
129.04443	1.0
129.06958	2.1
131.04890	3.1
131.08562	1.4
143.08566	1.4
145.04973	2.1
147.04391	2.7
147.08035	1.3
150.79848	0.9
152.10690	2.9
157.02879	2.1
157.06511	2.1
157.10115	1.5
161.06010	1.6
161.09708	1.3
171.04379	1.5
173.09615	1.2
175.03922	2.8
175.07472	2.1
185.05939	2.2
187.07509	2.2
189.09073	1.1
195.11340	1.8
203.03447	4.3
203.07083	1.6
213.03902	2.4
213.05614	1.9
213.09227	1.1
213.12410	5.0
225.12836	0.9
231.03123	5.4
231.04814	3.4
231.06754	8.4
231.10194	2.9
231.13792	3.5
231.17276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	54.7
58.89625	19.9
59.36061	26.1
70.06599	43.9
71.11279	44.3
73.14112	18.8
81.70063	24.0
87.22194	21.4
93.01624	48.3
98.97569	31.0
101.00899	59.5
103.00672	52.9
114.36194	21.8
116.07066	43.0
117.46348	24.2
119.01946	46.1
121.01664	67.5
137.02922	24.6
153.03709	34.9
161.02966	34.7
185.02934	39.3
189.02470	50.3
213.03903	33.3
213.05852	100.0
229.92906	28.2
230.15836	73.7
231.06885	94.7
248.94131	24.6
248.99298	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	231.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.9
56.07021	1.0
56.96568	10.3
57.03426	0.9
58.99872	1.4
59.13062	0.8
68.98289	2.3
69.03440	2.3
69.60538	6.0
70.06585	2.1
70.99870	2.1
71.95263	1.0
72.08130	1.6
73.01422	1.1
73.02899	1.0
73.06557	1.5
74.71774	0.9
77.00901	1.2
81.03407	1.0
82.99842	7.7
84.08146	2.4
84.96024	3.9
85.01411	13.0
85.02893	2.7
85.85619	0.8
86.99338	1.7
91.02479	1.2
94.95937	0.8
97.02910	1.9
98.97594	15.6
101.00890	57.2
102.00961	1.4
103.02452	20.3
110.97566	3.7
110.99288	1.1
112.99142	3.3
113.00860	2.1
114.87850	0.8
115.02428	2.9
116.07034	1.0
116.98635	7.1
117.04003	12.7
119.01929	66.5
120.02032	1.2
121.01690	2.5
121.03483	4.3
127.02415	7.4
128.98605	3.0
129.00351	8.4
131.00220	2.2
131.01909	6.4
133.01698	0.8
133.03488	8.2
134.99712	1.1
135.05022	7.9
137.02977	8.0
139.02452	1.4
141.02245	1.2
142.03452	1.1
143.00183	2.3
143.01903	8.4
145.01703	2.1
145.03471	54.9
146.03500	1.0
146.99614	2.1
147.01401	26.6
149.01236	1.1
149.03008	2.2
153.01862	1.7
155.01907	2.8
157.03490	4.0
158.99707	2.8
159.01428	1.5
161.01462	1.8
161.02969	26.0
163.04558	15.5
165.02477	3.7
167.02048	1.4
170.99788	1.1
171.01395	30.9
173.02982	5.8
177.00731	2.6
177.02310	1.0
179.04012	2.7
185.02945	8.2
185.06914	1.0
186.12189	1.1
187.04527	3.7
189.02460	100.0
190.02544	1.6
191.04169	1.5
201.02417	1.8
203.03891	1.9
205.03897	1.2
207.01816	1.8
207.03534	19.9
208.04559	3.8
212.04175	1.1
219.03471	3.3
231.03516	33.6
231.07106	2.1
231.14561	1.2
231.18051	1.4
232.03665	1.3
246.88341	1.0
248.99321	2.3
249.04674	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	230.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34839	0.3
56.96569	26.3
57.01759	0.4
57.03437	0.8
61.02934	1.0
66.06310	0.3
69.03422	0.4
70.06591	0.8
70.98132	0.7
71.04996	0.3
71.24239	0.3
71.38765	0.7
71.95274	3.5
72.96038	1.2
73.02915	0.9
81.03449	0.4
83.97631	1.5
83.99928	0.5
84.04492	0.6
84.08125	0.5
84.96042	1.4
85.02900	0.9
86.09715	2.5
87.80972	0.3
97.02908	0.7
98.97589	100.0
99.97912	0.6
101.00861	2.0
102.00919	2.1
102.02117	0.4
103.00665	0.7
110.97565	1.1
112.99118	0.8
114.01040	0.4
114.06744	0.5
115.00710	0.6
116.00188	2.0
116.98627	40.5
117.98986	0.4
119.01913	3.1
120.02001	3.3
121.01665	0.5
124.99152	0.4
126.02288	0.4
127.00649	0.4
127.03909	0.5
128.98578	0.7
129.02182	0.6
131.00160	0.5
133.01735	0.5
134.01250	0.7
134.99672	8.2
138.03093	0.6
140.00172	0.9
140.03859	1.7
142.01817	0.4
142.05424	1.6
143.00183	0.4
143.01978	0.4
146.00012	0.5
146.99632	0.6
147.01439	0.5
147.32610	0.3
148.03871	1.1
148.54051	1.4
153.00677	0.5
157.54631	0.6
158.04930	1.9
158.99686	0.7
160.06499	2.2
161.02975	0.6
169.99950	0.8
170.04906	0.8
170.99693	0.6
171.03253	2.1
174.99216	0.4
176.06102	0.5
177.00844	0.4
184.04652	0.8
187.00890	0.5
188.01022	1.3
188.05960	1.4
189.00732	0.9
189.04338	4.4
202.07567	0.7
206.07024	4.5
207.05383	1.7
212.05836	0.6
216.00584	0.9
220.56154	0.5
224.08080	4.9
230.04871	0.4
230.07048	7.5
230.15819	1.7
230.18518	0.4
231.05469	0.8
248.08098	9.1
248.99229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.155
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
54.41679	0.4
55.01858	0.7
55.61153	0.3
56.96571	9.7
57.03443	3.0
58.06359	0.4
58.06604	6.8
59.05005	0.3
59.07366	1.3
60.08170	7.2
60.95824	0.4
61.02933	2.6
64.07970	0.4
65.48144	0.3
68.05016	1.4
69.03436	1.9
69.61204	2.5
70.06598	38.1
70.98120	2.7
70.99847	0.5
71.03473	0.4
71.05000	0.6
71.06931	0.4
72.08154	1.2
73.02924	4.6
74.97593	0.4
77.47040	0.4
81.03414	1.2
81.04536	0.4
82.92260	0.4
82.99870	2.1
83.00780	0.6
84.04486	1.1
84.08155	0.6
84.96029	1.1
85.02916	3.4
86.09692	0.6
89.00794	0.7
93.50755	0.5
95.06075	0.6
96.08141	1.6
97.02905	2.6
98.06030	0.8
98.97593	15.7
99.04457	0.5
100.82493	0.4
101.00213	0.8
101.00887	15.9
102.00938	0.5
103.00607	1.1
103.02274	0.4
104.01261	0.7
104.80704	0.4
106.01054	0.7
109.02896	0.5
110.01302	2.1
110.97575	3.3
111.00159	0.4
111.02087	0.5
111.04465	0.4
113.00860	1.2
114.05563	4.4
114.06634	0.7
114.09165	1.6
115.00592	0.4
115.02440	1.1
116.07069	1.2
116.98631	5.5
117.00222	0.4
117.01839	0.5
118.01020	1.1
119.01921	22.6
120.02054	0.4
121.01653	1.1
121.85217	0.3
124.00983	0.5
124.07598	3.6
124.09570	0.4
124.95518	0.4
126.09160	0.7
126.98778	1.2
127.01534	0.5
127.03887	1.2
128.02348	3.3
128.98593	3.0
129.00313	0.4
130.00995	0.8
131.00218	0.5
131.01912	3.1
132.00745	0.8
133.01573	1.2
133.03484	2.4
134.99655	0.9
137.02917	2.6
138.00729	0.7
139.01563	0.7
140.98625	0.9
141.01294	0.4
142.08646	33.4
143.00156	0.9
143.01913	1.1
143.03464	0.4
144.00783	0.5
144.99867	1.2
145.01584	0.7
145.03464	0.8
146.02240	0.4
146.99654	1.4
147.01311	0.7
147.03082	0.4
148.02058	1.3
148.03870	1.8
151.04468	0.6
153.01740	1.5
154.02074	0.8
155.01866	0.9
157.02510	2.1
157.03624	0.6
158.04875	0.4
158.99643	1.2
159.01260	0.6
159.03177	0.8
160.02049	2.3
161.01309	0.4
161.02991	1.2
162.01765	0.9
162.99188	0.4
165.00751	0.5
165.04510	0.4
166.04526	0.5
168.01817	1.8
168.52016	0.5
168.99860	3.1
169.02499	2.0
170.08141	1.3
170.99680	1.4
172.02057	0.4
172.97681	0.6
172.99377	0.7
173.01178	0.7
173.02968	0.8
174.01784	0.8
175.02661	1.1
176.03374	0.5
177.00807	0.8
177.02328	1.0
178.03038	0.7
182.01555	0.5
183.02342	3.0
183.04974	0.6
183.14949	0.6
184.03090	1.6
186.96877	0.9
186.99312	0.9
187.00909	5.3
187.02777	1.3
187.04604	1.1
189.00703	1.5
189.02362	0.9
189.04364	0.8
190.03142	1.4
190.98537	0.5
191.02161	0.8
193.00076	0.5
196.99399	1.1
197.01176	0.9
198.02769	0.4
199.03708	0.6
201.00751	0.9
202.12854	0.4
202.98578	0.5
204.02782	0.9
205.00137	1.0
205.01996	1.1
205.03790	1.0
206.06981	1.0
207.01807	0.5
211.03584	0.6
213.03375	0.8
215.00403	4.3
215.02284	0.6
217.00368	0.4
219.01843	0.9
220.04144	1.4
221.05072	0.5
224.08086	1.2
229.15491	100.0
230.07063	0.7
230.15860	1.6
237.02861	1.0
247.02930	1.0
248.08099	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.29440	0.7
55.05517	9.0
57.03439	16.5
57.07076	2.2
59.05012	5.6
59.26878	0.7
62.37748	0.6
65.03956	1.4
67.05508	100.0
68.05846	1.4
69.03408	0.8
69.07078	2.8
69.43114	5.9
71.04999	5.0
71.59148	0.8
79.05486	2.5
81.07061	15.0
83.08620	7.9
85.06550	2.9
89.63225	0.7
91.05486	6.1
93.07060	4.2
95.08610	6.8
98.20805	1.6
107.08621	2.3
109.10163	87.4
110.10478	1.0
111.08099	2.7
119.08560	6.3
120.05624	0.9
131.08580	1.1
133.10135	1.2
137.09642	4.0
147.06682	1.2
155.10669	5.3
159.11700	1.0
166.16881	0.8
173.11763	22.2
173.13164	1.6
186.22281	1.0
191.82867	1.0
229.12160	3.0
229.14281	23.4
229.19514	1.6
229.23607	6.8
229.27148	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	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.58664	0.5
55.05514	8.4
57.03156	0.9
57.03442	18.9
57.07076	1.9
57.19062	0.5
58.10493	0.5
59.05006	5.6
65.03941	2.1
67.05508	100.0
68.05857	0.8
69.03441	0.8
69.07062	2.2
70.06588	0.6
71.04991	3.0
71.51315	0.5
79.05500	1.6
81.07058	14.0
83.08629	7.3
85.06566	2.8
87.04533	0.5
91.05493	6.7
93.07049	2.7
95.04976	0.6
95.08605	5.9
99.08065	0.6
105.07034	0.6
107.08615	1.9
109.10162	82.8
110.10474	0.9
111.08091	3.2
112.49574	0.5
119.08591	6.0
123.57732	0.5
127.11180	0.9
135.23930	0.5
137.09622	4.3
155.10669	6.1
173.11752	20.1
174.12041	0.6
216.74466	0.6
229.12109	1.2
229.14351	21.3
229.19466	0.8
229.23589	1.6
230.14633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05511	9.4
57.03441	19.2
57.07079	1.9
59.05006	4.9
65.03934	2.3
67.05508	100.0
69.07075	1.9
71.04991	3.5
79.05503	2.4
80.97176	0.6
81.07060	15.4
83.08630	6.9
85.06556	2.4
91.05482	6.9
93.07052	4.7
95.08600	5.3
98.21594	1.7
107.08617	2.4
109.10162	82.9
110.10526	1.7
111.08096	2.7
112.42683	0.6
119.08591	5.8
137.09619	4.1
140.40860	0.7
155.10655	9.0
173.11746	19.0
173.13182	1.4
229.14362	20.3
229.19417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02412	0.6
53.03944	2.1
55.01865	2.4
55.05511	1.5
55.56440	0.5
57.03434	0.9
61.09418	0.5
64.97501	0.5
65.03940	2.9
67.05509	2.3
68.99796	2.9
69.03428	2.1
69.07070	1.5
70.06597	2.3
70.78036	0.7
70.78381	1.0
71.01372	0.6
71.05004	2.6
77.03923	0.8
79.05502	4.8
81.03416	2.0
81.07063	1.5
83.04992	0.7
83.08607	1.3
85.02901	1.7
85.06558	1.1
91.05488	39.7
91.87237	0.4
93.03468	0.5
93.07053	1.3
95.04973	6.0
95.08617	1.0
97.02891	3.4
97.06554	1.0
105.07047	1.1
107.04961	100.0
108.05257	0.9
109.02911	3.3
109.06512	0.8
109.10159	0.6
110.03671	0.6
111.04445	10.5
111.08086	0.8
115.05458	0.8
117.06991	0.7
119.04949	31.7
119.08567	0.9
120.05738	7.7
121.02885	6.0
121.03783	0.7
123.04436	4.2
123.08064	1.0
128.88501	0.5
129.05495	0.8
129.06958	0.8
131.04945	1.0
131.08565	1.0
133.06454	1.1
133.10118	1.2
135.04424	88.9
136.05252	4.9
137.09660	0.8
139.03931	4.2
141.06969	3.5
144.05728	0.7
145.06485	4.3
147.04395	0.6
147.07993	0.6
147.11723	1.1
151.11189	0.9
153.07004	3.1
155.06029	0.7
155.08562	4.0
155.10655	0.8
157.06345	0.8
159.08090	1.5
161.05963	0.5
161.09642	0.9
165.05602	1.0
165.07013	16.9
165.11032	0.9
168.05701	1.4
169.06493	1.2
169.12212	1.3
173.05991	0.7
173.09579	0.8
179.07042	1.0
181.06459	0.9
182.07303	1.0
183.08014	8.9
183.09462	0.7
183.12025	0.9
187.07599	1.6
193.06334	2.4
193.10559	0.7
193.12242	0.8
197.06075	0.8
197.08035	0.8
199.07681	0.7
201.09148	1.1
210.06804	0.8
211.07573	7.4
211.11504	1.1
211.13350	1.3
229.08617	52.2
229.12480	2.2
230.08920	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.086
Annotation	Forkienin
Peak:m/z	Relative Intensity
53.03945	2.3
55.01869	7.2
55.05513	8.3
57.03440	9.6
59.05004	2.8
63.53424	1.4
65.03941	1.9
67.05508	43.6
69.03430	3.7
69.07072	6.3
69.85291	3.9
69.85699	2.0
70.06582	2.8
71.04987	1.1
75.83062	1.0
79.05499	6.6
81.03422	3.0
81.07055	15.6
83.04987	2.8
83.08623	4.3
85.02909	2.7
85.06538	1.9
85.57096	1.1
91.05486	44.3
93.07057	6.2
95.04939	3.3
95.08587	8.2
97.02905	2.8
97.06509	1.9
98.97595	2.6
105.03396	4.7
105.07049	9.5
107.04945	8.7
107.08587	6.2
109.02875	2.8
109.06531	2.1
109.10159	34.3
111.08071	1.3
115.05451	1.8
116.98618	1.3
117.07027	3.6
119.04918	1.7
119.08595	11.2
121.10155	3.6
123.04390	1.9
123.11743	1.5
128.02338	1.8
128.06255	2.3
129.07014	3.4
131.08575	7.8
133.02864	2.1
133.10146	5.2
135.04425	2.3
135.11719	2.2
137.09641	2.0
141.06999	4.2
143.08557	4.0
145.06479	3.5
145.10110	11.0
147.08170	1.8
147.11714	5.8
151.03906	17.8
153.06979	5.8
154.07780	2.8
155.04866	1.8
155.08578	7.2
155.10713	2.6
156.09369	2.0
157.10130	3.3
158.10928	1.9
159.08128	2.2
159.11719	9.4
165.06990	8.6
169.10146	3.7
171.11684	3.4
173.09624	2.6
173.11758	8.3
173.13304	8.1
175.96248	1.2
180.25520	1.2
181.06551	1.3
183.06552	2.5
183.08034	1.6
183.11665	2.4
185.13261	3.7
186.09055	1.5
187.04604	1.2
187.07668	1.7
187.14775	4.4
201.12756	1.7
201.16437	3.4
211.07561	100.0
211.14851	3.1
212.07895	1.8
214.06328	1.3
229.05069	2.8
229.08641	12.6
229.12210	7.3
229.14264	6.1
229.16287	11.1
229.19539	20.8
229.23495	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.086
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
50.16286	0.6
51.02385	0.6
51.50202	0.7
53.00295	0.6
53.03945	1.3
55.01874	4.0
55.05505	1.3
57.03430	1.3
61.02926	2.0
65.03942	1.6
67.05510	5.1
68.99783	2.0
69.03422	1.6
70.06604	1.5
71.04962	0.8
71.51174	1.7
73.02917	1.2
73.29436	0.6
75.02749	0.7
77.03934	0.8
79.05507	7.3
81.03426	2.2
81.07066	4.5
83.01343	1.4
83.05003	1.0
85.06541	1.0
90.12746	0.7
91.05486	40.5
93.07057	3.0
95.04971	7.8
95.08612	2.9
97.06506	0.9
105.04530	0.9
105.07060	3.2
107.04962	100.0
107.08617	1.0
108.05283	1.1
108.94965	0.7
109.02890	4.1
109.06549	4.2
109.07171	0.7
109.10149	2.6
111.04450	7.2
111.08121	3.4
113.02380	1.1
115.05460	1.4
117.07014	1.7
119.04955	32.0
119.08610	1.9
120.05747	8.9
120.34569	0.8
121.02883	5.1
121.06507	2.8
121.10155	1.2
123.04434	5.6
123.08049	3.9
125.09661	1.2
127.07533	0.9
128.06177	1.0
129.07002	1.6
131.04930	1.1
131.08620	1.2
133.06502	0.7
133.10127	1.2
135.04424	85.9
136.05225	6.3
137.05998	7.3
137.09602	1.2
139.07597	2.2
141.07010	2.6
144.05724	0.9
145.06482	3.3
145.10191	0.9
147.08061	1.4
151.07536	2.2
152.11311	0.7
153.06992	4.3
155.07083	1.5
155.08580	4.2
157.06546	1.5
158.07320	0.8
159.08109	2.0
161.05893	0.8
165.07018	13.8
165.09093	3.3
167.07034	1.2
168.76825	0.7
169.06461	1.1
171.04492	0.9
173.05960	0.9
181.06563	0.8
182.07225	1.1
183.08069	11.5
187.07597	1.7
193.06459	1.6
194.07338	0.8
201.09129	1.8
206.54942	0.8
211.07567	7.8
211.09694	10.6
211.11433	0.8
211.14980	0.9
229.08617	49.1
229.15976	0.9
230.09042	0.9
233.88908	0.8
237.80037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0861
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
50.31251	0.4
53.03951	2.0
55.01871	1.7
55.05507	0.5
56.96539	0.4
65.03947	1.7
67.05497	1.1
68.99796	2.6
69.03433	1.0
69.07080	1.5
69.97767	1.0
69.98174	1.3
70.06587	1.9
71.01366	0.4
71.04994	0.6
72.08140	1.2
77.03915	0.6
79.05511	4.3
81.03429	2.0
81.07056	0.7
84.08173	0.7
85.06576	0.4
86.09711	0.8
91.05486	36.5
93.07098	0.7
95.04985	4.7
95.08532	0.6
97.06528	1.1
99.54982	0.4
101.00862	0.5
105.07044	0.9
105.29280	0.4
107.04961	100.0
108.05299	0.9
109.02896	2.2
109.06526	0.6
110.03683	0.5
111.04454	6.6
115.05498	1.3
117.97510	0.4
118.34974	0.5
119.01891	0.6
119.04951	30.0
120.05746	8.1
121.02885	5.7
121.06468	0.9
121.76017	0.4
123.04434	3.5
129.06989	0.7
131.04959	0.9
131.08556	0.7
134.04443	0.7
135.04424	81.3
136.05252	5.1
137.09669	0.5
141.07001	3.0
145.06490	3.6
147.04359	0.9
152.06245	0.5
153.07039	3.5
154.07776	0.7
155.08553	4.2
157.06369	0.9
159.08093	1.2
160.05240	0.7
165.07022	14.8
166.07512	0.5
168.05736	0.6
169.06506	1.5
181.06502	1.2
181.13829	0.5
182.07222	1.1
183.08054	9.3
187.07463	1.2
193.06340	2.8
201.09071	1.1
211.07489	5.5
214.06354	0.5
219.90364	0.4
229.08606	46.3
230.08727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0861
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
53.03938	1.1
55.01872	1.9
61.42335	0.6
65.03943	1.9
68.99786	2.5
69.07054	0.6
70.06591	2.4
71.10748	1.0
79.05499	4.4
81.03428	1.7
86.09707	4.8
91.05488	42.3
95.04956	3.3
105.04571	0.9
107.04962	100.0
108.05283	0.9
109.02888	2.6
110.03617	0.7
111.04453	7.1
115.05473	1.1
116.07109	5.6
119.04948	31.6
120.05730	8.0
121.02868	6.3
123.04440	2.7
129.07042	0.9
135.04424	87.1
136.05235	4.8
139.19125	0.6
141.07014	3.0
145.06508	3.0
147.04498	0.7
153.07011	3.6
154.07706	0.7
155.08559	3.6
157.06549	1.0
159.08096	1.5
165.07016	17.0
165.88683	0.6
168.05609	1.2
169.06508	0.9
171.04532	0.6
173.06056	0.8
181.06577	0.8
181.09625	0.6
183.08044	8.6
184.49434	0.7
193.06520	2.3
194.45731	0.7
201.09132	1.6
210.06903	0.8
211.07587	6.7
214.06287	0.8
229.08612	48.1
229.15501	1.2
230.08904	0.8
242.72885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01890	1.6
55.05525	0.9
64.36738	0.6
65.03953	1.5
67.05522	1.9
68.99799	2.6
69.03430	1.4
69.07032	0.7
70.06612	1.5
71.02360	1.4
71.02705	0.9
71.04993	2.5
77.63906	0.7
79.05510	4.6
81.03433	2.2
81.07066	1.1
81.84877	0.6
85.02908	1.3
85.06584	0.7
91.05491	36.1
95.04974	5.4
97.02924	1.1
97.06546	0.8
99.00826	0.7
105.07047	1.3
107.04964	100.0
109.02885	3.4
111.04443	7.5
117.06996	1.0
119.04953	33.9
119.08583	1.1
120.05726	9.5
121.02856	5.2
121.06544	0.8
123.04443	3.0
129.07054	1.9
131.04956	0.9
131.08595	1.3
133.06514	0.8
135.04428	87.7
136.05261	3.9
141.07021	3.2
145.06537	3.9
147.04420	2.8
153.06992	3.6
154.07817	0.9
155.08571	4.0
157.06494	1.1
159.08061	2.0
165.07022	14.3
168.05655	1.3
169.06430	0.7
169.12282	0.7
169.92010	0.7
172.33583	0.7
173.05992	1.4
177.26093	0.8
181.06468	1.3
183.07974	10.4
187.07529	1.1
193.06488	2.4
201.09196	1.6
211.07549	9.0
229.08586	52.4
231.01779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94363	0.6
53.03933	0.6
55.01865	1.3
55.05500	0.8
56.84964	0.5
56.96307	0.8
56.96568	12.6
57.03444	5.0
58.05379	0.5
58.06604	6.7
59.07378	1.1
60.08165	7.1
61.02928	4.5
61.73936	0.5
66.71967	0.5
68.05026	1.7
69.03430	2.8
70.06597	41.5
70.98125	3.1
70.99838	1.6
71.04967	0.9
71.50206	0.8
71.95244	0.9
72.08146	1.3
73.02925	6.6
75.04485	0.6
80.53283	0.5
81.03412	1.2
82.99864	3.0
84.04491	1.0
84.08118	0.8
84.96016	1.3
85.02911	5.0
86.09700	0.8
88.99155	1.3
89.00797	0.5
91.03967	0.5
93.37956	0.5
96.08109	0.9
97.00499	0.6
97.02924	4.6
97.15861	0.5
98.01248	0.6
98.97594	18.3
99.04453	1.2
100.32153	0.7
101.00887	23.5
102.00956	0.8
103.00648	0.9
104.01299	0.8
106.01022	1.6
109.02886	1.4
110.01246	2.8
110.97569	3.3
113.00864	1.2
114.05539	4.1
114.06665	1.0
114.09188	1.9
115.00717	0.6
115.02404	0.9
116.07096	1.2
116.98624	6.1
118.01019	1.1
118.08597	0.6
119.01910	35.0
120.02036	0.7
121.01649	1.0
124.01011	1.5
124.07593	4.1
124.95473	0.7
124.99123	1.0
125.01749	0.6
126.09208	0.9
126.97002	0.6
126.98769	1.9
127.03918	2.0
128.02328	5.5
128.98634	3.0
130.01086	0.7
131.00166	0.8
131.01915	4.8
132.00766	1.5
133.01694	1.4
133.03461	2.6
134.02290	0.6
134.99677	1.2
135.03168	0.8
137.02950	3.3
138.00774	1.0
139.01482	1.1
140.98634	1.0
141.01273	0.9
142.08646	34.1
143.00201	0.8
143.01933	1.8
144.99870	2.7
145.01620	1.2
145.03484	1.3
146.02327	0.9
146.03438	0.6
146.99625	1.5
147.01271	2.0
148.02048	1.9
148.03841	3.0
149.02972	1.0
153.01756	1.8
154.02029	1.3
154.96494	0.8
155.02863	1.2
156.98096	0.7
157.02573	2.5
158.99669	2.2
159.01276	1.8
159.03259	0.8
160.02071	2.5
161.02933	2.1
162.01782	1.6
163.02687	0.6
168.01820	1.4
168.95689	1.0
168.98428	0.6
168.99847	5.8
169.02560	1.9
170.04913	0.7
170.08124	1.6
170.99669	1.9
172.97681	0.9
172.99326	0.9
173.01263	0.6
173.02997	1.3
174.01779	1.8
174.99153	0.8
175.02626	1.8
175.04575	0.5
176.03317	1.2
177.00842	1.0
177.02408	1.8
181.02493	0.8
182.99731	0.9
183.02332	2.2
183.14870	0.9
184.03099	4.3
185.47160	0.6
186.99139	1.6
187.00902	9.4
187.02736	1.8
187.04538	0.8
188.05904	0.6
189.00742	1.8
189.02397	1.3
189.04298	0.9
190.03043	1.5
190.98694	0.9
192.02869	0.9
193.03682	1.1
196.99292	1.6
197.01001	0.9
201.00729	1.3
203.03967	0.7
204.02902	0.9
205.00195	1.4
205.01974	2.0
205.03723	0.8
205.05704	0.6
206.06981	1.8
207.01768	0.7
215.00369	6.8
219.01752	1.4
220.04216	1.5
220.06178	0.6
224.08061	2.1
229.15491	100.0
237.02881	2.0
247.02946	0.7
248.08055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.8
55.05500	4.3
55.05732	1.1
57.03451	5.0
58.06596	2.6
65.03918	1.1
67.05510	5.8
68.05023	1.1
69.03419	1.5
69.07056	4.3
69.34023	1.0
70.06573	2.5
71.30738	2.8
73.02912	3.5
74.03231	1.8
79.05486	3.0
80.05001	1.3
81.07068	7.2
83.04967	1.1
84.04489	2.2
84.08176	1.2
85.02902	2.5
85.06558	1.8
86.09725	2.4
91.05466	4.9
93.07068	6.3
95.04989	5.1
95.08610	7.9
96.08149	1.6
97.06544	10.3
98.97555	1.2
105.07042	2.0
107.04955	2.5
107.08588	2.1
108.08114	6.0
109.06493	2.8
109.10162	6.2
110.06045	8.0
110.09686	4.5
111.04462	1.4
111.08049	1.1
117.07039	1.6
119.08603	8.0
120.08150	2.2
121.06508	2.4
121.10177	2.6
122.02388	1.7
122.09621	1.6
123.06714	1.5
123.08051	7.5
124.07622	2.5
125.05997	1.2
125.08364	4.0
126.09162	5.1
129.07002	1.8
129.22308	1.1
130.12267	1.3
135.04459	1.5
135.08032	2.0
135.10431	2.8
136.07541	1.7
136.11230	13.5
137.09619	6.5
138.09145	69.4
139.07581	1.8
139.09467	1.4
140.04651	3.0
141.05019	2.8
146.09604	1.7
147.08066	9.3
153.68353	1.2
154.12268	7.4
155.07063	1.6
156.07394	4.4
164.10719	52.8
165.09113	17.2
181.04926	2.1
182.05273	8.6
182.11783	47.3
182.15309	1.8
183.10176	5.4
192.10178	24.3
193.08575	7.8
200.12807	5.8
210.08441	1.5
210.11259	34.6
210.14610	1.6
211.09656	23.5
228.10403	3.5
228.12312	100.0
228.23169	9.1
229.05000	1.4
229.08592	2.6
229.12486	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	228.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	8.7
56.96814	0.7
62.85208	0.5
69.17963	5.0
69.86714	0.5
84.08176	0.6
85.02878	0.5
91.52521	0.4
98.21620	0.7
98.97580	3.1
109.99200	0.6
110.97620	0.5
111.48620	0.5
112.07610	1.1
116.98611	1.0
128.02354	0.4
138.02202	2.3
150.67894	0.5
153.01767	0.7
156.03328	100.0
157.03616	0.7
158.99655	0.5
168.03340	35.7
174.04398	43.7
182.02707	3.6
186.04395	97.2
187.04820	1.5
192.05383	3.2
197.06007	0.6
204.05458	41.1
209.06001	1.7
212.45996	0.5
222.06522	0.9
225.29739	0.5
227.06871	0.5
228.05455	14.4
246.06488	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	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17679	0.5
53.03948	2.2
53.72601	0.6
55.01880	1.2
55.05510	7.2
56.02658	1.4
56.38547	0.5
57.03448	0.6
59.05004	0.6
65.03947	1.3
67.05508	24.1
69.03428	0.7
69.07066	4.4
70.03169	2.3
71.04997	100.0
72.05334	0.9
79.05502	11.7
81.07061	33.1
83.04984	2.0
83.08627	3.6
83.89447	0.5
85.06547	2.6
91.05490	6.2
93.07049	15.1
95.04993	1.4
95.08611	15.7
97.06512	3.3
97.10157	4.8
99.08102	0.7
100.11268	3.5
104.03472	0.5
105.07018	3.5
107.08602	6.8
109.06559	1.4
109.10194	2.8
111.08105	2.1
113.06047	1.1
117.07024	4.0
119.08616	1.6
121.06525	1.2
121.10152	2.1
123.08086	0.5
125.09646	3.1
129.06985	0.5
131.08575	4.7
133.10147	4.9
135.08109	1.2
135.11700	8.5
141.53079	0.6
145.10214	0.5
147.11606	0.7
149.13251	5.6
157.10153	1.3
159.11702	7.4
167.07100	0.5
171.10301	0.8
175.14882	0.7
177.12778	2.4
189.11282	2.1
195.13831	1.3
209.15329	1.2
227.07072	0.8
227.12599	4.8
227.14679	1.1
227.17885	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01862	1.7
55.05514	11.1
56.02655	1.7
57.03434	1.6
57.07064	0.7
59.05010	0.7
63.27326	0.5
65.03958	1.0
67.05507	27.5
69.03429	1.4
69.07069	5.1
70.80241	1.3
71.04995	100.0
79.05493	12.3
81.03438	0.7
81.07060	33.0
83.04980	2.0
83.08622	5.7
85.06558	3.2
91.05486	6.6
93.07046	17.4
95.04975	2.2
95.08610	16.6
97.06536	3.7
97.10167	8.3
99.08087	1.4
100.11256	6.7
105.07042	3.7
107.08595	8.6
109.06545	1.6
109.10191	2.6
111.08054	2.7
113.06082	0.7
117.07024	5.1
119.08630	1.7
121.06554	1.8
121.10162	2.1
125.09621	7.5
129.07074	1.0
131.08577	5.3
133.10143	4.8
135.08099	2.3
135.11697	9.6
142.05017	0.6
143.08565	3.0
145.10138	1.3
147.11719	0.6
149.13251	3.8
153.09120	0.9
156.09302	0.6
157.10147	1.4
159.11699	7.3
167.07068	1.3
171.10307	0.7
171.11749	1.9
177.12794	2.8
185.13341	1.2
189.11176	3.5
195.13893	1.2
209.13548	0.9
209.15244	1.0
209.16907	0.6
227.06984	0.9
227.10681	1.2
227.12849	9.2
227.15352	3.0
227.17918	4.5
228.23395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03962	2.3
55.05513	13.4
57.03439	8.5
57.07075	7.2
59.05007	4.4
67.05508	10.8
69.03439	9.2
69.07076	16.4
70.54919	7.2
71.04998	41.5
73.06544	2.4
75.04462	2.4
77.46090	2.2
78.42502	2.0
79.05498	10.2
81.07060	24.8
83.05000	10.8
83.08624	9.7
85.06553	16.5
91.05493	11.5
92.48523	2.3
93.07048	28.8
95.04977	100.0
95.08620	26.8
97.06535	24.5
97.10162	7.1
99.04466	71.8
99.08094	25.1
100.11273	7.0
105.07043	22.6
107.08599	53.4
109.06529	19.4
109.10184	23.2
111.08086	10.0
111.11806	2.9
113.09650	5.8
115.07561	7.3
119.08571	10.5
121.06546	2.6
121.10152	75.9
123.08095	13.0
123.11707	15.6
125.09643	15.8
127.07569	13.5
131.02037	2.2
131.08582	7.8
133.10143	38.0
135.08037	13.2
135.11694	10.2
137.09621	12.6
139.07539	2.9
139.11182	16.0
143.10687	6.4
145.10115	5.5
147.11710	10.7
149.09618	2.5
149.13269	15.2
151.11183	30.2
153.09105	29.4
163.14867	9.2
165.12773	3.7
167.07091	9.4
169.12189	2.7
171.10170	14.4
171.11467	2.3
173.13269	24.3
183.13852	8.8
191.14296	28.6
209.15350	21.5
227.14325	2.4
227.16376	46.9
227.18436	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03930	6.0
55.01869	10.5
55.05511	30.0
57.03423	9.1
57.07088	4.0
59.04992	2.6
65.03936	4.0
67.01864	8.1
67.05192	2.5
67.05511	31.2
69.03448	12.8
69.07070	30.6
69.43616	7.8
69.44037	11.0
70.06597	5.1
71.04999	33.3
73.02901	4.5
79.05495	30.1
81.03410	4.6
81.07062	45.9
82.06564	4.1
83.04974	11.7
83.08625	15.9
84.08153	3.4
85.02905	3.9
85.06538	16.5
86.09698	8.5
87.04463	3.3
90.00038	2.4
91.05482	30.5
93.07050	49.0
95.04972	19.4
95.08617	41.5
97.06535	49.9
97.10172	6.5
98.97535	2.9
99.04450	20.5
99.08095	8.7
100.11270	42.0
101.05997	3.8
105.07046	23.4
107.04939	7.3
107.08599	73.2
109.06500	16.0
109.10172	26.8
111.04440	7.8
111.08057	12.2
111.11693	5.2
113.05992	4.4
115.07570	3.6
117.07008	6.7
119.08575	14.9
121.06521	11.9
121.10148	46.5
123.04401	7.4
123.08089	17.3
123.11684	14.3
125.05976	3.3
125.09645	13.0
127.07554	3.8
128.06186	3.6
129.06992	5.0
131.04916	3.2
131.08566	18.2
133.10138	100.0
135.08058	19.7
135.11678	17.4
137.05991	6.1
137.09599	8.7
139.07558	4.3
139.11189	12.7
140.04643	9.0
141.09090	3.2
143.08516	5.9
145.10150	16.6
147.11679	11.0
149.05978	7.4
149.09610	19.0
149.13254	23.4
151.11182	21.1
153.05466	3.5
153.09084	10.2
155.07024	11.2
155.08394	3.1
156.09290	3.3
157.10168	4.0
158.10876	5.9
159.04405	2.9
163.07521	4.5
163.11224	18.6
163.14790	16.6
165.12750	6.7
167.03526	3.0
167.07047	37.4
167.10703	11.5
167.14395	2.8
169.06458	3.8
169.09952	3.2
169.12247	2.7
171.11545	2.6
173.13272	39.6
177.05455	7.2
181.04956	11.7
181.06418	3.5
181.08659	2.9
181.10106	5.6
181.12248	7.7
182.15356	3.8
183.08072	3.2
183.10208	2.8
184.08789	3.4
184.16980	3.1
185.09515	2.9
191.10686	6.9
191.14307	27.7
195.02875	16.6
199.07524	6.1
199.11227	7.3
209.08063	8.9
209.11731	7.9
209.13628	4.7
209.15222	23.6
213.17792	7.1
213.67789	2.4
227.07156	6.0
227.10582	13.5
227.12764	8.5
227.16229	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	227.1643
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03960	5.2
54.58529	3.4
55.05521	22.2
57.03436	16.2
57.07063	7.7
59.04998	8.1
67.05512	25.2
68.47482	3.4
69.03424	24.1
69.07072	23.0
69.80329	18.9
71.04999	21.5
73.02914	2.9
79.05493	21.2
81.07059	34.8
83.04988	20.5
83.08607	13.0
84.83628	3.1
85.06533	11.2
91.05476	23.0
92.44097	3.4
93.07056	28.7
95.04956	11.3
95.08609	31.4
97.06536	33.0
97.10187	4.3
98.35133	3.0
99.04460	4.0
99.08103	6.0
100.11241	12.2
105.07040	25.9
107.08601	99.0
108.08827	3.3
109.06528	22.5
109.09467	6.1
109.10160	70.0
111.08090	14.4
115.07590	3.8
119.08582	13.2
120.08103	7.5
121.06515	13.5
121.08451	6.7
121.10152	100.0
123.04433	3.9
123.08071	15.0
123.11692	19.3
125.09624	19.9
131.08546	18.6
133.10150	45.5
135.08060	20.8
135.11731	16.5
137.09604	34.1
139.11211	12.5
141.09050	3.9
143.10655	6.0
145.10132	6.8
147.11699	12.5
149.05951	5.9
149.09647	15.9
149.13254	41.4
150.06764	4.0
151.11195	79.5
153.09091	9.2
155.07074	6.1
158.10925	7.4
163.07576	4.5
163.11182	8.2
163.14835	21.8
165.12775	8.3
167.07031	18.9
167.10811	3.6
169.12250	8.1
173.13289	32.5
177.05489	6.7
181.05014	4.9
181.10518	4.7
190.68851	3.4
191.10696	4.8
191.14316	57.1
199.07504	9.3
209.08176	16.7
209.11760	3.2
209.15384	19.9
227.06998	5.9
227.10745	6.6
227.16356	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.01866	6.6
55.05516	21.6
57.03443	17.3
57.07058	6.8
57.95612	2.3
59.04990	8.5
62.74791	2.3
67.05509	23.3
69.03431	28.8
69.07068	28.1
69.70124	5.5
69.70542	8.4
71.04987	24.1
75.04482	3.6
79.05487	27.2
81.03386	2.5
81.07063	44.9
83.04987	24.1
83.08627	11.1
85.06547	12.0
86.09687	2.7
91.05500	16.8
93.07050	39.0
95.04946	11.6
95.08611	29.1
97.06518	10.8
97.10149	5.3
98.20861	4.6
99.04470	15.5
99.08080	6.8
100.11248	8.4
103.05467	2.9
105.07034	21.2
107.04952	4.9
107.08601	86.8
109.06525	20.1
109.10164	68.7
111.08086	13.3
119.08539	11.7
121.06503	8.8
121.10152	78.4
121.11033	3.3
122.07291	5.0
123.04381	4.3
123.08083	13.9
123.11726	13.2
125.05997	4.0
125.09636	27.7
130.07855	2.8
131.08565	13.2
133.10139	25.1
135.08044	19.7
135.11708	14.6
137.08684	3.1
137.09631	38.6
137.13235	3.7
139.07562	3.6
139.11169	11.1
143.08530	3.7
143.10658	4.8
145.10135	6.8
147.11707	13.4
149.09633	15.7
149.12199	3.5
149.13263	37.6
151.09969	5.4
151.11186	100.0
153.09070	12.6
153.12726	5.5
158.10915	6.7
163.11130	4.5
163.14822	26.6
165.12767	5.4
167.07076	6.8
167.10730	3.4
167.14290	2.8
169.12231	30.2
173.13292	38.8
177.05351	3.0
185.13339	2.8
191.14313	77.6
194.32411	2.5
202.55742	2.4
206.09445	2.7
209.07997	3.2
209.15311	14.4
227.07047	3.1
227.09120	3.7
227.16400	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03943	3.0
55.01876	2.9
55.05515	22.4
56.71945	1.3
57.03434	5.4
57.07065	5.7
59.04989	3.8
59.09039	1.3
67.05507	26.7
69.03436	25.3
69.07067	31.1
69.39632	10.6
71.04998	54.8
75.57201	1.2
79.05496	35.6
79.09706	1.4
79.62514	1.5
81.03423	7.6
81.06604	2.6
81.07062	40.6
83.04980	12.4
83.08617	15.9
85.06552	13.5
86.47948	1.4
91.05480	16.3
93.07050	36.1
95.04984	13.9
95.08614	41.1
97.06529	15.7
97.10173	12.3
98.21477	3.1
99.04461	100.0
99.08092	6.0
100.04759	1.5
104.19176	1.5
105.04477	1.5
105.07030	19.4
107.04959	4.0
107.08598	78.4
109.06528	13.6
109.10159	28.6
111.04478	1.7
111.08080	12.2
113.09644	5.5
115.07552	6.3
117.07019	3.7
119.06099	1.6
119.08600	11.1
121.06539	8.1
121.09329	2.2
121.10149	32.6
123.08085	13.6
123.11714	14.2
125.05996	2.5
125.09634	23.7
129.09108	2.4
131.08575	12.7
133.10114	23.1
135.08055	19.4
135.11679	6.6
137.09608	8.3
139.07533	4.6
139.11145	4.1
143.08647	2.0
143.10672	6.4
145.10118	5.7
147.11693	12.4
149.09636	10.6
149.13278	17.4
151.11198	18.8
153.09087	6.9
158.10910	4.3
161.13248	2.8
163.11172	1.5
163.14810	15.6
165.12778	8.2
167.10677	2.4
173.13289	25.6
183.13805	14.1
191.14310	25.9
206.47980	1.6
209.15355	20.1
227.16403	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	227.1278
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03923	5.5
55.01874	14.6
55.05514	42.3
57.07044	6.7
59.04985	3.6
59.69198	3.0
65.03892	5.3
67.05505	36.8
69.03410	8.4
69.07072	20.4
71.04952	4.6
71.12498	4.2
71.12817	3.1
73.02886	4.7
77.91480	3.1
78.04710	3.0
79.05492	51.5
80.51281	2.8
81.03411	3.8
81.07061	39.4
83.04935	11.9
83.08611	24.8
85.06494	5.9
85.49911	3.0
91.05484	26.7
93.07043	57.1
94.07047	3.3
95.04905	11.9
95.08603	58.2
97.02882	6.4
97.06493	8.0
97.10163	29.5
98.97556	7.0
99.04462	3.9
100.11276	26.2
100.15890	3.6
103.05447	5.6
105.06985	14.0
107.04910	13.6
107.08585	43.1
109.06451	9.8
109.10103	11.7
111.04408	4.9
111.08057	4.4
117.06950	13.1
119.08584	14.8
120.05639	2.9
121.06437	12.2
121.10169	17.3
123.04390	4.1
123.34634	3.3
125.05985	3.1
125.09635	25.1
127.07510	3.7
128.06126	8.4
129.06956	6.6
131.04823	4.2
131.51483	3.0
133.10107	6.9
135.07977	5.1
135.11687	59.9
137.05994	5.5
143.08495	9.3
145.10123	33.4
149.05911	9.7
149.13219	7.2
151.03783	3.8
152.06178	3.2
153.06906	9.6
155.06989	4.3
157.10033	12.1
159.04381	3.9
159.11722	3.4
163.11192	69.0
167.07057	63.6
171.08064	5.6
171.11630	11.1
177.05396	14.1
181.06479	5.0
181.12222	16.2
182.48854	3.0
185.09540	4.9
185.13115	10.5
189.11095	6.4
191.14203	3.8
199.07446	3.6
209.06013	3.2
209.07899	4.6
209.11539	4.0
227.07112	24.4
227.10539	15.8
227.12648	100.0
227.17821	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	227.1279
Annotation	12-hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03944	3.7
55.01876	29.9
55.05514	22.0
57.03434	7.8
57.07085	12.6
59.04995	4.7
65.03920	3.1
67.05511	39.6
69.03436	19.7
69.07069	37.6
71.04999	22.5
71.24635	2.6
71.24969	2.6
73.02917	2.0
79.05493	32.5
81.03422	4.9
81.07065	39.8
83.04998	15.1
83.08633	12.4
85.06545	47.8
87.04454	2.3
91.05486	20.2
93.07051	51.9
95.04981	19.5
95.08611	43.3
97.02911	2.5
97.06536	28.7
97.10161	6.8
98.97603	3.0
99.04466	19.9
99.08104	2.5
100.11266	10.5
101.06047	1.9
105.07039	34.8
107.04945	7.1
107.08604	100.0
109.06520	20.2
109.10166	28.6
111.04404	2.9
111.08071	11.8
113.06004	11.6
113.09622	2.3
115.03915	5.5
115.07601	3.1
117.07013	5.6
119.06110	2.2
119.08567	15.2
120.08998	1.9
121.06515	20.8
121.10150	49.1
123.04482	2.4
123.08079	23.5
123.11705	8.7
125.06040	3.4
125.09644	11.7
129.06972	2.5
130.07805	2.3
131.08592	7.5
133.06529	2.9
133.10141	14.7
135.08070	20.0
135.11700	17.7
137.09627	8.8
139.07520	4.5
139.11183	5.8
143.08578	3.0
145.10132	26.8
147.11731	10.7
149.09634	22.4
149.13283	14.1
151.07578	13.8
151.11186	25.7
153.09099	9.3
163.11185	54.4
163.14828	12.3
165.12732	4.1
167.07054	7.4
167.10739	10.2
169.08620	68.2
169.12300	8.1
173.09644	5.4
173.13281	19.9
181.12263	18.2
185.13258	3.0
189.56528	2.0
191.10677	30.0
191.14287	23.9
199.07541	7.0
209.11726	20.0
209.15294	11.2
227.07141	2.3
227.10674	3.8
227.12645	10.6
227.16447	11.4
227.18268	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	227.0915
Annotation	Cladobotrin VI
Peak:m/z	Relative Intensity
50.70082	1.4
53.03948	2.5
55.01877	8.8
55.05521	14.2
56.42947	1.4
56.96552	2.7
57.03438	2.0
59.04999	3.2
64.87651	1.4
65.03934	8.7
67.05492	5.4
68.99784	4.2
69.03432	4.1
69.07068	5.3
69.16203	3.1
69.16600	15.8
71.04997	7.6
73.02923	37.8
79.05502	7.2
80.76987	1.5
81.03414	3.2
81.07074	7.4
82.04211	1.5
82.06591	1.3
83.04980	5.7
83.08627	3.2
85.02915	4.7
85.06545	1.6
85.26490	1.3
91.05479	13.3
93.07059	6.7
94.71041	1.4
95.04968	14.2
95.08611	9.1
97.02956	1.9
97.06538	6.2
98.97592	19.5
99.04477	3.3
99.08091	2.3
100.11276	11.9
101.05991	2.6
102.96066	1.2
103.05469	2.3
105.07031	3.4
106.17789	1.6
107.04983	8.6
107.08601	5.5
109.02892	2.2
109.06522	5.0
109.10119	3.4
110.03679	3.3
111.04440	20.6
113.06028	2.0
115.07617	2.1
116.98637	6.1
117.07043	4.9
119.04951	40.4
119.08580	6.1
121.06529	8.5
121.10172	6.3
123.04443	16.3
123.08095	4.3
123.11736	2.0
125.02374	3.5
125.05985	3.1
125.09657	1.7
127.03939	4.7
131.04935	2.2
133.10130	11.6
135.04453	2.0
135.08061	10.6
135.11795	2.3
137.05974	4.5
137.09605	1.5
138.03209	2.4
139.03906	51.4
139.11159	4.0
140.04695	48.7
142.02678	2.6
143.08595	1.6
145.06493	3.2
147.04419	94.8
148.05011	1.5
149.05994	13.0
149.09608	1.9
152.06285	2.0
153.01854	4.1
153.05498	10.2
153.06714	1.8
153.09099	2.9
155.07047	51.8
158.99672	5.5
163.03903	7.9
163.07555	36.7
165.05487	83.1
167.03427	1.6
167.07095	10.8
171.06572	3.3
171.08078	1.6
173.06050	2.6
173.13298	3.1
175.14879	2.4
177.00717	5.6
179.06931	1.8
181.04973	87.1
181.06351	3.2
181.08482	8.9
182.05307	2.0
191.07060	19.5
191.14349	1.8
193.15901	1.7
199.07558	20.4
209.04797	3.3
209.08095	100.0
209.15247	2.9
215.09290	1.7
227.07050	6.3
227.09190	13.3
227.17838	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	227.0916
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03934	2.3
55.01878	3.9
55.05518	4.1
56.96550	2.5
57.03429	1.5
57.92237	0.6
65.03935	1.6
67.05496	2.5
68.99788	1.4
69.03424	1.7
69.07054	2.2
70.06582	0.9
70.56853	0.7
71.04988	2.1
71.50681	1.1
71.51077	0.9
73.02915	5.7
77.03925	0.8
78.04707	3.2
79.05504	5.2
81.03418	1.9
81.07058	3.6
83.04966	1.8
83.08610	2.3
84.08144	1.0
85.02908	1.1
86.09697	1.3
89.03912	1.2
91.05490	11.6
92.13186	0.6
93.03397	0.9
93.07042	5.2
95.04986	6.0
95.08592	2.0
97.02876	1.3
97.06524	2.7
98.97585	2.1
99.04449	1.5
99.08090	2.0
100.11258	8.6
103.05473	7.8
104.74206	0.7
105.03378	1.2
105.04523	1.4
105.07030	1.8
106.04169	2.8
107.04967	4.9
107.08600	2.5
109.06519	2.9
109.10204	1.1
110.97581	1.6
111.04446	3.1
117.03425	1.4
117.07042	0.9
119.04957	8.8
119.08598	1.1
120.05696	0.9
121.06514	14.8
121.10111	0.9
122.03691	1.2
123.04437	9.5
123.08074	0.8
124.05161	2.3
125.02335	1.2
125.05949	1.1
127.03912	1.3
128.06197	2.7
128.98601	1.5
129.07071	1.2
131.04955	7.3
131.08582	1.0
133.02861	2.1
133.06438	1.3
133.10135	1.6
134.03586	2.0
135.04393	2.3
135.08041	2.1
137.05981	7.4
139.03922	7.1
140.04680	8.5
143.08589	1.1
145.02884	1.3
145.06487	1.3
147.04427	14.3
148.05167	2.6
149.05992	17.5
149.09688	0.9
151.03897	2.0
151.11212	1.5
152.04716	2.4
152.06125	1.2
153.01852	1.2
153.05566	1.4
153.07005	3.9
153.09126	0.8
155.07060	10.4
157.06480	1.8
159.04457	3.2
161.06042	2.1
163.03879	3.0
163.07536	5.9
163.11122	1.1
165.05490	12.2
167.07051	100.0
168.07397	1.4
169.06528	1.0
171.08034	2.0
176.04652	0.8
177.05484	24.3
179.07095	1.0
181.04958	13.5
181.06505	7.9
181.08092	0.9
181.08629	1.1
184.05254	0.8
191.06970	4.0
194.05786	1.2
195.06587	1.3
198.06775	1.0
199.07559	47.5
200.07950	1.2
209.08118	21.9
209.11530	0.9
209.15144	0.9
227.07040	13.8
227.09143	2.8
227.17567	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03933	1.8
55.01874	5.4
55.05499	1.4
56.96561	1.2
57.03426	1.0
57.07080	0.9
65.03941	7.6
67.05503	5.0
68.99763	0.6
69.03420	2.3
69.07053	2.0
70.06596	1.0
71.04983	1.2
71.49706	0.6
71.50190	0.7
73.02921	41.6
79.05508	2.8
81.03413	1.3
81.07047	2.5
82.04208	3.1
83.04962	0.9
83.08615	1.7
85.02906	5.6
86.06581	0.6
86.09686	0.7
91.05485	4.4
93.03397	2.5
93.07063	3.4
95.04973	7.8
95.08622	1.0
97.02886	1.7
97.06541	3.4
98.97561	0.9
99.04427	0.9
100.11256	2.3
103.05458	1.4
105.04527	1.0
105.07024	1.6
107.04944	2.7
107.08606	1.5
108.02130	0.9
108.69392	0.5
109.06522	1.6
110.03683	3.7
111.04430	2.2
111.05590	0.9
111.08100	0.9
112.05110	0.6
113.06011	0.6
116.07094	0.9
121.02887	0.8
121.06518	3.2
121.10135	1.3
123.00788	0.7
123.04438	10.0
123.08047	1.0
124.05240	1.0
125.02341	3.2
125.05984	2.8
125.09614	1.0
128.98619	0.7
131.04921	0.7
131.08521	0.7
133.10150	1.3
134.03635	0.6
135.08003	0.8
137.05984	1.8
137.09654	0.8
137.23447	0.7
138.03120	2.5
139.03908	1.2
140.04688	50.5
142.02603	2.2
143.90962	0.7
145.10173	1.0
147.04382	1.4
148.05139	0.8
149.05972	1.7
151.03857	0.8
151.11177	0.6
153.05476	3.5
153.06848	1.0
153.09058	0.9
155.07040	60.8
163.07581	1.4
163.11247	0.8
165.05446	1.3
166.06270	1.1
167.07043	14.5
167.10643	0.7
171.06601	3.3
171.07887	0.8
173.08093	2.6
177.05464	2.5
179.07040	2.6
181.04967	100.0
182.05315	1.9
191.10641	1.0
199.07533	3.4
209.04674	1.0
209.08098	25.5
210.08498	1.0
211.55270	0.6
227.07068	1.9
227.09090	14.5
227.14110	1.1
227.16269	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03945	1.6
55.01881	5.9
55.05507	1.8
65.03953	6.9
67.05510	3.7
69.03431	1.6
69.07050	2.2
69.79453	3.9
71.04979	1.8
73.02924	36.5
77.09760	0.7
78.97842	0.7
79.05490	1.6
81.03439	0.6
81.07051	2.1
82.04202	2.9
83.05016	0.8
85.02905	4.4
91.05471	2.5
93.03416	2.8
93.07035	2.8
95.04971	6.5
95.08588	0.8
97.06547	3.6
98.20757	0.7
99.04470	1.0
99.08076	0.8
100.11263	3.4
103.05452	1.4
105.07037	1.7
107.04945	1.7
107.08597	2.7
108.02082	1.4
109.06503	0.7
110.03685	4.0
111.04469	0.9
115.07570	1.0
121.06516	1.9
121.10168	1.0
123.04446	8.1
123.11711	0.7
125.02372	3.3
125.05992	2.3
127.03903	2.6
131.08615	0.9
132.52950	0.7
133.10175	5.0
138.03127	1.5
139.03836	0.6
139.11148	1.4
140.04695	51.9
142.02617	2.4
145.10213	0.6
149.06001	0.8
153.01848	1.9
153.05496	4.2
153.06628	0.5
153.07117	0.5
155.07043	56.9
163.03993	0.8
167.03333	0.6
167.07057	4.3
171.06572	4.0
173.08081	2.0
173.13275	1.3
177.05563	0.8
179.07045	1.7
181.04971	100.0
182.05383	2.0
191.14352	1.3
199.07610	2.8
209.04570	2.3
209.08095	19.7
209.09923	1.3
227.07088	1.5
227.09138	13.3
240.31155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.86446	3.2
55.01868	5.7
55.05524	18.1
57.03441	4.5
57.07085	5.5
59.05003	9.3
62.44762	2.9
65.20149	3.1
65.69248	2.7
67.05505	12.4
69.03436	30.1
69.07079	21.6
69.48802	11.6
69.49233	10.9
71.04999	50.0
76.51509	3.5
79.05497	21.5
81.03422	5.6
81.07067	37.1
83.04998	19.3
83.08626	9.3
84.08158	7.9
85.02921	13.6
85.06563	10.3
85.95674	3.0
87.04465	10.4
91.05474	23.4
93.07056	32.8
94.45753	3.0
95.04980	17.6
95.08617	37.9
97.06557	17.0
98.21493	6.3
99.04466	100.0
105.03429	4.2
105.07042	49.5
107.08600	56.7
109.06528	39.8
109.10153	15.9
111.04479	3.2
111.08122	15.9
119.08598	35.6
121.06514	10.4
121.10158	62.5
123.04442	4.4
123.08102	37.6
123.11744	24.9
125.05991	5.6
125.09653	11.7
129.07016	3.4
131.08571	12.1
133.06520	7.1
133.10146	26.8
135.08043	7.4
135.11705	10.0
137.05998	7.0
137.09662	19.6
137.13260	4.3
139.07625	5.5
139.11195	30.8
143.08592	6.1
145.10135	10.2
147.08063	10.5
147.11710	24.8
149.09644	34.2
151.07559	11.0
151.11171	28.9
152.09972	2.9
153.09108	3.9
155.02048	3.3
156.09392	5.7
161.09610	14.9
161.13271	19.3
163.11212	10.1
165.09213	3.6
165.12776	17.4
167.10687	24.2
171.11679	11.6
179.10718	4.0
179.14307	11.6
183.12254	4.7
183.13834	29.7
189.12793	27.1
192.37570	3.3
207.13808	48.9
225.09229	5.8
225.12807	5.3
225.14763	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Annuionone A
Peak:m/z	Relative Intensity
52.02755	0.6
55.05519	4.3
57.07069	1.4
59.05020	1.1
62.46669	0.7
65.03913	0.7
67.05505	2.1
69.03420	0.7
69.07074	1.3
70.53304	1.5
70.53696	1.4
71.04998	38.6
79.05495	2.8
81.03412	2.0
81.07068	6.6
83.04973	2.8
83.08629	6.7
85.02921	2.3
87.97109	0.6
91.05490	3.7
93.07036	3.1
95.04963	0.6
95.08618	6.6
97.06536	1.5
97.10204	0.7
98.20749	0.7
99.04462	100.0
105.07030	6.0
107.07877	1.4
107.08601	29.9
109.06522	21.0
109.10169	0.8
111.04446	0.9
113.09647	5.2
119.08553	3.1
121.10144	10.9
123.08086	13.6
123.11715	14.0
125.05938	1.0
125.09663	7.7
131.08577	1.2
133.10124	1.7
137.09593	1.2
137.13312	0.8
139.11192	2.9
141.12781	1.8
147.11674	6.6
149.09633	9.7
151.07544	1.3
151.11180	1.1
161.09654	0.8
161.13304	1.4
163.11165	1.2
165.12753	9.0
167.10695	24.1
179.10680	1.2
183.13821	28.1
189.12801	2.8
194.98753	0.7
207.10193	0.8
207.13754	3.2
225.14821	10.1
225.99287	0.6
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	Unknow
Peak:m/z	Relative Intensity
51.03365	0.6
55.01864	0.8
55.05513	5.3
62.94093	0.7
67.05495	2.2
68.40139	0.7
69.03424	1.0
70.13467	3.3
71.04997	37.3
71.09036	0.7
73.44993	0.7
79.05504	4.4
81.03384	0.8
81.07069	7.4
83.04974	2.3
83.08630	5.8
85.02903	1.6
91.05473	3.3
93.07050	3.4
95.04943	0.9
95.08601	5.0
97.06519	2.5
99.04460	100.0
105.07018	6.0
107.08606	31.4
107.57664	0.9
109.06514	18.8
109.10162	2.4
111.08060	0.9
113.09639	3.7
117.79362	0.8
119.08561	2.4
121.10161	9.9
123.08080	12.7
123.10944	1.2
123.11723	12.1
125.09637	6.5
131.08574	1.8
133.10083	2.3
137.09596	1.0
139.11183	1.7
141.12746	1.4
147.11713	6.3
149.09630	8.3
151.07590	1.1
163.11235	1.7
165.12776	8.0
167.10680	22.0
179.10684	0.9
183.12135	1.5
183.13815	27.5
189.12711	1.9
207.13786	1.2
225.14804	8.7
243.17377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03951	4.6
55.01875	3.9
55.05507	12.8
57.03425	4.0
57.07098	4.2
57.22366	2.6
59.05006	4.1
67.05515	13.1
67.12616	1.8
69.03421	7.8
69.07073	11.6
71.04996	42.4
71.51453	3.0
79.05499	14.2
81.03431	3.8
81.07065	28.2
83.04980	8.5
83.08623	10.9
85.02900	7.8
85.06546	5.6
91.05483	19.3
93.07050	21.7
95.04963	10.6
95.08616	22.2
97.02886	6.5
97.06534	12.9
99.04464	100.0
99.05121	4.8
99.08100	6.8
103.05479	2.5
105.03401	7.0
105.07041	32.4
107.00433	2.3
107.04954	6.2
107.08606	51.2
109.06529	34.8
109.10160	18.5
111.04465	3.4
111.08085	6.1
113.05985	4.5
113.09612	5.9
115.05480	2.6
117.07024	3.8
119.04995	2.2
119.08598	16.2
121.06545	4.0
121.10142	23.9
123.08082	28.0
123.11714	24.7
125.05985	5.4
125.09638	9.3
131.08565	2.4
133.06473	4.2
133.10144	23.9
135.04407	2.1
135.08052	3.2
135.11691	5.9
137.05965	6.2
137.09625	4.7
137.13261	5.3
139.07538	3.0
139.11206	5.6
141.09093	3.0
141.12737	2.8
143.08585	3.0
145.10121	4.3
147.08022	5.2
147.11711	15.8
149.09627	17.5
151.07550	13.4
151.11172	6.1
155.07025	2.0
159.11710	2.3
161.09616	21.0
161.13309	12.1
163.11179	9.6
165.09171	2.4
165.12807	19.0
167.07077	3.1
167.10695	27.4
169.10107	4.4
171.11684	4.0
178.00031	1.8
179.03346	3.8
179.10652	7.0
179.14308	5.0
183.13835	36.9
189.09097	3.5
189.12744	9.8
193.05103	2.3
207.06583	2.3
207.10220	3.0
207.13824	25.5
225.05733	2.3
225.09230	3.5
225.12744	5.9
225.14684	22.9
226.09543	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	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.01003	2.3
51.18988	2.4
51.26537	2.2
55.05515	5.8
57.07073	4.6
59.04989	7.0
59.68148	2.2
67.05515	23.6
69.03419	3.4
69.07064	4.6
69.43562	19.7
71.04987	4.3
79.05495	5.1
81.07066	25.6
83.04985	4.1
85.02916	100.0
85.06542	9.8
91.05486	4.1
93.07054	10.6
93.44666	2.7
95.08619	94.8
99.04455	6.8
105.07069	11.9
107.08603	10.9
109.06516	6.5
109.10162	12.8
110.04399	2.3
113.06016	10.1
119.08595	10.6
121.10122	11.9
123.08083	28.7
123.11718	78.7
125.05997	6.6
135.11711	11.1
137.09602	5.7
141.09099	5.3
145.10178	2.9
147.07988	4.1
147.11711	7.4
149.09642	23.8
151.07524	3.4
154.12567	2.4
161.09537	3.2
161.13290	6.3
163.11156	2.7
165.12755	6.2
167.10779	3.2
189.12749	9.3
207.13866	25.2
225.14767	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	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01891	1.6
55.05515	8.1
57.03439	1.8
59.05011	10.7
67.05513	11.2
69.03433	15.3
69.07070	9.0
71.21867	1.3
71.42619	3.0
73.47675	1.3
75.30983	1.3
75.34898	1.2
79.05504	13.9
81.03406	2.1
81.07066	18.5
83.04990	9.2
83.08621	3.6
83.97527	1.2
85.66372	1.4
87.04474	12.2
91.05490	12.8
93.07051	45.8
94.07391	1.3
95.05001	6.3
95.08615	14.9
97.06551	7.4
99.04500	1.5
101.06017	2.2
105.07037	37.0
107.04983	1.6
107.08611	30.3
109.06535	11.3
109.10156	7.2
111.08099	8.0
117.07030	3.8
119.04903	1.7
119.08603	19.4
121.06550	2.1
121.10140	8.7
123.08079	14.2
123.11748	3.0
125.09634	2.0
128.06239	1.7
129.07056	2.3
131.08592	4.4
133.06522	2.9
133.10127	9.9
135.08073	2.1
135.11682	2.0
137.05992	2.7
137.09633	2.9
139.11206	5.0
141.09157	1.5
143.08577	6.0
145.10179	2.6
147.08070	6.2
147.11693	11.7
149.09625	6.4
151.11200	100.0
152.11456	1.8
156.09319	4.5
159.11690	6.0
161.09650	5.0
161.13269	14.8
163.11174	3.6
165.12762	2.7
166.46834	1.7
171.11694	5.3
174.10416	2.7
177.12767	5.1
179.14400	2.7
189.12758	18.7
207.13824	82.7
225.14894	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1487
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.09697	1.1
53.03953	2.3
53.13937	0.9
55.05515	3.1
56.05053	1.1
57.03435	2.6
57.07074	4.2
59.05009	1.3
62.45695	1.0
65.03945	1.5
67.05510	9.6
69.03436	3.3
69.07080	4.2
71.04993	4.6
71.51279	1.1
73.17728	1.0
75.16677	1.0
75.79234	1.0
79.05500	7.3
81.03339	1.0
81.07066	25.6
83.04972	5.8
83.08624	1.9
85.02913	100.0
85.06554	2.4
91.05481	7.6
93.07048	8.1
95.04974	4.4
95.08627	12.8
96.69370	0.9
97.06534	4.5
99.04486	6.6
105.03388	2.4
105.07032	10.8
107.04961	3.3
107.08600	15.0
109.06549	8.3
109.10169	15.1
111.04451	1.1
111.08097	4.0
113.06004	2.2
119.04984	2.6
119.08598	11.7
121.06557	2.2
121.10145	13.3
123.04452	1.9
123.08119	6.2
123.11717	75.3
125.06014	9.4
125.09671	3.1
131.08594	3.8
133.10158	5.3
135.11711	1.5
137.05989	2.0
137.09653	4.0
139.07547	2.4
141.07025	1.8
143.08597	1.5
145.10118	2.1
147.08075	3.6
147.11685	5.3
149.09633	14.2
151.03914	1.7
151.07591	6.2
151.11177	1.6
156.09398	1.7
161.09618	3.4
161.13266	7.5
161.14439	1.1
163.11180	5.9
165.05537	1.1
165.09142	1.3
165.12791	2.9
167.07138	1.3
167.10727	3.8
171.11702	2.2
175.03934	1.2
179.10667	1.3
179.14340	2.5
180.04132	2.2
183.13747	1.5
189.09265	1.3
189.12776	10.4
193.04948	2.0
197.06013	2.5
207.06569	3.0
207.10184	1.4
207.13818	24.5
208.09732	1.4
225.05743	1.2
225.07610	2.5
225.09438	1.8
225.14893	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	225.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87691	2.0
53.03939	3.0
53.53352	1.8
55.01874	4.6
55.05513	14.7
57.03424	5.0
57.07072	7.6
59.04993	3.7
67.05506	19.3
69.03429	11.4
69.07068	14.0
70.09872	9.1
71.04998	47.4
79.05492	20.1
80.06256	2.0
81.03429	7.3
81.07057	38.8
82.77583	2.1
83.04993	21.1
83.08630	10.8
85.02911	7.8
85.06541	8.7
87.04462	3.8
89.26079	2.1
91.05482	18.8
93.07047	30.1
95.04983	10.8
95.08617	29.4
97.02911	4.7
97.06541	14.0
99.04462	100.0
99.08102	7.4
105.03419	5.1
105.07038	42.0
107.04966	6.4
107.08599	57.3
109.06520	38.9
109.10155	20.4
111.04484	4.8
111.08089	8.6
111.11722	3.8
113.05968	3.6
113.09644	4.8
119.04944	4.2
119.08588	20.0
121.06536	9.1
121.10147	22.8
123.08072	35.3
123.11713	29.6
124.94063	2.4
125.05991	7.0
125.09624	12.5
127.07547	3.2
128.06197	2.9
129.06967	2.3
131.08597	6.9
133.06528	3.8
133.10130	27.7
135.11687	5.2
137.05965	7.1
137.09601	10.1
137.13268	4.3
139.11198	8.1
141.06998	4.1
141.09158	4.6
143.08559	8.2
145.10133	5.7
146.07303	2.1
147.11723	20.3
149.09604	20.8
151.07552	13.9
151.11224	13.3
153.07115	2.5
153.12781	2.8
155.08545	3.1
161.09650	23.0
161.13303	11.6
163.11186	12.6
165.07019	2.7
165.09129	2.8
165.12781	16.4
167.10713	33.6
169.10202	2.2
171.11781	2.6
179.10692	8.0
179.14340	5.9
181.06436	2.6
181.10161	2.7
183.11600	3.6
183.12250	3.1
183.13834	29.3
189.09122	7.3
189.12784	13.6
192.70212	2.0
197.13322	2.2
207.06419	2.4
207.10251	4.6
207.13820	32.1
225.09158	3.4
225.12718	4.8
225.14590	22.4
225.16531	5.6
225.20451	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	225.1123
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
53.03939	3.2
55.01871	3.2
55.05515	13.2
55.40405	1.5
57.03426	4.8
57.07063	6.4
59.05003	3.8
67.05502	12.5
69.03425	6.6
69.07063	11.7
69.85947	7.8
71.04997	38.3
79.05491	15.8
81.03415	3.3
81.07064	32.9
83.04986	11.8
83.08630	10.0
85.02892	7.3
85.06538	6.0
91.05499	17.3
93.07045	25.2
95.04972	6.1
95.08614	22.0
97.02882	5.2
97.06532	12.1
99.04457	100.0
99.08083	4.4
105.03416	2.2
105.07040	35.8
107.04932	4.9
107.08600	47.5
109.02900	1.9
109.06517	35.7
109.10155	13.4
111.04445	4.2
111.08092	4.9
111.11765	2.1
113.05994	2.3
113.09640	3.8
115.05515	2.0
117.07024	1.9
119.04902	2.5
119.08566	15.2
121.06485	5.0
121.10141	22.1
123.04427	2.3
123.08063	24.9
123.11691	18.9
125.05991	6.2
125.09634	11.7
127.07596	3.3
128.06172	2.4
131.08548	4.7
133.06517	3.7
133.10121	25.6
135.08032	2.4
135.11690	3.1
135.65845	2.0
137.05971	4.2
137.09615	5.9
137.13239	3.0
139.11195	4.9
141.07033	1.8
143.08557	5.7
145.10130	4.3
146.07214	2.5
147.08054	1.9
147.11720	13.8
149.09628	16.2
150.10010	1.6
151.07578	10.5
151.11195	8.9
161.09639	22.7
161.11989	1.8
161.13225	8.8
163.11172	8.2
165.05405	2.4
165.09030	3.0
165.12798	15.3
167.10678	24.9
169.06490	2.0
169.10117	3.3
171.11676	3.2
179.10663	8.3
179.14307	3.5
180.04053	2.2
181.06371	1.8
183.12086	2.7
183.13812	38.0
189.09111	5.3
189.12753	8.1
193.12100	2.1
197.13310	1.8
207.10135	2.8
207.13789	23.0
221.86064	1.9
225.09129	3.4
225.12859	3.1
225.14728	17.7
225.16307	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41215	0.6
56.96562	1.1
68.39274	0.7
71.49102	1.1
82.99844	5.5
84.96027	3.0
94.23429	0.6
98.97556	3.3
101.00888	48.6
102.00948	0.7
103.00668	0.9
112.83293	0.8
116.98805	2.8
119.01927	62.6
120.02029	1.9
122.97829	1.1
124.02501	1.1
134.99886	4.0
137.02957	7.1
140.98836	11.0
142.03506	6.8
145.08524	0.7
153.00977	1.0
158.99907	26.3
160.00018	2.1
160.04524	1.1
161.02969	2.1
164.98727	0.7
175.03009	3.2
177.00963	99.5
178.01099	6.3
179.03986	2.5
182.99777	5.6
183.01239	0.8
190.49561	1.9
193.04034	0.7
195.02080	1.4
199.02969	1.2
199.50079	3.1
200.02638	1.3
201.00876	12.3
201.02507	1.6
202.00893	1.0
202.02663	1.0
215.99689	1.3
217.04094	14.9
219.02017	100.0
220.02122	11.3
221.02049	1.0
225.00760	4.2
234.00768	2.4
238.95604	1.1
243.01994	32.4
244.02113	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1283
Annotation	Maokonine
Peak:m/z	Relative Intensity
54.72603	0.6
55.05512	1.2
58.06601	3.0
58.23792	0.6
58.79721	0.6
59.05013	1.2
68.05042	2.3
69.55692	2.1
69.56120	2.1
70.06577	1.2
72.08161	39.8
78.59605	0.5
79.05052	0.8
79.05498	5.7
80.05014	0.8
82.06591	1.9
84.04538	0.7
84.08163	5.3
86.06052	0.7
91.05486	8.2
93.07059	1.8
95.04971	0.6
98.21473	1.4
103.05470	12.3
104.06292	0.6
105.07040	36.5
107.04936	4.0
108.08147	1.1
110.09695	17.4
112.11241	2.6
114.05479	0.7
115.05437	1.5
117.05765	1.3
117.07013	1.1
118.06548	14.6
119.07318	0.8
120.08116	19.5
120.08958	1.3
128.06227	5.1
130.06528	3.9
131.04948	3.5
131.07306	3.4
131.08557	1.6
132.08107	2.9
136.07571	1.4
136.11206	2.3
136.12149	0.7
143.08578	4.9
145.08835	1.2
149.02385	0.7
149.06050	0.7
150.02679	0.7
150.09103	0.9
153.13861	1.6
160.11230	100.0
161.11571	1.5
178.12283	88.9
179.12685	1.4
180.13850	2.5
200.48405	0.6
206.08282	0.8
206.11783	12.1
207.18628	4.9
224.09200	1.5
224.12827	28.2
224.16499	2.2
224.21260	4.8
226.04401	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0921
Annotation	Carboxysalsolinol
Peak:m/z	Relative Intensity
56.96301	1.0
56.96568	15.2
57.03425	1.1
62.06085	1.9
67.05479	1.1
68.56268	0.8
68.58308	0.7
69.03417	2.0
69.07037	1.8
70.06611	4.2
71.50288	1.3
72.08146	1.7
73.02903	2.3
74.02431	3.3
79.05505	4.9
81.03386	1.2
82.06566	0.9
83.05013	1.1
84.04486	1.0
84.08125	3.3
84.96029	1.9
85.02896	3.6
86.09695	1.9
91.05489	4.8
94.06584	0.8
95.04958	1.5
97.02887	2.0
98.97594	8.7
102.95150	0.7
103.05492	6.0
105.03352	0.9
105.07036	23.2
107.04945	3.5
109.02885	1.4
110.06059	9.4
110.97565	2.7
111.04456	1.1
112.07617	2.0
115.05444	1.8
116.98629	4.2
117.05762	7.8
119.07304	3.0
120.08107	3.5
121.06488	1.4
121.10130	1.2
124.07585	0.8
124.99150	0.9
126.05504	0.9
127.03998	0.9
128.98615	3.2
130.06537	6.4
131.00256	0.8
131.04932	2.6
132.08099	100.0
133.02795	1.5
134.05965	1.1
134.09631	1.2
134.99615	1.5
136.07568	3.6
137.05934	0.8
138.05479	1.1
143.00134	1.8
145.01698	1.3
145.04947	0.9
146.99663	1.1
147.04420	1.7
150.02676	0.9
150.09059	2.2
153.01831	1.6
155.00145	2.3
158.99677	2.0
161.04659	1.9
161.07144	0.9
162.05490	1.3
165.05495	1.0
168.03496	0.8
170.99709	1.4
173.01262	1.6
177.00696	1.5
178.08646	91.3
182.99600	1.5
188.09367	0.8
193.04408	1.2
201.00752	7.5
201.02402	1.1
201.95145	0.7
202.04778	0.9
206.08028	0.9
206.11746	1.1
219.01733	4.6
224.02139	0.8
224.09215	7.3
224.12798	4.9
225.04063	1.0
226.04359	2.4
237.02733	1.3
242.03275	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1331
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
55.01871	2.3
55.05512	16.9
57.07077	2.3
65.03920	2.1
67.05508	12.0
67.67773	1.7
69.03434	9.7
69.07058	7.3
71.05006	5.8
71.51514	2.2
79.05503	15.5
81.03410	1.8
81.07062	15.5
83.04987	15.8
83.08625	62.3
85.02912	8.7
85.06554	3.3
91.05490	13.8
93.07063	17.1
95.04988	6.1
95.08613	20.6
97.02900	26.0
97.06554	5.4
99.04450	8.3
99.08096	1.9
100.91633	1.7
103.05455	2.1
105.07042	18.4
107.04976	3.0
107.08604	100.0
109.06532	5.6
109.10147	8.8
109.17970	1.5
111.04461	3.0
111.08069	2.5
117.07057	5.3
119.08580	30.6
119.09356	2.0
121.02853	1.9
121.06527	9.1
121.10152	33.7
123.04432	1.8
123.08078	16.7
125.06026	6.6
125.09639	57.3
129.07025	2.4
130.07790	2.9
131.08620	5.4
133.10152	3.9
135.08087	5.0
135.11703	15.5
137.09627	11.0
139.07565	8.5
139.11208	2.0
144.09357	2.2
145.10130	16.9
147.08058	21.4
149.02374	6.8
149.05968	2.6
149.09641	1.9
149.13284	2.9
153.12784	6.0
159.08043	2.5
159.11711	25.5
161.09564	2.4
161.13275	1.7
163.04024	2.3
163.07608	4.2
163.11186	59.8
165.09111	16.1
167.07104	3.7
172.08894	2.3
177.05510	1.9
177.12750	10.6
181.12253	39.4
187.11131	8.3
190.03143	1.9
195.06567	1.7
202.96211	1.5
205.04874	2.6
205.08513	1.5
205.12248	34.1
208.12529	1.8
214.36171	1.8
223.06117	6.5
223.13293	38.2
223.17023	4.4
223.18947	3.6
224.13588	1.7
225.04375	4.8
236.99022	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	223.133
Annotation	Annuionone B
Peak:m/z	Relative Intensity
53.03933	2.8
54.15126	2.4
55.01858	5.4
55.05523	21.8
61.02913	12.4
67.05476	7.9
69.03419	13.7
69.07046	6.0
70.87010	7.4
71.04988	9.5
71.33168	2.7
79.05499	15.3
79.93749	3.4
81.03410	8.1
81.07076	13.2
83.04990	33.5
83.08624	44.9
85.02894	5.0
90.52702	2.7
91.05495	16.5
93.07049	39.8
95.04961	6.8
95.08621	22.6
97.02882	19.8
97.06504	6.1
98.21516	2.8
99.04453	12.3
101.06012	3.0
105.07035	28.0
107.04999	6.2
107.08608	76.4
107.09270	2.8
109.02845	6.4
109.06505	6.7
109.10134	10.1
111.04401	3.5
111.08042	4.6
111.17213	2.4
117.07004	9.8
119.08585	49.2
121.06508	22.7
121.10146	42.8
123.08057	29.1
125.06013	5.9
125.09644	37.5
130.07727	4.4
131.08565	7.1
133.10117	7.9
135.08072	28.6
135.11702	21.5
137.09599	18.5
138.81206	2.8
139.07542	7.1
141.66386	2.9
144.09319	7.4
145.06480	3.3
145.09061	3.4
145.10136	41.3
147.08026	24.0
149.02351	7.5
149.05969	9.8
149.09589	6.7
149.13249	6.2
153.12727	4.5
159.08020	3.8
159.11694	35.0
161.09607	7.8
163.07503	5.1
163.11188	100.0
165.09128	70.2
167.03369	6.8
167.07037	7.0
172.08824	6.3
175.11182	4.5
177.05557	6.1
177.12747	72.9
181.12241	31.7
187.11220	13.6
193.82233	3.0
195.06596	5.3
198.54182	2.5
205.10431	4.8
205.12247	57.6
223.06026	10.8
223.13286	94.0
223.16710	4.4
225.04355	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	223.133
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
51.21874	3.1
54.10701	3.0
55.05517	19.1
67.05492	8.0
69.03440	17.6
69.24180	7.7
69.24584	25.2
71.04984	8.6
79.05500	18.3
81.07056	14.0
83.04990	19.0
83.08624	71.8
85.02934	3.9
91.05506	19.7
93.07047	24.2
95.04984	7.9
95.08604	15.9
97.02902	32.8
97.06525	8.8
99.04463	12.3
105.07024	25.6
107.05003	3.8
107.08600	100.0
107.21929	3.3
109.06527	9.1
109.10176	7.4
111.08083	6.0
117.07020	9.2
119.08596	34.2
121.06485	23.0
121.10162	37.8
123.08074	19.8
125.05995	8.4
125.09640	63.5
129.06975	6.2
131.08553	8.3
133.10147	10.4
135.04425	3.7
135.08060	16.1
135.11731	16.5
137.09639	8.0
139.07539	9.0
139.11176	5.1
144.09351	5.5
145.10133	20.5
147.08046	23.7
149.02374	9.5
149.05981	4.8
149.09564	5.9
153.12740	5.1
159.08112	3.7
159.11697	32.2
161.09669	3.4
161.13306	3.9
163.07562	5.6
163.11189	87.2
165.09128	24.2
175.11264	3.7
177.12749	73.8
181.12270	43.0
187.11180	17.9
205.12238	65.8
206.26738	3.3
223.13260	68.7
225.04306	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	223.133
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03949	8.9
55.01870	5.3
55.05502	7.4
57.03422	2.3
57.07066	5.1
59.05016	9.7
64.63064	1.7
65.03955	2.3
67.05518	15.8
69.03439	19.3
69.07060	8.9
69.69962	1.7
71.04980	2.8
71.21317	5.5
77.03902	2.5
79.05508	15.9
81.03420	2.0
81.07052	12.7
83.04993	20.4
83.08612	2.7
85.02903	3.7
85.06546	5.0
87.04501	2.2
91.05490	46.4
93.07051	100.0
95.04966	22.0
95.08614	11.9
97.02872	3.1
97.06522	9.2
98.97617	3.7
99.04451	3.7
101.05988	2.8
103.05464	8.1
105.03405	3.0
105.04514	2.5
105.07043	28.0
107.04957	6.3
107.08605	30.0
109.06535	17.4
109.10152	6.1
111.04470	2.9
111.08076	8.7
113.06003	6.1
114.80314	2.1
115.05471	4.3
117.07024	12.6
119.04983	2.3
119.08595	18.3
121.06513	96.8
121.10150	25.7
123.08080	6.8
125.05910	2.8
125.09651	6.9
125.97667	2.0
126.36498	2.1
127.07564	9.0
128.06181	2.1
128.77951	1.9
129.05417	2.2
129.07030	9.2
130.06528	6.1
131.04889	2.4
131.06927	16.2
131.08545	14.3
133.06485	4.8
133.10126	10.5
135.04411	2.0
135.08047	14.1
135.11743	9.0
137.09612	6.3
139.03891	2.2
139.07573	14.3
139.11232	2.2
141.06970	2.6
142.07819	5.4
143.08572	2.5
144.09315	7.5
145.06525	5.6
145.10120	16.3
147.08041	6.5
147.11676	3.9
149.02345	7.3
149.05951	7.3
149.07919	5.9
149.09630	75.3
153.09129	17.3
157.10075	12.3
159.06380	6.4
159.08064	5.0
159.11707	30.3
160.08882	2.7
161.09666	5.5
163.07547	3.4
163.11180	15.8
164.11855	2.0
165.09187	4.3
166.00494	2.0
167.07050	4.6
172.08861	9.7
175.11198	24.6
177.05696	2.3
177.07404	14.0
177.09126	5.1
177.12724	13.7
179.10661	5.2
181.12279	2.2
187.07603	2.2
187.11209	27.3
193.12206	4.3
205.04861	1.8
205.08551	2.6
205.12216	32.9
209.01212	2.2
210.31177	1.9
223.06070	4.6
223.09732	4.3
223.13281	59.0
225.04298	9.2
230.12396	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03941	4.1
55.01871	7.1
55.05519	19.8
57.03434	4.0
57.07062	2.8
65.03930	3.3
67.05505	14.2
69.03432	31.4
69.07070	12.0
70.06582	2.7
71.04990	11.0
72.08167	3.0
79.05502	20.5
79.84650	2.9
81.03434	4.0
81.07051	21.9
83.04985	18.4
83.08622	54.1
84.21922	3.0
85.02917	10.2
91.05472	19.6
93.07057	33.7
95.04987	11.4
95.08611	31.4
97.02908	47.5
97.06536	13.7
97.10215	3.0
99.04425	9.1
101.49829	2.6
103.05420	2.8
105.07030	28.7
107.04953	8.0
107.08601	100.0
109.02852	3.0
109.06549	15.3
109.10133	13.6
111.04452	3.1
111.08094	9.0
117.07030	9.4
119.08603	30.3
121.06510	18.1
121.10155	45.0
123.08073	26.2
124.07629	6.1
125.05996	15.6
125.08020	3.0
125.09639	46.1
129.06993	5.2
130.07802	3.6
131.08560	12.1
133.06487	6.1
133.10156	9.6
135.08072	10.2
135.11742	19.7
135.12672	3.5
137.06059	4.1
137.09605	12.8
139.07573	14.0
139.11188	10.4
144.05762	3.1
144.09373	4.5
145.10133	26.0
147.08067	20.4
149.02347	12.5
149.06029	5.8
149.09656	9.3
151.11148	3.7
152.10730	7.4
153.11063	12.1
153.12778	6.4
159.08014	3.5
159.11714	27.7
160.94502	2.8
161.09651	4.5
162.03075	3.8
163.03975	4.7
163.07510	6.8
163.11179	65.8
165.09155	22.7
167.03339	3.9
167.07076	10.3
177.05534	4.9
177.12775	12.4
178.77361	2.7
181.08661	2.8
181.12247	57.7
187.11168	11.2
190.02628	6.1
195.06679	5.4
195.08246	3.3
195.13779	4.0
205.12265	34.0
223.06021	35.0
223.11235	5.5
223.13268	51.1
223.16898	8.1
223.19019	8.2
225.04315	12.4
229.02263	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	223.1329
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
53.03942	2.4
55.01882	2.5
55.05511	17.3
57.03438	1.4
57.07061	1.9
59.04989	3.6
59.88437	1.3
65.03933	1.8
65.73352	1.3
67.05495	7.5
69.03433	13.3
69.07066	4.2
69.21645	6.2
69.22065	5.9
69.36687	1.1
70.06567	1.7
71.04987	5.7
79.05495	9.9
81.03410	2.0
81.07059	14.1
83.04984	95.7
83.08583	2.2
85.02896	3.7
89.06000	2.2
91.05463	11.2
93.07043	15.4
95.04966	21.5
95.08599	7.6
97.02894	5.2
97.06523	5.5
99.04485	7.1
103.05443	2.7
105.07034	13.6
107.04960	4.1
107.08590	15.2
109.06490	11.9
109.10157	4.2
111.04445	3.1
111.08088	3.9
113.06032	1.6
117.07022	6.0
119.08571	9.5
121.06506	16.0
121.10162	9.7
123.04423	3.2
123.08060	4.0
125.05991	8.9
125.09632	2.1
129.06966	2.9
131.04903	1.8
131.06905	3.4
131.08569	4.9
133.06445	1.4
133.10143	4.3
135.04448	2.3
135.08095	7.5
135.11703	5.5
137.05998	2.8
137.09631	3.8
139.07549	21.1
143.08574	1.3
144.09341	3.0
145.06528	1.7
145.10118	9.4
147.08064	3.8
149.02321	4.6
149.05991	6.4
149.09622	32.1
149.13284	2.4
151.11119	2.0
153.05460	1.7
153.09093	2.2
159.06245	1.8
159.08093	1.7
159.11729	13.7
161.05960	1.9
161.09665	4.0
163.07562	3.0
163.11208	11.0
165.09126	3.4
167.07083	6.3
167.08286	1.3
175.11160	2.5
177.07355	4.2
177.09062	2.7
177.12758	11.4
179.10686	11.5
180.09271	1.1
181.12120	3.1
187.11163	4.5
190.09782	2.0
200.04915	1.5
205.08348	1.9
205.12259	27.8
223.06004	5.3
223.13293	100.0
224.13591	2.6
225.04228	4.0
227.01993	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03925	9.2
53.04148	2.3
55.01851	9.5
55.05516	12.4
56.96554	2.8
57.03423	3.7
57.07061	4.6
59.04975	5.7
67.05512	24.6
68.99763	2.6
69.03435	19.9
69.07038	7.0
70.06577	4.7
71.05009	3.0
71.51389	2.4
72.08131	3.4
76.49689	1.8
77.03891	3.4
79.05484	24.2
81.03398	8.0
81.07064	17.9
81.68501	2.6
83.04982	25.5
83.08602	2.7
84.04418	2.4
85.02882	7.4
85.06523	3.9
86.90081	2.0
91.05482	47.2
93.07051	100.0
95.04978	27.4
95.08617	15.1
97.02853	6.4
97.06535	12.0
97.31076	2.1
98.97557	3.9
99.04403	2.7
103.05465	11.3
105.03377	3.2
105.04490	3.0
105.07039	36.5
107.04919	8.7
107.07990	3.1
107.08598	34.6
109.06532	18.0
109.10128	8.4
111.04404	3.7
111.08099	12.3
113.05959	4.5
115.05439	4.6
116.98566	2.9
117.07020	17.7
119.04942	3.0
119.08588	29.4
120.08089	2.2
120.96410	2.1
121.02776	3.5
121.06511	98.8
121.10162	37.1
123.04409	2.6
123.08051	9.0
123.11700	3.1
125.05952	3.6
125.09633	3.7
127.07587	5.7
128.06175	2.4
129.07005	11.5
130.06491	6.6
130.07695	2.4
131.04922	5.3
131.06044	2.2
131.06892	26.7
131.08554	21.6
133.04727	2.6
133.06447	5.9
133.10153	10.4
135.08061	17.9
135.11725	13.7
136.08748	2.6
137.05966	4.2
137.09558	9.9
139.03902	3.5
139.07550	18.1
139.11168	2.9
142.07767	4.6
144.09286	5.6
145.06447	7.5
145.10141	19.4
147.08002	7.8
147.11618	4.3
149.02345	19.0
149.05914	8.3
149.07840	4.0
149.09634	71.5
149.13203	3.0
151.07494	3.1
151.11159	7.2
153.09074	12.9
157.10040	9.9
159.06319	5.6
159.08046	11.2
159.11705	34.8
161.05971	3.6
161.09621	11.0
163.03844	3.6
163.07475	6.3
163.11192	22.9
164.07022	2.2
165.09056	7.6
167.07013	9.9
167.08344	2.3
169.10114	2.9
172.08769	9.5
175.11198	24.3
177.05530	4.8
177.07321	21.3
177.09039	13.4
177.12694	20.1
179.10608	6.9
181.12154	5.9
187.07555	3.6
187.11189	25.6
191.06894	3.4
193.12257	3.5
205.08525	8.3
205.12177	37.9
206.08188	2.6
223.05919	12.1
223.09549	8.2
223.11417	2.8
223.13231	74.2
223.16664	4.3
225.04329	19.0
227.02226	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	223.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.8
55.01873	7.8
55.05499	7.3
55.07558	4.4
56.96568	75.0
57.03435	6.8
57.07079	7.4
65.03957	3.7
67.05488	6.5
69.03439	18.7
69.99730	17.1
70.06590	18.7
71.04971	4.0
71.79819	3.8
71.95289	3.6
72.08163	5.1
73.02915	12.7
79.05499	7.1
81.03424	16.8
81.07076	11.4
83.04976	13.5
84.04514	5.5
84.08150	12.8
84.96042	9.5
85.02909	18.6
85.06550	8.6
87.04507	4.9
91.05510	14.2
93.07060	15.9
94.06597	5.3
95.04937	5.9
95.08590	4.6
97.02888	21.6
98.21413	5.2
98.96956	5.7
98.97586	100.0
102.96898	10.5
103.05495	10.5
105.07027	11.7
107.04978	13.6
107.08584	7.4
110.97589	17.6
111.08076	5.0
116.98644	36.7
120.97942	7.0
121.02837	6.4
121.06527	23.8
121.10159	4.5
123.04430	9.1
127.03983	7.2
128.98595	10.7
132.08115	21.6
133.06558	5.1
134.01846	4.8
134.99670	14.3
135.04451	5.4
137.05911	5.1
143.00204	7.5
146.99638	5.1
147.04419	8.3
149.01341	6.0
149.02324	24.9
149.05980	20.4
153.00656	5.3
153.01834	16.0
158.99667	30.1
161.01239	7.3
162.01352	5.8
163.03903	5.5
167.07066	34.1
177.00664	27.1
177.05515	29.4
177.10310	8.5
178.08646	15.7
182.99617	4.4
192.54294	4.1
197.01120	4.5
200.02345	6.5
201.00604	5.2
205.05020	5.1
209.01247	7.2
209.08192	8.5
219.01779	9.6
223.02594	4.2
223.04106	9.2
223.06131	23.4
223.11116	9.6
223.13199	8.1
223.16884	8.8
225.04314	76.5
227.02151	23.3
232.06012	6.6
237.02856	12.2
241.00296	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	222.1126
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
52.32846	0.7
55.05516	0.9
56.96561	1.1
61.93505	0.8
67.05527	0.9
69.03432	1.0
70.06601	6.5
71.01330	0.8
71.50627	1.1
73.37721	0.7
79.05482	1.5
81.07088	0.9
83.08637	0.7
84.04469	0.9
84.08137	0.7
91.05479	3.8
93.07036	0.9
97.02874	1.4
98.97577	2.2
103.05453	1.5
104.04961	1.0
104.55891	0.8
105.07045	1.2
107.08572	1.0
115.05465	2.0
116.07111	3.2
116.98631	1.2
117.05765	1.3
118.06549	6.0
119.07314	3.2
119.08601	1.7
120.08092	2.2
121.06503	1.2
127.07079	2.1
130.06534	26.3
130.07504	1.3
131.04901	1.2
131.07262	1.2
132.03442	0.6
132.04445	3.4
132.08121	0.9
133.06500	2.4
134.09659	11.6
134.10567	1.4
144.08093	8.2
145.08865	3.3
146.09634	1.3
147.10454	0.8
148.05057	0.9
148.07610	6.4
149.02350	1.2
153.01817	2.9
158.06042	15.4
158.99759	0.8
159.06393	2.6
160.11240	42.8
163.03944	1.5
166.08569	0.7
174.09164	30.9
175.22087	0.8
176.07056	15.6
176.09009	2.1
177.00656	0.8
177.07686	1.5
180.97977	0.8
186.05508	1.3
192.10202	43.3
193.10512	1.2
204.06636	2.4
204.10196	5.0
207.16345	0.8
222.07700	3.3
222.11263	100.0
223.11507	1.3
225.04279	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	222.0762
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
55.05486	0.4
56.96569	0.8
57.03420	0.6
67.05492	0.4
70.06603	0.9
71.30125	0.5
72.93784	0.5
77.37145	0.4
77.95266	0.4
78.36679	0.4
79.05487	0.5
81.07063	1.1
83.08654	0.6
85.02896	0.9
91.05473	0.9
93.07036	0.6
98.97603	0.6
103.05473	1.2
104.04998	0.6
105.07057	0.9
106.06561	0.6
106.07322	0.4
107.04935	0.4
107.08566	0.5
115.05482	0.4
116.98634	0.4
118.06548	1.2
120.08120	11.4
120.08909	0.4
121.02869	0.4
121.06521	1.4
130.06535	100.0
131.06822	2.4
131.08501	0.5
132.04459	17.2
134.09621	0.5
145.10172	0.4
146.06027	0.5
148.07581	31.0
149.02403	0.7
158.06020	28.7
159.06364	0.9
164.01613	0.4
166.60902	0.4
176.07080	80.7
177.07434	1.2
177.09029	0.5
194.16118	0.4
198.96873	0.6
204.06548	2.2
216.98070	0.8
222.07619	6.3
222.11275	1.3
222.14967	1.4
225.04384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	0.4
59.12800	0.3
61.20360	0.3
63.70031	0.3
64.52382	0.4
70.06608	1.0
70.85303	0.9
71.82053	0.4
74.94924	0.4
79.05479	0.5
91.05489	0.5
93.07040	0.6
98.97583	0.8
103.05472	0.7
105.07014	0.7
106.06499	0.6
118.06490	0.7
119.07296	0.5
120.08118	11.6
121.06584	0.6
130.06534	100.0
131.06876	1.5
132.04463	17.5
137.62415	0.4
138.39566	0.4
146.06044	0.7
148.07584	30.4
149.07861	0.7
158.06017	30.8
159.06401	0.8
176.07079	81.5
177.07426	1.2
204.06592	2.5
222.07629	5.3
222.11266	0.5
222.14705	0.5
226.48717	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05517	41.0
58.99591	1.9
60.57163	0.6
67.50262	0.5
69.03456	0.5
70.09307	2.5
72.08153	1.0
72.78575	0.5
76.02235	1.2
79.05519	0.6
83.08628	56.3
84.08927	0.6
86.99047	2.7
91.05524	1.2
93.12796	0.5
94.06540	0.5
95.04964	0.6
101.09673	8.8
103.05491	1.2
105.00104	5.1
105.07000	0.7
106.06574	0.6
107.08580	0.8
115.05482	0.6
118.06556	1.2
120.08119	14.2
121.06541	1.1
122.02708	1.1
128.04980	0.6
130.06540	100.0
131.01459	0.6
131.04961	0.7
131.06868	1.5
132.04459	17.1
136.07542	0.5
146.06039	0.8
148.06393	1.3
148.07584	28.1
158.06029	32.2
159.06374	0.9
160.83661	0.6
162.05513	0.8
163.07616	0.9
167.07802	0.6
176.07085	85.8
177.07413	1.6
194.04498	1.9
203.76904	0.6
204.06595	1.6
205.08946	8.5
222.04033	1.2
222.07617	4.5
222.11198	3.1
222.15219	0.8
225.04356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.01853	2.0
55.05510	23.0
55.94793	1.6
57.03428	1.9
57.07080	8.8
59.04993	2.3
65.03928	2.9
67.05182	1.9
67.05506	22.4
69.03416	4.8
69.07069	17.8
71.05002	15.4
71.51080	2.2
79.05500	21.4
81.06593	3.4
81.07061	56.8
83.04984	11.4
83.08244	1.3
83.08636	15.1
85.06528	5.8
91.05483	19.6
93.07050	53.0
95.04965	5.3
95.08612	56.1
97.06518	6.4
97.10182	4.4
99.08072	6.6
103.05466	2.8
105.07043	36.6
107.04927	2.9
107.08602	79.6
109.06502	7.8
109.10162	35.8
111.08059	7.4
113.09637	2.1
117.07007	3.9
119.04927	2.5
119.08585	42.4
121.06496	4.3
121.10154	26.0
123.04411	2.1
123.08096	10.0
123.11703	25.0
125.09606	3.3
127.11173	3.0
129.06985	3.1
130.35864	1.5
131.08548	4.0
133.06490	3.1
133.10129	34.5
135.08041	1.7
135.11700	100.0
137.05873	2.9
137.09645	10.1
137.13277	8.0
139.11200	2.1
142.07806	1.8
143.08505	1.8
145.10086	5.5
147.04492	1.7
147.11685	30.3
149.02432	2.5
149.13290	8.0
151.03865	2.0
151.11195	7.7
153.09096	2.3
159.11627	3.9
161.05957	5.0
161.09645	5.8
161.13261	18.0
163.07634	1.6
163.11151	3.1
163.14799	10.9
165.09090	2.9
165.12740	3.9
175.07518	2.8
175.11227	1.8
175.14790	8.6
177.16371	4.4
179.14308	1.8
193.15855	3.7
203.10620	2.2
203.14308	3.4
203.17978	42.6
206.10973	2.2
206.16216	7.9
221.04378	7.8
221.07823	3.9
221.09799	3.7
221.11563	2.7
221.13345	3.5
221.15422	14.3
221.19022	49.8
239.09769	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	221.1538
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03948	1.9
54.15805	0.8
55.01877	1.5
55.05518	8.4
57.03423	1.1
57.03715	0.8
57.07096	0.8
60.77673	0.7
65.03954	1.4
67.05510	8.8
69.03420	3.3
69.07073	9.2
70.21243	3.4
71.04983	2.8
79.05495	10.0
81.07060	17.4
83.04992	2.3
83.08615	5.8
85.06557	4.4
91.05486	14.1
93.07045	15.7
95.04984	1.9
95.08614	19.7
97.06569	4.0
98.21432	1.2
99.04499	0.8
99.08123	1.1
105.07034	42.8
106.07317	1.0
107.04967	1.3
107.08599	25.1
109.06541	5.2
109.10162	7.7
110.56931	0.8
111.08067	2.8
115.05468	0.9
117.07026	3.0
118.06570	0.9
119.06863	1.8
119.08588	54.3
121.06508	3.4
121.10143	9.8
123.08076	5.4
123.11681	1.5
125.09624	1.3
127.07569	0.8
129.07039	2.0
131.08589	3.5
133.06485	1.5
133.10141	29.9
135.08055	2.5
135.11708	4.8
137.05978	2.3
137.09605	3.3
139.07520	6.2
143.08562	3.4
145.06471	1.0
145.10124	3.3
147.04424	2.0
147.08026	5.7
147.11702	8.7
149.09584	1.0
151.07535	4.4
151.11253	1.1
157.10094	2.3
159.11710	10.2
161.05968	1.2
161.09645	5.1
161.13263	100.0
162.13576	1.1
163.09456	0.8
163.11223	2.5
163.14873	0.9
165.09082	7.5
175.03864	1.4
175.07549	1.5
175.11211	2.8
175.14830	15.5
176.14328	1.1
177.09125	1.5
177.12680	1.5
177.14668	7.5
178.15953	2.0
179.10675	3.5
179.14386	1.6
185.13300	3.0
193.04950	1.2
193.15919	1.2
203.03354	1.7
203.14316	20.5
206.16133	1.2
221.04527	2.0
221.08073	1.8
221.11813	1.8
221.15343	33.5
221.17336	31.1
221.18825	1.2
222.18596	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	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
56.57678	0.5
57.07059	0.7
66.91869	0.5
67.05493	0.7
70.06557	1.6
77.03911	0.7
81.07007	1.1
82.02903	1.8
91.05444	1.3
93.07016	0.7
94.06581	4.7
97.41541	0.6
98.21545	1.2
103.05448	0.8
111.08081	1.1
115.05418	0.9
116.07111	0.7
120.08115	0.9
121.06446	0.8
127.06996	0.9
130.06532	51.2
131.06906	1.0
132.04462	39.9
135.07974	0.6
147.06438	0.6
147.09143	0.7
148.07610	1.3
150.72366	0.6
157.07619	25.2
158.06023	76.8
159.06383	1.4
161.05917	0.7
175.08684	100.0
176.07132	1.6
176.09039	1.8
186.05493	1.8
193.01305	0.7
193.15894	0.9
203.08310	0.8
204.06598	4.1
206.16257	1.3
221.00854	1.5
221.09261	22.1
221.15417	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	221.0923
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
51.05836	0.6
55.01858	0.6
56.96567	4.1
61.02908	1.2
69.03414	1.0
69.51517	1.3
69.51922	2.6
72.45480	0.6
73.02911	1.6
73.79739	0.5
74.02437	1.1
81.03412	1.0
82.02953	2.2
84.17353	0.7
85.02892	1.5
91.05444	0.7
93.07029	0.7
94.06577	4.6
97.02886	1.9
98.97577	5.9
103.05476	0.7
104.04950	1.0
109.02823	0.7
110.97609	1.5
116.98618	1.8
119.01862	0.9
120.08134	0.8
128.02370	0.7
128.98701	0.9
130.06529	74.6
131.06868	1.3
132.04457	44.5
147.09160	1.0
148.07521	3.4
150.09119	0.7
153.01822	1.8
155.02866	1.0
155.54860	2.1
156.06830	0.9
157.07626	37.7
158.06020	87.5
158.99660	2.0
159.06395	1.0
161.02962	0.7
164.55305	1.1
172.08191	1.1
175.08681	100.0
176.07063	1.8
176.08989	1.6
181.04973	1.1
182.03391	1.0
186.05510	2.2
191.03914	1.2
203.08180	13.0
204.06604	5.1
206.16252	0.9
216.99931	0.7
219.01730	1.1
221.04997	0.7
221.09245	19.6
221.12628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
56.96578	3.2
57.03438	1.7
61.02937	4.0
69.03432	1.9
69.23987	5.4
70.06599	0.9
73.02925	4.5
74.02443	1.1
81.03409	1.2
82.02941	2.2
82.99854	0.9
84.08170	0.8
85.02918	3.7
94.06578	4.9
97.02901	2.4
98.97596	5.5
101.00875	2.6
103.00620	0.6
103.05413	0.6
104.04996	1.6
105.51765	0.5
110.97581	2.2
113.00891	1.6
115.02432	1.6
115.05457	1.2
116.98653	1.4
117.01854	0.9
119.01940	2.7
120.08144	1.4
121.01662	0.7
121.06544	0.6
127.03912	0.7
128.98618	1.2
130.06538	68.4
131.01918	1.8
131.06831	0.7
132.04468	43.7
133.03468	1.4
134.06036	0.8
140.04976	0.7
143.01889	1.4
145.03481	1.4
147.09178	0.8
148.07587	3.2
150.09192	0.9
155.01859	1.5
156.06792	0.7
156.97496	1.2
157.03526	1.5
157.07629	28.7
158.06027	85.5
158.99651	0.8
159.06366	1.4
161.02843	1.3
162.03101	0.6
169.03523	0.6
170.03429	0.7
172.08180	2.5
173.02972	1.7
175.08685	100.0
176.04228	0.7
176.07085	1.5
176.09048	1.1
177.00620	0.6
179.02438	0.6
185.02974	1.6
185.07159	0.8
186.05536	2.9
190.09175	1.4
191.03973	1.5
198.06078	0.7
200.04460	1.1
203.03935	1.2
203.08138	3.8
204.06593	4.6
215.04022	0.8
219.01770	0.7
221.03214	0.7
221.05135	3.4
221.09222	18.6
239.06117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1696
Annotation	Fabianine
Peak:m/z	Relative Intensity
60.17173	0.2
70.66628	0.6
71.46095	0.2
93.07043	0.2
98.96044	0.2
103.05463	0.2
118.06549	9.8
119.07364	0.3
120.08096	1.2
121.06661	0.2
132.08092	3.3
133.08887	1.5
134.09666	0.6
144.08092	0.5
146.09641	2.9
147.10432	0.3
148.11168	0.2
160.11176	0.5
161.12015	0.3
162.09149	5.9
163.09949	0.2
176.10777	4.2
176.14359	29.2
177.11490	1.4
177.14725	0.5
190.12267	3.1
192.10207	0.2
193.07536	0.2
202.15941	0.7
205.15869	0.9
220.16972	100.0
221.15454	0.3
221.17336	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	220.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86797	0.2
56.93759	0.2
70.68993	0.6
73.80929	0.2
79.05515	0.2
80.37659	0.2
86.60242	0.2
105.07022	0.3
106.06551	0.2
118.06553	10.4
119.07338	0.3
119.08527	0.2
132.08092	2.6
133.08871	0.9
134.09647	0.7
144.08089	0.6
146.09637	2.8
160.11125	0.5
162.09149	7.6
176.10904	2.0
176.14360	27.3
177.11351	0.3
177.14684	0.7
189.15080	0.2
189.47382	0.2
190.12228	2.5
191.89316	0.2
202.15973	0.8
204.35902	0.2
205.15901	0.8
220.16978	100.0
221.17349	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(1R-cis)-4-(1,2-Dimethyl-3-methylenecyclopentyl)-1,4-cyclohexadiene-1-methanol
Peak:m/z	Relative Intensity
53.03944	3.0
55.01860	2.3
55.05276	1.8
55.05518	25.6
57.03426	1.9
57.07070	3.7
65.03941	1.4
67.05505	15.0
68.67809	1.2
69.03426	2.1
69.07076	11.1
70.01366	4.2
70.06606	1.4
71.04983	5.1
73.06551	4.2
74.06631	1.2
79.05497	13.7
81.07064	31.8
83.04990	6.3
83.08602	5.1
84.76372	1.3
85.02924	1.6
85.06527	3.3
88.07608	2.2
88.44836	1.1
90.49442	1.0
91.05487	15.3
93.06480	2.2
93.07049	36.3
95.05009	5.6
95.08614	30.1
96.30889	1.2
97.06532	6.8
97.10174	2.8
98.21465	1.1
99.08092	2.8
103.05458	1.8
105.07037	37.5
107.04948	2.9
107.07883	1.9
107.08601	34.4
109.06521	9.0
109.10162	21.2
111.08100	8.6
111.08743	1.5
115.05485	1.9
117.07040	9.6
119.08590	25.5
121.06499	5.8
121.10148	41.1
123.08081	7.4
123.11698	5.1
125.09621	6.6
128.06221	1.3
129.07018	7.7
130.07785	3.1
131.08586	22.3
133.10135	25.6
135.08066	7.8
135.11705	15.4
137.09636	2.7
137.13274	1.6
141.06984	5.1
143.08559	3.1
144.09282	1.7
145.06487	2.5
145.10130	31.6
147.02492	1.2
147.08037	1.5
147.11694	14.9
148.08795	1.2
149.09610	3.7
149.13248	3.8
151.11160	1.4
157.06534	1.8
157.10139	3.7
158.07256	2.2
159.08040	3.5
159.11702	33.3
160.12277	1.2
161.09631	2.3
161.13268	18.1
163.07623	1.2
163.11180	14.9
163.14828	2.4
169.16989	1.2
171.11728	1.2
173.06038	1.5
173.09578	1.3
173.13278	10.8
174.06714	7.1
175.11179	1.4
175.14905	6.9
177.09145	1.2
177.12740	5.9
177.16428	3.5
186.06726	2.0
189.09134	9.4
191.07123	1.6
191.14337	2.4
191.17972	4.7
201.09134	5.2
201.12787	2.8
201.16388	30.7
202.16716	1.7
203.14314	13.8
219.06581	2.3
219.10294	8.6
219.13844	7.5
219.17445	100.0
219.21355	14.0
220.17720	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1341
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
54.41375	0.6
55.01868	1.3
55.05507	1.1
56.96566	10.2
57.03436	1.5
57.07099	1.5
57.14981	0.7
60.04528	100.0
61.02912	1.2
67.05507	2.8
69.03432	1.5
69.07066	2.1
70.06601	1.4
70.98106	0.8
71.01358	2.1
71.04989	0.7
71.50619	1.1
72.08150	1.7
73.75044	0.6
74.06081	0.9
75.04485	1.7
79.05498	1.8
79.96046	0.7
81.03426	1.3
81.07066	1.0
81.60368	0.7
83.04980	0.7
84.04508	1.0
84.08154	1.5
84.96052	1.2
85.02910	1.1
85.06552	1.3
86.09709	74.6
87.04499	1.7
87.05582	3.0
90.05540	1.7
91.05466	1.6
93.07069	1.2
95.01305	0.9
95.04989	1.7
97.02898	2.3
98.06079	1.2
98.97588	32.7
103.03938	1.6
105.07035	1.0
107.04953	1.2
109.06551	0.7
110.97578	4.4
112.99084	0.7
116.98630	10.0
119.08612	1.2
121.10152	1.8
123.04427	0.7
127.03938	0.8
128.10724	3.4
128.98607	4.4
131.00146	0.7
131.03395	0.8
131.04935	0.7
132.10213	47.0
133.10150	1.8
134.99672	2.8
135.08064	0.9
136.93106	1.7
137.02354	2.3
140.10713	0.8
140.98564	1.2
143.00185	2.3
145.02907	0.7
145.06499	0.9
146.06027	1.5
146.99666	1.6
147.04416	1.0
147.11609	0.9
153.04893	1.2
154.94168	2.4
158.11794	2.6
158.99693	5.1
159.02879	3.4
161.01259	1.3
161.04616	0.9
161.13260	0.7
162.05371	0.8
163.03944	1.1
170.99599	0.7
172.95233	2.1
173.12869	28.2
175.08685	0.8
177.00706	4.4
177.05458	0.8
183.06433	0.9
201.12399	4.2
203.14316	9.8
205.91217	0.7
213.07861	0.7
219.01636	4.0
219.06497	1.4
219.11444	1.3
219.13379	7.1
219.17453	29.7
237.02849	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Bitalin A
Peak:m/z	Relative Intensity
55.01852	1.9
55.05497	2.9
55.56012	1.1
57.03423	2.3
67.05494	4.5
69.07063	1.9
69.43497	5.9
69.43909	2.3
73.43646	1.1
76.79467	1.1
79.05473	3.7
81.03418	1.5
81.07035	3.6
82.86079	1.0
83.05003	1.6
85.02847	1.1
91.05489	16.8
93.07053	6.0
95.04935	1.7
95.08579	3.6
98.97559	1.3
103.05469	3.2
105.07042	6.8
107.04945	2.1
107.08588	3.9
109.06530	1.3
109.10172	1.4
111.04427	1.4
113.28063	1.0
115.05457	12.8
116.06226	3.9
117.07028	7.4
119.08588	6.5
121.06565	1.4
121.10163	5.4
128.06224	11.9
129.07010	43.1
130.07776	3.7
131.04945	9.0
131.07596	2.2
131.08574	42.6
133.10155	5.5
135.04410	1.2
135.08032	3.2
135.11719	1.7
137.05966	3.4
141.07004	40.1
142.07732	1.1
143.04948	1.3
143.08551	2.7
144.05717	8.3
144.09244	1.4
145.06487	10.8
145.10104	7.0
146.07288	5.4
147.07997	2.3
147.11684	2.1
149.05975	1.3
155.06018	2.5
156.05663	1.2
157.06505	22.1
157.07733	1.6
157.10074	1.3
158.07298	23.2
159.04401	4.0
159.08066	28.3
159.11707	8.7
160.05164	6.0
161.05919	2.0
161.09653	5.4
161.13249	3.3
163.07539	2.8
163.11185	1.5
169.06462	16.3
169.07661	1.6
170.07259	7.1
171.07977	1.8
173.06006	5.7
173.09602	3.5
173.13264	4.9
174.06781	77.3
175.07529	13.9
177.09000	1.2
177.12814	1.4
183.08018	1.4
183.11676	1.3
186.06795	16.1
187.07538	3.6
188.08311	4.8
189.09119	100.0
190.09497	1.7
191.03325	1.4
191.07011	2.0
191.10648	8.6
191.14291	1.5
201.09111	44.3
201.12767	2.6
201.16356	2.4
203.14308	11.0
219.06560	2.9
219.10164	93.3
219.13773	8.9
219.17442	44.2
220.10477	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	Bitalin A
Peak:m/z	Relative Intensity
53.03938	1.4
55.01864	2.4
55.05505	6.4
57.03428	2.9
65.03956	1.1
66.19891	1.0
67.05236	0.9
67.05511	9.7
69.03429	2.2
69.07061	5.1
71.04989	3.7
77.03936	1.3
79.05504	11.3
81.07063	15.5
83.04977	3.4
83.08625	1.4
85.02898	2.1
85.06541	2.0
91.05486	26.4
93.07049	15.8
95.04957	4.7
95.08617	11.6
97.06520	4.5
98.97593	1.2
99.50835	1.1
103.05474	4.9
105.07040	24.2
107.04948	3.4
107.08604	16.2
109.06517	4.2
109.10154	8.2
111.08073	2.8
115.05450	13.2
116.06229	4.1
117.07024	17.2
118.07870	1.0
119.08591	15.2
120.08112	1.7
121.06531	3.3
121.10149	11.2
123.04436	1.5
123.08048	3.1
123.11684	1.7
125.09625	1.5
128.06239	11.9
129.07016	49.4
130.07831	4.8
131.04936	10.7
131.08575	60.4
132.05666	2.3
133.06490	2.4
133.10144	22.6
135.08066	9.8
135.11670	3.9
137.06001	4.5
137.09560	1.1
141.07001	41.2
142.07779	1.9
143.04926	3.2
143.08569	4.9
144.05690	7.0
144.09319	1.9
145.06506	10.1
145.10130	18.7
146.07278	5.9
147.08104	2.0
147.11742	5.0
148.05171	1.5
149.06012	1.5
149.09637	3.5
149.13260	1.8
151.07602	1.5
153.07089	1.7
155.04826	1.4
155.05991	1.7
155.08575	2.9
157.06497	23.3
157.07753	1.3
157.10173	2.9
158.07288	25.6
158.10954	1.5
159.04492	3.0
159.08075	29.5
159.11694	29.4
159.13031	1.3
160.05220	6.7
161.05959	2.7
161.09631	6.7
161.13266	8.1
162.06792	1.4
163.03897	3.1
163.07515	5.4
163.11208	4.2
168.05753	1.5
169.03539	1.2
169.06470	15.1
169.07663	1.6
170.07268	8.2
171.04326	1.5
171.08022	1.8
173.06027	6.5
173.09628	2.7
173.13268	10.5
174.06779	81.1
175.07539	15.1
175.11148	2.2
175.14850	2.5
176.14398	1.4
177.09126	1.4
177.12787	2.9
183.11734	2.8
186.06776	21.1
187.07498	1.5
187.66588	1.1
188.08316	4.7
189.09119	100.0
190.09451	1.5
191.03371	1.3
191.07047	2.9
191.10733	7.1
191.14348	3.9
201.09113	45.6
201.12817	8.1
201.16409	10.5
203.14346	11.8
219.06586	6.1
219.10185	98.8
219.13708	24.2
219.17427	57.3
219.19641	1.5
220.10561	2.2
220.16858	5.6
225.95992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
54.25609	0.9
55.01878	2.1
55.05517	2.1
57.03426	1.2
67.05500	1.9
69.07066	1.8
69.24010	1.0
69.41080	6.2
69.41503	2.6
71.04982	1.6
79.05493	2.6
81.03455	1.1
81.07047	5.8
85.24997	1.0
91.05486	15.2
93.07037	4.6
93.42843	1.0
94.69041	1.0
95.08593	3.5
103.05463	3.9
105.07042	8.4
107.08599	3.6
109.06508	2.8
109.10181	1.7
115.05444	11.6
116.06242	4.0
117.07046	6.3
119.08580	6.0
121.06550	1.4
121.10113	3.7
123.08064	2.1
128.06194	8.6
129.07018	42.8
130.01756	1.1
130.07790	3.5
131.04924	8.7
131.08572	41.5
132.08948	1.3
133.10150	7.0
135.08026	1.8
135.11653	1.2
137.05983	4.7
141.05992	2.0
141.07004	34.1
143.04927	3.2
143.08621	2.9
143.55840	1.1
144.05690	6.6
145.06482	9.7
145.10162	5.3
146.07248	4.6
147.08063	1.4
147.11710	1.7
148.05197	1.4
149.09590	1.2
155.06094	2.4
156.05672	1.7
157.06493	23.6
157.10167	1.9
158.07288	22.2
159.04411	5.8
159.08070	29.3
159.11723	8.6
160.05190	8.4
161.05974	1.3
161.09622	4.0
163.07578	1.4
168.05751	1.2
169.06479	15.8
169.07643	1.1
170.07253	7.6
171.04399	1.4
171.08040	1.8
173.06007	5.3
173.09552	3.1
173.13269	2.9
174.06778	81.5
175.07538	13.3
177.09108	1.4
177.12683	1.3
186.06761	19.5
187.07489	2.1
188.08331	4.2
189.09120	100.0
190.09398	3.0
191.07056	1.6
191.10640	5.8
201.07289	2.6
201.09120	41.2
201.12776	1.8
201.16415	4.0
203.14343	6.3
211.34879	1.1
219.10175	93.7
219.13774	7.4
219.17427	21.4
220.10509	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1018
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.06300	1.3
69.37146	10.6
75.07479	1.3
91.05499	11.6
98.21541	2.4
103.05454	3.1
105.07027	1.9
115.05445	12.2
116.06248	4.4
117.07030	5.0
128.06245	10.1
129.07011	46.2
130.07790	2.9
131.04930	11.3
131.08571	39.8
133.10121	1.8
137.05983	6.4
141.06999	43.9
143.04863	2.0
143.08577	2.9
144.05730	6.1
145.06490	9.8
145.07457	1.8
145.10361	1.2
146.07239	4.8
153.06955	1.3
153.40781	1.1
155.06105	1.5
157.06508	24.0
158.07286	25.4
159.04434	5.6
159.08069	27.4
160.05202	6.1
160.08614	1.5
161.09633	5.1
161.40369	1.3
163.07558	2.6
169.06480	15.7
169.07684	2.3
170.07285	8.9
173.06030	5.1
174.06786	82.4
175.07538	12.4
185.05980	1.7
186.06781	19.2
188.08365	4.4
189.09122	100.0
190.09532	1.7
191.10687	5.7
201.09131	43.6
219.10178	91.3
219.17433	3.9
220.10518	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	219.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.4
61.02652	1.5
61.02930	22.0
65.55943	1.2
69.03455	1.3
69.84894	2.4
69.85296	3.5
71.00971	2.4
71.01357	45.3
75.04484	59.7
83.04928	1.0
85.02923	1.5
87.04466	20.7
89.02394	9.2
90.05550	3.5
93.07065	1.0
96.69979	1.1
97.02833	1.0
98.97564	3.8
101.06020	1.5
103.03946	70.9
105.07023	1.7
119.08574	1.8
127.25799	1.2
131.03413	12.1
142.55231	1.2
145.06535	1.0
159.02899	100.0
160.03163	1.0
161.04448	1.7
161.68198	1.0
187.02396	7.6
202.10739	1.9
203.14337	5.6
219.04881	7.3
219.06775	1.0
219.17450	19.1
220.99275	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
57.03424	1.2
59.50574	0.9
69.07061	1.5
69.16616	8.7
69.17012	1.2
79.05483	1.7
81.07050	2.1
91.05485	13.9
93.07047	1.0
95.08617	1.1
98.21542	1.4
103.05457	3.2
105.07025	3.6
107.04979	1.0
107.08606	1.0
109.06443	0.9
115.05453	9.3
116.06247	4.5
117.07060	5.1
119.08601	1.9
121.10191	1.7
128.06219	10.5
129.07019	45.9
130.07774	3.3
131.04935	9.9
131.08582	43.4
132.08858	0.9
133.10127	2.5
135.08058	1.4
137.05983	4.7
141.07005	36.3
143.04953	2.1
143.08537	2.1
144.05716	7.1
145.06508	9.2
145.10170	1.7
146.07268	5.7
148.05156	1.5
151.07567	1.1
155.06018	2.0
155.08534	1.0
157.06514	22.8
158.07281	24.5
159.04436	3.6
159.08070	28.1
159.11691	3.1
160.05228	6.9
161.05959	1.9
161.09654	4.4
163.07552	2.4
168.05722	1.0
169.06494	17.6
169.07794	1.8
170.07277	10.2
171.08054	1.5
173.05972	6.4
173.09647	1.8
174.06779	88.9
175.07576	11.7
177.09117	0.9
184.15656	0.9
185.06003	1.1
186.06784	22.5
187.07523	1.9
188.08333	3.8
189.09123	100.0
190.09479	2.7
191.10680	8.2
201.09126	44.7
202.09370	1.2
203.14407	2.1
204.07849	2.1
206.61041	0.9
219.10179	95.3
219.13718	3.2
219.17398	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.0
55.05507	2.0
56.96560	2.1
59.04986	2.5
61.02930	27.5
67.05504	2.7
70.24002	4.2
71.01358	42.2
72.04516	2.4
75.04485	66.0
85.02901	2.1
85.06564	1.7
87.04469	19.1
89.02401	12.0
90.05553	11.3
91.05466	1.5
91.64249	1.0
95.05005	1.9
98.02405	1.9
98.97610	5.5
103.03949	72.1
107.08593	1.3
116.03476	1.6
116.98635	2.2
119.08582	2.4
121.10163	1.9
124.07592	1.5
131.03412	14.6
133.10159	3.0
135.07915	1.5
137.65762	1.3
142.08653	1.5
146.05997	3.3
159.02904	100.0
184.09760	2.1
187.02414	13.0
202.10750	3.7
203.14331	10.7
206.51489	1.2
219.03062	2.4
219.04907	9.0
219.17439	36.2
220.11877	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54180	1.0
51.04665	0.9
55.01875	5.6
55.05520	1.6
56.86102	1.0
56.96557	1.6
57.07047	1.1
59.05000	1.6
59.48318	1.0
61.02931	25.7
67.05495	1.3
69.07057	2.1
69.85014	6.1
71.01360	43.6
72.04521	2.1
75.04485	62.8
83.48447	1.0
85.02917	1.6
87.04475	22.3
89.02398	10.0
90.05563	6.5
93.07043	1.4
95.04994	1.1
98.02403	1.7
98.97581	6.1
101.05995	2.1
103.03947	74.6
105.07033	1.5
116.98652	1.5
121.10116	1.6
124.07616	1.6
124.85817	1.0
131.03409	14.5
131.28969	1.1
134.99696	1.1
159.02898	100.0
166.13423	1.0
173.05948	2.3
178.12488	1.4
184.09644	1.8
187.02383	11.0
203.14313	9.9
219.03107	1.5
219.04865	6.9
219.06854	1.4
219.15358	0.9
219.17432	27.5
220.11810	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	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18605	24.1
54.01972	28.2
59.61486	22.3
70.15299	52.2
70.15680	100.0
98.97586	58.1
158.99744	24.4
164.47321	24.4
215.59572	27.0
219.02602	69.3
234.87834	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1952
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
50.32394	1.5
55.05269	1.9
55.05513	29.5
57.33409	1.3
59.04990	1.9
65.03932	1.9
67.05507	15.9
69.03413	2.0
69.07072	19.5
69.15465	13.9
72.22554	1.6
79.05476	6.2
81.04565	1.4
81.07064	25.1
83.04980	28.0
83.08606	7.0
85.06544	2.4
87.04456	3.3
89.02395	2.4
89.06026	3.9
91.05489	12.4
93.07053	20.1
95.08610	54.9
95.42595	1.3
96.08894	1.8
97.10164	2.5
98.77981	1.2
99.04456	1.8
101.06030	10.5
105.07038	36.2
107.08598	34.0
108.05570	2.6
109.10161	41.4
110.07224	1.7
111.04446	34.5
111.11755	2.1
113.05990	4.6
119.08588	34.6
119.10999	1.4
121.09333	2.1
121.10147	30.2
123.11707	18.3
127.07542	5.1
129.05504	8.4
131.08582	1.5
133.10126	21.5
134.07164	3.0
135.06660	2.4
135.11694	6.7
136.07504	1.9
136.08693	1.5
137.06024	1.8
147.11699	32.9
149.08195	1.7
149.13260	4.2
155.07028	40.8
161.05901	1.8
161.13271	46.0
173.08121	22.5
175.09789	3.1
175.14812	8.9
176.09396	2.3
177.10138	2.0
189.16315	4.6
199.09700	2.4
217.04950	2.2
217.10477	30.6
217.12219	5.1
217.19528	100.0
218.19958	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	217.1952
Annotation	(+)-Vulgraon B
Peak:m/z	Relative Intensity
53.03947	1.2
54.63234	0.6
55.05512	11.9
57.07070	1.4
59.04990	0.7
60.97899	0.6
61.91764	0.6
65.03909	0.8
67.05508	17.0
68.05019	0.8
69.07074	18.0
71.08634	0.7
73.02909	0.6
76.93903	0.6
79.05497	9.1
81.04549	0.6
81.07059	28.3
83.04976	8.2
83.08617	5.8
85.06531	1.1
87.04473	1.3
89.02386	1.6
89.06024	1.6
91.05483	9.5
93.06486	1.0
93.07052	17.7
93.07635	1.2
95.04935	0.9
95.08611	60.9
97.10187	1.5
98.20644	1.4
101.06013	4.4
105.07037	38.4
107.08598	31.0
109.10159	42.8
110.10520	0.8
111.04440	11.8
111.11667	1.0
113.06010	2.1
117.07039	1.4
119.08585	32.5
121.10148	31.4
123.11720	13.9
127.07583	2.1
129.05495	1.6
129.06969	0.7
131.08578	1.3
133.10135	18.4
135.06682	1.2
135.11687	8.0
136.07422	0.7
137.13260	0.8
145.10138	1.4
147.11696	30.9
148.12512	0.9
149.08224	0.9
149.13272	3.1
155.07037	16.9
157.10143	1.0
159.11700	2.5
161.13263	43.4
162.13863	0.6
173.08105	8.7
173.13199	1.0
175.09810	0.9
175.14845	8.4
176.09360	0.8
189.16417	4.1
199.09569	0.8
199.14665	0.8
217.05057	0.8
217.10533	9.4
217.12373	1.9
217.19522	100.0
218.19841	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	215.1643
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
55.01878	3.4
55.05510	28.7
57.03432	4.6
57.07065	4.9
67.05502	32.4
69.03410	3.3
69.07069	27.8
69.62502	18.5
70.08472	3.4
71.04987	10.6
74.09712	7.9
79.05506	24.1
79.64321	3.9
81.07056	71.7
83.04968	6.6
83.08624	15.1
83.23830	3.1
85.06533	12.4
90.94818	4.8
91.05484	27.0
93.07051	29.2
95.08611	100.0
97.06554	20.1
97.10180	6.5
98.20773	7.7
98.98449	5.0
99.08096	6.0
105.07027	39.4
107.08584	19.8
109.06506	6.7
109.10152	8.2
111.08009	3.5
117.07005	14.6
119.08582	55.4
121.06499	4.2
121.10135	11.8
123.08069	6.7
126.09142	5.6
129.07013	6.1
131.08588	29.6
132.95822	19.7
133.10100	31.7
135.11708	16.4
137.13229	13.7
141.07042	6.7
143.08595	8.1
145.10109	31.6
147.11699	3.8
150.96895	15.4
153.26959	3.3
155.08566	5.7
157.10135	9.3
158.07288	5.2
159.08058	18.7
159.11685	30.4
161.13275	53.7
169.10020	7.0
171.11659	6.6
173.09619	17.7
173.13329	19.2
179.14211	15.6
182.10968	4.2
187.11237	8.6
187.14836	10.0
191.97182	12.6
197.09679	4.3
197.13327	9.0
197.15312	3.2
198.11237	6.5
215.03378	4.2
215.07083	12.3
215.10815	17.4
215.14337	46.3
215.17921	43.2
216.12340	6.8
219.03387	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	215.1392
Annotation	(4S,5R)-dethiobiotin
Peak:m/z	Relative Intensity
55.01857	1.1
55.05506	3.1
56.05009	1.3
56.96540	1.3
57.03425	0.6
58.06584	0.6
67.05514	7.9
68.05007	0.6
68.99757	2.1
69.03413	1.0
69.07078	8.0
70.02911	0.4
70.06590	3.2
71.04970	1.1
71.13869	0.8
72.93732	0.5
77.51828	0.5
79.05494	2.4
81.03410	0.7
81.07046	3.5
81.97877	0.4
83.04981	0.7
84.08121	1.4
86.09673	0.5
91.05486	3.4
93.07056	3.9
94.06559	0.8
95.04959	0.9
95.08607	8.6
96.04456	1.2
96.29745	0.5
97.06516	0.5
98.09713	0.7
98.97586	5.2
99.05583	5.1
105.06998	1.0
107.04965	3.4
107.08570	0.9
108.08077	0.9
109.09486	0.7
109.10166	9.1
109.77326	0.5
110.09708	2.3
110.97573	0.6
111.05573	3.7
111.11729	0.9
115.05459	0.9
116.98597	1.4
117.07009	1.3
119.04919	0.6
119.08565	2.6
126.09161	0.6
126.12783	1.7
128.06229	0.5
128.98567	0.6
129.07010	0.6
131.04912	1.0
131.08546	1.9
132.95804	2.1
133.10130	0.8
134.09644	1.0
136.11238	5.8
137.07079	1.1
137.09550	2.6
141.01207	0.4
141.06996	4.3
143.08495	0.9
144.05722	1.2
145.06451	1.5
145.10124	1.1
145.75520	0.5
147.04353	1.5
147.08035	1.1
150.96916	2.3
151.11217	0.6
151.12309	1.7
152.10690	0.6
154.12282	4.1
157.10168	0.7
158.99632	2.2
159.08009	1.4
159.11693	0.8
169.06483	4.0
169.10060	0.9
172.08839	0.6
173.06012	0.8
173.09641	1.0
177.00746	1.0
179.11809	26.5
180.12103	0.8
187.07512	0.8
187.11189	0.7
191.97137	0.6
197.06018	5.7
197.12865	100.0
198.13156	1.9
200.04671	0.6
215.07050	40.2
215.09099	1.9
215.13927	8.5
215.18108	0.5
216.07405	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.185
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03936	9.3
55.01873	10.0
55.05516	39.8
56.96582	3.2
57.03440	9.3
57.07075	14.0
59.05001	11.1
65.03941	3.5
67.05508	40.8
68.05817	4.3
68.99805	3.2
69.03433	16.7
69.07071	45.1
70.06604	16.7
71.05001	19.2
71.50955	4.6
71.51331	4.8
72.08135	7.7
75.12804	3.5
79.05506	37.0
79.66534	3.6
81.03428	15.3
81.07063	70.2
83.04992	5.6
83.08616	37.4
85.02939	8.4
85.06550	24.7
86.09706	5.7
91.05492	20.1
93.07048	55.9
95.04967	15.9
95.08612	100.0
97.02887	9.3
97.06532	14.7
97.10186	20.3
98.06137	3.9
98.97579	15.4
99.04443	5.3
99.08097	11.4
105.07029	16.4
107.04969	15.3
107.08603	67.7
109.02883	11.2
109.06548	5.7
109.10168	42.3
111.04413	5.8
111.08050	21.3
111.11736	4.7
113.09647	9.4
116.98640	4.3
117.07008	5.3
119.05017	3.7
119.08601	9.9
120.39978	3.2
121.06525	7.3
121.10150	93.7
123.04332	3.9
123.08051	6.4
123.11691	17.6
125.06042	4.3
125.09608	6.7
127.03918	22.4
129.07010	7.6
130.96292	4.1
131.08548	9.5
135.08072	7.0
135.11691	37.6
137.09642	7.2
137.13251	8.7
139.03957	3.9
139.07582	5.4
139.11191	11.7
141.06879	4.1
142.07756	8.2
143.08560	9.7
149.09669	7.9
149.13289	13.3
151.14847	5.3
153.01848	13.7
153.09120	5.3
153.12781	6.0
154.06219	16.4
155.08551	3.7
156.09373	5.0
157.06361	3.3
157.10176	10.1
158.99648	5.8
163.07530	3.9
165.06938	4.5
165.16467	6.4
167.07124	20.9
167.08365	4.3
167.09151	3.6
167.10643	7.9
169.08623	7.6
171.11766	7.3
177.00745	5.4
177.09113	6.5
177.12817	6.2
177.16382	62.2
185.07103	26.8
185.09698	6.0
185.13275	3.7
195.08434	5.6
195.10280	6.3
195.13882	4.5
195.17470	14.9
213.06654	11.4
213.09244	6.9
213.11081	9.0
213.12753	15.4
213.16341	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	213.1487
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
51.43240	2.3
53.03940	7.5
55.01857	7.5
55.05516	40.3
56.96542	2.7
57.03412	5.1
57.07057	4.5
60.42509	2.5
63.97195	2.4
65.32598	2.4
67.05511	23.4
68.99772	4.1
69.03432	12.4
69.07076	34.3
69.32162	22.7
70.06582	2.6
71.04999	37.3
73.02856	2.6
79.05135	2.3
79.05504	21.9
81.03407	7.4
81.06600	2.9
81.07064	48.6
83.04991	3.6
83.08624	23.9
85.02900	5.1
85.06553	100.0
87.04462	6.8
88.07624	2.5
91.05498	12.3
93.07049	40.9
95.04951	7.6
95.08614	25.7
97.02850	3.9
97.05927	3.8
97.06541	67.1
97.10182	28.3
99.04424	3.3
99.08070	3.3
105.07039	12.8
107.08598	33.0
109.02930	3.1
109.06512	3.4
109.10173	14.2
110.03653	2.7
111.08060	6.8
111.11698	2.5
113.52205	2.5
117.06985	3.6
119.08560	10.3
121.09346	4.5
121.10159	62.3
123.11678	3.5
125.05953	3.3
125.09634	21.6
127.03947	12.6
128.06223	5.2
129.06993	8.1
131.08591	6.2
133.10204	5.7
135.11661	8.1
141.06964	3.8
142.07764	7.3
143.08536	11.3
147.11731	3.4
149.13271	26.0
153.01819	5.3
154.06262	3.2
154.96951	2.5
156.09305	4.2
157.06458	2.7
157.10130	18.3
159.11696	8.4
165.12703	4.5
167.14337	8.9
170.10860	2.8
171.08098	3.8
171.11748	13.5
177.12758	23.6
177.16335	3.1
185.09724	7.8
185.13278	4.6
195.11879	5.3
195.13808	32.2
213.05521	4.9
213.09222	15.9
213.12720	16.6
213.14828	31.6
213.16690	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03941	1.9
55.05515	14.4
57.03425	1.7
57.07062	1.9
57.80389	1.2
60.11111	1.3
65.03922	1.8
67.05516	10.2
69.03429	3.0
69.06728	2.1
69.07076	29.8
71.04992	12.2
71.06579	2.7
79.05499	15.4
81.07059	33.4
83.04984	2.6
83.08625	8.6
85.06551	100.0
89.88924	1.2
91.05469	6.1
93.06490	2.9
93.07053	39.7
93.07639	2.4
95.04984	2.3
95.08609	20.5
97.05920	2.1
97.06538	30.6
97.10153	5.1
98.97588	2.2
99.08084	5.5
105.07039	8.6
107.08617	26.2
109.06506	1.6
109.10165	9.9
111.08115	7.4
119.08585	7.4
121.06558	1.5
121.10156	66.9
122.53729	1.5
123.08032	1.6
123.11715	3.6
125.09609	4.2
131.08592	2.0
133.10095	3.2
135.07974	2.0
135.11726	7.4
137.09602	3.7
137.13219	3.3
139.11165	5.0
149.09708	1.5
149.13272	27.7
157.10104	2.5
159.11732	7.2
161.39095	1.4
165.12756	1.7
167.07098	2.0
167.14334	6.3
171.11746	2.7
173.62274	1.4
176.70512	1.4
177.12781	22.9
177.16359	9.1
195.13838	19.5
195.17523	1.6
204.04657	1.3
213.12830	3.0
213.14844	5.6
213.16588	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	213.1488
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03946	2.9
53.40143	1.3
55.01859	3.9
55.05276	2.3
55.05516	25.2
57.03423	4.7
57.07077	9.5
58.73466	1.5
59.04982	1.5
62.22889	1.3
67.05515	23.1
69.03435	7.8
69.07075	69.5
70.06582	3.1
71.05003	17.6
71.08639	2.5
71.50932	2.2
72.08157	1.6
73.06562	2.0
79.05495	26.0
81.03416	5.0
81.07063	60.0
82.07397	1.4
83.04966	5.9
83.08620	18.0
85.02900	2.5
85.06550	100.0
87.04467	4.7
88.07614	4.9
91.05489	14.1
93.07050	48.0
93.07638	2.5
94.80595	1.2
95.04951	4.3
95.08617	42.2
97.06537	26.5
97.10173	9.9
98.97578	2.5
99.04473	1.5
99.08094	9.2
101.02427	1.6
103.05419	1.9
105.07046	14.6
107.04918	3.5
107.08604	39.3
109.06521	4.0
109.10169	21.3
110.07867	1.3
111.08089	9.9
111.11745	9.1
113.06001	2.1
113.09635	2.7
115.05438	2.1
116.52287	1.7
117.07011	3.8
119.08582	13.7
121.06519	1.6
121.10155	75.9
123.08036	2.4
123.11711	14.0
125.02406	1.3
125.05962	1.4
125.09617	9.0
127.03909	4.3
128.06236	3.4
129.07054	7.8
131.08546	4.3
133.10126	6.0
135.08051	2.1
135.11711	16.2
137.09633	2.7
137.13261	8.5
139.05431	3.1
139.07623	1.4
139.11189	9.7
141.07018	8.5
142.07802	8.2
143.08620	7.7
145.06396	1.3
145.10092	2.6
147.11652	1.6
149.12076	1.4
149.13275	26.0
151.14793	2.4
153.01801	5.0
153.09079	1.5
153.12700	2.8
155.08554	3.5
156.09343	3.2
157.06435	2.8
157.10136	13.1
159.11705	8.9
165.07002	3.2
167.07079	1.9
167.08553	2.9
167.14317	4.5
169.06494	2.1
169.10077	2.3
170.10895	2.9
171.08012	4.2
171.11702	13.2
177.12770	18.3
177.16399	15.9
180.09343	1.9
183.08012	2.2
183.11702	2.4
185.07242	1.7
185.09766	8.0
185.13284	4.3
195.06506	3.1
195.11758	3.2
195.13812	15.0
195.17453	4.2
198.10391	3.1
213.03712	1.9
213.05438	13.7
213.09187	11.9
213.11145	2.1
213.12959	15.2
213.14745	3.5
213.16394	23.3
213.18355	2.8
217.46143	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03932	4.7
55.01876	21.4
55.05516	86.4
57.03437	4.1
57.07073	3.2
59.04990	2.3
63.30252	1.6
66.33590	1.4
67.05515	30.9
69.03436	13.0
69.06744	1.7
69.07076	26.9
70.06583	2.5
70.90807	3.7
70.91150	1.9
71.04999	77.3
79.05088	1.8
79.05505	31.6
81.03416	4.1
81.06595	2.5
81.07063	44.6
83.04993	9.1
83.08625	53.0
85.02908	9.2
85.06564	13.2
87.04473	13.1
88.07607	3.7
91.05492	14.7
93.07057	28.7
95.04960	3.7
95.08619	23.1
97.06541	98.9
97.10177	76.3
98.97569	4.7
99.04424	2.5
99.08100	7.6
101.06023	1.8
101.09628	2.3
104.50631	1.5
105.07050	10.4
107.04953	3.4
107.08601	35.1
109.02843	2.1
109.06485	4.4
109.09464	2.4
109.10159	22.9
111.04405	2.0
111.08077	10.2
113.05953	1.9
116.98638	1.8
117.07001	6.1
119.04940	2.1
119.08556	5.3
121.06476	4.8
121.10151	19.6
123.08024	2.6
123.11671	3.8
125.02409	1.9
125.05989	3.9
125.08799	2.3
125.09644	44.0
127.03876	5.6
128.06184	3.1
129.06973	4.1
130.04260	1.7
131.08525	7.0
133.10092	7.2
135.08020	7.0
135.11696	12.4
139.11143	2.1
141.06891	2.2
142.07764	4.9
143.08510	5.4
147.11650	2.4
149.09575	3.9
149.13246	7.8
150.34001	1.9
151.11145	1.8
153.01849	10.9
153.06956	1.6
153.09100	2.2
155.08560	2.6
156.09322	2.4
157.10066	4.0
159.11638	5.0
167.06998	5.1
167.08720	1.5
169.10040	2.6
171.08104	1.9
171.10201	2.0
171.11691	7.3
177.08992	2.2
177.12706	5.5
177.16405	18.3
184.07158	1.6
185.09779	3.8
185.13266	1.8
189.11241	9.6
195.06516	2.4
195.11964	2.7
195.13828	41.2
195.17439	2.4
213.09169	3.9
213.12724	6.5
213.14807	100.0
213.16330	6.1
214.08681	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	213.1123
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
50.56605	0.5
53.03948	1.8
55.01863	1.5
55.05033	0.5
55.05502	1.5
56.45613	0.6
57.03444	0.8
57.07083	0.6
60.66125	0.6
63.02371	0.5
65.03927	0.8
67.05505	2.7
69.03416	1.8
69.05580	0.5
69.07073	1.5
69.88155	0.4
70.06584	2.1
71.04990	2.0
71.51084	0.6
78.04707	2.3
79.05495	12.1
81.03399	1.2
81.07055	4.8
83.04957	0.7
85.02904	0.8
85.06535	1.7
87.04461	0.8
90.07310	0.5
91.05488	8.1
93.07050	6.2
95.04981	3.0
95.08624	3.0
97.06554	1.3
98.97585	2.1
99.04466	1.5
103.05475	9.5
105.07038	9.3
106.04185	2.0
107.04965	59.9
107.08601	9.2
108.05324	0.6
109.02869	1.2
109.06523	2.2
109.10184	1.1
111.08081	0.8
115.05463	3.7
116.98602	1.2
117.06991	2.8
119.04943	2.3
119.08571	1.1
120.05748	1.7
121.06483	1.9
121.10150	15.6
122.03613	1.2
123.04440	7.3
123.08074	6.4
124.05211	3.2
125.06026	1.5
125.09668	1.6
127.03927	1.8
128.04327	0.6
128.06279	0.7
129.07030	0.9
131.04947	2.5
131.08575	1.8
133.06509	1.0
133.07626	0.7
135.08064	17.9
135.11693	0.8
137.05991	2.1
139.03990	0.8
141.07037	0.7
143.08559	1.3
145.07610	1.2
147.04401	1.0
149.05977	1.3
149.09641	11.5
149.13258	0.8
151.03964	1.3
152.04695	2.2
153.01842	1.9
153.05449	0.7
153.07037	0.5
153.09166	0.9
154.06245	2.6
157.10144	1.2
158.99693	0.8
159.08026	0.6
163.07562	25.6
165.05531	0.8
165.06944	0.5
167.07056	100.0
167.10718	3.4
168.07356	1.0
169.08618	4.2
170.10913	0.6
171.08066	0.9
171.11649	0.7
177.00694	0.5
177.09123	14.2
177.10670	0.7
177.12981	0.6
180.07837	3.4
181.08638	0.6
185.09782	0.8
185.13173	0.7
195.06541	0.7
195.08563	0.8
195.10181	21.3
195.13707	0.7
203.29384	0.6
213.05394	0.7
213.09181	1.6
213.11139	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	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.90302	0.5
53.03924	1.3
55.01862	1.1
55.05513	1.1
56.05058	0.5
56.96560	0.8
62.76580	0.4
67.05498	0.8
69.03420	1.2
69.07063	0.6
69.64271	1.8
69.64689	1.0
70.06607	4.0
71.04974	1.2
72.08144	0.8
78.04729	3.1
79.05495	10.5
79.09920	0.5
79.39947	0.5
81.03442	0.8
81.07052	1.7
83.04984	0.6
86.09701	0.7
88.07596	0.7
91.05483	5.4
93.07047	2.4
95.04982	2.5
95.08580	0.7
97.02875	0.7
98.97589	1.5
99.04446	0.9
103.05479	8.4
105.03388	0.7
105.07037	7.3
106.04152	1.3
107.04959	58.3
107.08574	1.7
108.05284	0.7
109.02907	0.8
109.06508	0.8
109.10070	0.7
111.04425	1.1
111.08051	0.6
115.05455	3.9
116.98557	0.6
117.07045	1.2
119.04926	1.8
119.08586	0.6
120.05727	2.3
121.06491	1.4
121.10154	1.1
122.03661	0.8
123.04428	6.8
123.08076	0.6
124.05222	3.1
125.06030	1.4
127.03883	1.1
128.10703	0.7
131.04935	2.9
131.08565	0.5
133.02840	0.6
133.06471	0.7
134.03696	0.7
135.04401	0.7
135.08060	15.6
137.05963	1.8
139.03889	0.7
140.10736	0.6
142.94359	0.5
145.07597	2.0
147.04346	1.0
148.97321	1.0
149.09612	1.2
151.03893	2.1
152.04686	2.2
153.01808	3.0
153.05443	0.6
153.09119	0.6
154.06229	2.3
156.10202	0.6
157.10233	0.9
157.91068	0.5
163.07550	24.7
164.07809	0.5
165.05469	1.0
167.07043	100.0
168.07352	0.8
168.10226	0.6
171.03326	0.8
177.09100	1.2
177.15892	0.5
180.07837	3.1
185.13275	0.6
195.06462	0.8
195.08382	1.0
195.10165	13.7
195.11882	0.7
195.15735	1.5
213.05475	0.7
213.09152	1.5
213.11235	1.8
213.16724	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	213.1124
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03928	2.7
55.01863	3.2
55.05493	2.1
57.03421	1.9
57.11920	1.0
65.03928	1.7
67.05491	3.2
68.99792	2.1
69.03414	4.0
69.07063	1.3
69.58107	1.5
69.58511	4.9
70.06599	6.0
71.04983	2.1
74.73706	1.0
77.03911	1.0
78.04704	0.9
79.05497	9.9
81.03403	4.2
81.07063	4.6
83.04968	3.0
84.08142	0.9
85.02890	3.2
88.07616	1.2
91.05491	40.7
93.06498	1.3
93.07053	20.8
95.04953	4.4
95.08586	3.5
97.02906	2.3
97.06537	2.4
99.04439	2.6
103.05492	2.6
105.07040	34.4
107.04977	5.3
107.08606	42.9
107.22277	1.0
109.02875	2.3
109.06502	4.0
109.10143	2.1
115.05473	2.4
116.06227	2.4
117.07001	3.0
119.04967	9.2
119.08591	100.0
120.08943	1.1
121.06544	4.5
121.10146	22.3
123.04375	2.1
123.08074	7.3
125.05980	2.2
125.09642	1.3
127.03934	14.7
128.98535	1.0
129.07031	4.5
130.96326	2.2
131.07607	1.7
131.08578	35.3
133.06464	3.1
133.07462	0.9
133.10136	7.2
135.08067	7.9
137.05960	1.9
137.09572	3.1
147.08058	29.2
148.97365	2.2
149.05914	1.6
149.07793	1.4
149.09631	27.7
151.03859	1.5
152.06279	1.3
153.01781	3.5
153.05443	2.8
153.09070	2.3
155.70628	1.0
155.73456	1.2
159.08066	7.2
163.07539	1.1
165.05510	1.0
165.06995	2.0
165.09135	28.4
167.03300	1.2
167.05884	1.0
167.07036	6.0
167.08609	2.6
167.10707	11.2
177.09119	24.7
185.09753	1.4
189.97696	1.1
195.06465	2.1
195.08331	1.7
195.10193	25.0
213.03755	1.1
213.06754	3.4
213.09375	3.1
213.11191	51.2
214.11432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01880	11.2
55.05492	3.1
56.96571	55.6
57.03442	34.4
58.01987	1.3
58.99854	1.3
59.04994	2.6
60.90575	1.3
61.02933	67.2
62.03246	1.6
67.23004	1.1
69.03434	18.0
69.98357	1.2
70.06588	12.7
70.98121	11.2
70.99845	1.7
71.04985	2.1
71.95255	5.7
72.08178	1.8
72.96041	2.9
73.02924	41.2
74.03231	2.3
74.97601	2.3
75.01003	1.6
75.04477	2.6
80.00269	1.5
80.44121	1.6
81.01064	2.3
81.03401	4.7
82.99873	2.1
83.00809	6.5
83.01337	1.4
83.04967	2.8
84.08116	2.1
84.96059	7.9
85.02910	39.4
86.03231	2.7
87.04485	2.4
88.99152	2.4
89.00788	5.2
90.01556	3.4
91.03965	1.4
93.01894	1.7
94.02692	2.3
95.00747	3.9
95.01289	1.8
96.01530	2.9
97.00507	2.7
97.02898	22.8
97.96833	1.9
98.01293	5.7
98.03249	2.1
98.21531	2.8
98.97592	100.0
99.00294	1.3
99.04468	8.0
99.97853	1.5
100.02542	1.4
101.00849	17.8
101.02432	1.5
102.00944	3.7
102.02364	2.4
102.38147	1.4
103.00607	2.8
103.02372	2.5
103.03958	2.9
104.01297	5.0
104.02489	1.5
107.01820	2.1
108.02417	1.8
109.02911	4.6
110.01278	18.6
110.07127	2.4
110.96845	1.9
110.97581	26.0
111.53049	2.3
112.07611	2.3
112.61240	1.4
112.99113	2.0
113.00878	6.1
113.02364	5.6
114.02492	1.2
115.00586	1.3
115.02425	3.4
116.01342	1.6
116.07058	2.5
116.98641	26.6
117.02055	2.6
117.02882	2.9
118.01067	2.1
119.01830	55.5
119.51997	2.4
120.02021	2.8
121.01653	3.8
122.01311	1.8
123.00217	1.5
123.02972	1.6
124.00997	1.7
124.95495	10.3
124.99101	4.2
125.01804	4.8
126.02526	3.3
127.00623	1.5
127.02452	2.3
127.03915	13.5
127.54344	1.8
128.02324	54.8
128.52489	2.5
128.98605	20.9
129.02957	2.6
129.04004	1.5
130.01009	2.7
131.00197	2.7
131.01894	19.1
132.01927	1.7
132.03458	3.3
133.01611	5.2
133.03435	4.0
134.99657	2.9
135.03149	6.7
137.01840	3.4
137.02826	15.4
138.00757	3.0
138.03432	3.4
139.01538	3.3
139.53125	2.4
140.02312	3.1
140.98592	8.0
141.01286	2.1
141.03030	2.4
142.96532	8.1
143.00198	6.9
143.01897	13.9
144.00731	2.8
144.02011	3.3
144.03493	5.2
144.98099	2.9
145.01608	3.5
145.03455	9.1
145.05002	2.8
146.02309	2.0
146.03648	1.7
146.99648	12.6
147.01437	3.3
147.03093	2.9
147.05031	1.6
147.53966	1.9
148.01971	1.6
148.03841	1.9
149.02995	1.9
150.01796	2.5
150.05501	1.4
152.02283	2.5
152.07123	2.9
152.98578	2.8
153.01283	3.9
153.03978	3.5
155.01857	10.2
155.02950	1.8
156.98100	3.5
157.01512	1.8
157.03490	4.3
158.03662	1.5
158.99673	12.8
159.03220	3.2
159.06845	3.8
160.02011	2.4
160.97653	2.8
161.01251	5.5
161.02948	11.5
162.01823	7.4
162.03105	2.8
162.04498	3.9
163.02728	3.2
165.00768	2.2
167.01949	1.5
168.01804	7.0
169.02623	3.0
170.96048	3.1
170.99811	10.2
171.01173	2.6
171.03113	1.7
171.04993	1.7
172.97601	2.7
173.01314	2.3
173.02959	14.8
174.01799	3.7
174.03139	2.7
174.04532	2.9
174.99205	8.1
175.02705	3.0
175.04372	1.9
177.00726	7.0
177.02333	5.7
177.07927	2.4
178.03070	2.0
181.04936	1.9
182.01501	1.5
182.03252	3.6
182.99635	5.3
183.02306	6.6
183.05064	4.5
184.97543	5.4
185.03009	10.5
186.03123	3.7
186.99174	2.7
187.02774	2.8
187.04573	1.6
188.53160	1.9
188.97070	5.7
189.00691	15.9
189.02420	3.9
189.07863	3.0
190.98672	3.7
191.02162	2.5
192.02806	2.1
193.00159	4.3
201.00693	6.0
202.98622	6.0
203.03943	7.2
204.04243	2.0
205.00224	2.5
206.98047	2.4
207.01762	3.8
212.85155	1.5
212.97064	1.9
213.00374	2.8
213.05959	3.3
213.07918	6.5
213.12355	2.5
217.00169	5.0
219.01756	7.8
221.05067	3.4
222.05341	2.4
223.04893	1.6
230.98112	5.0
232.99634	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01880	11.2
55.05492	3.1
56.96571	55.6
57.03442	34.4
58.01987	1.3
58.99854	1.3
59.04994	2.6
60.90575	1.3
61.02933	67.2
62.03246	1.6
67.23004	1.1
69.03434	18.0
69.98357	1.2
70.06588	12.7
70.98121	11.2
70.99845	1.7
71.04985	2.1
71.95255	5.7
72.08178	1.8
72.96041	2.9
73.02924	41.2
74.03231	2.3
74.97601	2.3
75.01003	1.6
75.04477	2.6
80.00269	1.5
80.44121	1.6
81.01064	2.3
81.03401	4.7
82.99873	2.1
83.00809	6.5
83.01337	1.4
83.04967	2.8
84.08116	2.1
84.96059	7.9
85.02910	39.4
86.03231	2.7
87.04485	2.4
88.99152	2.4
89.00788	5.2
90.01556	3.4
91.03965	1.4
93.01894	1.7
94.02692	2.3
95.00747	3.9
95.01289	1.8
96.01530	2.9
97.00507	2.7
97.02898	22.8
97.96833	1.9
98.01293	5.7
98.03249	2.1
98.21531	2.8
98.97592	100.0
99.00294	1.3
99.04468	8.0
99.97853	1.5
100.02542	1.4
101.00849	17.8
101.02432	1.5
102.00944	3.7
102.02364	2.4
102.38147	1.4
103.00607	2.8
103.02372	2.5
103.03958	2.9
104.01297	5.0
104.02489	1.5
107.01820	2.1
108.02417	1.8
109.02911	4.6
110.01278	18.6
110.07127	2.4
110.96845	1.9
110.97581	26.0
111.53049	2.3
112.07611	2.3
112.61240	1.4
112.99113	2.0
113.00878	6.1
113.02364	5.6
114.02492	1.2
115.00586	1.3
115.02425	3.4
116.01342	1.6
116.07058	2.5
116.98641	26.6
117.02055	2.6
117.02882	2.9
118.01067	2.1
119.01830	55.5
119.51997	2.4
120.02021	2.8
121.01653	3.8
122.01311	1.8
123.00217	1.5
123.02972	1.6
124.00997	1.7
124.95495	10.3
124.99101	4.2
125.01804	4.8
126.02526	3.3
127.00623	1.5
127.02452	2.3
127.03915	13.5
127.54344	1.8
128.02324	54.8
128.52489	2.5
128.98605	20.9
129.02957	2.6
129.04004	1.5
130.01009	2.7
131.00197	2.7
131.01894	19.1
132.01927	1.7
132.03458	3.3
133.01611	5.2
133.03435	4.0
134.99657	2.9
135.03149	6.7
137.01840	3.4
137.02826	15.4
138.00757	3.0
138.03432	3.4
139.01538	3.3
139.53125	2.4
140.02312	3.1
140.98592	8.0
141.01286	2.1
141.03030	2.4
142.96532	8.1
143.00198	6.9
143.01897	13.9
144.00731	2.8
144.02011	3.3
144.03493	5.2
144.98099	2.9
145.01608	3.5
145.03455	9.1
145.05002	2.8
146.02309	2.0
146.03648	1.7
146.99648	12.6
147.01437	3.3
147.03093	2.9
147.05031	1.6
147.53966	1.9
148.01971	1.6
148.03841	1.9
149.02995	1.9
150.01796	2.5
150.05501	1.4
152.02283	2.5
152.07123	2.9
152.98578	2.8
153.01283	3.9
153.03978	3.5
155.01857	10.2
155.02950	1.8
156.98100	3.5
157.01512	1.8
157.03490	4.3
158.03662	1.5
158.99673	12.8
159.03220	3.2
159.06845	3.8
160.02011	2.4
160.97653	2.8
161.01251	5.5
161.02948	11.5
162.01823	7.4
162.03105	2.8
162.04498	3.9
163.02728	3.2
165.00768	2.2
167.01949	1.5
168.01804	7.0
169.02623	3.0
170.96048	3.1
170.99811	10.2
171.01173	2.6
171.03113	1.7
171.04993	1.7
172.97601	2.7
173.01314	2.3
173.02959	14.8
174.01799	3.7
174.03139	2.7
174.04532	2.9
174.99205	8.1
175.02705	3.0
175.04372	1.9
177.00726	7.0
177.02333	5.7
177.07927	2.4
178.03070	2.0
181.04936	1.9
182.01501	1.5
182.03252	3.6
182.99635	5.3
183.02306	6.6
183.05064	4.5
184.97543	5.4
185.03009	10.5
186.03123	3.7
186.99174	2.7
187.02774	2.8
187.04573	1.6
188.53160	1.9
188.97070	5.7
189.00691	15.9
189.02420	3.9
189.07863	3.0
190.98672	3.7
191.02162	2.5
192.02806	2.1
193.00159	4.3
201.00693	6.0
202.98622	6.0
203.03943	7.2
204.04243	2.0
205.00224	2.5
206.98047	2.4
207.01762	3.8
212.85155	1.5
212.97064	1.9
213.00374	2.8
213.05959	3.3
213.07918	6.5
213.12355	2.5
217.00169	5.0
219.01756	7.8
221.05067	3.4
222.05341	2.4
223.04893	1.6
230.98112	5.0
232.99634	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0918
Annotation	CJ 14877
Peak:m/z	Relative Intensity
53.03948	0.4
55.01872	0.4
55.05519	0.6
57.03422	0.3
64.61230	0.2
65.03936	0.3
67.05511	0.8
68.05031	0.2
68.05826	0.4
69.03420	0.4
69.07059	0.5
69.84606	0.2
70.06599	0.5
70.07415	0.2
71.04992	0.3
71.51889	0.2
79.05502	1.7
80.05016	0.8
81.03414	0.5
81.05804	0.4
81.07068	1.2
82.06579	0.3
82.07375	0.5
83.04968	0.5
83.08593	0.2
91.05492	0.7
92.04995	0.8
92.05855	0.2
93.05802	0.3
93.07074	0.4
94.06573	1.3
94.07381	0.4
95.04958	0.5
95.07353	0.6
95.08633	0.6
96.08128	3.7
96.08823	0.3
96.08961	0.2
97.02881	0.3
97.06519	0.6
98.06082	0.6
98.97593	0.2
106.04169	0.2
106.06570	0.4
107.04935	0.3
108.05742	0.3
108.08941	0.3
109.05258	0.8
109.06516	0.7
109.10111	0.3
110.06084	0.4
112.07626	0.2
119.06095	0.5
119.08588	0.7
120.04458	0.4
120.08130	0.2
120.08928	0.8
122.06036	0.8
122.09655	0.3
123.06811	0.9
124.07603	2.3
124.12056	0.2
125.05962	0.2
127.03962	0.3
133.10156	0.3
134.10469	1.0
136.03925	0.4
137.04730	7.8
138.09999	0.4
140.07037	0.5
142.08574	0.2
148.12010	0.3
151.06291	4.7
152.07069	100.0
153.07430	1.2
166.08647	21.3
167.08942	0.2
176.15178	1.1
184.09702	2.9
194.08133	57.9
195.08253	1.0
212.05327	0.2
212.07242	0.2
212.09184	4.3
212.11517	0.4
212.11850	0.3
213.05490	0.8
216.28767	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	13.7
57.07076	3.8
59.04995	1.7
61.60640	1.5
67.05176	2.1
67.05509	25.1
69.03436	9.5
69.07072	16.7
70.40790	1.3
71.05000	7.1
71.06113	1.4
71.08617	1.8
71.23908	3.3
72.27172	1.4
79.05499	5.1
81.07059	28.1
83.04993	11.4
83.08617	9.5
85.06524	4.8
87.53841	1.5
91.05470	6.6
93.07047	12.3
95.04964	3.2
95.08613	38.6
97.06493	2.1
97.10170	2.7
99.04442	2.1
99.08096	4.6
105.07049	7.4
107.08598	24.3
109.06522	12.1
109.10162	100.0
111.08097	2.7
113.09628	1.9
117.06982	1.8
119.08593	21.0
121.10150	13.3
123.08064	14.7
123.11755	7.3
133.10143	21.0
135.11699	65.6
137.09627	14.1
139.11125	1.7
146.37814	1.4
147.11638	2.7
149.13255	5.3
151.11206	12.7
151.14842	12.6
153.12648	1.7
162.38005	1.5
165.16362	2.1
175.14832	19.5
190.42880	1.5
193.15921	16.3
211.99107	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03942	0.9
55.01886	0.4
55.05511	14.5
57.03433	0.8
57.07074	4.3
59.04997	2.6
59.71913	0.3
65.03945	0.7
67.05505	29.4
68.05840	0.4
69.03431	10.0
69.07068	17.9
70.81165	0.7
70.81503	0.5
71.04989	4.4
71.08632	1.5
79.05494	5.6
81.07057	29.7
83.04984	12.9
83.08623	9.5
85.06537	4.4
87.08108	0.5
91.05480	4.3
93.07041	12.6
95.04967	3.0
95.08609	41.2
96.08870	0.4
97.06519	2.1
97.10165	2.9
99.08086	3.8
105.07030	7.8
107.04971	0.4
107.08596	27.6
109.06519	12.5
109.10158	100.0
110.10525	0.7
111.08080	4.3
111.11723	0.6
112.03558	0.3
113.09646	1.7
117.07024	1.0
119.08582	25.9
120.09384	0.4
121.10146	9.8
121.11052	0.5
123.08070	15.9
123.11707	9.8
125.09639	1.3
125.62747	0.4
127.11195	0.8
131.08583	1.0
133.10132	21.3
134.10562	0.4
135.11693	73.9
136.12009	0.8
137.09613	16.4
138.10399	1.2
139.11186	2.4
145.10123	0.4
147.11697	1.6
149.13263	5.8
149.40068	0.4
151.11186	12.5
151.12367	0.7
151.14809	11.5
153.12747	2.7
165.12752	0.9
165.16396	2.2
175.14827	21.1
183.15781	0.6
189.58929	0.4
193.15884	16.4
211.16925	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05515	18.2
57.03436	3.7
57.07069	5.1
59.05001	6.6
65.33542	1.6
67.05510	28.1
69.03429	9.8
69.07069	25.6
69.49070	6.8
69.49493	4.5
71.04998	21.9
71.08637	2.0
79.05493	9.3
81.07059	36.8
83.04984	11.1
83.08627	12.6
85.06547	5.4
91.05466	8.3
93.07048	22.2
95.04995	4.5
95.08614	52.4
97.06549	9.9
97.10177	4.4
99.04462	6.3
99.08111	6.7
99.74377	1.5
105.07036	12.8
106.50639	1.6
107.08598	38.4
109.06511	11.5
109.10165	100.0
110.10492	1.9
111.08083	9.0
113.09648	1.9
115.07573	3.1
119.08591	35.9
121.10136	19.1
123.08075	20.6
123.11719	28.6
125.09568	3.3
133.10146	31.8
135.11697	83.1
137.08655	2.9
137.09612	24.9
137.10600	2.4
137.13245	2.5
139.11252	2.3
141.09056	1.9
141.12720	3.5
145.20720	1.8
147.11708	4.2
149.13264	10.3
151.11183	8.6
151.14842	12.3
152.11617	1.6
153.12781	10.7
155.10651	3.6
165.12920	2.3
165.16350	1.7
167.07079	2.3
175.14847	40.5
193.15880	24.2
211.16940	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32942	0.7
53.03942	1.0
55.05266	1.0
55.05518	14.7
57.03435	1.2
57.07092	4.0
59.04991	2.1
65.03943	1.0
67.05510	30.2
69.03432	10.3
69.07070	17.4
69.07401	0.7
69.39204	5.6
71.05003	4.2
71.08629	0.8
79.05502	5.1
81.03434	1.3
81.07061	31.9
83.04990	11.7
83.08620	9.8
85.06553	4.8
91.05492	5.0
93.07051	13.2
95.04996	3.4
95.08615	39.7
97.06527	2.0
97.10176	2.5
99.08114	4.0
105.07039	8.5
107.08601	29.2
109.06532	12.6
109.10164	100.0
110.10493	1.7
111.08090	3.5
111.77747	0.6
113.09666	2.5
117.06969	1.0
119.08590	24.8
121.10146	12.0
123.08083	15.9
123.11709	10.2
123.12570	0.7
125.09637	1.7
127.11204	1.3
131.08546	1.3
133.10138	20.9
135.11700	72.3
137.09621	16.3
139.11221	1.9
147.11684	2.7
149.13277	6.8
151.11177	10.8
151.14825	11.0
153.12758	2.8
165.16425	2.2
169.99036	0.8
175.14839	20.7
176.15204	0.7
183.67619	0.7
193.15887	17.2
206.91711	0.7
211.16957	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01857	3.6
55.05511	15.9
57.03440	9.5
57.07059	3.6
60.24914	1.7
65.03949	2.6
67.05508	19.6
69.03413	7.6
69.07072	13.5
69.96619	1.9
70.68590	3.6
70.68960	3.8
71.04980	7.3
73.09468	1.8
79.05154	1.6
79.05502	18.3
81.03411	20.4
81.07056	34.3
83.04983	13.2
83.08606	12.8
85.02898	3.5
85.06530	8.1
91.05476	21.5
93.07040	20.7
95.04962	17.2
95.08059	2.6
95.08614	35.3
96.08189	2.0
97.06507	7.4
97.10179	2.4
97.38053	1.9
99.04442	3.7
99.08067	5.9
105.07037	25.9
107.04937	2.6
107.08585	25.1
109.06514	9.1
109.10164	29.6
111.04400	2.6
111.08081	5.5
113.06030	1.6
113.09617	5.3
115.05453	1.9
119.08588	58.3
121.06438	2.2
121.10134	8.2
123.08073	8.1
123.11700	9.2
125.09644	6.4
127.07610	2.1
129.06940	2.5
131.08577	3.8
133.06476	1.8
133.10130	100.0
134.22473	1.8
135.07980	1.7
135.11700	41.4
137.05983	5.8
137.09605	11.0
139.03877	2.1
139.11217	2.7
147.11708	13.2
149.05933	2.7
149.09796	1.9
150.41609	1.9
151.11189	6.3
151.14835	2.4
155.08553	2.6
157.10091	5.3
165.12767	5.1
166.08659	2.4
167.07045	2.9
167.10735	3.9
169.10193	3.1
170.06036	2.1
175.11143	5.5
175.14824	57.3
181.08531	1.9
183.11693	2.0
184.09703	3.2
193.12256	12.0
193.15956	10.4
211.07520	2.2
211.11165	4.3
211.13208	4.6
211.14954	3.5
211.16878	4.8
211.18802	2.3
212.09195	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.22190	1.8
55.01876	7.3
55.05264	2.9
55.05517	31.5
57.03440	8.7
57.07084	17.3
59.05008	13.2
67.05509	51.4
69.03429	8.3
69.07072	42.1
71.05021	17.6
71.08616	1.9
71.56258	1.8
75.92786	1.8
79.05509	15.0
81.03432	4.4
81.07065	59.0
83.04998	22.0
83.08627	14.8
85.02901	11.9
85.06552	19.6
91.05000	2.1
91.05473	14.6
93.07059	37.1
95.04972	13.7
95.08616	100.0
97.06544	8.7
97.10197	9.1
99.04461	7.5
99.08058	2.7
101.09689	2.3
105.07044	23.2
107.08596	45.2
109.06548	17.7
109.10165	90.0
111.08086	14.6
111.11707	2.2
113.06031	6.2
113.09682	2.9
115.44106	1.9
119.08587	42.5
121.10154	16.6
123.08069	16.5
123.11712	31.0
125.09654	5.9
127.07572	2.7
133.10139	23.6
135.11699	54.7
137.09634	34.5
137.13264	2.7
139.11194	3.7
147.11681	7.5
149.13245	10.4
151.11177	14.2
151.14806	13.6
153.12737	8.0
155.10670	5.1
163.14861	3.0
165.12764	3.0
165.16371	9.1
175.11229	2.0
175.14810	29.5
181.15871	3.2
193.12230	4.0
193.15901	28.2
211.13416	12.8
211.16945	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17279	0.8
53.03938	2.6
55.01880	5.0
55.05265	1.4
55.05513	17.2
56.96573	1.1
57.03438	6.2
57.07071	2.7
58.06604	1.4
59.05005	4.4
63.89088	0.8
65.03941	1.9
65.69199	0.7
66.44769	0.7
66.49083	0.8
67.05508	30.3
69.03429	12.9
69.07064	18.8
70.06595	1.8
71.05000	16.1
71.50252	1.3
79.05492	18.6
81.03417	12.6
81.07060	36.7
83.04990	9.9
83.08632	8.8
85.02905	2.6
85.06535	7.7
86.01440	0.8
91.05486	29.0
93.07053	34.6
93.07639	1.9
94.06587	5.8
94.07114	0.7
94.07298	0.7
95.04974	19.3
95.08613	44.1
97.02906	1.9
97.06528	13.9
97.10184	1.9
98.06047	0.8
98.09694	1.2
99.04469	6.0
99.08092	8.6
103.05491	1.0
105.04472	1.2
105.07037	32.8
105.50008	0.9
107.04978	2.1
107.08598	32.1
109.02879	1.4
109.06522	12.6
109.10162	35.4
110.10519	1.1
111.04446	2.6
111.08095	9.3
113.06016	3.3
113.09650	5.0
115.07564	1.7
117.07036	3.2
119.04928	1.7
119.06104	9.6
119.08586	84.4
120.08882	1.2
121.06492	4.6
121.10149	10.2
122.10526	0.9
123.04456	4.5
123.08079	8.5
123.11704	12.7
124.07622	1.2
125.02362	0.9
125.06001	1.0
125.09637	11.6
127.03998	1.0
127.07550	1.5
127.11230	1.1
129.07008	2.7
131.04900	0.9
131.08568	6.1
133.06505	2.3
133.10135	100.0
133.78531	1.0
134.10484	1.5
135.08067	2.9
135.11700	45.0
137.06018	5.4
137.09621	65.7
137.13283	1.4
139.07530	1.9
139.11198	1.8
141.05426	1.0
141.09117	2.4
145.10112	1.6
147.04411	1.5
147.08015	2.6
147.10532	1.3
147.11693	18.6
149.05971	2.5
149.09593	3.1
149.13263	1.6
151.07542	3.9
151.11169	8.5
152.07085	2.6
152.11571	1.2
153.07027	1.1
153.09123	1.2
153.12798	1.4
155.08534	2.4
155.10698	2.1
157.10138	3.4
163.97771	1.1
165.03801	1.0
165.05597	1.6
165.07007	2.2
165.09103	3.0
165.12775	9.4
165.14696	1.0
165.16379	1.4
166.08630	1.4
166.15906	4.0
167.07104	7.6
167.08504	1.4
167.16273	20.7
168.09406	1.1
168.17516	6.0
169.07410	0.9
169.10115	2.6
175.11218	10.6
175.14833	65.5
176.15181	1.6
181.08623	0.9
181.10109	1.7
183.06584	1.4
183.08104	2.6
183.11685	1.3
184.09677	2.1
193.08574	2.6
193.12273	15.6
193.13982	1.4
193.14322	0.9
193.15891	9.4
194.08203	1.4
195.09239	2.6
196.08885	1.2
196.12482	1.5
197.00732	0.9
205.98848	1.4
207.64445	1.0
211.02325	1.1
211.05865	1.3
211.07562	4.0
211.09677	4.1
211.11212	3.5
211.13152	20.8
211.14696	2.5
211.16930	5.4
211.18893	10.1
211.21764	0.8
212.09085	1.1
212.09848	1.3
212.11829	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
52.72413	3.0
53.03950	8.7
53.14254	3.1
53.55254	3.1
55.01867	13.9
55.05273	3.6
55.05518	36.0
56.96571	4.8
57.03441	20.5
57.07074	6.0
59.04998	8.5
65.03947	3.1
67.05178	5.3
67.05513	53.7
69.03438	23.8
69.07072	52.9
69.37472	7.5
69.37880	18.7
70.06595	7.4
71.04997	28.3
79.05501	29.7
80.05035	3.4
80.77811	3.0
81.03439	9.1
81.07059	68.6
83.04995	19.2
83.08617	18.8
84.08163	5.4
85.02934	5.9
85.06551	15.8
91.05493	43.3
93.07049	60.7
95.04972	30.8
95.08614	77.4
97.02877	4.8
97.06529	23.8
97.10162	7.5
98.20789	7.0
99.04468	21.7
99.08105	7.8
103.05451	4.3
105.07041	40.9
107.04973	13.7
107.08605	50.7
108.04500	4.8
109.02879	6.5
109.06508	28.5
109.10166	83.0
111.04467	7.8
111.08086	17.6
113.06017	9.2
113.09682	5.5
117.07038	5.4
119.04964	8.2
119.08584	85.8
121.10131	19.2
123.04440	7.4
123.08090	16.8
123.11744	19.4
125.06000	6.7
125.09637	25.0
127.03976	5.1
127.11227	3.1
129.06979	4.9
131.08588	8.2
133.06517	7.4
133.10141	100.0
135.08058	4.0
135.11699	62.7
137.06029	19.4
137.09615	48.9
140.07019	3.1
141.07034	3.5
141.09106	4.1
145.10149	3.0
147.04388	6.1
147.08049	4.5
147.11668	19.8
149.06010	7.0
149.13277	7.3
151.03967	6.1
151.07538	29.8
151.11211	9.6
151.14828	4.6
152.07085	5.3
153.01891	5.0
153.05475	6.1
153.12759	9.1
155.08427	4.3
155.10677	16.6
165.05539	5.5
165.06937	4.5
165.09122	5.2
165.12735	7.2
165.16406	4.6
166.08643	3.9
167.07042	29.0
168.07849	4.3
175.11183	6.3
175.14845	72.0
179.07021	13.8
180.07935	3.2
181.08632	3.9
183.06512	3.8
183.07962	5.4
184.09763	6.2
188.55914	3.2
193.04971	6.5
193.06578	3.1
193.08650	5.0
193.12248	6.1
193.15906	51.1
194.15453	10.0
205.98741	5.9
211.07571	11.8
211.09648	10.0
211.11462	7.0
211.13368	9.6
211.16875	22.9
212.09224	5.1
212.16487	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	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
51.86147	1.0
55.05515	14.2
57.03432	4.6
57.07072	3.6
59.05000	3.6
67.05507	27.8
69.03435	8.8
69.07073	20.1
70.75992	2.1
71.04996	5.0
71.08636	1.5
75.17303	1.0
79.05489	6.8
81.03426	2.6
81.07067	32.1
82.97248	1.0
83.04985	15.3
83.08623	11.4
85.06537	4.6
91.05492	6.5
93.07056	14.5
95.04952	3.8
95.08611	40.6
95.94223	1.1
97.06532	2.7
97.10184	3.1
99.08102	4.1
105.07040	9.7
107.08598	29.0
109.06544	13.2
109.10159	100.0
110.10505	2.2
111.08086	6.9
111.11735	1.3
113.09625	1.3
119.07755	1.0
119.08582	26.4
121.10145	11.2
123.08079	18.4
123.11722	10.5
125.09640	1.9
133.10133	21.7
134.10574	1.3
135.11696	66.4
137.09625	23.5
139.11182	3.8
145.10167	1.1
147.11688	1.6
149.13219	5.6
151.11169	8.9
151.14810	10.2
153.12744	4.0
165.12759	2.2
165.16415	2.2
175.14842	19.3
185.28102	1.1
189.62413	1.0
193.12262	1.5
193.15889	18.5
211.17017	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03945	5.7
55.01868	6.5
55.05513	46.0
57.03190	1.5
57.03437	15.5
59.04996	2.3
61.82630	1.2
65.03923	2.0
65.76113	1.0
67.05505	34.1
69.03428	11.7
69.07066	13.4
70.11298	3.9
71.05009	6.6
74.73938	1.0
77.03889	1.4
79.05495	36.0
81.03419	100.0
81.06593	2.5
81.07056	39.4
83.04983	47.1
83.08620	36.6
83.09124	1.7
85.02907	1.3
85.06548	3.6
91.05482	32.5
91.93996	1.2
93.07054	19.4
95.04967	37.7
95.08604	19.8
97.02883	4.1
97.06530	7.5
97.10171	9.9
99.08103	1.4
99.15613	1.2
105.07033	27.5
107.04961	8.5
107.08591	12.5
109.06543	8.3
109.10153	12.2
111.04421	3.1
111.08093	11.8
115.05477	1.5
117.07011	2.1
119.08576	23.1
121.06500	1.2
121.10155	11.1
122.75829	1.2
123.08079	6.6
123.11716	3.1
125.09634	4.2
129.06999	13.4
131.08586	15.1
133.06493	3.4
133.10133	12.8
135.11699	8.0
137.09631	5.0
137.13283	1.5
139.11192	3.0
142.07768	2.8
145.10150	1.6
147.08012	4.2
147.11694	19.4
149.09644	9.4
151.03741	1.2
151.11122	2.1
151.14761	1.4
154.17174	1.3
157.10143	17.5
165.12764	4.1
167.07185	1.2
167.10695	2.1
173.64299	1.1
175.11171	15.7
175.14784	2.3
183.11752	1.4
193.12245	34.4
193.15854	1.7
195.22588	1.2
211.11292	2.6
211.13184	17.6
211.14735	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
52.74101	1.6
53.03933	5.7
55.01867	7.6
55.05516	45.0
56.96566	3.2
57.03439	19.6
57.07064	2.2
59.04992	3.5
65.03936	2.7
67.05508	40.8
69.03434	12.5
69.07076	17.2
69.50998	12.3
71.01359	1.4
71.04984	8.0
73.06553	2.1
79.05499	42.8
81.03425	100.0
81.07059	58.4
82.03789	1.9
82.11588	1.6
83.04987	48.0
83.08623	34.7
85.02913	1.7
85.06536	5.0
91.05487	39.7
93.07053	28.0
95.04976	36.1
95.08611	34.3
97.02892	4.2
97.06531	12.0
97.10172	5.9
99.08090	3.9
105.07044	30.3
107.04967	8.9
107.08599	16.6
109.06516	10.7
109.10160	24.7
111.04418	3.9
111.08098	14.5
115.05421	2.9
117.07047	2.4
119.08584	32.9
121.06492	2.1
121.10149	15.7
123.08070	8.9
123.11711	5.4
125.05979	3.5
125.09634	4.8
129.07031	10.9
131.08598	11.5
133.06494	3.7
133.10147	14.0
135.11719	9.6
137.09634	9.1
137.13249	5.0
139.11147	1.8
142.07791	4.7
147.08046	4.1
147.11697	19.9
149.09619	10.5
151.07559	1.9
151.11108	2.7
155.08539	3.3
155.60822	1.4
157.10138	16.8
161.13252	1.5
165.12776	7.0
166.62958	1.4
167.07008	1.9
167.10692	6.4
169.10121	3.7
173.97359	1.5
175.11192	16.9
175.14813	4.0
181.10121	1.7
181.69617	1.5
184.09665	3.5
193.10445	1.9
193.12254	35.7
193.15944	3.3
211.11319	2.5
211.13274	24.0
211.14909	5.0
212.09265	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	211.133
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
50.15144	1.1
53.03959	4.8
54.42945	1.0
55.01881	6.6
55.05514	46.0
57.03439	9.0
59.04988	1.3
60.53170	0.9
65.03947	2.5
67.05509	33.7
68.98518	1.2
69.03148	1.0
69.03432	12.1
69.07069	11.6
71.04990	5.9
71.50748	1.3
71.51105	1.0
76.99179	1.1
79.05499	33.6
81.03422	100.0
81.06593	2.2
81.07063	39.2
83.04985	52.0
83.08155	2.1
83.08621	32.7
85.06506	3.6
87.04488	1.6
91.05482	37.7
93.07049	20.8
95.04376	2.1
95.04974	34.7
95.07369	1.3
95.08614	15.0
97.02869	3.9
97.06516	5.8
97.10167	8.9
99.08059	1.1
105.07034	26.6
107.04976	6.3
107.08598	9.8
109.06522	7.0
109.10187	7.8
111.04452	3.8
111.08092	10.7
115.05477	1.9
117.06979	2.9
119.07816	1.4
119.08591	19.8
121.06509	2.4
121.10161	10.0
123.08090	4.9
125.09638	1.7
129.07031	11.2
131.08578	10.9
133.06508	3.4
133.10138	10.7
135.11676	3.2
137.09586	3.3
140.07057	1.2
142.07770	2.8
145.10080	1.8
147.08055	3.6
147.11688	16.5
147.84531	1.0
148.14026	1.1
149.09627	8.7
153.06972	1.0
155.08542	1.7
157.10138	15.6
165.12755	3.2
166.08598	1.1
169.10104	1.1
175.11201	15.2
184.09682	6.6
192.45097	1.0
193.12262	34.3
194.12576	1.0
196.12491	1.2
211.11272	1.8
211.13287	15.4
211.14853	2.5
211.16516	1.1
212.09183	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03947	6.0
55.01872	6.7
55.05516	44.7
57.03450	8.9
59.05016	2.0
65.03934	2.5
67.05510	36.4
69.03446	10.1
69.07082	12.4
71.04987	5.8
74.35789	1.2
79.05075	2.3
79.05504	31.5
81.03424	100.0
81.07062	38.4
83.04988	52.6
83.08625	32.4
85.02917	1.6
85.06535	2.2
91.05486	35.5
93.07052	18.9
95.04972	36.6
95.08609	13.6
96.95793	1.5
97.02842	2.3
97.06519	5.2
97.10191	7.2
98.20732	3.6
105.07039	28.0
107.04292	1.3
107.04944	7.7
107.08608	7.2
107.86333	1.5
109.06530	7.2
109.10149	5.4
111.04453	4.6
111.08073	10.1
115.05432	2.0
117.07024	1.8
119.08591	18.5
121.06500	1.9
121.10154	9.3
123.08069	3.7
123.11719	2.4
123.59667	1.3
125.09603	2.5
128.63600	1.4
129.07016	12.5
131.08580	12.9
133.06511	3.1
133.10141	11.5
135.11623	2.8
137.09593	3.6
140.07080	1.8
142.07735	3.8
145.10126	1.9
147.08052	3.7
147.11710	15.3
147.18721	1.4
149.09645	5.3
157.10139	17.3
165.12694	2.3
169.10173	2.8
175.11180	18.2
184.09648	3.3
193.12242	33.1
196.12447	2.4
211.11298	2.3
211.13269	14.2
211.14897	3.2
212.09132	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.70464	1.3
53.03933	5.8
55.01864	5.6
55.05511	46.1
57.03431	13.9
57.07068	2.0
59.04993	1.3
67.05504	34.7
69.03435	10.8
69.07069	13.3
70.21258	6.1
71.04984	7.0
79.05495	37.7
81.03417	100.0
81.07056	38.0
81.88648	1.3
83.04491	2.9
83.04980	50.0
83.08621	33.2
85.02903	2.2
85.06538	2.6
91.05486	36.1
93.07053	20.7
95.04976	33.3
95.08611	17.3
97.02900	3.0
97.06543	7.7
97.10177	11.0
99.04460	1.6
99.08074	1.7
105.07034	24.8
107.04967	7.5
107.08600	12.1
109.06513	8.1
109.10140	10.5
111.04436	1.9
111.08110	11.9
115.05450	1.8
119.08575	20.7
121.06473	2.4
121.10115	8.5
123.08060	6.0
123.11665	2.0
125.09616	4.2
129.07005	12.6
131.08575	13.8
133.06468	3.5
133.10130	14.8
135.11676	5.3
137.09615	4.8
137.13171	1.4
142.07777	3.8
147.08055	3.8
147.11685	18.4
149.09657	8.1
151.11200	1.6
155.08539	2.3
157.10120	17.7
164.23012	1.3
165.12773	3.8
167.10683	2.9
169.10129	2.5
175.11201	17.3
175.14772	1.3
193.12245	35.4
193.15912	1.8
196.12460	1.7
211.13208	13.0
211.15012	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	211.0967
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
53.03947	1.2
55.01882	2.9
55.05521	13.3
57.03446	3.0
57.07078	0.9
59.05009	2.5
65.03941	1.1
65.06470	0.6
67.05511	20.5
68.99802	6.2
69.03435	6.5
69.07067	4.9
70.06598	1.1
70.51090	2.1
71.05008	6.6
75.79808	0.6
77.03908	0.7
79.05503	5.9
81.03425	1.8
81.07062	19.2
83.04983	3.1
83.08626	1.6
85.06560	4.1
87.04533	0.8
91.05488	14.7
93.07053	15.3
95.04975	16.4
95.08617	14.0
97.06545	5.1
99.04475	1.5
99.08098	1.2
101.06074	0.8
103.05497	2.7
105.03406	0.8
105.04538	0.9
105.07058	6.8
107.04941	4.1
107.08599	7.2
109.06533	6.5
109.10175	15.9
111.04447	1.6
111.08096	6.9
113.06010	2.5
119.04964	5.7
119.08588	16.1
121.06516	10.3
121.10151	4.4
123.04440	91.4
123.08058	4.8
123.11709	1.2
125.09636	5.4
127.07616	0.9
131.08533	0.8
133.06494	3.0
133.10153	3.0
134.03639	1.3
135.08081	2.2
135.11694	2.9
137.06023	5.1
137.09630	100.0
141.09120	0.8
141.57257	0.7
142.17587	0.8
147.04401	2.2
147.08060	4.3
147.11708	6.0
149.05995	85.5
150.06267	2.1
151.03912	0.9
151.07559	6.3
151.11183	2.6
153.05542	0.8
160.05223	0.9
165.09131	42.8
165.12746	5.5
167.07056	8.9
175.07578	6.5
175.11185	3.1
175.14804	1.5
179.03397	0.7
179.07074	1.3
181.08656	1.7
193.08626	64.2
193.12233	7.3
193.15863	1.4
194.08878	1.0
211.05888	1.1
211.07797	0.8
211.09688	1.8
211.11472	0.8
211.13277	25.4
211.16670	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
52.30782	0.9
53.03936	1.6
55.01867	3.7
55.05507	3.7
57.03427	1.1
61.85389	0.8
65.03943	1.3
67.05503	9.4
68.99783	2.4
69.03419	2.2
69.07059	2.5
70.06596	1.2
70.09852	3.1
70.10223	1.6
71.01355	1.2
71.04991	2.1
79.05497	6.2
80.05023	0.9
81.03419	1.3
81.07066	7.9
83.04996	2.4
85.06505	1.4
91.05489	18.8
93.07045	9.1
94.06564	2.8
95.01340	0.9
95.04978	13.1
95.06898	3.7
95.08601	4.6
97.02904	1.0
97.06511	2.1
98.20833	1.5
99.04457	1.3
99.08105	2.7
103.05458	5.3
105.03385	2.4
105.07043	6.5
107.04948	7.7
107.08609	2.6
109.06518	5.3
109.10142	4.9
111.04428	1.3
111.08071	2.1
117.07039	0.9
119.04951	12.3
119.06905	0.9
119.08585	5.3
120.04479	1.4
120.08051	1.0
121.04780	2.8
121.05660	2.0
121.06519	27.5
123.00844	0.9
123.04439	48.7
123.08067	2.3
123.11658	1.3
129.06963	1.0
131.04897	1.7
133.04785	1.0
133.06499	10.8
133.10121	1.1
134.03604	1.5
135.08133	0.9
136.07594	0.9
137.06018	6.6
137.09624	14.5
147.04420	26.8
147.06238	4.6
147.08064	4.8
147.11713	1.6
149.05995	100.0
150.06415	1.5
151.07561	8.3
152.07089	1.1
155.10658	3.5
163.97621	0.9
165.05484	1.3
165.07091	0.9
165.07695	1.0
165.09129	9.7
166.08675	1.2
167.07056	14.9
175.05981	1.8
175.07544	17.2
175.11201	1.1
179.07063	2.4
181.08594	1.0
184.27028	0.8
193.06845	2.0
193.08615	29.2
193.12234	1.3
193.15771	1.1
196.07401	0.9
205.98663	1.6
211.02350	1.0
211.05943	2.1
211.09415	4.3
211.11424	1.6
211.13118	1.4
211.14864	1.2
211.16623	1.0
212.03807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
51.02397	1.6
53.03952	5.7
55.01880	11.4
55.05508	4.1
57.03435	2.1
65.03938	7.1
67.05220	1.2
67.05516	12.1
69.03433	2.8
69.07080	4.8
70.06597	1.7
70.12910	2.1
70.13297	2.3
71.05000	2.7
78.04715	3.1
79.05500	18.0
81.03419	3.8
81.07056	9.8
81.90287	1.0
83.04994	3.5
83.08622	1.5
85.02916	4.2
85.06554	2.5
90.04735	1.0
91.05492	91.1
92.05829	1.9
93.07056	10.2
94.04177	1.2
95.04984	14.0
95.08621	9.2
97.02905	2.4
97.06569	5.8
99.04506	1.3
99.08138	1.1
103.05475	10.3
105.03406	11.5
105.04536	2.3
105.07045	22.3
106.04181	2.5
107.04969	34.9
107.08614	2.9
108.04539	1.1
108.05743	3.1
109.06523	26.6
109.10168	9.7
110.78412	1.2
111.04462	2.0
111.08104	8.4
113.06054	1.5
115.05488	2.6
118.04177	4.6
119.04955	100.0
119.08598	7.9
121.06515	25.3
121.10155	3.1
122.07291	1.8
123.04453	9.2
123.08085	12.7
123.11684	1.3
124.05221	2.1
125.06023	2.4
125.89403	1.0
131.04927	2.4
133.06505	12.9
133.10156	2.3
134.03651	13.4
135.04466	1.7
135.08051	2.8
135.11740	2.0
136.05208	2.4
137.06010	8.5
137.09636	20.3
147.04430	15.3
147.08105	2.1
147.11679	3.4
149.06001	34.1
151.03923	3.3
151.07555	47.6
151.11194	1.0
151.71776	0.9
152.04727	1.8
155.10667	14.4
161.06000	7.3
163.97653	1.2
165.05499	2.6
165.09122	2.7
165.12863	1.4
165.99211	0.9
166.06288	2.0
167.05652	2.2
167.07059	39.0
168.07466	4.1
175.11150	1.7
179.07068	16.0
181.08615	7.8
184.09692	1.9
193.04955	1.3
193.08673	2.5
193.12282	2.7
211.05904	1.7
211.07704	2.0
211.09616	16.3
211.11635	0.9
211.12927	4.7
212.09267	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.3
55.01878	0.4
55.05503	1.5
56.96563	0.4
57.03439	0.3
57.07067	0.5
58.06602	0.2
65.03955	0.2
67.05510	2.3
68.05013	0.3
68.05823	0.2
69.03423	0.8
69.07066	1.1
69.75847	1.2
70.06596	0.8
71.04989	1.5
72.08170	0.2
74.53441	0.2
76.02232	0.5
76.33213	0.2
79.05493	1.3
80.05037	0.2
80.05850	0.3
81.03407	0.9
81.07049	2.1
82.06584	1.4
82.07394	0.7
83.04976	0.8
83.08631	0.7
84.05309	0.4
84.08141	0.6
85.02927	0.3
85.06539	0.6
91.05484	1.5
92.05842	0.4
92.51621	0.2
93.07051	2.0
93.84082	0.2
94.06570	3.4
94.07378	0.9
95.04964	1.8
95.08613	2.3
96.05294	0.6
96.08150	1.2
96.08923	0.4
97.06537	0.7
98.20807	0.3
98.97540	0.3
99.04453	0.7
100.04793	0.4
105.07037	0.8
106.07373	0.8
107.04984	0.3
107.08590	1.8
108.08124	1.3
108.08927	1.3
109.06534	2.0
109.08912	1.3
109.10161	1.3
110.06834	1.5
110.09689	1.2
110.10485	0.7
111.08097	0.8
112.07615	2.6
112.08353	0.5
112.11229	0.6
113.06040	0.2
115.03886	0.2
119.04935	0.5
119.08590	1.0
120.08088	0.2
120.08878	0.3
121.06488	0.4
121.10120	1.0
122.02479	0.3
122.06843	0.2
122.09670	3.1
122.10482	1.1
123.08064	0.7
123.10462	1.5
123.11736	0.6
124.08421	0.6
124.11244	2.7
124.12073	0.4
125.09616	0.7
131.08603	0.3
132.08913	0.7
133.10109	0.7
134.10471	0.7
135.08006	0.5
135.11682	0.8
136.07518	0.3
136.08406	0.7
136.11218	3.4
136.12128	0.2
137.09650	3.2
137.12004	3.2
137.13094	0.4
138.09908	0.3
138.12799	1.4
140.11482	0.3
146.10416	0.5
147.04448	1.3
147.08044	0.2
147.11766	0.3
148.12086	0.3
149.09622	0.4
150.10019	0.5
150.13689	1.1
151.11150	0.5
152.11559	1.1
154.09479	0.7
155.08459	0.2
164.07106	0.5
164.11594	0.5
164.14270	3.0
165.12744	0.2
166.15918	100.0
167.07022	0.6
167.16255	1.5
168.02908	0.5
168.14630	0.2
168.17461	0.6
174.13637	1.3
182.04514	0.4
192.06474	0.3
192.10191	0.3
192.14700	2.1
193.12247	0.3
210.08130	0.3
210.11351	0.7
210.18536	40.6
211.13229	0.5
211.17050	0.3
211.18793	1.0
231.01797	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03935	1.7
55.01876	5.0
55.05514	4.4
57.03445	1.2
57.07076	4.6
59.04992	0.9
65.03937	1.9
67.05502	7.1
69.03426	2.2
69.07071	4.5
69.76868	0.5
69.85448	2.8
71.04983	2.6
75.04482	0.7
77.03925	0.9
78.04714	1.3
79.05489	7.8
81.03410	1.4
81.07055	9.2
83.04980	4.4
83.08611	1.7
85.02887	1.4
85.03384	0.5
85.06544	1.3
89.03909	1.3
91.05480	10.1
93.03413	3.6
93.07040	10.1
95.04972	6.8
95.08608	6.7
97.02883	1.9
97.06537	3.3
97.10175	0.7
98.21452	0.7
99.04448	1.1
99.08095	1.5
103.05477	4.3
105.04516	0.9
105.07024	4.2
106.04183	7.8
107.04982	1.5
107.08597	9.7
109.06521	100.0
109.10165	7.9
111.04446	2.9
111.08096	2.2
113.06013	0.5
117.03429	1.2
117.07021	2.3
119.04909	1.1
119.08579	3.2
121.06512	11.7
121.10143	6.3
123.04424	0.8
123.08078	9.5
123.11737	0.9
125.05989	3.1
125.09641	1.5
131.04941	1.6
131.08574	5.7
133.06523	0.8
133.10129	3.4
134.03671	2.4
135.04436	0.9
135.08058	19.1
135.11700	3.3
137.05965	1.4
137.09700	0.5
138.06786	0.8
139.07553	1.5
145.02876	1.8
145.10097	3.6
147.04425	0.8
147.08058	1.0
147.11688	1.6
148.05203	1.3
148.08830	0.8
149.05988	11.2
149.09627	5.9
149.13243	2.6
150.10446	1.1
151.11189	3.7
153.05467	1.7
153.09119	6.8
158.10915	0.9
159.04424	0.7
161.09657	0.9
163.03969	0.6
163.07574	1.1
163.11148	3.3
163.14861	1.7
165.07150	0.5
165.12766	0.9
167.07071	0.7
167.08524	0.6
167.14319	0.7
173.13286	5.1
175.85953	0.5
177.05466	7.8
179.08580	1.1
181.08617	2.3
181.10077	0.9
191.07030	1.4
191.10657	1.4
191.14308	17.6
209.04443	2.0
209.07991	2.9
209.09805	1.3
209.11743	2.6
209.13310	2.0
209.15340	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03946	2.7
55.01878	5.1
55.05502	6.2
57.03442	5.3
57.07069	4.8
57.56990	0.7
59.04997	1.6
65.03942	2.0
66.27083	0.8
67.05502	9.2
69.03429	9.4
69.07055	5.3
71.04991	6.4
71.35976	1.8
78.04682	1.4
79.05499	9.4
81.03419	8.0
81.07053	14.9
82.04213	4.6
83.04984	6.3
83.08630	3.3
85.02911	6.5
85.06518	2.1
91.05484	9.2
93.03419	1.5
93.07056	11.7
95.04979	12.5
95.08608	8.8
97.02904	5.4
97.06545	7.0
99.04457	3.7
99.08090	1.7
103.05461	1.7
105.03413	0.8
105.04542	1.0
105.07036	7.7
106.04167	8.0
106.57791	0.9
107.04979	2.6
107.08588	16.2
109.06522	100.0
109.10167	9.5
111.04441	3.6
111.08099	9.7
113.09679	1.1
117.07001	1.7
119.04978	1.1
119.08606	4.0
121.06505	8.5
121.10145	8.4
123.08066	14.1
123.11757	1.3
125.02274	1.0
125.06000	2.5
125.09612	4.5
130.76599	1.0
131.08609	5.0
133.06589	1.1
133.10150	8.9
135.08058	24.5
135.09006	1.9
135.11688	2.9
137.09619	1.2
139.07549	14.6
144.09271	0.9
145.10132	3.8
147.08119	1.7
147.11702	2.2
148.05147	0.9
149.05988	7.1
149.09618	6.4
149.13277	4.4
151.07558	3.0
151.11194	5.7
153.09116	9.9
158.10905	1.2
163.07503	1.1
163.11139	2.0
163.14825	2.7
165.09085	1.5
165.12787	1.8
167.10753	1.0
167.14346	1.5
167.33922	0.8
173.13263	7.6
177.05510	3.6
181.08640	1.3
191.07031	1.9
191.10669	3.1
191.14294	21.9
209.04547	2.1
209.08157	2.3
209.11754	6.4
209.15385	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	4.6
55.01870	6.2
55.05513	25.9
57.03439	5.2
57.07075	6.9
59.04994	5.9
65.03941	6.5
67.05504	21.3
69.03442	27.3
69.07070	23.0
70.86794	5.3
70.87167	3.9
71.05012	13.5
75.27407	2.5
78.04723	2.3
79.05499	23.3
81.07057	23.9
83.04987	26.1
83.08609	12.2
85.02912	4.3
85.06545	9.3
91.05470	26.7
93.03402	3.2
93.07047	37.1
95.04973	14.7
95.08620	28.2
97.06533	10.3
97.10178	16.0
99.04499	4.3
99.08109	16.2
103.05473	5.0
105.07037	18.3
106.04189	9.0
107.04960	5.8
107.08599	75.2
109.06509	16.9
109.10151	21.7
110.68962	2.4
111.04444	2.6
111.08103	10.2
113.06007	5.7
117.07039	5.2
119.08583	6.8
120.36354	2.3
121.06525	22.8
121.10136	50.5
121.56554	2.5
123.08077	9.1
123.11706	11.3
125.06010	9.3
125.09634	79.6
131.08580	31.5
133.10173	18.0
135.08031	20.1
135.11726	8.3
137.09616	7.4
139.07544	8.6
139.11179	6.1
143.08542	2.7
145.10120	13.4
147.08124	2.9
147.11639	6.3
149.05989	13.5
149.09624	100.0
149.13281	20.3
151.11201	48.7
153.05528	5.3
153.09094	23.9
163.11209	11.9
163.14806	17.2
165.12766	9.4
167.07109	3.4
173.13229	14.3
177.05484	8.6
181.08612	3.1
191.06963	2.3
191.10690	10.7
191.14291	40.1
197.17227	2.1
209.04483	3.3
209.08159	5.1
209.11906	12.7
209.15366	74.6
217.42967	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.00315	0.7
53.03944	0.9
55.01873	4.0
55.05508	3.0
57.03437	1.2
57.07085	4.5
59.04996	1.1
65.03953	1.5
65.61326	0.6
67.05514	5.2
69.03423	0.8
69.07066	3.5
70.04667	3.6
70.09175	0.7
71.04991	2.5
77.31760	0.7
78.04716	1.0
78.87342	0.6
79.05490	6.0
79.11255	0.7
81.03423	0.9
81.07064	8.7
83.04980	2.2
83.08614	1.7
85.02917	0.9
85.06549	1.2
87.28222	0.7
91.05487	7.8
93.03394	1.5
93.07056	7.7
95.04966	6.9
95.08605	7.2
97.02886	1.0
97.06528	2.8
99.04422	0.9
103.05441	1.6
105.07037	4.4
106.04204	4.9
107.08599	8.5
109.06526	100.0
109.10168	9.4
111.04470	1.4
111.08089	1.8
117.06976	1.0
119.04923	1.1
119.08612	1.4
121.06527	6.1
121.10162	5.2
123.08086	10.5
125.06011	1.8
125.09647	1.3
129.07072	1.1
131.04968	1.0
131.08560	5.5
133.10152	3.3
134.03658	1.4
135.08061	22.0
135.11708	2.5
137.05989	0.9
139.11191	0.9
145.10146	2.6
147.08037	1.0
147.11688	1.3
149.05991	5.9
149.09613	4.5
149.13295	1.6
150.10434	1.4
151.11230	3.0
153.09117	5.1
158.10922	1.6
163.11172	2.3
173.13333	4.6
177.05458	3.4
181.08632	1.4
191.14330	18.3
195.46346	0.7
209.04376	1.2
209.08037	1.7
209.11580	1.1
209.13435	1.5
209.15309	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	209.1538
Annotation	Apo-9-zeaxanthinone
Peak:m/z	Relative Intensity
53.91052	1.0
54.94778	0.9
55.01865	2.1
55.05503	2.7
57.03438	2.6
57.07087	4.9
67.05514	6.5
67.27619	0.9
69.03432	3.2
69.07063	4.7
70.95428	2.3
70.95760	1.1
71.04996	3.5
79.05502	8.0
81.07052	9.2
83.04990	2.2
83.08621	1.9
85.06536	1.8
91.05476	6.1
92.87072	1.1
93.03410	1.8
93.07053	10.1
95.04987	6.0
95.07724	1.1
95.08626	8.2
95.09144	1.5
97.06531	2.5
99.04449	1.6
105.07057	5.8
105.22964	1.0
106.04158	2.9
107.04965	1.8
107.08609	13.3
109.06526	100.0
109.10174	10.4
111.08063	2.5
113.09621	1.6
117.07022	1.9
119.08562	2.4
121.06501	6.6
121.10130	6.9
123.08094	9.2
125.09608	2.5
131.08559	6.1
133.10156	5.2
135.07118	1.8
135.08066	23.2
135.11670	2.5
139.07526	1.3
145.10091	4.8
147.11649	3.3
149.05994	4.6
149.09622	5.6
149.13263	3.2
150.10371	1.6
151.11172	5.5
153.09064	5.8
158.10922	1.9
161.09576	1.4
163.11211	4.5
163.14842	2.5
173.13268	6.5
177.05522	2.4
191.07057	1.6
191.10710	3.0
191.14314	20.0
209.08063	1.1
209.11699	1.7
209.15399	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	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03960	3.0
55.01870	14.2
55.05520	12.1
57.03442	7.1
57.07086	9.4
59.04989	1.7
65.03943	4.1
67.05507	17.0
69.03426	6.5
69.07078	13.6
71.04994	17.0
71.51992	2.1
75.04489	2.7
75.18530	1.6
77.03891	1.5
78.04727	3.1
79.05502	19.1
81.03428	3.5
81.07069	22.2
83.04988	10.6
83.08609	4.3
85.02909	3.2
85.06550	4.7
89.03928	3.2
91.05487	31.3
91.33706	1.4
93.03413	5.9
93.07053	36.6
93.07642	2.3
95.04977	100.0
95.08614	22.6
97.02881	1.8
97.06525	12.9
99.04459	21.3
99.08104	6.5
103.05482	7.5
105.07040	18.0
106.04182	21.7
107.04970	6.8
107.08602	43.8
109.06523	79.6
109.10165	20.0
111.04436	4.1
111.08092	6.2
113.06058	1.9
113.09646	1.9
115.05454	1.7
116.06331	1.4
117.03382	4.0
117.07034	6.4
119.04936	2.6
119.08582	9.8
121.06512	28.4
121.10152	26.7
123.08106	14.0
123.11741	5.1
125.06027	10.9
125.06832	1.6
125.09631	4.8
129.07033	2.4
131.04936	3.5
131.08568	11.4
133.10139	16.2
134.03647	4.5
135.04372	2.5
135.08064	27.8
135.11702	13.0
137.06021	2.2
137.09621	5.0
139.03885	2.7
139.07576	4.4
139.11174	3.7
140.63310	1.5
145.02844	2.8
145.10149	12.6
147.04468	2.2
147.08063	2.1
147.11691	14.4
148.05191	1.9
149.06004	24.8
149.09631	40.5
149.13269	22.7
151.07574	2.1
151.11214	17.8
153.05501	3.8
153.09116	31.5
153.10365	1.9
158.10858	2.5
163.03949	9.9
163.07591	4.1
163.11200	9.6
163.14848	5.8
165.06940	2.0
165.12749	5.9
166.28102	1.5
167.07100	2.4
167.14322	4.1
173.13297	18.9
176.11971	1.4
177.05473	13.0
179.08583	2.1
181.01363	1.7
181.08641	3.2
181.10139	1.9
191.03409	17.6
191.07008	3.5
191.10712	5.7
191.14325	50.0
209.04454	15.1
209.06075	2.2
209.07967	7.0
209.09883	2.6
209.11708	3.8
209.13441	3.2
209.15376	40.8
209.18872	1.4
215.89888	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03959	2.7
55.01867	5.3
55.05516	17.3
57.03423	8.8
57.07067	8.1
59.04999	5.7
67.05507	15.5
69.03436	12.2
69.07076	21.0
69.61962	11.5
71.04983	9.4
78.96664	2.2
79.05491	20.8
81.03391	3.6
81.07063	36.8
83.01344	4.7
83.04979	28.3
83.08602	9.2
85.02901	2.5
85.06535	11.2
91.05489	16.9
91.96057	2.6
93.07050	34.9
95.04977	28.5
95.08611	29.5
97.06555	14.1
97.10153	4.3
99.04450	6.1
99.08096	26.1
100.83561	2.3
103.05449	3.4
105.07032	20.2
106.04188	2.8
107.04943	7.0
107.07880	4.3
107.08600	66.3
109.06534	17.5
109.10163	24.6
111.04457	3.1
111.08094	12.8
117.06976	3.5
119.08619	12.8
121.06522	16.8
121.10136	41.8
123.08089	24.2
123.11704	9.3
125.06010	7.0
125.09634	33.4
131.08583	13.7
133.07617	2.3
133.10147	27.2
135.08055	20.3
135.11697	11.7
137.09639	11.9
139.07550	8.8
139.11180	8.2
145.10120	6.9
147.11697	10.5
149.06006	5.9
149.09625	100.0
149.13257	31.1
151.11191	56.7
153.09109	24.5
163.11243	3.0
163.14813	15.8
165.12740	3.2
167.10718	3.0
173.13255	21.5
177.05492	4.3
191.14337	35.5
209.15399	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03956	1.7
55.01877	3.6
55.05512	11.9
57.03435	1.9
57.07064	4.6
59.04996	4.9
65.03951	1.5
67.05514	12.9
69.03437	13.9
69.07074	22.8
71.04999	6.4
79.05493	9.4
81.07063	17.3
83.04990	30.3
83.08603	8.1
85.02925	1.7
85.06547	3.5
86.02714	1.5
89.73669	1.7
91.05495	9.8
93.07053	27.1
95.04968	5.6
95.08612	42.3
97.06544	11.9
97.10184	2.2
99.04469	2.0
99.08110	3.8
101.44330	1.9
105.07044	12.9
107.04958	2.8
107.08601	59.0
109.06545	15.7
109.10158	28.8
111.08096	10.5
113.06016	3.5
117.07004	1.8
119.08614	5.8
121.06549	9.9
121.10150	42.6
123.08098	7.7
123.11708	8.9
125.06009	3.1
125.09641	18.2
131.08582	12.7
133.10147	35.8
135.08081	16.7
135.11700	42.5
137.09628	3.7
139.07533	2.6
139.11166	3.5
143.08562	1.9
145.10114	5.9
147.11676	11.1
149.05998	2.7
149.09647	11.5
149.13255	27.4
151.11201	100.0
153.09131	16.6
158.10944	4.8
163.14870	17.6
165.12672	2.0
167.10683	5.4
173.13278	22.0
191.14320	72.0
209.13484	3.7
209.15378	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.31049	0.4
53.03939	0.7
55.01870	2.9
55.05520	2.2
56.45310	0.4
57.03426	0.7
57.07082	4.5
59.05008	0.6
62.13406	0.5
62.30178	0.5
65.03930	0.8
67.05503	4.5
69.03423	1.9
69.07069	3.0
71.04981	3.2
71.31516	0.9
78.04713	0.5
78.88343	0.5
79.05498	4.9
81.03417	0.6
81.07065	7.3
83.04993	2.1
83.08617	1.6
85.02917	1.2
85.06543	1.3
91.05483	5.3
93.03408	0.7
93.07051	5.7
95.04967	4.1
95.08602	6.9
97.02928	0.9
97.06538	1.9
99.04478	1.0
99.08092	0.9
103.05463	1.3
105.07032	4.2
106.04192	2.7
107.04946	2.0
107.08600	6.3
109.06522	100.0
109.10162	7.1
110.06888	0.7
111.04466	1.2
111.08096	1.8
117.03352	0.5
117.07030	1.3
119.08599	1.7
121.06521	3.6
121.10152	3.3
123.04439	0.5
123.07204	0.8
123.08073	9.1
123.11674	0.7
125.06024	1.1
125.09633	1.5
131.04956	0.7
131.08594	4.3
133.06566	0.6
133.10133	2.8
134.03674	0.5
135.08060	19.3
135.11696	1.3
137.06049	0.6
137.09680	0.6
138.06760	0.5
139.11160	0.4
143.08636	0.5
144.42998	0.5
145.02821	0.9
145.10141	1.9
147.11705	1.2
148.08856	0.7
149.05998	3.6
149.09647	4.1
149.13272	3.6
150.10434	1.1
151.11206	3.0
153.09129	3.8
158.10938	0.9
161.09601	0.7
163.03986	0.7
163.07594	0.7
163.11168	0.6
163.14861	1.1
166.07777	0.6
167.14305	0.7
173.13266	5.0
177.05446	2.6
179.08643	0.8
181.08649	0.7
191.14304	17.5
209.04439	1.3
209.08115	1.4
209.11633	1.1
209.13399	0.9
209.15327	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03950	1.3
55.01876	3.1
55.05504	3.8
57.03426	1.8
57.07081	1.6
65.03927	1.4
67.05503	8.3
69.03436	1.1
69.07072	8.6
69.41207	7.6
71.05000	9.1
79.05500	5.6
81.07057	12.9
83.04981	4.0
85.02927	1.3
85.06546	2.4
91.05492	9.9
93.03421	2.0
93.07041	13.1
95.04974	100.0
95.08611	8.4
97.06525	7.6
99.03857	1.5
99.04461	19.0
103.05489	1.7
105.07051	7.0
106.04188	4.8
107.04977	1.6
107.08597	20.4
109.06522	25.6
109.10160	33.6
111.08057	3.3
117.07047	2.6
117.15366	1.0
119.08572	4.2
121.06492	6.5
121.10157	12.9
123.08070	2.9
123.11739	7.9
125.05994	2.3
125.09669	2.6
129.68022	1.3
131.04929	1.8
131.08554	5.4
133.10135	20.5
135.08064	11.1
135.11734	1.8
137.09671	2.4
145.02809	1.2
145.10161	4.1
147.11702	3.2
149.05994	7.2
149.09648	5.9
149.13268	10.6
151.11192	8.3
153.05473	1.4
153.09120	26.9
158.10945	1.1
163.11172	1.5
163.14804	4.6
167.14357	3.7
171.04326	1.0
173.13261	11.6
177.05496	3.6
191.14333	16.6
209.08220	2.3
209.13434	1.0
209.15366	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	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02387	0.7
52.90026	0.6
53.03736	0.7
53.03944	3.6
55.01869	6.1
55.05523	2.7
56.96568	10.3
56.96801	0.8
57.03450	1.5
60.05711	0.6
61.02938	1.1
65.03941	1.8
67.05524	3.1
69.03449	2.2
69.07085	2.8
70.06590	3.2
71.05006	0.8
71.50805	0.8
71.95294	0.8
73.02935	1.8
74.02478	1.1
77.03917	0.9
78.04711	1.0
79.05487	6.7
81.03438	1.8
81.07071	2.1
83.05004	2.0
83.08654	0.6
84.08181	0.7
84.96038	1.1
85.02928	2.2
85.06554	0.8
86.09717	1.3
89.00780	1.0
89.03926	8.1
90.01546	1.1
91.05484	21.5
93.07040	9.8
93.47379	0.7
94.06569	5.2
95.04950	5.0
95.08613	12.4
95.21627	0.7
96.08940	0.9
97.02908	2.4
97.06539	1.7
98.01309	1.1
98.97586	15.6
102.18645	0.6
103.05467	27.0
105.03404	1.8
105.04543	2.3
105.07054	2.6
106.04194	3.9
107.04953	12.5
107.08633	2.1
109.02905	1.3
109.06541	3.0
109.10161	1.0
110.01349	1.8
110.97584	1.3
116.98613	6.6
117.03371	8.2
117.04005	0.7
117.07034	2.0
118.04188	2.6
118.06548	2.3
119.01799	2.5
119.04940	9.1
120.04490	1.5
120.05730	2.8
120.08143	1.2
121.06505	31.1
121.10143	1.6
123.04459	1.9
123.11572	0.7
123.97384	1.0
124.99158	1.1
125.06025	0.9
125.09660	1.2
128.02327	7.8
128.98622	2.0
131.04933	39.1
131.08636	1.2
132.04424	0.8
133.02872	1.3
133.10114	1.1
134.03633	11.0
134.99666	1.3
135.04430	5.8
135.08061	1.5
136.07623	1.9
137.02884	1.9
137.05948	0.9
139.07538	2.2
143.00215	1.6
144.94839	0.8
145.02838	7.3
146.03633	1.5
146.06000	3.8
147.03149	2.0
147.04381	13.6
148.05196	16.4
148.07538	0.7
149.05984	48.5
149.09622	1.6
150.05443	3.6
151.03949	1.0
151.11185	2.0
153.01862	1.1
153.05478	1.3
153.09087	0.9
155.04796	1.0
158.99657	5.2
159.04424	18.8
161.01224	1.5
162.03079	3.0
163.03923	6.2
163.05975	0.7
163.07559	4.7
163.11208	0.6
164.07047	1.2
164.10716	10.4
165.05534	1.5
165.06853	0.8
166.06166	2.3
167.06984	1.8
167.14285	1.5
167.96399	1.5
173.13165	0.8
174.05537	1.8
176.04712	8.4
177.00742	4.2
177.05472	100.0
178.06015	1.6
181.08557	2.0
185.01239	0.7
188.05147	0.9
191.06999	10.8
191.14342	1.9
192.06496	0.8
194.05734	8.2
197.05751	1.3
209.04536	2.0
209.08073	42.2
209.13240	1.1
209.15363	3.6
210.11206	1.0
219.01810	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03947	12.6
55.01876	15.1
55.05516	51.3
57.03427	4.6
57.07066	2.7
65.03934	14.7
67.05509	13.4
69.03424	8.1
69.07066	8.3
71.04985	9.9
71.40598	4.6
74.98158	2.9
75.04479	12.5
77.03939	3.7
78.04726	14.8
79.05498	17.3
81.03413	7.9
81.07063	19.4
83.04983	57.4
83.08624	22.3
85.02913	11.6
85.06538	4.4
85.36142	2.6
89.03915	6.4
91.05485	59.0
93.03414	29.1
93.07058	38.0
95.04976	100.0
95.08613	9.7
97.06548	20.9
97.10197	4.4
99.04454	16.2
99.08094	2.6
103.05457	26.8
105.04539	3.1
105.07029	9.9
106.04180	81.7
107.04955	16.3
107.08591	28.7
109.06532	17.6
109.10155	20.8
111.04452	8.1
111.08086	8.7
117.03378	6.3
117.07027	3.7
118.04214	2.5
119.04943	18.9
119.08616	3.8
121.06513	90.0
121.10146	50.0
123.04433	5.5
123.08083	10.3
123.11720	8.7
125.05997	23.1
125.09655	9.3
131.04930	13.7
131.08557	5.9
133.10144	10.2
134.03625	14.3
135.04448	4.0
135.08089	10.9
135.11743	4.7
137.05981	12.1
138.06778	5.3
139.03920	21.6
139.07593	6.2
145.02876	6.2
145.06595	2.9
145.10132	3.9
147.04411	25.9
148.05188	12.3
149.05994	95.6
149.09615	9.4
149.13272	5.2
151.03941	4.8
151.07555	5.2
151.11186	25.3
153.05469	10.4
153.09109	38.0
159.04369	7.0
163.03853	4.9
163.07559	11.2
163.11217	4.1
163.14844	9.8
165.05482	18.8
166.06256	3.4
167.07059	2.9
167.14322	43.1
173.13277	7.5
176.04665	2.8
177.05478	64.3
181.07175	3.4
181.08572	19.0
191.07004	12.0
191.10611	3.0
191.14334	8.2
194.05801	4.7
209.04530	7.3
209.08058	41.6
209.09862	2.4
209.11786	7.6
209.15375	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	208.0606
Annotation	2-Formaminobenzoylacetate
Peak:m/z	Relative Intensity
51.00454	0.3
51.59747	0.3
53.00335	0.6
63.19229	0.3
65.03970	0.9
69.44363	2.0
71.01382	0.8
79.05520	0.6
84.08144	0.4
89.03940	0.6
91.05495	0.6
92.05040	1.4
93.03431	1.3
95.05003	0.3
99.00826	7.3
103.05515	0.4
106.06561	1.4
106.16161	0.3
109.06507	0.3
110.06050	18.0
111.04459	1.0
111.06375	0.3
116.05020	0.9
117.03419	1.3
119.04969	0.6
120.04471	23.6
120.08082	0.5
134.06017	5.0
136.03949	1.4
138.05516	3.0
144.04472	1.5
145.02864	1.7
148.03926	3.5
149.02386	0.8
152.07101	2.0
162.05513	100.0
163.05913	1.8
166.05016	19.7
172.03935	1.1
180.06589	4.1
190.05005	15.2
191.05357	0.3
208.04079	0.7
208.06029	10.8
208.09721	0.5
208.13803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03941	3.9
54.58612	2.3
55.05526	9.9
57.03423	5.8
57.07076	2.8
65.03949	1.9
67.05511	14.0
69.03419	2.2
69.07072	11.1
70.28155	1.9
71.04973	2.5
71.51995	2.1
77.88246	2.4
79.05502	11.7
81.07063	21.6
83.08616	3.5
83.80353	2.1
85.06543	5.6
91.05482	17.0
93.07055	30.0
95.08615	35.9
105.07032	29.2
107.07870	4.2
107.08595	58.4
108.05618	2.3
109.06516	8.5
109.10157	18.6
115.96451	5.4
116.05268	2.0
116.97194	2.6
119.08587	44.3
121.06562	3.6
121.09412	2.0
121.10145	12.3
123.08095	13.5
123.11700	8.9
126.22534	2.0
131.08594	3.7
133.10139	49.6
135.11700	100.0
137.09630	14.3
137.82085	2.5
145.10159	2.5
147.04407	2.2
147.11703	36.1
149.09593	6.5
149.13312	11.5
151.07562	2.7
151.11191	17.7
161.09669	2.1
161.13274	6.2
163.14835	14.4
165.09401	2.4
165.12732	5.5
167.29173	2.0
189.12708	4.4
189.16400	65.1
207.09839	6.8
207.12001	3.4
207.13689	11.5
207.15561	4.5
207.17455	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	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.41134	2.0
53.03951	3.2
55.05505	11.7
57.03444	3.8
57.07074	5.3
65.17194	2.1
67.05521	13.4
69.07073	13.1
71.04990	4.6
71.52508	2.3
73.29494	1.8
73.65271	1.7
74.59871	2.2
79.05493	11.6
81.07056	19.4
83.04979	5.0
83.08614	3.7
85.02924	2.3
85.06539	8.3
91.05469	16.9
93.07046	34.7
95.04974	4.2
95.08610	32.0
97.06569	2.6
100.46450	2.0
105.07028	27.5
107.07874	4.2
107.08599	69.9
109.06505	6.0
109.10167	19.1
111.08096	2.6
115.96451	6.3
117.07017	3.0
119.04954	2.2
119.08586	40.0
121.06525	2.0
121.10169	11.6
123.08106	11.6
123.11683	13.0
123.46658	1.9
131.08588	2.5
133.10144	39.7
135.11699	100.0
137.09628	11.3
145.10074	3.9
147.11687	32.2
149.09625	2.8
149.13240	9.7
151.02878	2.3
151.07567	2.5
151.11192	14.2
161.09581	2.2
161.13257	6.3
163.14845	11.4
165.09628	2.0
165.12703	5.0
171.11720	2.6
179.06578	1.8
189.12746	3.3
189.16389	73.4
190.16748	2.1
207.09650	5.2
207.11667	3.6
207.13893	8.0
207.17456	51.9
207.19423	3.4
208.17789	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.89011	2.0
53.03929	2.7
55.05518	9.6
57.07053	5.3
59.04983	3.9
59.21774	1.9
65.03938	2.2
67.05515	14.1
69.03443	14.2
69.07063	5.3
70.04939	9.1
71.04989	4.4
77.62064	1.9
79.05479	15.9
81.07066	19.5
83.04962	8.8
85.02909	21.1
85.06537	5.6
91.05490	32.1
93.07060	16.5
95.04958	6.1
95.08070	2.0
95.08609	22.5
98.21418	3.0
103.05425	2.4
104.29005	1.9
105.07037	73.5
107.04962	10.6
107.08600	25.3
109.06522	32.4
109.10159	5.3
115.05432	2.8
117.06996	13.5
119.05000	2.3
119.08588	75.3
121.06497	5.5
121.10146	34.3
123.08074	25.4
123.11709	11.7
124.69746	2.2
125.06036	3.0
125.09572	2.9
128.06210	7.9
129.06998	8.1
130.07805	7.3
131.08591	25.2
132.09357	3.3
133.06511	6.7
133.10133	15.5
135.08043	5.0
137.09636	4.4
141.06952	6.6
143.08562	15.3
145.06390	2.0
145.10120	27.9
146.07256	3.3
146.10881	7.4
147.08064	23.9
147.11699	85.4
149.09633	25.8
151.07555	13.9
156.09360	29.8
159.08102	9.9
159.11757	2.2
160.08823	4.8
161.05965	7.7
161.09595	4.4
161.13275	21.2
163.11205	18.9
165.12766	6.6
171.11728	12.3
174.10432	19.8
179.06862	3.3
189.09151	3.6
189.11086	4.0
189.12755	68.2
207.06535	2.2
207.13806	100.0
208.14021	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.61777	1.2
53.03938	1.7
55.05498	6.5
57.07061	4.6
59.05012	1.4
61.68296	1.5
62.02071	1.3
65.03940	2.2
67.05508	36.0
69.03416	5.9
69.07048	4.0
69.62231	4.9
69.62647	4.3
71.04972	2.9
79.05476	7.7
81.07046	9.0
83.04984	3.7
85.02906	9.7
85.06557	10.3
91.05486	11.4
93.07046	16.0
95.04967	5.2
95.08611	100.0
105.07035	23.2
107.04951	1.9
107.08601	23.2
109.06519	6.6
109.10162	5.9
113.06014	5.2
117.06998	2.5
119.05003	1.6
119.08587	33.2
121.06514	4.2
121.08343	1.5
121.10140	24.3
123.08072	78.0
123.11706	12.8
123.38710	1.4
125.05950	2.0
125.09642	1.6
126.45073	1.4
131.08580	7.9
133.06520	3.2
133.10110	7.2
135.08049	2.2
135.11679	2.8
137.09622	6.3
137.13225	1.9
143.08551	2.7
145.10100	3.5
147.06984	1.4
147.07922	6.6
147.11691	22.3
149.09627	72.0
150.10030	2.0
151.07536	2.5
151.14847	4.8
156.09344	5.9
159.08040	2.4
159.11726	1.5
160.08965	1.6
161.09634	3.7
161.13272	23.2
163.11206	3.7
165.09117	2.1
165.12762	17.2
171.11691	6.0
174.10452	4.9
179.14250	3.1
189.12744	28.0
207.13815	52.9
207.15773	3.0
217.23236	1.6
226.15379	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.82577	0.9
51.25321	1.0
53.03951	9.6
55.01870	3.1
55.05521	8.6
57.03433	1.7
57.07068	2.0
59.13230	1.0
60.07249	1.0
65.03948	1.7
67.05505	28.0
69.03409	1.7
69.07095	6.0
69.19233	1.8
69.19640	9.8
71.04989	2.0
77.03928	2.3
79.05498	50.5
81.03426	2.5
81.07061	25.9
83.04974	4.3
83.08601	2.6
83.62193	1.0
85.02899	1.7
85.06530	2.7
87.04494	1.4
91.05485	61.4
93.07050	100.0
95.04975	13.3
95.08624	12.7
97.06516	1.2
97.10108	1.3
98.21127	5.4
103.05443	1.8
105.04514	3.7
105.07041	33.1
107.04965	2.1
107.08598	14.0
109.06540	6.3
109.10148	1.8
115.96424	4.1
117.07002	6.2
119.04976	2.1
119.08589	20.6
121.06517	3.6
121.10140	5.1
123.08034	6.4
123.11697	1.5
127.07525	1.5
129.07010	8.6
131.08545	3.3
133.06514	2.3
133.10146	8.8
134.09679	1.2
135.08107	1.8
135.11752	1.6
136.28181	1.2
137.09583	2.1
143.08586	5.9
145.10123	10.4
147.04436	3.2
147.08051	4.3
147.11696	61.7
149.02333	2.3
149.09639	3.3
151.07562	3.5
161.09647	5.6
161.13274	8.6
163.03914	2.2
163.11139	2.6
164.04713	2.4
165.12781	1.8
171.11703	23.5
179.07071	1.6
189.05511	1.5
189.12752	15.2
192.04126	1.4
207.06541	11.0
207.09906	1.3
207.11916	1.2
207.13799	31.6
207.15761	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.66475	1.3
53.03945	10.2
55.01869	3.1
55.05512	8.3
57.03418	2.1
57.07058	1.8
58.43317	1.2
59.45957	1.2
64.48436	1.4
65.03943	1.7
67.05508	27.5
69.03422	2.9
69.07063	7.4
71.04975	2.8
71.51363	1.7
73.06536	1.5
77.03951	1.5
79.02264	1.1
79.05498	53.7
81.03424	2.7
81.07056	28.3
83.04970	5.0
83.08634	3.1
85.02901	4.5
85.06530	3.5
91.04904	1.9
91.05485	57.7
93.07047	100.0
95.04967	14.4
95.08620	13.6
97.06514	3.9
103.05480	1.9
105.04485	4.4
105.07033	36.9
107.04983	3.2
107.08597	15.2
109.06506	4.9
109.10151	2.7
115.96471	6.4
116.97192	3.0
117.07015	5.8
119.04927	2.9
119.08584	28.6
121.06505	3.0
121.10173	6.7
123.08066	10.2
123.11717	2.1
127.07513	2.1
128.06197	1.7
129.07022	11.8
131.08588	3.5
133.06517	2.8
133.10127	7.1
133.97478	2.7
135.11729	1.4
137.09616	3.1
141.78433	1.5
143.08563	7.4
145.10164	9.4
147.04411	2.7
147.08057	4.4
147.11691	62.2
149.09587	4.7
151.07545	1.7
156.09306	2.5
161.05968	3.1
161.09595	5.1
161.13252	14.0
163.11205	2.3
165.12724	1.8
171.11685	21.8
179.08612	1.5
185.34784	1.3
189.01898	1.6
189.12769	17.4
192.09315	4.6
207.02837	1.7
207.06456	6.5
207.09932	3.0
207.11691	6.2
207.13815	32.3
207.17392	3.2
208.09653	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	206.0813
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
56.92953	0.2
59.11537	0.2
62.62880	0.2
67.86173	0.2
68.99780	0.4
70.02953	1.0
70.64194	0.5
70.64529	0.4
72.03849	0.3
72.27792	0.3
84.05288	0.3
87.00839	2.4
91.05477	2.8
93.07042	3.2
103.05471	14.9
104.05018	0.2
104.05796	0.3
105.07040	0.4
112.00528	0.2
117.05752	0.2
118.06550	18.0
120.08109	100.0
121.06510	0.5
121.08443	1.0
128.04967	2.3
134.13197	0.2
135.08159	0.3
145.06532	0.3
146.06013	14.2
146.10403	0.4
160.07562	0.5
161.06003	0.5
163.11244	0.3
164.11549	0.5
188.07079	9.5
189.07558	0.2
195.41602	0.3
198.05637	0.2
206.08127	4.3
206.12587	1.0
207.13754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1024
Annotation	Casuarine
Peak:m/z	Relative Intensity
55.01869	17.3
55.05512	4.9
56.05037	22.2
56.96570	30.7
57.03439	54.2
57.07079	3.3
58.06601	32.5
59.04985	10.2
60.04520	17.3
61.02930	52.5
62.03266	3.2
65.69189	2.1
67.05508	6.2
67.83958	1.9
68.05022	12.8
69.03431	41.6
70.03742	2.1
70.06587	6.2
70.86155	6.3
71.01328	2.6
71.04990	7.4
72.08158	4.3
73.02921	29.4
74.00257	2.3
75.04462	5.9
76.07633	4.4
79.05490	3.4
80.05014	13.5
81.03405	11.0
81.07031	4.3
82.06583	4.4
82.99844	2.9
83.04996	6.2
84.04506	100.0
84.08146	3.4
84.96042	3.2
85.02913	53.7
85.06547	14.6
86.03252	3.4
86.06062	5.1
87.04471	9.1
89.00812	5.9
93.01842	2.4
94.06544	2.6
95.01306	3.9
95.04940	3.1
96.02443	2.5
96.04518	5.3
96.08134	95.3
97.02892	26.1
98.03234	2.8
98.97586	51.4
99.04456	8.3
101.00855	16.7
101.01488	2.4
101.02375	3.2
102.00975	7.3
102.05539	8.1
102.52483	4.0
103.00584	9.1
103.02296	2.5
103.03944	2.8
104.01324	2.7
106.06563	2.4
110.01299	10.4
110.02077	2.1
110.06065	17.0
110.97568	14.4
111.02966	4.2
111.04477	2.9
111.53032	5.4
112.02783	2.7
112.07641	2.7
113.00849	6.0
113.02371	27.8
114.00952	2.8
114.03745	13.8
114.05548	6.3
115.00655	5.1
115.02425	6.5
116.01270	2.7
116.02535	3.4
116.98660	15.8
117.02137	2.9
117.02931	3.7
119.01875	35.9
120.02035	12.5
120.53519	2.5
121.01652	12.5
122.06035	17.1
124.07595	57.5
126.53585	2.6
127.03918	10.6
128.02299	17.3
128.04224	3.4
128.98604	10.3
129.03012	2.7
129.03995	4.1
131.01884	15.3
132.02008	8.7
132.04427	3.8
133.01662	8.5
133.03455	7.1
134.03629	2.6
134.06036	8.0
134.99667	3.6
135.03067	5.4
136.03699	5.2
137.02875	6.8
139.02448	2.9
140.02368	4.0
140.07043	5.1
142.04996	3.9
142.08636	66.1
142.12294	18.1
143.00150	3.4
143.01898	9.2
144.02011	3.4
145.01613	5.3
145.03459	9.5
146.02428	5.2
146.03529	4.3
146.99677	7.9
147.01376	2.7
147.03105	4.1
150.02681	4.2
152.02367	3.6
152.07092	8.1
155.01889	6.8
155.02936	5.1
156.02016	7.1
157.01622	4.5
157.03468	10.2
158.99654	12.3
159.03249	4.7
160.04306	28.8
160.08533	2.0
160.09698	58.3
160.13383	6.7
161.01181	4.8
161.02968	14.4
162.03217	7.6
163.02557	4.8
164.03427	2.8
167.01918	2.7
170.00009	3.9
170.08133	65.4
170.99661	9.9
171.01355	3.0
171.05017	3.1
173.01305	3.3
173.02988	12.4
174.03195	7.0
174.04622	4.5
174.11270	4.5
175.02731	7.4
175.04468	3.2
177.00745	8.3
177.02225	2.3
178.05006	22.0
178.08656	4.2
182.99731	4.5
185.03023	16.0
186.03180	7.3
187.00986	3.1
187.02666	3.9
188.09200	30.0
188.12820	11.4
189.00735	11.4
189.02419	2.6
191.02319	4.0
191.04034	5.3
193.03773	2.4
200.01099	2.6
201.00714	14.4
201.02512	8.8
202.02690	2.6
203.04054	9.3
204.04288	4.5
205.00232	3.4
206.02650	3.7
206.04459	17.6
206.08382	4.6
206.10269	92.3
206.13843	30.7
215.00494	4.9
216.00572	4.4
217.00232	3.2
219.01753	6.9
221.05113	7.2
222.05238	3.7
223.04918	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	206.045
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
51.22709	0.2
56.96570	0.8
58.87730	0.2
67.42479	0.2
69.03421	0.4
71.18680	0.4
72.08188	0.3
83.54278	0.2
89.40249	0.2
97.02935	0.3
98.97607	0.7
104.04985	0.6
105.06979	0.3
110.97604	0.4
116.98683	0.2
132.04463	28.0
133.04816	0.3
147.04535	0.3
150.02716	0.3
151.03975	0.4
160.03946	2.0
178.05006	100.0
179.05377	1.2
182.99744	0.5
188.03450	0.4
201.00699	0.6
201.06676	0.3
206.04500	56.2
207.04747	0.6
210.78465	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	206.0813
Annotation	Doryphornine
Peak:m/z	Relative Intensity
53.03939	0.8
54.03474	1.2
55.05524	0.5
56.05050	0.6
57.07074	0.5
65.03947	2.8
67.01883	0.6
67.05508	22.3
68.05026	0.7
68.06290	0.8
69.07074	1.6
71.49921	0.5
79.05505	5.4
80.05033	0.8
81.03436	0.7
81.07064	3.0
82.02939	3.2
82.06570	0.7
82.33487	0.5
84.04522	1.8
88.03976	1.0
91.05501	1.8
93.05810	1.3
93.07037	0.8
94.06586	2.3
95.04973	14.2
95.08587	1.0
96.04488	5.2
96.05770	1.5
96.55428	0.4
103.05473	0.7
105.07034	3.2
106.06570	1.3
107.07354	4.2
107.08586	1.2
108.04463	0.6
108.08124	19.5
110.02430	0.7
110.06037	6.4
112.30697	0.4
115.05433	0.6
116.98672	0.5
117.05778	0.5
118.06541	1.3
118.07348	0.5
119.08607	0.5
120.08119	5.0
120.08935	0.7
121.06553	0.7
121.08909	0.7
122.06033	1.9
122.09683	6.8
125.05952	0.4
129.06955	0.4
132.08072	1.2
133.06473	0.6
134.06026	1.6
134.09639	0.5
135.06834	1.2
146.06015	1.6
146.10431	0.5
147.07832	0.5
147.11714	0.5
148.07512	0.6
149.02339	0.8
150.02658	1.0
150.09146	35.1
152.07072	0.5
161.05991	1.0
163.06247	0.6
178.08638	100.0
179.08975	1.5
188.06949	0.5
206.08130	64.4
206.15395	1.7
207.06549	0.8
207.08427	1.4
207.13811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1953
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
50.72958	1.6
53.03933	1.8
55.05514	12.0
56.05018	1.8
57.07082	15.0
65.03938	6.2
67.05509	13.4
68.05023	2.0
69.03434	2.4
69.05384	1.9
69.07068	28.7
79.05482	3.3
81.03419	2.9
81.07056	10.6
83.08629	7.5
84.04507	4.9
85.02875	1.9
85.04849	3.4
91.05473	5.0
93.03443	2.4
93.07045	14.5
95.04935	1.9
95.08618	24.4
96.04453	2.1
97.02883	5.8
97.04850	2.9
97.10166	6.5
98.03239	3.7
98.20814	4.6
100.89577	1.6
105.07042	3.9
107.08605	23.4
109.10165	75.3
111.11714	10.0
113.96410	2.8
117.07005	2.2
119.08599	4.5
121.02875	14.0
121.04003	2.1
121.06503	2.2
121.10149	23.2
122.07181	2.6
123.11730	7.8
126.05513	3.2
127.05839	7.4
131.08537	2.2
135.11694	23.6
136.08733	1.4
145.10110	3.3
147.06679	1.9
149.02354	100.0
149.13274	14.5
150.02675	2.1
159.11783	1.8
163.09822	2.9
163.14796	3.9
164.09320	5.3
166.70439	1.4
167.03323	1.6
177.12746	2.7
178.34331	1.7
185.73538	1.4
187.07831	1.5
205.09019	5.8
205.12189	6.4
205.14247	7.3
205.15976	5.2
205.19534	35.9
206.10063	2.8
229.06660	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	205.1952
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
53.03929	1.2
55.05272	1.2
55.05512	16.0
55.43484	0.9
56.05030	0.9
57.07076	10.7
59.99083	1.2
65.03934	5.8
67.05507	27.0
69.03410	1.3
69.07069	27.1
70.84348	1.9
79.05492	6.1
81.03406	1.3
81.07057	18.0
82.06594	0.9
83.08636	6.2
84.04488	1.7
85.02878	1.1
85.04854	1.9
88.02203	1.7
91.05489	4.1
93.03427	1.5
93.07047	14.2
94.07336	1.2
95.08611	40.0
96.63689	0.9
97.02886	3.4
97.10171	6.9
105.07039	4.8
107.08600	23.1
109.10161	100.0
110.10465	1.4
111.11728	9.7
113.60164	0.9
113.96415	1.1
119.08573	1.7
121.02861	10.1
121.03985	2.2
121.06498	2.4
121.10146	22.7
121.11032	1.4
122.07166	1.7
123.06708	1.1
123.11719	11.5
127.05847	2.3
131.08534	1.0
135.08025	1.3
135.10704	1.6
135.11702	25.1
137.13252	1.2
145.10136	2.8
147.11661	1.1
149.02350	70.7
149.05910	1.7
149.13269	17.0
150.02707	1.0
159.11671	1.6
163.09833	1.4
163.11143	2.3
163.14847	4.8
164.09363	2.9
169.07051	1.0
177.12711	1.5
187.11153	1.3
190.09926	1.2
205.08893	2.9
205.12270	6.3
205.14177	3.6
205.15982	3.3
205.19522	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(-)-alpha-Chamipinene
Peak:m/z	Relative Intensity
50.11348	1.2
53.03951	2.2
55.05515	15.7
57.07074	14.6
60.04510	1.2
65.03947	6.1
67.05508	13.5
69.06729	1.9
69.07075	25.3
71.08622	1.9
79.05499	13.8
81.03425	1.4
81.07063	58.0
83.08637	10.3
84.04503	1.7
85.02894	1.4
85.04852	1.5
91.05479	10.0
93.03408	1.9
93.07051	56.4
93.07644	2.7
95.08614	41.8
96.04478	1.9
97.02905	6.9
97.04844	1.2
97.10195	6.5
98.03208	1.5
102.81901	1.1
105.07028	6.2
105.74206	1.0
107.08604	50.8
109.02905	2.7
109.06502	2.4
109.10161	35.9
111.11703	4.3
115.05423	1.2
119.08595	3.1
121.02879	11.7
121.03973	3.0
121.10152	89.9
123.11720	16.9
127.05833	2.8
135.11700	32.4
137.13255	2.3
145.10149	2.2
149.02354	100.0
149.13271	57.9
150.02710	1.4
150.13660	1.6
163.11169	1.4
163.14827	8.0
167.03433	1.3
205.08965	1.6
205.12286	3.7
205.14241	2.8
205.15904	4.6
205.19533	35.0
206.08241	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1952
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
53.03945	1.0
55.01887	0.6
55.05516	3.6
57.07080	9.2
60.04525	1.1
61.02902	0.5
63.63418	0.4
64.54456	0.4
65.03946	5.9
66.66711	0.4
67.05515	3.0
68.05023	1.0
68.77348	0.4
69.03435	0.5
69.07070	6.3
78.97787	0.4
79.05493	4.8
81.03406	1.1
81.06588	0.9
81.07062	14.8
83.08625	3.6
84.04515	0.8
85.02905	1.4
85.04871	0.6
87.82935	0.5
91.05463	2.2
93.03410	1.5
93.07041	15.1
95.04970	0.5
95.08614	8.1
96.04502	0.6
97.02913	3.2
97.04822	1.0
97.10164	1.9
98.03193	0.6
98.20732	0.9
99.04449	0.9
105.07001	2.8
107.04929	0.6
107.08598	11.2
109.02855	1.3
109.10160	7.3
111.04435	1.0
111.11707	0.8
117.07048	0.6
119.08568	1.0
121.02870	13.6
121.03976	2.8
121.06502	1.2
121.10147	24.7
123.08127	0.7
123.11705	4.2
127.03858	0.5
127.05827	1.4
128.04239	0.5
131.08588	0.8
133.10110	0.6
135.08119	0.5
135.11693	6.6
139.05817	0.5
145.10127	1.1
149.02348	100.0
149.13260	12.8
150.02693	1.7
151.35643	0.5
159.11658	0.7
163.11188	1.0
163.14844	1.5
167.03415	1.3
169.06786	0.5
177.12758	1.2
187.07719	0.5
187.14771	0.5
190.05054	1.1
191.14267	2.7
205.04955	1.3
205.06998	0.4
205.08942	1.6
205.12460	2.7
205.14200	1.8
205.15982	1.8
205.19530	6.7
227.71626	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0972
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
69.73264	0.5
71.16766	1.5
74.02437	2.3
74.44134	0.6
91.05484	2.0
93.25501	0.5
96.50755	0.6
115.05444	3.7
117.05747	2.3
117.07005	3.1
118.06546	48.7
119.06903	0.6
130.06528	4.0
132.08107	10.9
142.05589	0.8
142.06537	5.8
143.07300	7.6
144.04466	1.3
144.08095	21.2
146.06015	100.0
147.06371	0.7
149.02342	1.6
159.09180	10.9
160.07613	1.3
170.06015	8.9
188.07077	81.6
189.07458	1.2
192.66956	0.5
205.09608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71054	0.4
50.86688	0.4
53.03954	3.5
55.01875	1.3
55.05516	100.0
56.05848	1.0
56.96568	1.2
57.03438	1.1
57.07079	4.4
58.99590	8.0
60.04526	2.3
61.04872	0.6
65.03931	2.1
67.05505	2.1
68.99768	0.6
69.03435	3.2
69.07085	0.5
71.04993	1.1
71.50868	0.5
72.08155	1.3
78.95285	0.4
79.05501	1.6
81.03426	2.2
81.07055	1.5
83.04970	0.7
83.08624	82.2
85.02924	2.6
86.99062	7.9
91.05484	3.7
93.07023	2.6
95.04959	1.9
95.08604	1.0
96.04494	0.8
97.02901	4.6
97.04802	0.5
97.06499	0.5
98.03220	0.8
98.97594	1.1
99.04446	1.3
101.09644	2.4
103.05470	0.7
105.00101	6.3
105.07031	3.3
107.04968	0.9
107.08590	2.4
109.02880	2.4
109.06529	0.8
109.10124	0.4
111.04445	0.5
115.05431	0.9
117.07018	2.6
118.06528	1.8
119.08605	2.5
119.97927	0.5
120.08115	0.5
121.02859	3.8
121.03956	0.9
121.06512	3.5
121.10155	1.2
124.80853	0.5
127.03886	1.1
127.05843	0.7
128.06210	0.4
129.06978	1.6
130.07874	0.6
131.04900	1.2
131.08553	2.9
132.08075	0.8
133.10162	0.9
135.04486	0.8
135.08028	1.1
135.11682	0.5
139.03864	0.5
140.95160	0.4
141.06982	0.5
144.05653	0.5
144.08115	0.7
144.09340	1.3
145.06442	2.6
145.10118	2.5
146.06065	3.3
147.08035	1.1
147.11652	0.4
149.02357	29.0
149.05940	2.1
149.09550	0.4
149.13112	0.6
157.10110	0.4
159.04391	1.4
159.08067	2.4
159.11717	5.1
161.06004	1.2
161.09674	0.6
163.07504	1.5
163.11217	2.2
163.96866	0.5
172.08835	0.9
173.05981	1.2
175.07579	1.0
177.05397	2.1
177.09079	1.1
177.12761	2.1
178.08662	0.7
181.97839	0.5
187.03876	0.5
187.07545	2.4
187.11143	1.9
188.07056	3.0
189.07362	0.5
190.11827	0.5
203.70854	0.5
205.04953	4.2
205.06589	0.5
205.06935	0.5
205.08530	3.5
205.12256	6.7
205.14136	1.7
205.15865	1.8
206.04468	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03945	1.5
55.05511	11.8
57.07074	1.2
60.04522	4.6
61.64308	0.9
62.59881	1.1
65.03933	1.1
67.05181	1.4
67.05511	19.3
68.05015	1.2
69.07071	10.7
70.16525	3.4
70.16944	1.8
77.22496	1.1
79.05497	12.1
81.07063	49.8
83.08619	2.8
84.04501	2.8
91.05482	15.5
93.07053	22.2
95.04985	1.1
95.08611	70.2
96.04491	1.9
97.02894	2.3
97.10192	1.2
99.04406	1.0
103.05434	1.2
105.07040	51.0
107.08601	41.1
107.41952	0.9
109.06526	1.5
109.10165	46.6
114.05523	1.6
115.05417	1.6
117.07016	3.8
119.08590	51.9
121.10152	20.1
123.11733	7.2
124.01807	1.2
126.05492	2.6
128.04411	1.0
129.07005	3.8
130.07892	1.2
131.08542	8.6
133.10139	37.7
135.11700	6.0
142.07852	2.4
143.08559	4.2
144.09305	1.0
145.10133	13.0
146.10928	2.1
147.08121	1.8
147.11700	64.2
156.09445	1.1
157.10149	3.5
159.11722	5.1
160.12383	1.4
161.09644	2.3
161.13271	22.8
170.11035	1.4
175.07596	2.0
175.11223	1.9
175.14821	9.0
185.13225	2.6
188.08432	1.3
203.06984	2.8
203.10683	4.3
203.14378	10.5
203.17978	100.0
204.08781	2.0
204.13861	3.4
204.18307	1.3
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	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03930	1.2
55.05514	4.8
57.07071	0.7
60.04512	2.7
65.03936	1.1
67.05510	18.3
68.05012	1.6
69.07067	6.2
69.35289	5.3
79.05486	7.6
81.06587	1.3
81.07063	25.8
83.08605	2.0
84.04512	3.3
85.02930	0.7
91.05487	11.4
93.06488	1.1
93.07050	20.6
95.04935	0.8
95.08612	65.7
96.04491	3.0
97.02896	3.3
97.10149	1.4
101.16763	0.7
105.07037	43.8
107.08600	37.5
109.10162	38.5
114.05548	2.3
119.08590	32.0
121.09322	1.3
121.10150	17.8
123.11693	6.1
126.05515	4.1
131.08556	1.2
133.10138	24.2
135.11694	2.9
145.10129	2.4
147.11696	44.8
159.11705	1.4
161.09631	1.1
161.11983	1.3
161.13258	16.2
175.14844	9.3
203.05011	0.8
203.10715	2.1
203.14381	2.2
203.17966	100.0
204.08690	2.3
204.13846	2.1
204.18303	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.82588	1.0
55.05521	7.6
56.04982	1.0
57.07078	5.1
60.04525	7.8
61.02903	1.4
67.05511	17.0
67.69351	0.9
68.05035	2.6
69.03470	1.1
69.07079	15.5
69.44202	6.6
79.05505	10.4
81.07064	33.9
83.08616	4.8
84.04512	8.2
85.02909	1.4
91.05490	16.7
93.07049	16.0
95.04981	1.8
95.08615	42.9
96.04491	8.1
97.02888	5.8
97.10165	1.5
99.04449	1.3
105.07042	100.0
106.07384	1.3
107.08604	23.4
109.09471	2.1
109.10168	30.1
110.06081	1.5
114.05531	4.9
117.07055	2.3
119.08596	51.5
120.08861	1.2
121.10139	13.8
121.34477	1.2
123.11729	6.8
126.05521	7.5
129.07024	1.8
131.08528	6.0
133.10146	43.7
135.11699	4.7
144.06630	1.3
145.10152	5.2
147.08171	1.5
147.11700	68.9
157.10216	2.7
159.07977	1.1
159.11714	4.3
160.12439	2.7
160.52139	1.1
161.06058	1.4
161.09627	3.1
161.13269	24.6
168.06561	1.7
171.79843	1.0
174.14127	1.0
175.14871	9.1
185.09677	1.5
187.42331	1.2
189.11497	2.1
203.10690	3.8
203.14415	7.2
203.17978	84.4
204.08649	4.8
204.10474	1.3
204.13872	7.1
204.18246	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03944	2.8
55.05514	15.0
56.05035	2.8
57.07070	11.5
67.02970	3.1
67.05508	16.5
67.31544	2.0
68.05009	3.3
69.07070	13.9
71.51986	2.6
74.77425	2.3
79.05474	5.2
81.07063	15.4
83.08607	6.0
84.04517	10.8
85.02906	2.9
85.41592	2.1
91.05488	17.2
91.26355	2.2
93.07049	9.2
95.06094	2.7
95.08060	3.7
95.08613	46.5
96.04494	7.7
97.02871	7.4
97.10177	4.5
105.06400	4.1
105.07040	52.5
107.08590	19.8
109.10157	28.9
110.07245	2.2
114.05549	3.8
117.07048	3.7
119.08586	63.4
120.05619	4.0
121.10139	18.0
123.11687	3.0
126.05547	12.7
133.10139	63.5
133.89268	2.4
135.06700	5.2
135.11717	3.3
144.06570	4.7
145.10123	15.0
147.11693	91.2
149.27954	2.4
159.11708	5.3
159.39784	2.3
160.12511	7.5
161.08249	9.1
161.13264	48.3
162.08566	9.7
163.09840	2.1
175.14821	8.5
186.07640	3.2
188.15742	3.3
203.10655	8.3
203.14297	3.5
203.16049	5.0
203.17966	100.0
204.08612	9.4
204.13879	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	203.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06576	6.7
70.41478	6.6
70.96459	2.1
96.42464	1.8
101.00879	4.4
116.07091	3.9
118.89203	1.7
119.01923	3.3
127.50283	2.4
133.23471	2.0
143.01906	4.4
161.02975	7.9
198.53340	1.8
203.05281	100.0
203.15028	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	203.0524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91380	1.5
53.03944	2.1
55.01878	9.1
56.96568	50.5
57.03440	29.9
58.99877	3.0
59.05007	9.5
60.04531	3.5
61.02923	12.0
62.09912	1.7
62.32845	1.9
67.51434	1.7
68.98300	2.0
69.03432	14.0
69.82213	3.3
69.82621	7.7
69.83030	2.0
70.06599	27.7
70.98112	5.0
70.99856	3.2
71.04986	6.3
71.06126	12.3
71.95265	6.3
72.08156	9.6
73.02919	11.5
75.04458	2.5
81.03427	6.4
82.99831	10.8
83.04963	1.9
84.04522	3.9
84.08157	7.8
84.96045	5.5
84.99673	1.7
85.02914	15.6
85.06525	2.0
86.06098	1.9
86.09689	2.4
87.04456	3.4
88.08766	5.7
96.31382	2.1
97.01397	2.8
97.02891	15.5
98.21455	2.4
98.97591	80.8
99.04464	5.4
101.00883	81.5
102.00951	3.2
102.05528	2.2
103.00642	4.7
103.02418	2.7
105.00356	2.7
106.02670	2.6
110.01295	2.3
110.97583	7.6
111.02965	5.2
112.99162	14.2
113.00861	16.3
115.02467	10.6
115.03136	2.3
115.03896	2.4
115.08688	2.3
116.07101	17.8
116.98630	31.5
117.02185	2.8
117.03962	3.9
118.00986	2.7
119.01923	97.0
120.02068	3.6
121.01656	6.1
122.02150	2.3
124.95512	5.0
126.05464	3.1
127.02397	3.9
127.03924	8.6
128.02377	4.7
128.98602	6.2
129.03979	3.4
131.00192	12.2
131.01881	28.9
131.02812	1.8
131.04575	2.1
131.05547	6.1
133.03487	20.6
134.99637	4.8
135.03203	3.8
137.02977	8.8
139.02473	5.2
140.03229	3.2
140.04985	10.8
140.98555	3.0
142.96515	6.3
143.00175	5.7
143.01897	55.0
144.03586	2.1
144.06586	2.3
145.03465	16.1
145.04994	2.7
146.03552	2.3
146.99695	2.9
147.01375	5.3
147.03146	2.5
147.05022	3.8
149.01219	4.3
149.02901	4.3
149.06625	5.5
151.04524	3.3
155.01880	10.0
157.01781	1.9
157.02318	2.1
157.03468	18.5
158.12866	3.7
158.99672	5.5
159.05048	3.6
161.02962	100.0
161.06644	3.3
162.03099	2.4
163.02695	2.1
167.01962	3.7
170.96001	7.0
170.99725	2.9
171.01437	3.1
171.02945	5.6
172.10797	5.3
173.01326	4.3
173.02950	23.7
173.06606	7.6
174.99220	3.3
175.02831	2.4
175.04475	4.7
177.00694	3.5
179.02333	3.0
179.03995	6.9
185.01274	3.5
185.02910	16.3
185.06679	2.8
188.97096	14.5
189.00739	2.4
191.02408	3.8
191.04034	16.6
193.00172	2.1
201.00690	2.7
202.98746	2.7
203.03951	13.0
203.05319	51.1
203.07684	11.8
203.15051	6.6
204.13481	3.5
221.05066	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	202.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.3
55.01867	0.9
55.05317	0.7
55.05518	8.4
56.05040	20.3
58.99589	29.9
68.05023	1.7
69.07059	0.9
70.06574	0.8
70.75935	1.6
70.76285	1.3
73.02924	1.0
74.00660	2.1
76.02232	7.7
79.05497	31.9
81.06593	1.3
81.07059	24.5
82.06199	0.8
82.06586	9.1
82.19305	0.8
82.98074	0.8
85.01134	100.0
86.00655	15.0
86.99060	17.8
87.02691	1.5
88.02206	3.5
88.03996	2.8
94.06546	1.3
95.04940	1.5
95.08651	0.9
96.08119	3.0
97.01159	0.9
97.08918	7.0
98.09698	30.6
100.00328	0.8
105.00108	7.4
105.04556	1.1
105.07021	1.5
110.09677	2.0
113.04236	40.3
120.01152	2.9
122.09731	1.8
130.06960	0.9
131.01614	1.5
132.01166	12.6
139.05780	1.1
152.30447	0.9
156.08432	7.2
160.07561	2.4
166.77425	0.9
185.06366	4.7
202.08965	12.0
202.12895	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03938	2.5
55.05498	4.1
56.92084	1.0
57.07059	3.1
59.18535	0.9
67.05507	11.5
67.68373	1.0
69.07073	9.0
69.42814	8.0
69.43225	1.7
70.12691	1.0
77.05115	1.1
79.05496	9.8
81.06594	1.6
81.07062	25.0
83.08607	2.4
91.04982	1.3
91.05494	16.6
93.06487	2.0
93.07053	33.2
95.04996	1.5
95.08613	26.2
98.20726	1.9
105.07034	34.7
107.07874	2.3
107.08600	33.5
109.10161	7.4
115.05472	3.1
116.06213	1.0
117.07029	14.8
118.96730	1.5
119.08596	22.8
121.09316	1.6
121.10155	15.7
129.07001	6.7
130.07780	6.8
131.08582	38.1
133.10136	11.9
142.07770	1.7
143.08571	7.7
144.09352	9.9
145.10132	100.0
146.10980	5.3
147.11652	1.2
157.10143	7.9
158.10912	4.9
159.11705	70.7
160.12137	1.8
171.11668	3.3
172.12361	1.4
173.13274	24.3
186.14027	2.3
201.16400	97.7
202.16843	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	alpha-Calacorene
Peak:m/z	Relative Intensity
55.05515	0.5
57.07080	4.5
67.05510	1.0
69.07089	0.4
71.08633	5.6
71.21607	0.3
71.51545	0.3
75.61926	0.3
79.05498	0.7
81.07054	1.6
81.45470	0.3
91.05493	2.7
91.14049	0.3
93.07043	0.8
95.08616	0.5
98.21165	0.3
103.05475	0.5
105.07030	11.4
106.07307	0.4
107.08597	1.0
109.10148	0.6
115.05476	0.6
116.06243	0.5
117.07018	5.1
118.96780	0.6
119.08598	1.7
121.10107	0.4
127.03893	0.7
128.06232	0.8
129.07019	2.0
130.07802	5.2
131.08578	12.6
133.10187	0.4
141.07031	0.3
142.07803	0.4
143.08571	2.8
144.09360	1.9
145.10129	100.0
146.10400	1.4
155.08493	0.4
157.10100	1.6
159.08098	0.8
159.11702	19.3
160.12030	0.5
173.09753	0.4
173.13248	1.1
177.98163	0.5
188.39238	0.3
201.09157	0.6
201.12790	1.4
201.16386	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	199.133
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.06756	1.5
55.05515	29.3
56.05835	2.0
57.03424	2.3
57.07081	11.7
67.05494	3.1
68.02290	1.6
69.07065	5.8
70.12157	1.6
70.12492	6.4
71.08605	1.6
72.04504	1.8
74.09721	21.1
79.05484	5.8
81.07088	7.1
83.05000	8.7
83.08629	5.6
85.06557	4.0
91.05478	4.9
93.07050	11.9
94.13216	1.7
95.04955	3.1
95.08611	10.1
97.06533	6.7
97.10151	2.5
100.07629	6.0
101.10888	1.6
104.48914	1.4
105.07046	5.2
107.08593	17.0
109.06530	4.6
109.10151	2.7
111.04446	100.0
111.08076	3.0
116.97196	8.9
119.08585	1.9
121.06547	1.5
125.06003	24.6
127.07539	1.6
129.06993	2.8
131.99597	2.6
134.95872	2.8
135.08067	17.9
135.11664	17.5
139.07571	4.6
140.04683	1.8
142.07764	2.1
143.08609	3.8
145.10127	16.1
152.37589	1.6
152.96999	1.9
153.12791	3.2
157.10123	5.3
163.11183	18.0
163.75255	1.6
165.11766	1.4
171.11668	3.5
172.42143	1.5
175.98564	6.7
179.71442	1.7
181.12239	22.4
199.07675	2.1
199.11206	3.2
199.13257	1.9
199.14955	10.3
199.18903	79.4
201.28648	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.7
55.01872	23.9
56.96558	7.4
57.03440	100.0
58.03767	3.8
59.04992	13.1
61.02935	29.3
68.98305	3.8
69.03437	49.1
70.02806	3.5
70.03097	14.2
70.99838	5.6
71.04983	4.2
73.02919	63.6
75.04495	5.1
81.01913	3.3
81.03423	14.0
82.99866	9.3
85.02908	67.1
86.03714	4.4
86.72201	2.6
87.01913	5.0
87.04482	14.6
88.02658	3.8
89.00818	3.3
92.14883	3.0
93.01889	10.5
94.02669	10.0
96.02410	4.9
97.02898	60.9
97.95905	3.1
98.97587	25.0
99.04468	17.0
100.02654	11.1
101.00272	5.3
101.00892	57.6
101.02388	3.4
102.02426	12.6
103.00677	4.9
106.02654	4.5
108.02399	9.2
109.02912	6.4
110.01253	6.6
110.97550	5.1
111.02940	24.8
113.00887	23.8
114.02420	6.0
115.02428	10.9
115.03176	5.6
115.03937	5.6
116.98598	3.8
117.02901	7.2
118.03673	4.5
119.01922	46.2
120.02290	3.2
121.01717	4.4
121.03197	7.5
123.02894	21.5
124.03801	3.1
126.03464	4.3
127.02392	7.4
127.03954	19.4
128.02385	6.8
128.98657	6.5
129.00340	3.4
129.02945	18.3
129.03842	4.2
130.03749	3.4
131.01913	39.3
132.03435	13.9
133.03452	7.0
134.05974	3.1
135.02856	6.3
136.03664	9.2
136.07596	15.3
138.03444	17.1
138.53485	5.0
139.02396	7.4
140.02242	4.0
141.03972	6.2
141.24725	3.0
142.01163	5.0
143.01897	55.6
144.02252	3.2
144.03439	10.7
145.03391	18.5
146.02341	3.7
146.03406	3.4
146.05951	4.2
146.99635	5.0
147.01404	7.9
147.03946	8.4
151.04247	5.8
152.07077	7.0
153.03986	11.9
153.06583	6.6
154.04738	3.6
155.01889	46.4
155.03041	3.0
157.01642	3.1
157.03461	34.6
158.99663	6.9
161.02966	52.2
162.03096	6.7
162.04416	5.1
163.08667	5.8
164.07120	4.6
165.03946	4.7
167.01921	12.6
170.99701	4.5
173.02966	62.9
174.03134	6.4
174.04472	4.6
175.02864	3.1
175.04517	10.5
177.00697	4.5
181.09770	10.3
182.08124	65.5
183.05043	5.3
185.02974	64.8
186.03136	7.9
187.04506	12.1
189.00761	4.4
191.03960	8.7
197.03020	7.6
199.10785	8.0
203.04045	36.7
204.04166	6.1
211.04530	3.2
215.04039	4.3
217.73662	3.4
219.01900	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	199.0604
Annotation	3-Methoxy-4-hydroxymandelate
Peak:m/z	Relative Intensity
53.03924	1.1
55.01874	2.3
55.05491	0.9
56.96574	1.5
57.03416	0.5
57.93539	0.7
65.03949	3.0
67.01871	0.4
67.05483	0.9
69.03397	1.2
69.07058	0.7
69.90930	1.1
70.06564	0.8
71.04990	0.4
72.04507	0.4
73.01154	0.3
73.02895	0.8
74.09715	2.4
75.94611	0.4
79.05503	2.4
81.03400	0.6
81.07033	1.1
83.04937	0.4
83.08594	0.3
85.02895	1.2
89.06005	0.4
91.05480	2.6
93.03411	4.2
94.04195	1.6
95.04976	2.6
96.04532	0.3
97.02878	1.2
97.06538	1.6
98.97588	2.0
99.04453	0.4
100.07600	1.0
107.04945	0.3
109.02885	0.3
109.06470	0.5
110.03680	0.6
110.97562	0.8
111.04446	2.7
116.97234	5.1
116.98598	1.0
121.02860	4.0
123.04439	1.1
125.02374	1.8
125.06001	5.6
125.06907	0.2
128.98685	0.4
131.99582	1.4
134.05887	0.3
134.95901	1.1
135.08038	0.4
136.07613	0.9
137.02382	0.3
137.05972	1.5
139.03940	0.7
140.04694	8.7
143.00230	0.3
146.99658	0.4
152.07039	0.4
152.96959	1.2
153.05472	100.0
154.05843	1.4
154.08669	0.4
155.07101	1.3
157.97563	0.7
163.08687	0.4
164.06972	0.4
175.98535	3.6
181.04956	9.6
181.06540	0.6
181.09840	0.5
182.08116	3.0
182.09375	0.3
187.04480	0.5
187.54208	0.7
197.01311	0.3
199.02551	0.4
199.05966	1.0
199.07655	0.7
199.11188	0.7
199.18898	9.4
212.02335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1538
Annotation	trans-Acetate-1-methyl-2-(1-methylethenyl)-cyclobutaneethanol
Peak:m/z	Relative Intensity
53.03944	2.2
55.01864	5.2
55.05514	28.8
56.46652	1.1
57.03427	4.6
57.07084	5.6
65.03944	1.2
67.05508	40.8
69.03431	3.5
69.07072	26.4
69.49014	7.8
70.95876	7.1
71.04998	14.7
72.93789	3.1
79.05500	23.2
81.07060	81.8
82.43885	1.0
83.04986	7.8
83.08622	20.6
85.02877	1.5
85.06552	18.3
91.05488	23.9
93.07049	28.7
95.04981	4.6
95.08612	100.0
97.06534	28.9
97.10184	7.7
98.20804	2.3
99.08107	6.1
100.07575	1.5
105.07037	32.9
107.08598	23.7
109.06549	7.1
109.10175	9.3
111.08079	8.2
111.98501	7.2
113.06029	1.7
115.07559	2.2
117.06999	1.6
118.31074	1.4
119.08591	36.2
121.10139	12.1
123.08080	9.4
125.09637	2.0
126.00410	1.1
127.07557	1.2
129.99521	3.1
132.95848	16.4
133.10149	28.3
135.11703	23.5
137.05988	4.2
137.09656	4.7
137.13266	21.6
141.06967	1.9
141.09113	1.4
150.96916	13.8
151.03938	2.7
151.07596	2.0
151.11258	2.3
151.14807	1.6
154.06273	2.1
155.08551	3.8
155.97403	8.2
156.09297	2.3
161.09642	3.8
161.13258	56.5
165.05392	1.4
167.08586	3.6
169.08757	1.2
169.10175	4.3
173.98506	10.3
179.10719	9.7
179.14307	28.7
182.10988	5.6
195.20575	1.3
197.04333	2.0
197.08084	1.4
197.09628	4.1
197.11697	5.8
197.13284	10.5
197.15399	10.2
198.18541	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	197.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.5
53.59771	0.9
55.01873	4.6
55.05515	23.0
63.48613	0.8
67.05496	2.6
69.03436	3.2
70.57049	3.3
70.95865	5.9
71.01360	0.9
72.93797	2.2
79.05508	4.6
81.07059	14.1
85.52212	0.8
91.05489	3.6
93.07047	3.5
94.24567	0.8
95.04983	2.5
95.08598	1.9
97.06541	8.1
99.04458	10.8
105.07027	7.4
107.08616	6.3
109.06531	9.6
109.10201	2.0
111.04446	1.7
111.98497	5.7
113.59087	0.8
119.08640	1.3
123.08196	1.2
125.06002	100.0
126.06419	0.9
127.03925	38.0
128.06204	1.0
129.99483	1.0
132.95866	10.1
133.10133	8.7
135.11691	2.0
137.05986	83.4
137.09598	2.4
141.07014	2.3
143.08562	2.2
150.96892	6.7
151.03908	1.2
151.11194	2.0
155.97438	6.0
161.09616	12.5
169.10190	0.8
173.98514	4.9
179.10677	12.6
197.05960	4.0
197.11740	8.1
197.13326	1.6
198.18524	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	197.1175
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
50.40738	0.9
51.46779	0.9
55.01877	8.6
55.05273	1.5
55.05515	18.4
57.07069	2.2
61.87746	1.0
65.03936	1.2
66.70728	0.9
67.05517	5.2
67.89512	1.0
69.03416	4.4
69.07075	2.9
70.95872	14.2
71.04968	1.8
71.27615	1.2
71.27942	1.4
72.93797	6.8
79.05520	6.5
81.07061	25.3
83.04971	1.7
83.08621	2.1
85.02955	1.2
88.96890	2.3
90.94804	1.8
91.05484	10.1
93.07050	11.8
95.04980	4.7
95.08621	2.8
97.06542	6.6
99.04471	11.2
101.07186	0.9
104.31654	1.4
105.03397	2.8
105.07040	12.6
107.04940	1.0
107.07877	1.5
107.08604	25.5
109.06528	12.1
109.10162	9.6
111.04433	3.6
111.98475	13.1
113.05921	1.2
113.96400	1.6
114.94769	1.4
119.04977	1.1
119.06056	1.3
119.08624	5.3
121.06507	3.9
123.04423	1.4
123.08075	3.2
123.11710	2.3
125.06001	73.7
126.06308	1.4
127.03926	26.4
128.06183	1.8
129.99507	3.5
132.95842	26.7
133.10135	22.8
135.08101	1.8
135.11693	12.5
137.05988	100.0
137.09601	12.9
143.08554	3.9
146.07285	1.5
150.96912	17.9
151.03896	3.4
151.07530	3.8
151.11166	4.7
155.97417	13.6
161.09641	15.8
169.10406	1.5
173.02472	1.2
173.98509	14.6
179.10689	33.3
197.05994	3.2
197.09891	2.0
197.11723	23.0
197.13280	2.0
198.18567	10.1
212.54311	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03946	1.5
54.64472	1.3
55.01875	2.3
55.05518	8.6
59.04996	2.4
67.05515	6.2
69.03416	3.1
69.07056	3.3
69.91915	5.0
70.95860	1.6
72.93777	2.3
75.38390	1.2
78.52216	1.1
79.05516	6.5
79.05891	1.6
80.12647	1.0
81.07052	8.4
91.05480	20.6
93.07049	24.6
95.04969	7.3
95.08585	3.7
95.13161	1.0
97.06565	2.0
98.21494	2.2
98.97569	1.5
99.04437	1.4
105.06319	1.6
105.07034	31.6
106.73058	1.1
107.04930	1.5
107.08597	67.1
109.06528	7.1
109.10159	6.7
111.98463	3.3
119.04932	1.5
119.06045	1.4
119.08595	9.5
121.06508	6.5
121.10100	1.2
123.04408	2.4
123.08080	1.8
123.11682	2.2
125.05988	20.3
127.03923	5.6
131.08617	1.6
132.95805	6.8
133.10133	75.5
135.07994	1.5
135.11694	56.0
137.05988	16.8
137.09598	5.4
143.08490	2.0
146.07274	2.0
150.96953	3.3
151.11209	7.4
155.97429	2.3
161.09630	34.0
161.10951	2.4
173.98506	2.4
179.10674	100.0
180.11046	1.5
197.11732	62.6
197.72783	1.2
198.18527	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03949	1.7
55.05509	3.0
57.07077	1.2
59.04995	2.1
65.03946	1.5
67.05502	5.0
69.03420	1.5
69.07071	2.2
69.62675	4.4
70.95881	1.1
72.93771	1.4
76.69195	0.7
77.03919	0.7
77.85732	0.6
79.05492	5.5
81.07062	6.0
83.05003	0.9
91.05482	20.1
93.07049	26.8
93.07638	1.7
95.04963	7.7
95.08604	3.7
97.06526	0.7
101.68778	0.7
105.04546	0.7
105.07032	30.5
107.04979	1.0
107.08597	67.6
109.06523	5.7
109.10162	6.7
111.98463	1.9
117.07041	1.2
118.07792	0.8
119.04961	1.6
119.06084	2.2
119.08581	8.7
121.06519	5.8
121.10151	0.9
123.04475	4.2
123.08055	0.8
123.11719	4.2
128.06221	1.2
131.08577	2.7
132.95844	2.7
133.10136	75.4
134.10396	0.9
135.08051	1.9
135.11693	55.6
136.71402	0.7
137.05980	2.4
137.09612	5.0
143.08524	1.6
146.07262	1.9
150.96870	1.4
151.11133	4.8
155.97459	1.1
161.09630	33.7
166.47385	0.8
167.10591	0.8
168.85388	0.6
170.25883	0.7
173.98474	1.0
179.10678	100.0
180.11136	1.2
197.11739	69.3
198.18596	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
55.01827	1.4
55.05475	1.9
61.02887	1.5
67.05462	3.9
69.03393	2.2
69.07037	1.7
70.95846	1.4
71.18442	1.8
73.02883	1.6
78.60914	1.2
79.05482	8.3
81.07074	6.8
91.05492	14.4
93.07050	18.9
95.04915	2.0
95.08550	3.5
97.06487	2.1
105.07038	27.2
107.03857	1.2
107.08601	100.0
109.06462	3.4
109.10170	5.6
111.98434	1.7
119.04914	1.6
119.08589	14.8
121.06489	1.5
121.10157	15.3
123.08015	2.5
123.11683	2.7
131.08485	3.4
132.95758	3.5
133.10139	64.6
134.20732	1.2
135.11635	3.5
136.11092	1.4
137.05902	2.9
137.09564	2.7
139.07573	2.8
140.26561	1.2
143.08525	2.2
146.07251	1.4
149.09644	9.2
150.96790	2.0
151.07462	2.9
151.11188	18.3
155.97295	1.6
161.09619	18.4
167.10693	25.8
173.98500	1.8
179.10649	36.0
179.11929	1.3
196.68883	1.4
197.11591	49.4
199.45242	1.1
208.85660	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.03180	0.3
52.55166	0.3
53.03930	0.7
55.01874	3.0
55.05485	0.2
65.03944	2.3
67.05507	1.9
69.03445	0.5
69.14923	2.5
69.15321	0.4
70.95868	4.6
72.69662	0.3
72.71950	0.3
72.93785	2.0
73.02919	18.7
73.75488	0.2
77.03915	0.4
80.03210	0.2
81.03381	0.3
81.07043	0.9
83.04967	0.3
85.02909	0.3
88.96894	0.4
89.03907	0.4
91.05485	3.2
93.03401	1.6
93.07055	0.4
94.04169	0.3
95.01315	0.4
95.04959	1.3
95.08644	0.4
97.06552	0.4
98.20784	0.5
103.91736	0.3
105.04513	0.5
105.07036	0.7
106.65619	0.3
107.08584	0.9
108.02105	2.3
108.39989	0.2
109.02897	0.4
109.06498	1.2
110.03661	2.6
111.04464	1.6
111.98476	4.2
113.96425	0.5
114.94815	0.3
119.04949	1.6
123.04386	0.6
125.05998	14.3
127.03903	0.3
129.99512	1.1
131.96155	0.3
132.95834	9.3
133.10133	0.6
135.11656	0.5
136.01572	0.4
137.05995	2.1
137.09612	0.4
141.05467	1.9
149.05989	2.8
150.96896	6.9
151.03917	100.0
151.05031	10.5
151.07445	3.6
152.04269	1.2
155.97426	5.1
160.21971	0.3
161.09734	0.4
165.05438	0.4
173.98488	4.7
179.07034	17.7
179.10577	0.7
197.04460	0.5
197.06256	0.4
197.08109	5.2
197.11760	0.5
198.18520	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	197.0811
Annotation	Methyl everninate
Peak:m/z	Relative Intensity
50.04375	0.7
51.02370	1.0
52.30008	0.5
53.03936	2.7
53.35739	0.6
55.01865	2.4
55.05512	1.8
55.93518	0.9
56.96572	6.1
57.03437	1.4
65.03944	3.7
66.04733	0.6
67.05508	3.0
69.03421	2.6
69.07056	2.0
70.06596	0.9
70.53207	1.4
70.95868	15.7
71.04987	1.1
72.93790	9.4
73.02913	1.1
77.03933	5.8
79.05500	11.5
81.03416	1.4
81.04546	2.3
81.07066	9.0
83.04977	0.9
84.04515	3.7
84.08141	1.0
84.96024	1.0
85.02900	2.6
86.09708	2.7
88.61492	0.6
88.96897	1.9
89.11362	0.6
90.94834	1.5
91.05488	42.2
92.05796	0.8
93.07055	2.0
94.04197	8.3
95.04990	5.5
95.08626	4.6
97.02892	2.4
97.06528	0.7
98.97585	9.8
99.04463	0.7
100.06110	0.7
105.03400	27.4
105.04464	1.3
105.07043	2.0
107.04970	5.1
107.08588	2.8
109.06523	32.5
110.97577	1.5
111.04453	1.3
111.98486	16.7
113.96416	1.5
114.94804	0.8
116.98633	3.0
119.01824	1.1
119.04956	10.9
121.06512	0.7
122.03660	11.0
123.04436	2.3
124.07590	0.6
127.03917	1.1
128.02312	3.1
128.98619	1.0
129.99519	6.3
132.95847	30.7
133.02863	100.0
133.10136	2.5
134.03275	1.1
135.04428	4.4
135.11682	1.5
136.93100	1.2
137.05984	74.5
138.06332	0.8
146.99655	0.7
147.03284	1.1
147.04422	3.3
147.05513	0.8
149.78230	0.6
150.96898	35.0
151.03897	2.7
151.07524	1.3
153.05481	2.6
154.06317	0.7
154.94225	1.3
155.97440	20.4
155.98749	1.0
158.99670	2.7
161.07138	1.5
161.09660	0.9
165.05487	36.6
167.07045	3.2
168.97975	0.8
169.10631	1.0
172.95305	1.4
173.98505	22.0
177.00737	1.8
179.08260	1.0
179.10596	2.9
182.05803	1.2
190.96466	0.8
196.91881	0.8
197.04463	1.1
197.06302	0.6
197.08057	3.6
197.09917	0.6
197.11723	2.3
197.13245	1.0
198.18549	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	196.037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49434	10.4
52.83944	10.0
56.96561	26.1
57.03445	55.7
61.02924	30.8
69.03418	26.1
70.06593	10.1
71.32468	24.1
73.02924	32.8
81.03413	21.3
85.02902	29.4
97.02880	29.6
100.02538	15.4
101.00895	44.5
110.93494	10.2
110.97617	11.3
111.02941	15.0
113.00905	31.1
115.02455	16.5
119.01913	72.4
120.29308	11.1
126.98779	12.0
127.03964	15.6
131.01936	51.7
131.96178	12.8
133.03476	16.0
135.02972	12.2
137.02779	13.7
137.05885	11.0
143.01933	31.2
145.03510	26.9
149.03070	12.2
155.01889	54.8
157.03427	12.8
161.02957	16.8
168.10245	64.3
173.02971	100.0
185.02982	22.5
187.06537	9.9
191.04027	17.8
196.04524	16.4
196.06079	27.4
196.09744	43.1
197.03061	11.0
203.04013	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	195.1746
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03936	3.2
55.01876	5.8
55.05515	33.1
57.03437	8.9
57.07080	6.5
59.04994	1.6
65.03941	1.2
67.05515	12.2
69.03436	15.7
69.07072	87.5
69.36193	9.1
71.02197	0.9
71.05003	7.0
71.08622	1.2
73.06552	3.1
79.05502	22.5
81.07063	45.6
83.04976	9.9
83.08619	16.6
84.38210	1.0
85.06552	14.8
89.03912	6.2
91.05491	13.2
93.03390	1.2
93.07050	59.0
95.04967	3.0
95.08614	27.5
97.06536	54.8
97.10172	14.4
99.08116	4.1
103.05486	1.3
105.03405	1.8
105.04540	1.7
105.07048	15.9
107.04955	3.0
107.08602	49.8
109.06519	3.1
109.10151	11.6
111.08092	19.0
111.11726	3.3
117.03381	11.2
117.07030	2.5
119.08574	8.4
119.80302	1.1
121.06501	4.2
121.10151	100.0
123.08051	5.3
123.11707	9.2
125.05976	1.3
125.09637	30.3
131.08563	3.8
133.02809	2.5
133.10138	2.8
134.03654	1.7
135.04445	2.0
135.08078	3.3
135.11691	21.2
137.09613	3.5
137.13257	9.8
139.11183	23.2
144.09351	1.4
145.02856	19.5
147.11646	2.4
149.02269	1.2
149.04962	1.1
149.05972	7.2
149.09683	3.0
149.13275	23.2
151.11215	1.6
151.14859	2.2
153.09137	1.2
153.12746	2.5
155.08504	1.1
159.11691	10.3
163.03871	1.7
165.06989	1.2
165.12743	3.4
166.76611	1.0
167.08722	1.1
167.14366	1.3
167.88693	1.1
168.10205	1.2
177.05487	21.5
177.12767	21.8
177.16356	15.0
180.09329	1.6
192.86490	1.1
195.02927	8.7
195.06520	2.3
195.10184	1.4
195.11949	1.7
195.13826	18.5
195.15590	2.3
195.17471	25.9
208.77840	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1747
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03944	3.9
55.01879	10.1
55.05273	2.3
55.05517	38.8
57.03447	12.4
57.07077	11.5
59.05001	1.8
65.03944	3.3
67.05508	19.6
68.99797	14.3
69.03438	17.1
69.07074	100.0
70.69009	3.4
71.04999	6.8
71.08642	2.8
71.41396	1.7
73.06544	4.7
77.03949	1.9
79.05068	2.7
79.05495	29.5
81.03441	2.1
81.07063	52.6
83.04984	15.6
83.08625	24.6
84.08136	2.0
85.06551	11.9
85.10179	7.0
89.03927	16.3
91.05492	19.3
93.07049	67.2
95.04981	4.8
95.08611	36.4
97.06532	46.6
97.10174	19.3
98.97562	3.6
99.08121	2.4
103.05446	1.7
105.03387	3.3
105.04510	2.9
105.07047	14.4
105.45616	1.6
106.04237	2.1
107.04934	5.3
107.08601	57.3
108.08958	2.1
109.06526	4.1
109.10173	14.6
109.99053	1.7
111.04453	3.2
111.08089	22.5
111.11707	5.2
117.03403	23.9
117.07028	3.5
119.08572	8.1
119.99990	1.4
121.02871	3.5
121.06512	6.5
121.10151	86.8
123.08047	3.6
123.11722	11.9
125.05998	4.6
125.09636	41.7
130.96327	1.6
131.08583	5.1
133.02849	4.1
133.10168	5.7
134.03633	5.4
135.04434	6.0
135.08057	7.9
135.10693	2.5
135.11700	38.2
137.09601	6.9
137.13260	12.6
139.07571	3.5
139.11197	29.2
145.02855	41.4
149.06050	8.4
149.09654	4.3
149.13268	19.2
149.24297	1.9
151.11226	1.7
151.14836	2.4
153.05496	2.8
153.09122	23.7
153.12721	2.3
159.11679	9.4
163.03929	9.0
165.07025	5.1
167.03386	2.9
167.07098	2.6
167.08562	2.3
168.10240	4.4
177.01952	2.4
177.05489	46.7
177.12769	16.6
177.16377	17.2
180.09296	1.9
195.02902	21.7
195.06554	6.0
195.08231	2.8
195.10158	6.3
195.11778	5.3
195.13763	12.4
195.17464	31.7
196.09769	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	195.1745
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03947	3.4
55.01875	6.2
55.05513	37.9
56.05823	1.7
57.03440	9.9
57.07083	9.2
57.27496	1.2
59.04999	1.8
66.06972	1.1
67.05505	11.6
69.03127	1.4
69.03436	13.8
69.07071	100.0
69.52988	4.9
69.53413	3.9
71.05003	4.4
71.08627	1.3
73.06557	4.2
79.05494	12.1
81.03423	2.8
81.07063	33.9
83.04978	13.4
83.08622	23.5
85.06527	3.7
89.03912	2.3
90.45538	1.2
91.05489	8.5
93.07048	32.1
93.53226	1.2
95.04961	5.6
95.08057	2.4
95.08609	24.9
97.06541	15.3
97.10167	17.2
98.97598	6.4
99.08083	1.9
105.03398	2.8
105.07027	6.9
107.04974	4.5
107.08595	34.8
109.06522	2.4
109.10166	16.3
111.08094	19.9
111.11716	4.5
112.99154	1.6
117.03405	5.1
117.07013	1.6
119.08585	4.4
121.02834	2.3
121.06525	3.7
121.10149	54.8
122.10478	1.7
123.08040	2.2
123.11696	8.8
125.08716	1.1
125.09626	27.9
131.08539	2.1
133.02843	4.4
133.10081	1.8
134.03683	1.3
135.04414	1.9
135.08093	2.0
135.11700	24.3
136.12138	2.2
137.13260	10.2
139.11189	25.3
145.02849	7.9
149.02420	1.7
149.05966	3.7
149.13264	4.7
151.14883	3.4
153.12788	2.2
159.11723	2.5
163.03902	2.6
167.03389	3.1
168.10228	2.8
177.01935	2.7
177.05495	10.1
177.12759	3.3
177.16429	19.4
195.02919	17.1
195.06503	4.2
195.10150	1.8
195.13786	4.2
195.15891	1.9
195.17508	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	3.9
55.01863	3.5
55.05515	13.9
57.03421	4.6
57.07056	1.4
65.03943	3.6
65.45190	1.1
67.05509	51.6
69.03416	1.5
69.07072	19.0
69.86860	6.7
71.01368	2.8
71.04991	6.1
73.02914	1.6
77.45741	1.2
79.05498	43.3
81.03418	8.4
81.07063	100.0
83.04980	11.3
83.08620	9.3
83.70938	1.5
85.06538	4.9
87.04458	1.6
89.03931	1.7
89.06020	1.7
91.05489	27.6
93.07050	67.5
94.07332	1.5
95.04962	5.0
95.08613	39.2
97.06528	13.7
99.08125	3.2
105.07028	11.3
107.04935	4.7
107.08604	29.4
109.06529	10.3
109.10140	4.0
111.04401	1.6
111.08092	6.7
113.09671	1.3
115.05426	1.4
117.03381	4.5
117.07034	9.6
119.08588	3.1
121.02888	1.6
121.06519	7.0
121.10153	11.9
123.08064	2.8
130.96375	1.3
131.08575	12.7
133.02861	1.9
133.10126	13.7
135.04381	1.6
135.08054	5.4
135.10719	2.0
135.11713	36.6
139.07495	1.6
145.02831	6.6
149.05930	3.7
149.09641	2.9
149.13263	21.4
151.11209	2.8
159.11694	15.9
165.07018	2.3
167.03406	1.5
168.10194	3.5
177.05527	7.6
177.12762	14.6
191.03589	1.2
195.02884	10.5
195.06516	3.7
195.08080	2.8
195.11641	4.9
195.13803	18.5
195.15628	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	195.1382
Annotation	Clavularin A
Peak:m/z	Relative Intensity
53.03938	2.7
55.01863	2.8
55.05509	6.0
57.03444	36.6
57.07057	0.9
58.75222	1.0
65.03951	1.5
67.05181	1.0
67.05511	14.2
69.03427	0.8
69.07077	4.2
69.47322	5.1
70.06573	1.0
71.01394	0.7
71.04996	2.4
75.04485	2.0
75.50543	0.6
75.70803	0.6
79.05071	1.1
79.05496	14.3
81.03426	4.2
81.07068	13.2
83.04982	3.6
83.08645	1.3
84.31266	0.7
85.06552	8.0
89.03914	1.2
91.05485	7.7
93.07054	19.2
95.04977	8.7
95.08616	19.9
97.06535	4.8
99.08083	2.2
105.04510	1.0
105.07070	6.3
107.04969	2.9
107.08604	9.4
109.06532	6.0
109.10176	1.7
111.04495	1.2
111.08102	3.5
115.05466	0.8
117.03397	2.7
117.07030	3.0
119.08582	2.3
119.46439	0.7
121.06514	3.1
121.10143	5.8
123.08078	100.0
124.08436	1.6
125.05997	1.2
129.07016	0.8
130.96292	0.9
131.08577	3.1
133.10141	2.0
134.03612	0.8
135.04422	0.8
135.08041	4.9
135.11728	5.1
137.09650	1.9
139.07562	1.3
139.08568	0.8
139.11224	2.6
145.02838	3.9
148.97363	0.9
149.05994	1.6
149.09677	0.9
149.13301	3.3
151.11156	0.9
159.11699	3.7
163.03897	1.8
165.07024	1.8
167.07059	0.9
168.10225	2.1
177.05493	5.7
177.09212	0.9
177.12759	5.1
180.09373	1.0
195.02934	5.4
195.06526	1.7
195.08228	0.9
195.10115	1.3
195.11740	3.0
195.13846	7.9
195.15547	1.4
196.09758	1.5
196.16905	1.1
198.33174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03935	6.8
55.01859	3.7
55.05514	18.6
57.03440	8.5
57.07077	2.5
60.23135	1.7
65.03929	5.1
67.05510	57.1
68.96333	1.6
69.03417	3.5
69.07066	15.7
69.70166	6.6
69.70578	3.7
70.06567	2.1
71.04996	19.3
71.09299	1.5
76.83244	1.8
79.05497	56.1
81.03426	18.7
81.07059	100.0
83.04987	27.5
83.08612	5.7
85.02876	2.1
85.06532	5.0
89.03928	3.2
89.06026	3.4
90.38100	1.6
91.05485	35.7
93.07047	63.7
93.07642	3.0
93.37888	1.6
95.04975	13.3
95.08610	38.5
97.06536	15.4
98.20844	2.6
99.08102	1.8
105.04511	1.8
105.07032	13.5
107.04954	4.5
107.08598	29.8
108.08903	1.6
109.06524	41.6
109.10139	4.8
111.04405	2.0
111.08077	5.8
117.03395	3.3
117.07028	15.3
119.08593	2.7
121.06505	8.9
121.10144	10.8
123.08080	2.8
125.05997	2.1
125.09641	2.0
131.08571	17.7
133.10127	13.8
135.08072	7.1
135.11710	27.6
136.56627	1.7
145.02837	6.2
149.05994	4.4
149.09555	3.1
149.13257	15.9
151.11110	1.8
159.11693	17.1
163.03928	2.4
165.07005	7.5
167.08537	1.7
168.10182	3.0
177.05466	8.8
177.12791	14.4
180.09302	5.9
187.26082	1.8
195.02856	9.9
195.06516	4.2
195.08112	2.8
195.10095	2.5
195.11699	14.0
195.13805	25.4
195.15723	4.2
199.71158	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	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03934	4.5
55.01857	4.2
55.05517	13.1
57.03441	31.0
57.07076	2.1
59.04971	1.5
65.03951	1.6
66.14719	1.2
67.05508	50.2
68.96331	1.6
69.03416	2.3
69.07066	14.0
70.06603	3.0
71.01346	3.1
71.04977	4.9
71.52013	2.2
79.05492	37.9
81.03418	9.0
81.07059	90.1
83.04990	10.6
83.08620	6.8
85.06532	9.8
89.03915	3.1
89.06021	3.1
91.04982	2.3
91.05486	26.7
92.29658	1.7
93.07045	61.9
95.04977	11.0
95.08611	45.9
97.06521	10.2
99.08080	3.5
101.06010	1.5
102.21331	1.6
105.07034	11.4
106.04060	1.3
107.04940	6.2
107.07974	2.4
107.08604	27.6
108.08918	1.3
109.06522	8.7
109.10153	3.7
111.04486	1.6
111.08081	7.9
117.03364	7.4
117.06994	8.2
119.08559	4.4
121.06518	7.6
121.10136	12.8
122.01527	1.7
123.08070	100.0
124.35863	1.5
125.05956	1.9
130.96365	1.7
131.08601	10.9
133.10141	12.3
135.04456	1.9
135.08006	3.4
135.11687	29.7
137.05951	1.8
137.09624	2.3
139.07550	1.8
139.11191	2.0
145.02820	13.2
149.05960	5.3
149.09624	3.4
149.13290	15.8
149.34435	1.4
151.11194	2.0
153.97845	2.5
159.11697	16.3
163.03903	5.8
165.07022	6.6
167.03377	1.4
167.08603	4.5
168.10245	2.7
174.08064	2.1
177.05467	17.0
177.12750	17.4
180.09293	5.7
195.02898	9.7
195.06451	2.5
195.08032	2.7
195.10144	2.2
195.11681	13.8
195.13803	19.0
195.15712	3.9
196.09608	2.6
196.16945	2.7
202.62540	1.4
208.97426	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.65422	5.0
52.60456	5.2
53.03949	9.4
55.05513	16.8
57.03447	48.7
64.38442	5.4
67.05513	36.1
69.07079	45.4
70.06629	5.5
70.56937	12.5
70.57302	11.8
74.31023	5.3
79.05506	41.6
81.03408	8.1
81.07066	42.1
84.12094	6.4
85.06541	22.8
85.43597	5.5
88.76605	5.6
91.05479	20.6
93.07047	61.5
95.05002	5.8
95.08608	48.9
97.06541	20.8
105.07047	23.6
107.04951	11.9
107.08604	31.6
109.06538	11.6
109.10187	13.3
111.08083	7.5
117.07044	13.3
119.08562	11.7
120.88072	5.7
121.06507	8.7
121.10144	11.2
123.08073	100.0
131.08527	9.5
133.10156	18.7
135.08066	11.5
135.11734	52.3
145.02846	12.3
149.05934	6.0
149.09636	5.9
149.13260	14.3
150.07121	5.4
159.11737	15.6
163.03946	12.8
168.10342	5.4
177.05502	22.6
177.12791	42.3
180.09396	6.0
195.02870	11.8
195.06529	5.7
195.11719	6.1
195.13844	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
51.92837	1.1
53.00861	1.0
53.03952	6.2
53.69179	0.9
55.01875	6.0
55.05512	22.3
56.96552	2.5
57.03439	7.2
57.07076	4.9
65.03934	4.4
67.05506	63.1
69.03424	2.3
69.07072	19.9
71.01347	2.1
71.05006	5.9
77.03910	2.4
79.05497	50.2
79.29162	0.9
80.04999	1.6
81.03426	14.7
81.07058	100.0
83.04984	12.9
83.08627	10.5
85.02914	2.3
85.06547	5.5
89.03909	3.9
89.06013	1.3
91.05482	48.7
93.07047	64.9
94.07376	1.2
95.04963	10.6
95.08610	35.9
97.06525	17.3
97.10159	2.0
99.04478	1.4
99.08106	1.5
102.55966	1.0
103.05472	1.3
105.03397	2.3
105.04509	2.7
105.07034	17.5
107.04955	12.6
107.08591	36.8
109.06519	7.3
109.10159	5.7
111.04430	2.6
111.08096	7.6
113.05983	1.7
117.03381	6.6
117.07015	14.6
119.08611	5.9
120.01975	1.0
121.02865	2.6
121.06498	9.5
121.10146	17.9
123.08075	4.5
123.11692	2.1
125.06018	1.6
125.09618	1.5
129.06961	1.0
130.96320	1.3
131.08553	13.9
133.02837	5.6
133.10132	24.9
135.04416	2.7
135.08035	6.5
135.11697	35.5
137.05948	2.0
137.09595	1.4
139.03886	1.7
139.07594	2.4
139.11128	1.6
145.02850	11.2
145.03906	1.6
148.97348	2.4
149.02423	1.6
149.06030	5.7
149.09633	4.4
149.13269	21.6
151.03915	1.2
151.11174	3.9
152.06059	1.4
153.07208	1.1
153.09169	1.8
153.97887	1.2
159.11697	15.7
163.03893	10.3
165.05588	1.4
165.07016	3.5
167.03412	2.4
167.07109	2.0
167.08469	2.4
168.10188	4.9
171.98903	1.5
176.24377	1.0
177.01843	2.2
177.05463	15.0
177.09119	2.0
177.12737	16.8
180.09328	3.4
195.02902	21.5
195.06573	5.7
195.08206	2.8
195.10136	2.9
195.11700	6.0
195.13794	24.8
195.15573	2.0
195.17427	1.7
196.09637	1.8
196.16972	1.4
206.93774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
53.03933	2.3
55.01873	5.3
55.05269	1.0
55.05518	12.1
55.05764	1.6
57.03444	1.9
57.07087	1.3
58.51029	0.8
59.04988	0.9
65.03937	2.4
67.05192	0.8
67.05517	11.1
68.99788	3.4
69.03434	5.5
69.06727	1.4
69.07073	15.0
71.04993	7.4
73.52020	0.8
77.03938	0.9
79.05501	29.1
81.03410	2.7
81.07066	40.0
83.04992	3.2
83.08619	2.0
85.06550	17.6
89.03911	3.8
91.04982	1.3
91.05489	12.5
93.03426	1.2
93.07053	62.2
94.07424	1.2
95.04971	3.5
95.08619	13.5
97.06540	61.3
97.10162	3.7
98.06887	0.9
99.04456	0.9
99.08107	2.1
101.06007	1.1
102.40518	0.9
105.06396	1.4
105.07044	16.3
107.04961	3.2
107.08607	38.0
109.06516	5.2
109.10135	4.2
111.04470	1.0
111.08092	5.3
113.05968	1.0
117.03397	6.7
117.07019	2.9
119.08592	12.8
121.02847	0.8
121.06511	3.3
121.10152	100.0
123.08086	5.9
123.11706	3.8
125.05993	1.3
125.09647	11.2
129.06972	1.1
131.08582	4.8
133.02840	2.0
133.10156	3.9
134.03622	1.0
135.04402	1.0
135.08076	5.4
135.11684	7.4
137.09595	5.3
137.13295	1.2
139.03978	1.2
139.07599	1.3
139.11246	1.0
144.09276	2.1
145.02861	9.4
147.11737	4.0
149.06015	3.0
149.09619	4.0
149.13277	25.8
151.11171	2.9
153.09108	4.2
154.06250	0.9
159.11713	14.7
163.03914	2.7
165.07097	1.0
165.12755	3.0
167.03436	1.6
168.10130	1.5
177.05496	11.0
177.12770	30.8
177.16240	1.0
180.09303	0.9
195.02928	7.1
195.06532	2.8
195.08290	1.5
195.10120	1.9
195.11980	1.2
195.13834	27.0
195.17480	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Norbisabolide
Peak:m/z	Relative Intensity
51.93156	0.7
53.03938	2.1
53.48970	0.8
55.01872	6.0
55.05515	26.3
57.03443	5.8
57.07068	5.3
59.05003	1.2
65.03934	1.5
67.05507	12.2
68.99804	1.1
69.03142	0.8
69.03436	9.7
69.07072	66.2
69.92017	3.6
71.04998	6.2
71.08611	1.2
73.06548	2.1
79.05499	24.8
81.03426	1.8
81.07061	45.8
83.04993	8.3
83.08627	12.2
85.06548	14.2
89.03934	4.2
91.05486	12.4
93.07050	59.9
95.04983	4.1
95.08612	24.6
97.06536	53.7
97.10170	11.9
98.06868	0.7
99.08098	2.4
101.06028	1.1
103.05453	1.0
105.03370	1.3
105.04520	0.8
105.07035	13.6
106.04208	1.1
106.16806	0.7
107.04974	2.8
107.08598	49.9
108.08938	1.3
109.06517	2.6
109.10162	11.4
111.08090	14.8
111.11725	2.2
113.06007	0.9
113.09648	0.9
117.03384	7.2
117.07013	2.3
119.08593	10.1
121.06529	2.3
121.10149	100.0
122.10496	1.3
123.08092	6.0
123.11711	6.9
125.06048	0.9
125.09637	23.8
131.08588	3.1
133.02893	1.2
133.10121	3.3
134.03574	1.2
135.04405	1.9
135.08112	3.8
135.11691	15.9
136.39494	0.7
137.05997	0.9
137.09621	5.0
137.13274	6.3
139.03949	1.0
139.07549	1.6
139.11182	15.2
140.56973	0.7
144.09344	1.4
145.02850	13.0
146.03139	0.8
147.11714	3.0
148.97296	0.9
149.02386	0.9
149.05957	3.8
149.09598	2.7
149.13271	22.2
151.11192	1.7
151.14859	1.6
153.05573	0.8
153.09178	1.5
153.12737	2.3
159.11687	10.7
163.03909	2.3
165.06947	1.2
165.12799	3.1
167.14339	1.2
168.10255	1.0
177.05458	13.6
177.09077	1.0
177.12767	22.8
177.16377	12.0
180.09297	0.9
195.02919	6.9
195.06583	1.8
195.08119	1.3
195.11760	2.3
195.13821	19.1
195.15816	0.8
195.17456	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	195.1382
Annotation	Norpechuelol
Peak:m/z	Relative Intensity
53.03947	1.7
55.01880	4.5
55.05516	10.0
57.03435	1.8
57.07083	1.3
57.33616	0.6
62.95315	0.6
65.03955	0.9
67.05511	7.9
69.03429	4.4
69.06723	1.0
69.07074	11.3
70.65726	1.6
71.04996	5.0
73.02909	0.5
73.06583	0.6
77.03925	1.0
79.05502	25.1
79.05968	1.4
80.05791	0.6
81.03418	0.7
81.07062	35.4
83.04996	2.5
83.08624	1.5
85.06551	14.3
89.03931	1.8
91.05489	11.8
93.07050	58.9
94.07410	1.0
95.04976	2.6
95.08616	8.3
97.06538	59.7
97.10171	4.7
98.06889	0.8
99.04482	1.2
99.08085	1.7
101.06075	0.8
103.05457	1.1
105.04536	1.0
105.07040	15.0
107.04964	1.0
107.08602	37.0
109.06534	2.6
109.10152	5.1
111.08073	4.9
113.06026	0.7
117.03410	4.6
117.07025	2.3
119.06117	0.8
119.08582	11.5
121.06508	2.8
121.10152	100.0
122.10495	1.5
123.04192	0.5
123.08076	6.3
123.11737	3.0
125.06092	0.6
125.09631	9.1
127.07575	0.5
129.07005	1.0
131.08571	2.9
133.10155	3.3
135.08070	2.6
135.11722	3.5
135.12584	0.5
137.09627	5.2
137.13203	0.6
139.11169	0.6
144.09343	1.9
145.02864	9.1
147.11667	3.6
149.05977	2.2
149.09608	1.8
149.13264	23.4
151.11198	1.4
153.09157	0.7
153.12787	0.8
159.11691	13.8
163.03931	1.1
165.12772	3.4
167.14290	0.7
168.10249	0.8
177.05470	10.5
177.12762	26.3
178.05873	0.5
183.97444	0.5
185.83868	0.5
195.02863	1.9
195.11989	1.3
195.13820	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03947	4.0
55.05515	27.6
57.03425	3.9
57.07064	6.9
59.05002	5.0
67.05513	30.5
69.03417	19.6
69.07068	17.9
70.06075	8.7
71.04980	5.4
79.05492	7.1
81.07056	31.1
83.04984	26.5
83.08624	9.9
85.06538	3.9
85.82989	2.9
91.05466	10.7
93.07062	29.3
95.04895	4.2
95.08617	63.8
97.06551	4.1
98.20889	5.0
99.08112	3.7
105.07036	27.5
107.08595	43.4
109.06526	19.0
109.10168	84.3
111.08053	8.0
115.05392	2.9
119.08590	67.5
121.10165	33.0
123.08086	54.5
123.11698	13.6
125.09652	4.0
133.06482	3.4
133.10143	46.8
135.11697	81.9
137.09644	33.1
138.10419	3.5
147.11687	9.4
149.13240	20.0
151.11171	10.5
151.14850	7.0
161.05934	3.0
175.14841	39.9
193.15891	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	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03951	1.0
55.05513	23.5
57.03436	0.8
57.07079	7.1
59.05002	2.6
65.03927	1.3
67.05508	26.6
69.03434	14.2
69.07072	21.4
69.07423	0.6
71.05012	3.2
71.08637	1.8
72.05366	0.7
77.03920	1.1
79.05491	7.5
81.07060	34.5
83.04984	22.4
83.08619	14.9
85.06555	5.3
87.08128	1.1
91.05482	13.4
93.07051	24.7
95.04997	3.5
95.08611	64.6
96.08974	0.7
97.06511	3.5
97.10155	3.1
99.08102	2.7
103.05484	1.1
105.07034	23.8
107.08598	58.3
109.06529	17.7
109.07264	1.2
109.10162	82.1
110.10497	1.1
111.08086	10.6
117.07024	2.4
119.08585	69.3
121.10149	37.1
121.11045	1.5
123.08072	41.3
123.11704	10.6
125.09593	3.1
131.08589	2.6
133.10136	51.1
134.10432	0.7
135.11696	100.0
136.12032	1.5
137.09622	29.6
138.10425	4.2
139.11214	0.8
145.10175	1.9
146.88564	0.7
147.11717	6.8
149.13266	20.9
150.10352	0.8
151.11209	11.1
151.14825	9.8
160.12509	1.4
161.05986	1.1
165.12790	1.2
165.16397	4.0
173.13138	1.0
175.14828	49.2
193.15887	73.3
194.16238	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03940	3.1
55.01863	3.0
55.05513	19.3
55.59487	2.1
57.03433	4.4
57.07069	5.3
57.70266	2.0
59.04989	2.8
65.03938	2.0
67.05511	27.7
67.58958	2.0
68.99805	2.1
69.03446	10.7
69.07066	22.0
70.65750	5.4
71.04989	7.4
79.05496	19.7
81.03416	18.6
81.07060	34.4
83.04988	15.7
83.08604	8.2
85.06532	7.1
91.05482	40.7
93.07054	28.3
95.04983	10.7
95.08064	3.9
95.08612	51.8
97.06552	4.4
103.05449	5.3
105.07036	57.2
107.04950	3.0
107.08598	45.7
109.06535	12.3
109.10162	56.8
109.75427	2.3
111.08096	5.3
112.38625	2.0
115.05452	4.9
116.79942	2.3
117.07030	7.5
119.04922	3.7
119.06117	2.4
119.08585	100.0
121.06497	3.5
121.10154	22.8
123.04394	3.6
123.08080	28.4
123.11723	11.2
129.06989	5.2
131.08534	6.6
133.06502	10.8
133.09122	3.5
133.10135	65.2
135.10704	4.5
135.11699	73.3
137.09625	24.1
137.84143	2.0
138.10359	2.7
147.04428	12.4
147.08043	7.8
147.11691	29.2
149.02338	2.9
149.13243	16.9
151.11157	10.6
151.14816	8.8
157.10117	3.5
161.05989	12.9
163.07520	2.2
165.05478	3.1
165.16351	3.4
175.03899	8.1
175.07487	3.2
175.11166	10.3
175.14827	43.5
193.05064	11.0
193.08549	10.1
193.12250	10.1
193.15907	60.3
193.17673	3.8
194.15399	5.2
208.66238	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03931	3.7
55.01874	1.9
55.05241	0.7
55.05515	27.3
57.03427	3.1
57.07078	8.9
59.04995	3.6
65.03933	2.6
67.05511	38.0
69.03435	13.8
69.07074	27.2
71.04989	3.7
71.08627	1.0
71.09750	2.1
77.03905	1.0
79.05499	19.3
80.68548	0.9
81.02940	1.2
81.03426	28.8
81.07060	45.4
83.04990	23.5
83.08150	1.2
83.08626	18.3
85.06551	6.2
91.04910	1.0
91.05487	23.2
93.07053	33.5
95.04980	16.6
95.08614	67.8
97.06528	5.2
97.10178	2.2
99.08109	4.3
101.90128	0.9
103.05490	2.2
105.07035	32.7
107.04955	3.0
107.08603	54.7
109.06528	22.3
109.10165	90.3
111.08091	11.6
115.05422	2.2
117.07018	3.6
119.04935	1.5
119.08589	78.5
121.06518	2.4
121.10157	38.5
122.07276	1.1
122.10500	1.2
123.04459	1.0
123.08072	44.0
123.11723	12.5
125.09647	3.5
129.07005	2.8
131.08600	5.3
133.06526	4.1
133.10139	54.9
135.08125	1.9
135.11702	100.0
136.12016	1.4
137.09627	38.2
137.13190	0.9
138.10442	4.6
145.10104	1.5
147.04398	1.0
147.08057	2.8
147.11708	10.0
149.02388	1.2
149.09613	0.9
149.13271	19.9
151.11215	11.6
151.14830	10.3
157.10120	2.8
160.12404	1.2
161.05974	2.8
165.16418	3.8
173.13327	1.1
175.11215	4.9
175.14839	52.5
176.15083	0.9
193.04994	2.7
193.08621	2.5
193.12280	7.0
193.15903	79.6
194.16202	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03933	2.8
55.01863	2.2
55.05519	19.1
57.03424	2.5
57.07062	6.1
59.04998	2.8
65.03939	2.2
67.05506	21.3
69.03417	6.5
69.07076	19.9
70.82845	2.9
70.83186	2.1
71.04981	6.6
79.05499	16.1
81.03410	7.2
81.06595	2.6
81.07062	44.2
83.04981	14.5
83.08596	8.5
85.06526	5.6
91.05491	15.4
93.06490	3.5
93.07051	42.2
95.04981	12.4
95.08609	51.1
97.06522	6.7
97.10170	5.5
98.65440	1.5
99.08090	3.3
105.07044	35.1
107.08607	40.5
109.06528	30.8
109.10159	43.4
109.78516	1.6
111.08110	10.3
119.04888	1.9
119.08596	63.3
121.10146	16.3
123.04420	2.3
123.08073	22.1
123.11720	22.6
126.33071	1.7
131.08578	2.7
133.06497	6.5
133.10138	41.1
134.10390	1.9
135.11705	52.1
137.09616	23.2
147.11652	10.0
148.00752	1.6
148.46706	1.8
149.02315	3.0
149.06013	2.4
149.13268	18.4
149.90535	1.6
151.11211	11.1
151.14857	4.7
151.26270	1.5
158.41345	1.6
161.05984	7.4
165.12735	2.2
165.16432	2.4
167.28593	1.5
175.14845	62.6
193.04968	9.2
193.08577	2.7
193.15897	100.0
194.16234	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	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03945	3.4
55.01862	3.2
55.05512	20.5
55.57140	1.5
57.03423	3.1
57.07066	5.7
59.04988	2.4
62.51888	1.6
65.03962	2.0
67.05505	23.4
69.03430	8.8
69.07075	21.6
71.04982	6.2
71.10049	3.5
72.86011	1.6
77.03883	2.0
79.05488	16.4
81.03400	4.2
81.07059	39.5
83.04987	13.8
83.08620	13.1
84.86153	1.6
85.06532	6.6
91.05482	16.4
93.06482	2.7
93.07047	37.8
95.04979	13.1
95.08616	59.4
97.06541	9.4
97.10150	6.2
97.27867	1.6
99.08083	4.9
103.05483	6.4
105.07038	65.6
107.08601	49.8
109.06528	33.6
109.10156	47.6
109.10701	1.3
109.10916	1.6
111.08102	11.3
115.05448	8.3
117.38509	1.8
118.04191	3.4
119.04946	1.8
119.08591	62.2
121.10163	20.5
123.04411	3.9
123.08088	27.3
123.11719	22.2
125.09618	2.4
131.08592	2.0
133.06505	35.3
133.10138	47.1
135.11702	51.9
137.09625	29.4
143.06030	2.0
147.04353	2.4
147.11705	10.8
149.13281	19.1
151.11183	11.2
151.14806	6.5
161.05989	23.9
175.14848	60.6
193.04985	3.2
193.08640	7.5
193.12225	3.3
193.15895	100.0
194.16135	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	193.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.2
55.01880	1.4
55.05518	14.9
56.56516	0.7
57.03443	4.5
57.07077	4.5
59.05017	2.1
61.03696	0.7
65.03919	0.8
67.05511	13.2
69.03439	2.5
69.07074	16.1
70.06604	1.0
71.05008	1.5
71.42002	1.3
79.05497	8.7
79.06164	0.8
79.32241	0.6
81.07075	15.2
83.04988	9.4
83.08630	4.4
85.06564	2.3
91.05479	13.2
93.07051	12.2
95.04984	3.2
95.08614	28.2
97.06567	1.3
97.10215	1.0
103.05500	3.3
105.07037	36.4
107.08608	14.9
109.06506	5.7
109.07160	0.8
109.10166	26.7
111.08089	1.4
115.05457	4.5
117.07003	3.6
118.04177	1.8
119.04914	0.8
119.08592	66.5
121.06537	1.3
121.07677	0.6
121.10154	9.5
123.08073	5.3
123.11752	2.2
129.07027	1.2
131.08594	2.5
133.02858	1.9
133.06502	14.5
133.10141	77.9
134.10933	1.2
135.08176	0.8
135.11702	22.4
136.12038	1.0
137.04863	0.8
137.05943	0.9
137.09625	15.0
138.38322	0.6
143.06020	1.4
143.90955	0.7
145.10132	5.6
146.10939	0.8
146.97511	0.7
147.04445	1.5
147.08102	1.7
147.11705	20.0
149.02232	0.8
149.06000	1.6
149.13271	7.6
151.11203	2.2
151.14815	4.7
152.07048	1.4
157.10034	1.1
159.11734	0.8
160.12482	3.4
161.06003	16.7
166.08586	0.8
173.13283	1.5
175.11343	2.2
175.14841	100.0
176.15184	1.0
178.02611	1.2
193.01364	1.6
193.04979	6.4
193.08478	4.3
193.12265	4.2
193.15894	23.4
194.08176	0.8
206.10728	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.05515	27.6
57.03425	3.9
57.07064	6.9
59.05002	5.0
67.05513	30.5
69.03417	19.6
69.07068	17.9
70.06075	8.7
71.04980	5.4
79.05492	7.1
81.07056	31.1
83.04984	26.5
83.08624	9.9
85.06538	3.9
85.82989	2.9
91.05466	10.7
93.07062	29.3
95.04895	4.2
95.08617	63.8
97.06551	4.1
98.20889	5.0
99.08112	3.7
105.07036	27.5
107.08595	43.4
109.06526	19.0
109.10168	84.3
111.08053	8.0
115.05392	2.9
119.08590	67.5
121.10165	33.0
123.08086	54.5
123.11698	13.6
125.09652	4.0
133.06482	3.4
133.10143	46.8
135.11697	81.9
137.09644	33.1
138.10419	3.5
147.11687	9.4
149.13240	20.0
151.11171	10.5
151.14850	7.0
161.05934	3.0
175.14841	39.9
193.15891	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	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
50.73099	1.2
55.05510	14.8
57.03424	1.0
57.07073	4.0
59.04975	1.4
67.05504	12.0
69.07069	16.2
70.85609	3.6
79.05502	6.7
81.07058	12.4
83.04981	10.3
83.08617	5.0
85.06541	2.1
91.05476	10.2
92.60344	1.4
93.07043	11.8
95.04965	4.7
95.08609	26.2
105.07040	17.6
107.08585	13.3
109.06517	2.4
109.10162	27.1
117.07055	1.3
119.08585	62.7
121.10130	8.9
123.08073	5.6
123.11720	2.9
131.08592	2.1
133.06509	5.1
133.10138	78.2
134.10481	1.5
135.11687	22.8
137.09624	16.2
142.52142	1.2
145.10144	5.9
147.10555	1.6
147.11685	20.8
149.13258	5.5
151.14854	3.9
160.12469	4.5
161.05991	4.1
172.98601	1.3
173.13266	1.7
175.07507	1.3
175.14832	100.0
176.15147	1.6
193.04987	2.4
193.15897	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03939	1.3
55.05512	10.4
57.07057	1.8
59.04985	1.9
62.35501	0.9
62.80956	0.9
65.03936	1.9
67.05499	8.8
69.07069	24.2
69.95055	1.3
69.95329	4.7
71.04993	16.2
79.05500	7.4
79.99335	0.8
81.03410	3.6
81.06596	1.3
81.07059	23.7
83.04983	2.2
83.08614	3.6
85.06556	12.5
91.05493	8.8
91.08215	1.0
93.06490	1.9
93.07048	24.1
95.04372	2.0
95.04972	35.5
95.08618	22.6
97.06531	2.9
97.10186	7.2
99.08086	4.0
103.05524	1.4
105.07024	12.6
107.08600	34.7
109.06523	100.0
109.10159	16.5
110.06853	1.7
111.08101	6.5
111.11707	3.5
116.85123	0.9
119.08590	27.7
121.07599	1.6
121.10152	10.0
122.07227	1.1
123.08084	7.3
123.11710	18.5
127.65504	0.9
131.08559	1.0
133.06494	2.6
133.10141	24.2
135.11697	30.4
137.06007	1.2
137.09619	14.9
147.11685	4.1
149.02338	2.3
149.13246	8.2
151.11198	6.5
151.14784	1.3
161.05493	2.1
164.96680	1.0
173.13297	1.0
175.11156	1.7
175.14835	36.1
193.04964	3.4
193.09912	5.4
193.12212	3.4
193.15884	58.9
194.15439	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03938	3.0
55.05513	22.4
55.63085	1.5
56.05040	1.9
56.53404	1.8
57.07059	3.9
65.03933	1.8
67.05504	18.4
68.05028	2.3
69.03428	2.0
69.07068	37.2
71.51263	1.6
71.51628	1.9
79.05495	18.4
81.04553	1.7
81.07058	22.2
83.04999	2.0
83.08615	17.0
87.40864	1.8
91.05479	13.2
93.07047	52.2
93.07634	2.9
95.04971	3.5
95.08609	82.4
96.08956	1.7
97.10172	11.4
105.07018	12.1
107.04996	2.3
107.08595	72.8
108.90463	3.2
109.06467	2.4
109.07632	3.5
109.10156	37.6
110.07129	1.7
111.08066	1.8
111.11758	1.9
117.07030	2.2
119.08544	3.8
121.06571	2.5
121.10143	100.0
122.07156	3.1
122.21521	1.7
123.08078	2.0
123.11687	8.5
131.08548	3.9
132.05531	1.9
133.10136	6.0
135.08099	8.1
135.11688	63.9
145.10115	5.3
147.11731	3.4
148.08870	1.5
149.08226	4.2
149.09616	2.1
149.13258	16.4
151.09814	1.6
160.05072	19.7
163.08661	2.0
163.09969	1.8
163.11197	3.2
163.14825	2.6
169.39612	1.4
169.80879	1.6
173.09624	3.7
173.13269	5.1
176.08443	1.9
177.07848	1.7
182.45979	1.5
191.06921	2.2
191.09160	2.6
191.10617	17.4
191.12881	3.1
191.14328	17.5
191.17969	76.7
192.07803	3.3
192.10304	3.4
192.12433	4.1
192.17496	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	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03944	11.0
55.01869	4.8
55.05512	15.6
57.03441	70.2
60.71419	1.7
65.03935	3.9
67.05507	42.0
69.03420	7.2
69.07075	8.7
70.18079	6.4
71.04978	3.6
77.03925	2.4
77.45831	1.6
79.05498	32.9
81.03422	100.0
81.07053	25.1
83.04974	11.4
83.08623	14.4
85.02894	1.8
85.06548	5.1
91.05484	65.2
93.06492	3.2
93.07050	55.2
95.04977	49.3
95.08617	15.0
97.02880	2.5
97.06517	7.0
98.21403	2.3
99.08053	2.7
103.05456	5.4
105.04576	2.9
105.07035	82.1
107.04955	9.7
107.08593	15.7
108.06829	2.2
109.02938	1.9
109.06517	11.1
109.10158	19.3
111.04445	2.1
111.08057	3.8
115.05431	7.5
117.07027	7.8
118.35896	1.7
119.04894	3.6
119.08588	93.0
121.05681	2.6
121.06517	48.4
121.07398	2.0
121.10156	9.6
123.04407	5.6
123.08051	6.9
123.11768	2.3
129.07007	10.8
129.21341	1.7
131.04903	2.3
131.08609	11.7
133.06508	20.5
133.10144	55.7
135.08032	5.0
135.11682	5.6
137.05930	2.3
137.09625	36.0
142.07802	12.7
143.06041	1.7
145.06429	2.9
145.10127	3.5
146.07251	3.9
147.08073	20.9
147.11702	40.1
149.02284	3.0
149.09610	7.9
149.13263	2.5
151.11201	4.0
157.10173	13.1
160.08839	6.3
161.06046	15.0
165.12737	4.3
175.03848	3.1
175.11194	48.5
175.14789	8.6
193.04964	10.5
193.08456	4.4
193.09976	3.9
193.12253	38.6
193.15880	8.4
194.15410	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	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
55.05511	19.6
56.05016	1.8
57.07069	4.2
67.05512	17.3
69.07074	47.8
71.11176	1.4
79.05495	14.9
81.04530	2.3
81.07066	19.6
83.08625	17.7
88.02200	1.6
91.05479	11.3
93.07046	56.2
95.04978	2.4
95.08616	88.9
97.10185	11.4
97.18996	1.7
105.07038	10.1
107.08602	72.8
108.05597	3.1
109.03966	1.9
109.07607	1.7
109.10168	47.6
109.10933	2.5
110.07166	2.5
111.11749	3.8
117.07032	1.7
119.06177	1.6
119.08595	3.8
121.10153	100.0
123.11693	7.9
131.08580	2.9
133.07544	1.9
133.10117	3.7
135.08003	4.1
135.11703	68.6
136.08801	1.6
145.10147	3.9
146.05975	2.3
147.11679	3.6
148.08705	1.7
149.08211	6.4
149.09375	1.7
149.13264	16.0
150.10266	3.3
160.05060	16.1
163.14804	3.1
173.13179	2.7
191.10730	6.7
191.12900	3.2
191.14360	14.9
191.17963	98.7
192.07719	1.9
192.10272	3.9
192.12393	2.8
192.17525	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.1
59.04989	0.9
62.01981	0.9
67.05486	3.4
69.03424	3.7
69.07063	3.6
69.97306	4.6
70.22551	0.9
71.04983	2.9
79.05494	8.2
81.07064	7.8
83.04995	1.8
83.08614	1.6
85.06550	4.3
91.05482	14.1
93.07047	9.9
95.04942	1.3
95.08618	5.9
97.06529	5.2
98.21454	1.1
98.67847	0.9
103.05490	1.2
105.07035	36.1
105.21312	0.8
107.08605	18.8
109.06519	3.0
109.10172	4.9
111.08110	1.8
115.05441	1.4
116.06274	1.1
117.07014	5.2
119.06042	1.0
119.08590	11.1
121.06476	3.9
121.10155	12.3
123.08060	5.2
129.07008	1.9
131.08582	29.6
133.10139	100.0
135.08070	9.5
135.11668	1.9
137.09586	2.7
143.08568	5.1
144.09354	1.7
145.10120	13.7
147.11699	8.8
149.09621	3.2
149.13278	10.7
158.10938	8.8
160.05075	1.4
161.09541	1.1
161.13324	0.8
163.11191	2.0
163.14806	2.3
171.11664	1.0
173.13281	30.7
188.25758	0.8
191.10709	2.9
191.14331	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01860	3.5
55.05520	5.5
57.03416	1.4
57.07060	1.1
59.04983	1.4
60.90907	0.9
62.15351	0.9
65.03939	2.4
67.05511	19.7
69.03434	8.1
69.07077	10.6
70.11583	1.0
70.64394	1.6
71.04993	9.8
77.03885	1.4
79.05082	1.1
79.05501	16.4
79.61986	1.2
81.07056	14.1
83.04984	5.0
83.08611	3.3
85.06540	4.4
91.05488	22.1
93.07046	19.2
95.04969	12.2
95.08608	16.8
97.06533	5.8
103.05468	5.4
105.07038	33.8
107.04940	3.4
107.08604	34.3
109.02879	2.2
109.06525	34.3
109.10162	67.9
111.08079	1.8
115.05436	3.6
116.06258	1.9
117.07021	10.1
119.08586	13.2
121.06507	9.6
121.10152	20.2
123.04317	1.1
123.08062	10.6
125.06020	1.1
129.07011	4.3
130.07780	2.6
131.04909	4.4
131.08577	53.0
133.06529	1.9
133.10141	53.4
135.08061	80.3
135.11664	6.3
143.08592	7.3
144.09348	3.1
145.06473	1.4
145.10135	20.5
147.08012	3.2
147.11674	7.7
148.05176	1.9
148.08847	2.8
149.09633	15.0
149.13298	6.8
150.10437	3.7
158.10919	11.4
160.05058	4.9
161.09607	3.9
163.03854	1.6
163.07573	4.8
163.11195	6.1
163.14825	1.9
171.11653	1.1
173.09673	3.7
173.13278	46.6
176.04691	1.7
176.12007	3.0
189.12700	1.4
191.03502	3.0
191.06946	7.5
191.10687	16.2
191.14316	100.0
191.17961	3.1
192.06415	1.1
192.14583	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03943	1.6
54.78979	0.9
55.05506	4.3
65.03947	1.7
67.05509	8.6
69.03423	6.0
69.07072	9.8
69.85535	0.8
69.95919	0.9
69.96293	5.0
71.05002	10.6
79.05520	6.8
80.57104	0.8
81.07066	8.6
83.04960	2.9
83.08607	1.8
85.06545	6.1
91.05489	13.2
93.07050	16.7
95.04957	4.1
95.08621	13.8
97.06538	12.1
98.20844	1.2
104.66891	0.8
105.07054	21.5
107.04939	2.0
107.08599	33.0
109.06519	7.9
109.10184	8.1
111.08091	3.6
115.05482	1.4
117.07040	2.7
119.06067	0.8
119.08597	12.6
121.06531	2.4
121.10154	30.3
123.08060	2.8
129.06984	1.1
130.07782	1.1
131.08580	16.6
133.06593	1.0
133.10135	25.8
135.08066	23.1
135.11684	1.8
143.08566	4.2
144.09392	2.2
145.10109	8.9
147.11699	16.6
149.09612	4.3
149.13258	15.3
158.10939	8.1
161.09612	1.0
163.14885	1.3
171.11751	1.2
173.13284	22.8
176.12044	1.7
191.07071	1.3
191.14323	100.0
213.81693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.8
55.05512	6.0
57.03437	1.1
57.07077	1.2
67.05504	7.6
68.39941	1.0
69.03438	8.2
69.07079	9.1
70.14703	1.0
71.05003	10.6
71.28095	1.7
72.78409	1.1
79.05499	7.2
81.07069	9.2
83.04975	4.9
83.08651	1.3
84.72269	1.3
85.06555	6.0
88.84229	1.1
91.05487	14.7
93.07054	14.6
95.04998	5.9
95.08612	12.9
97.06528	10.8
97.16890	1.2
103.05491	1.6
105.07040	24.8
107.08601	29.8
109.06520	6.2
109.10174	7.3
109.74261	1.1
111.08094	3.3
117.07014	2.3
119.08597	12.6
121.06514	5.8
121.10156	25.4
123.08060	4.3
129.06992	2.2
131.08577	21.3
133.10149	24.1
135.08073	26.9
135.11696	2.8
140.62869	1.1
142.87398	1.1
143.08577	4.6
145.10121	9.1
147.11717	16.9
149.09621	5.1
149.13263	13.3
157.58694	1.1
158.10915	11.7
161.09579	1.8
161.80270	1.1
163.07547	1.8
163.11108	1.5
173.13297	27.8
176.11966	1.8
191.06982	1.9
191.10693	3.6
191.14330	100.0
192.14690	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	191.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04586	1.1
53.03936	1.3
55.01879	1.7
55.05517	6.2
55.72098	1.1
57.03426	1.4
57.07068	2.1
67.05512	16.0
69.03434	3.4
69.07087	9.0
69.28169	11.8
71.05000	9.0
72.11515	1.2
79.05508	12.6
81.07071	12.3
83.08619	3.4
85.06553	3.7
91.05486	22.7
93.07054	20.1
95.04966	11.2
95.06004	1.1
95.08620	15.8
97.06529	4.9
97.10148	1.8
105.07043	37.3
107.08608	30.1
109.06523	24.8
109.10164	50.6
115.05424	2.8
116.06239	1.9
117.07022	7.2
119.08589	11.8
121.06500	4.6
121.10146	20.6
123.08074	11.5
129.07027	3.0
130.07797	1.3
131.08582	55.2
133.10144	100.0
135.08064	58.0
135.11687	8.8
143.08566	6.5
144.09286	3.3
145.10133	17.0
147.08127	2.3
147.11693	7.7
148.08813	1.9
149.09628	10.8
149.13275	9.9
150.10437	3.0
158.10942	11.9
160.05133	1.9
161.09641	2.1
163.07654	1.4
163.11194	3.0
163.14824	1.7
173.13280	51.1
176.11983	2.9
191.07048	2.0
191.14325	74.9
191.17953	5.4
202.29738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01869	4.0
55.05503	4.3
57.07076	1.8
67.05518	11.0
69.03440	6.9
69.07078	9.2
70.95741	2.9
71.04981	8.4
79.05499	11.9
81.07070	9.8
83.04976	3.3
83.08628	2.9
85.06535	4.2
91.05489	24.5
93.07058	19.5
93.88630	1.4
95.04962	6.1
95.08614	13.1
97.06529	7.6
99.08047	1.4
103.05461	3.3
105.07041	44.2
107.04964	2.0
107.08611	32.2
109.06527	13.8
109.10174	18.2
111.08093	2.8
115.05411	3.0
116.06304	1.3
117.07028	8.5
119.08588	12.7
121.06535	9.9
121.10160	22.1
123.08093	12.1
123.11682	1.4
124.00652	1.2
129.07007	3.8
130.07803	1.8
131.04959	1.9
131.08578	40.5
133.10143	100.0
135.08069	27.4
135.11725	6.2
143.08562	6.2
144.09337	2.1
145.06496	1.4
145.10143	20.9
147.08150	1.5
147.11687	12.3
149.09650	7.1
149.13283	13.8
150.10403	1.9
158.10904	9.9
160.05060	1.9
161.09659	2.2
163.07552	2.1
163.11182	4.1
163.14825	3.1
173.09743	2.5
173.13284	50.0
191.07053	3.0
191.10713	7.2
191.14326	93.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.01856	3.4
55.05500	5.4
57.07071	1.8
65.03941	1.5
67.05505	18.1
69.03439	7.2
69.07067	8.9
71.04993	7.9
71.43384	1.9
79.05496	13.8
81.07053	12.9
83.04974	3.8
83.08619	2.6
85.06547	4.3
91.05476	19.6
93.07043	14.4
95.04976	10.6
95.08604	13.0
97.06530	4.2
100.85728	1.7
105.07032	29.4
107.08590	33.6
109.06518	29.2
109.10159	63.2
115.05453	4.1
116.06279	2.2
117.07016	5.9
119.08608	9.5
121.06490	4.9
121.10146	16.7
123.08044	11.0
129.06960	3.8
131.08571	39.7
133.10132	57.8
135.08055	81.3
135.11670	3.4
137.09572	2.9
143.08563	6.6
144.09351	2.3
145.10135	11.6
147.08063	3.0
147.11696	8.9
148.08742	1.6
149.09659	13.5
149.13263	9.6
149.14236	1.5
150.10361	4.2
158.10925	10.4
161.09573	4.3
163.07513	1.8
163.14845	2.2
170.27557	1.4
173.13260	45.3
176.11900	3.9
189.12695	2.0
191.10606	3.6
191.14305	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
51.55330	0.5
55.01865	1.3
55.05512	4.4
57.07070	1.1
65.03933	0.7
67.05505	3.7
69.03434	16.4
69.06743	0.6
69.07077	6.4
69.18684	5.7
71.04980	1.2
79.05109	0.5
79.05501	4.4
81.07044	2.1
83.04984	15.5
83.08614	1.5
85.06554	0.9
91.05490	7.0
93.07060	7.1
94.62511	0.6
95.04960	1.7
95.08595	3.6
96.16583	0.6
97.06513	2.7
98.20772	0.9
105.04423	0.5
105.07040	8.9
105.89740	0.6
107.04952	0.7
107.08602	22.4
109.06534	2.5
109.10138	1.3
111.08056	0.9
115.05422	0.8
117.06995	2.2
119.06063	0.7
119.07965	0.4
119.08607	5.6
121.06519	6.6
121.09339	0.9
121.10156	11.8
123.08058	1.7
129.07022	1.2
131.08574	9.8
133.06447	0.7
133.10138	13.2
135.07005	0.7
135.08060	15.2
135.11676	2.5
136.08833	0.9
143.08580	4.0
144.09348	1.2
145.10159	5.9
147.08067	0.9
147.11708	5.9
148.08861	1.1
149.09641	10.7
149.13280	4.7
158.10934	7.3
161.09637	5.7
163.14821	1.3
171.11661	0.7
173.11790	0.9
173.13281	16.4
176.11974	3.2
191.14317	100.0
192.14731	1.0
195.90775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.98164	0.6
53.03938	1.6
55.01862	3.1
55.05511	7.3
57.03433	1.1
57.07070	1.7
59.04987	1.4
60.52316	0.6
63.39123	0.7
65.03915	1.5
67.05505	19.1
69.03137	0.7
69.03433	8.1
69.07076	8.5
71.04993	9.1
71.50912	1.1
79.05067	1.3
79.05495	16.4
81.07056	14.0
83.01279	0.8
83.04978	4.4
83.08621	3.9
85.06542	4.9
91.04911	1.2
91.05482	23.7
93.06484	1.2
93.07047	17.6
95.04975	11.3
95.08608	17.0
97.06524	5.5
97.77006	0.7
103.05463	6.1
105.07036	34.1
107.04955	3.6
107.08601	34.1
109.02825	0.8
109.06520	33.0
109.07269	1.6
109.10159	51.3
111.08070	1.9
115.05472	3.5
117.07019	10.2
118.04131	1.5
118.06614	0.9
119.06015	0.8
119.08588	13.6
121.06488	6.6
121.10146	20.0
123.07211	0.8
123.08068	11.7
123.11665	1.1
128.06209	1.2
129.07034	4.8
130.04184	1.0
130.07791	1.6
131.04985	3.8
131.08571	51.5
132.08870	0.7
133.06468	2.6
133.10135	74.1
134.10519	0.9
135.08057	60.5
135.11691	8.5
136.08817	1.5
143.08574	7.5
144.09348	3.4
145.06503	2.2
145.09052	1.3
145.10121	17.3
146.06006	1.1
147.08043	3.0
147.11684	8.3
148.05179	1.9
148.08849	2.7
149.05945	1.1
149.09625	13.4
149.13266	10.8
150.10397	3.0
158.10922	11.8
160.05074	4.7
161.09607	3.9
163.03828	0.9
163.07526	5.0
163.11162	4.2
163.14787	2.3
171.11678	1.1
173.05988	0.9
173.09669	3.2
173.13271	46.5
174.13596	0.9
176.04761	1.0
176.08278	1.2
176.11993	3.1
191.03365	2.7
191.06958	6.3
191.10718	11.7
191.14310	100.0
192.06403	1.2
192.10309	0.8
192.14743	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01856	1.8
55.05514	5.4
57.07066	2.1
59.04980	0.7
61.26906	0.5
65.03925	1.0
67.05503	4.0
68.68504	0.5
69.03435	15.3
69.07074	7.6
71.04999	1.4
75.46949	0.6
76.81500	0.6
79.05140	0.6
79.05502	6.7
81.07064	5.0
81.79744	0.5
83.04988	13.8
83.08615	2.2
85.06534	1.4
91.05486	8.5
93.07047	8.4
95.04963	2.2
95.08619	3.8
97.06519	2.4
98.20741	1.7
103.05457	1.5
105.07048	9.3
107.04948	3.1
107.08601	23.8
109.06538	2.9
109.10168	3.8
111.08037	0.9
115.05484	0.9
117.07038	3.0
119.06095	0.7
119.08598	7.2
121.06546	6.9
121.10158	13.6
123.08055	2.5
129.07027	1.4
130.07776	0.9
131.04892	0.8
131.08586	11.4
133.10146	13.4
134.10895	0.8
135.08069	17.5
135.11665	4.1
136.08820	1.9
137.09589	1.2
143.08562	4.7
144.09344	0.8
145.10136	5.3
147.08029	1.3
147.11681	8.0
148.05150	0.7
148.08858	0.9
149.09636	5.9
149.13266	6.2
158.10934	8.1
160.05063	1.7
161.09637	6.6
163.07520	1.3
163.11174	0.9
163.14844	1.7
169.69513	0.6
173.13283	15.8
176.04625	0.8
176.11972	2.9
188.37466	0.6
191.03435	0.6
191.06984	1.5
191.10667	2.1
191.14325	100.0
191.17978	2.1
192.14676	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39213	1.0
55.01866	2.7
55.05510	4.4
57.07075	1.9
60.09407	1.3
61.03511	1.2
65.03920	1.4
67.05505	16.2
68.92582	1.0
69.03436	7.5
69.07077	9.5
71.04990	10.6
74.41250	1.0
75.63329	1.2
79.05504	9.9
81.07056	10.7
83.04978	5.5
83.08618	3.6
85.06535	4.4
91.05483	14.8
93.07046	12.6
95.04987	9.4
95.08623	12.3
97.06519	4.8
103.05481	1.9
105.07028	17.3
107.04962	2.2
107.08593	32.8
109.06523	16.8
109.10160	50.8
111.08039	1.8
116.06227	2.4
117.07008	5.1
119.08577	11.1
121.06497	7.4
121.10152	22.0
123.08057	10.3
126.33181	1.1
129.07011	3.3
130.07747	1.6
131.08566	35.0
133.06470	1.3
133.10135	19.7
135.08060	58.0
135.11707	4.3
143.08554	5.4
144.09329	1.4
145.10133	9.3
147.08049	1.5
147.11742	10.5
148.08842	1.9
149.09625	9.3
149.13261	7.6
150.10379	2.8
158.10912	8.9
160.05110	1.3
161.09636	4.7
163.11223	1.8
163.14862	1.9
173.11766	1.9
173.13272	35.9
176.11954	2.6
180.47836	1.1
185.04442	1.3
191.07030	1.8
191.10658	4.2
191.14311	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03939	2.2
55.05500	5.2
65.03932	2.3
67.05505	16.6
69.03430	6.6
69.07059	8.4
69.70341	1.7
70.72554	2.8
70.72900	4.1
71.04650	1.9
71.04983	10.1
79.05505	16.2
81.07059	13.4
83.04993	4.9
83.08624	4.8
83.78092	1.8
85.06535	5.8
91.05482	21.2
91.17738	1.9
93.07059	18.6
95.04951	10.1
95.08613	17.5
97.06540	9.5
105.07041	39.4
107.04977	3.1
107.08611	30.3
109.06529	34.0
109.10165	65.2
111.08079	3.0
115.05456	3.6
117.07024	8.3
119.08590	12.9
121.06507	6.9
121.10152	18.4
123.08098	16.9
125.56354	1.8
129.07018	5.3
130.07872	3.3
131.08577	60.7
133.06525	3.7
133.08479	3.7
133.10139	98.4
135.08066	67.4
135.11670	4.8
143.08569	7.4
144.09320	2.9
145.10114	20.8
147.04474	2.3
147.11691	7.5
149.09618	12.6
149.13277	9.4
150.10416	4.1
158.10927	15.4
161.09628	4.8
163.11171	4.9
173.13275	64.0
191.07062	3.7
191.10696	6.8
191.14334	100.0
191.16209	11.6
191.17918	4.2
208.90218	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05502	3.0
57.07043	0.8
63.59185	0.6
67.05493	1.7
69.03436	9.8
69.07052	3.2
71.35312	0.9
79.05485	2.1
81.07054	1.9
83.04987	8.7
83.08591	1.1
91.05478	4.5
93.07036	3.6
95.08584	1.7
95.24337	0.8
95.32178	0.7
97.06486	0.9
97.82178	0.7
103.05473	0.9
105.07021	4.7
107.04920	0.8
107.08603	16.1
109.10135	0.7
117.07022	1.0
119.08595	4.4
121.06509	3.8
121.09349	0.9
121.10155	9.2
123.08052	1.2
131.08577	7.6
133.10144	8.1
135.08044	9.7
135.11700	2.0
136.08870	0.9
137.09694	0.9
143.08560	2.2
145.10155	3.9
147.11720	5.3
149.09637	3.2
149.13280	3.4
158.10963	4.4
161.09624	3.3
163.07637	0.7
163.14847	1.1
173.13278	11.2
176.11998	1.5
191.14319	100.0
192.14607	1.5
204.61748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56755	1.3
55.05515	8.1
57.03438	1.7
57.07064	1.5
67.05513	6.6
69.03436	10.7
69.07076	11.0
69.86040	6.1
71.04977	2.8
79.05501	13.1
81.07078	12.4
82.14359	1.4
82.44376	1.4
83.04993	10.5
83.08627	3.1
85.06537	3.7
90.50488	1.5
91.05484	16.1
93.07056	22.6
95.04970	5.8
95.08620	16.5
97.06566	7.1
98.21484	2.7
103.05470	6.4
105.06390	2.2
105.07041	25.6
107.04960	9.3
107.08607	48.0
108.18357	1.5
109.06540	11.1
109.10184	7.0
111.08068	3.7
115.05476	2.5
117.07014	3.9
119.08607	16.0
121.06512	21.5
121.10153	35.8
123.08077	9.8
129.07021	3.9
131.04913	3.5
131.08582	28.9
133.02811	2.1
133.10139	28.6
135.08060	16.1
135.11691	6.4
137.09641	2.1
143.08556	5.9
144.09355	2.6
145.10127	12.1
147.11708	16.3
148.05176	1.4
149.09642	24.0
149.13275	15.5
158.10915	8.9
160.05048	2.7
161.09644	3.1
163.07553	4.0
163.11194	6.1
163.14775	10.0
173.09607	1.7
173.13269	33.2
191.07045	3.9
191.14326	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.3
63.21355	0.2
67.05493	0.5
70.62465	0.3
70.62815	0.6
79.05489	0.3
79.26508	0.2
81.07040	0.3
91.05475	0.4
100.08514	0.3
105.07038	0.4
107.08584	0.6
109.06475	0.3
109.95773	0.3
132.08099	29.4
133.08777	0.5
133.10153	1.2
144.08089	0.4
146.09662	10.7
147.10451	3.2
148.11188	0.7
160.11229	11.0
161.12000	0.8
173.13327	0.5
174.12807	0.9
175.13568	0.3
188.14284	0.3
188.50800	0.3
190.15918	100.0
191.14316	1.5
191.16277	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	190.1262
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99065	0.8
51.49410	0.5
57.07079	23.2
59.99113	5.2
67.05495	0.7
70.90739	1.1
78.00156	37.9
79.05493	0.9
81.07077	1.0
82.35231	0.5
84.08141	0.9
86.06090	0.6
86.09711	8.9
88.02193	0.7
91.05468	1.2
92.01689	0.6
93.07056	1.2
99.43465	0.5
103.05508	0.7
105.03381	0.6
105.07024	1.7
106.07356	0.7
107.04905	0.6
107.08585	1.6
108.04453	0.5
109.10155	1.2
116.05283	0.5
117.07016	0.9
119.08587	1.3
120.04498	0.5
120.08098	0.8
120.08939	0.9
121.06499	0.8
121.10136	1.1
121.67288	0.5
131.04988	0.6
131.08582	1.2
133.10129	1.6
134.06358	46.1
134.10503	0.8
135.08038	2.0
143.16736	0.6
145.10115	1.5
147.04407	2.3
148.05179	0.6
148.07904	3.5
148.11967	0.6
149.02365	1.4
149.09608	0.6
149.13264	0.6
157.09790	0.6
162.05513	0.8
163.07524	0.6
172.04266	0.5
172.11998	0.7
173.09631	0.8
175.03915	1.4
179.23688	0.7
190.04791	1.2
190.06488	2.4
190.08847	2.0
190.12614	100.0
191.07007	0.8
191.10634	1.4
191.12915	0.9
191.14366	3.6
191.17990	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.05
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
51.42985	0.3
55.01881	0.4
56.18819	0.3
56.96569	2.6
61.59149	0.3
65.03949	0.3
67.05497	0.3
69.03436	1.0
71.51099	0.5
73.02956	0.4
79.05511	0.5
80.05057	0.4
81.03434	0.5
85.02910	1.3
85.06598	0.3
87.04488	0.5
89.03935	1.1
91.05482	0.9
97.02908	1.5
98.97593	1.4
101.00770	0.4
102.25494	0.3
103.05499	0.4
105.07048	0.5
106.02924	0.3
106.06558	0.5
107.04945	0.4
116.04986	4.7
116.98605	0.7
117.03377	0.4
117.07022	0.5
118.06547	0.5
119.01892	0.3
119.08568	0.4
120.08118	0.3
121.02879	4.2
121.06509	0.7
123.71397	0.3
125.62393	0.3
127.03953	0.4
128.98610	0.5
130.96313	0.5
131.04922	0.5
131.08591	0.5
133.10092	0.3
134.06029	0.4
144.04449	2.2
145.04912	0.4
145.06511	0.7
145.10159	0.4
146.05991	0.4
146.99641	0.3
148.97362	1.0
151.00667	0.4
162.05515	100.0
163.05931	1.8
163.07104	0.4
169.01746	0.5
172.03969	0.5
172.07617	0.3
187.02757	0.6
190.05003	33.6
190.08380	1.9
191.03392	0.4
191.05371	0.6
191.06981	0.6
191.14230	0.4
194.99666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06789	0.8
55.05516	1.2
65.03922	1.1
67.05493	2.6
68.48573	1.0
69.03410	2.5
71.36204	1.8
74.48519	1.0
79.05476	3.0
81.07062	2.2
83.04962	0.9
91.05492	11.5
93.07058	2.2
95.04976	37.8
105.07040	13.8
107.08604	28.5
109.06521	11.7
112.49921	0.9
115.05399	0.9
117.07063	4.6
117.14631	0.9
119.08578	18.1
123.08084	2.3
128.06194	4.2
129.06996	5.6
130.07784	1.9
131.08592	9.7
133.06497	2.6
133.10158	4.4
141.06992	3.3
142.07771	1.3
143.08586	8.2
145.06487	2.9
145.10126	11.6
146.07294	6.8
147.08066	12.1
147.11719	10.5
155.08563	1.2
156.09366	22.2
159.08038	3.6
159.11731	5.1
160.08862	9.7
161.09596	4.6
161.13206	2.3
171.11694	24.7
174.06796	1.6
174.10429	5.8
180.77167	1.1
186.60728	1.3
186.62486	0.8
189.09227	4.4
189.12755	100.0
189.16270	2.2
190.13057	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20919	1.4
67.21089	1.4
69.03412	6.2
79.05479	2.1
83.04976	1.7
91.05477	8.2
93.07069	2.1
99.79713	1.5
105.06411	1.7
105.07040	18.0
107.08554	3.1
117.07016	4.8
119.08576	21.5
121.06517	2.2
128.06227	4.6
129.07027	3.5
130.07799	4.5
131.08549	8.3
133.06453	3.7
133.10114	7.3
141.07001	10.5
143.08560	5.8
144.09337	3.1
145.06517	1.7
145.10130	17.1
146.10875	2.5
147.08041	15.5
147.11679	16.8
155.08601	3.0
156.09358	53.0
159.08067	10.4
159.11702	13.8
160.08890	2.9
161.09605	5.3
161.13251	3.1
171.11696	63.6
174.10428	10.3
189.12750	100.0
190.13020	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.8
55.51568	1.2
61.82300	1.2
67.05510	2.1
69.03434	8.1
69.07053	2.3
69.51532	1.2
69.91652	4.9
79.05526	1.5
81.07063	1.3
83.04955	1.4
91.05479	7.6
93.07037	3.3
98.20822	1.4
105.07046	15.1
107.08594	2.8
109.06554	1.6
115.05428	2.0
117.06988	3.6
119.08589	28.0
121.06515	1.4
121.10104	1.4
128.06236	3.4
129.07034	4.1
130.07794	5.6
131.08583	6.2
133.06502	2.8
133.09172	1.5
133.10136	9.5
135.08044	2.8
137.34727	1.2
139.77670	1.2
141.07014	8.6
143.08568	5.6
144.09335	3.1
145.06480	2.4
145.10129	18.7
146.10861	1.5
147.08051	11.3
147.11699	17.1
147.99007	1.3
155.08565	3.1
156.09358	49.6
159.08069	12.2
159.11728	13.4
160.08769	3.4
161.09650	6.7
161.13258	12.5
171.11708	58.0
174.10419	19.8
189.12756	100.0
190.13109	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68188	1.0
55.05511	1.3
63.14503	1.0
63.17445	1.0
69.03432	5.0
70.44446	0.9
70.86411	2.4
79.05467	1.5
81.07072	1.9
91.05492	6.3
93.07044	1.9
95.08549	1.0
105.07037	13.9
107.08612	3.0
109.53389	1.1
115.05461	2.4
117.07013	4.0
119.08592	21.5
121.06456	1.1
128.06248	3.4
129.07018	5.7
130.07845	4.8
131.08563	7.4
133.06488	2.7
133.10136	4.1
141.06975	10.2
143.08569	7.4
144.09299	2.4
145.06454	1.3
145.10133	18.5
147.08063	8.9
147.11688	13.7
155.08577	3.7
156.09361	61.0
159.08093	6.2
159.11711	16.0
160.08835	2.2
161.05939	1.0
161.09569	1.9
161.13307	1.3
171.11700	72.2
172.12038	1.8
174.10420	9.3
189.12756	100.0
190.13039	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42530	1.4
52.35972	1.4
55.63765	1.3
58.66386	1.3
60.62244	1.2
66.85714	1.4
67.05480	1.3
68.09515	1.2
69.03419	5.2
70.97205	3.1
79.05495	1.3
81.07038	1.9
91.05486	10.1
95.04962	2.6
103.05463	2.4
105.07034	16.8
115.05436	2.6
117.07020	3.3
119.08589	32.3
128.06218	5.6
129.07021	7.2
130.07764	5.1
131.08537	7.3
133.06482	3.3
133.10164	8.0
141.00262	1.6
141.07001	10.0
143.08569	6.6
144.09383	2.7
145.06421	2.0
145.10132	26.4
146.07211	1.7
146.10843	1.4
147.08107	8.4
147.11687	16.2
155.08603	1.5
156.09355	65.4
159.08069	6.2
159.11685	15.2
161.05992	1.8
161.09648	3.3
161.13286	4.3
166.74091	1.3
171.11697	65.1
174.10410	10.7
189.09161	4.2
189.12752	100.0
193.62347	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
71.00028	1.1
71.00364	0.7
91.05493	6.2
103.05495	0.6
115.05471	6.8
116.06250	0.7
117.05755	1.9
117.07028	6.9
118.06549	80.2
119.06862	0.8
126.88136	0.5
130.75757	0.5
132.08113	0.8
142.06532	6.6
143.06215	1.0
143.07317	14.5
144.04456	1.1
144.08090	26.4
146.06018	100.0
147.06351	1.7
152.94298	0.6
155.06067	0.9
160.07521	0.8
170.06026	9.6
188.07088	19.2
188.08813	0.9
197.95900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06849	0.4
69.35484	2.3
69.35910	1.6
84.18056	0.5
91.05482	4.8
92.70659	0.4
103.05502	0.5
114.49630	0.5
115.05466	6.5
117.05764	1.2
117.07032	4.3
117.63722	0.4
118.06554	74.0
119.06875	0.8
121.59850	0.4
132.08104	1.0
142.06538	6.4
143.07327	13.5
143.08434	1.0
144.04437	1.3
144.08102	24.5
145.06557	0.6
145.08456	0.6
146.06024	100.0
147.06357	1.9
155.06050	1.5
157.79230	0.5
160.07631	1.2
170.06029	9.8
188.07088	19.7
189.07539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.133
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
55.05514	12.6
57.03439	2.6
57.06586	2.6
57.07078	4.6
65.52210	2.4
67.05181	4.1
67.05511	63.7
69.03428	8.8
69.07068	9.7
70.41380	9.0
71.05000	70.6
79.05503	16.9
81.03445	2.9
81.07066	56.1
82.06576	9.6
83.04992	4.7
84.04510	5.3
84.32619	2.4
85.02896	2.9
85.06550	100.0
88.02241	6.2
91.05496	43.3
93.07039	22.2
95.08599	7.2
95.82511	2.4
97.06549	4.5
103.05448	3.1
105.07035	56.6
105.07699	4.5
107.08601	36.0
109.06551	3.5
109.09464	5.3
109.10162	57.9
115.05471	6.8
115.72765	2.9
117.07014	7.2
119.08617	4.5
120.82333	2.4
123.11703	9.3
127.03905	2.5
129.07001	6.3
131.04959	8.7
131.08597	15.4
133.10141	72.9
144.05730	5.3
144.09369	3.6
145.10149	22.9
146.05998	4.9
151.11195	35.7
159.08075	13.5
159.11728	13.1
169.12257	11.2
172.08847	6.9
185.92337	2.5
187.03851	13.0
187.07578	11.3
187.11133	14.6
187.14861	18.7
188.07043	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	187.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09924	0.7
50.45929	0.7
55.01877	9.0
55.05307	0.7
55.05521	7.7
56.05032	2.1
56.96569	1.8
57.03433	1.2
57.07089	1.0
67.05515	4.2
69.03436	4.9
69.07070	2.4
69.93652	3.9
70.02959	0.8
70.06594	2.3
70.68387	0.7
71.01340	0.9
71.04991	2.5
72.08157	4.7
73.06514	1.0
79.05486	3.7
79.17271	0.8
81.03426	7.1
81.07059	30.5
82.06581	8.3
83.04977	2.9
83.08624	17.2
84.04523	4.1
84.08143	3.4
85.02918	3.8
85.06547	5.2
87.04462	1.1
88.02223	6.6
91.05499	2.9
93.07034	1.0
94.17096	0.7
95.04966	1.5
96.04482	0.9
96.08128	1.5
97.02898	1.9
97.06525	0.8
98.09697	28.0
98.97575	0.9
99.04444	1.4
100.07643	1.6
105.03389	1.0
105.07025	1.5
107.08540	1.0
108.08144	5.1
109.02874	1.9
109.06533	6.1
109.10169	1.2
111.04438	1.1
115.05431	5.8
117.07007	1.6
118.06558	4.8
123.08092	1.3
124.07590	1.7
126.09166	41.0
127.03931	2.9
127.07555	1.8
128.02275	1.1
128.07062	1.5
129.07011	2.1
131.04910	10.7
131.08574	2.6
141.05530	0.9
141.07021	2.8
141.10202	1.0
142.06583	0.9
142.08652	1.7
143.04956	2.6
143.07297	0.8
144.05701	1.8
144.08096	1.8
144.95825	2.4
145.06456	1.0
145.10202	1.8
146.06041	8.2
151.08662	7.6
158.07274	1.0
159.04485	0.9
159.06972	1.7
159.08098	5.1
159.11696	2.3
162.96889	1.4
164.02190	1.0
169.06642	2.1
169.09735	100.0
170.06009	2.5
170.08145	1.2
170.10036	0.8
172.05188	1.1
172.08769	1.4
173.00838	2.8
181.02930	0.8
182.03242	1.3
187.03928	21.7
187.05949	1.7
187.07541	6.8
187.10866	11.3
188.07010	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	185.0446
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
51.02383	1.1
53.03943	0.7
55.01878	1.3
65.03931	0.9
67.05508	6.8
69.03434	3.1
70.97962	0.9
70.98296	0.7
77.03927	0.7
77.85780	0.7
79.01851	6.2
81.03407	1.0
93.22740	0.5
95.04977	10.7
97.02912	3.3
105.03415	1.2
107.01321	37.9
108.02105	2.1
109.02870	2.2
121.78621	0.5
123.04440	19.3
123.05341	0.9
125.02360	27.7
125.17798	0.5
126.03140	57.1
127.03908	2.2
134.74847	0.5
135.00775	6.9
141.05505	2.4
143.03389	1.9
153.01836	100.0
154.02173	0.9
167.03394	0.7
171.02911	9.6
185.04474	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	185.0447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.9
53.03935	0.7
55.01862	1.6
65.03933	1.9
67.05511	7.5
69.03436	2.5
70.03412	2.4
77.03905	0.8
79.01855	7.2
81.03407	1.3
85.06546	0.5
95.04968	9.8
97.02901	3.6
98.20798	0.5
104.03700	0.4
105.03391	0.9
106.02617	0.5
107.01321	42.3
108.02098	1.7
109.02898	1.6
123.04439	18.6
125.02359	32.0
126.03142	56.4
127.03895	1.8
135.00778	6.5
141.05486	2.6
143.03427	1.9
149.03900	0.4
153.01839	100.0
153.02820	3.8
154.02200	1.7
171.02898	11.6
176.91055	0.5
185.04472	6.7
194.34085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
50.98497	0.4
53.09300	0.4
56.05036	2.1
58.06610	0.9
60.08166	19.5
61.08538	0.4
70.06593	0.5
71.07377	12.7
80.41640	0.3
86.09708	100.0
87.10060	1.2
95.04967	0.9
98.98471	19.8
101.95042	7.5
104.10758	4.3
107.01319	1.2
119.96065	2.1
123.04414	0.7
125.00008	83.7
126.00337	0.5
126.03146	1.4
137.97112	1.0
138.09200	0.6
153.01833	2.9
166.08644	0.8
171.02872	0.7
184.07347	92.6
185.07722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05027	1.5
58.06609	0.9
60.08164	18.7
67.05504	0.4
69.20072	2.9
69.20487	0.8
70.06592	0.6
71.07374	12.8
78.17725	0.4
85.51476	0.3
86.09705	100.0
86.27718	0.3
87.10048	1.0
98.98463	19.6
101.95033	8.4
101.96141	0.4
104.10744	4.6
106.03757	0.3
107.00632	0.4
107.01321	0.9
119.96078	2.7
123.04420	0.7
125.00003	80.1
126.03171	2.0
137.17627	0.3
137.97124	1.0
138.09142	0.6
151.37268	0.3
153.01837	3.6
160.98767	0.8
166.02647	0.4
166.08563	0.5
171.02884	0.4
184.07343	90.3
185.07658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
55.05504	0.6
56.05050	0.9
58.06610	0.9
60.08166	19.2
70.06593	0.9
71.06986	0.7
71.07378	12.4
86.09707	100.0
87.10045	1.4
98.98467	19.9
101.95030	8.3
104.10739	4.6
105.03397	0.4
107.01306	0.8
107.32600	0.4
108.80767	0.5
110.06072	0.7
113.79430	0.4
119.96088	2.8
125.00007	80.4
126.00268	0.4
126.03104	0.9
137.97122	1.2
138.09081	1.0
140.07042	0.4
143.01077	0.6
153.01805	2.0
155.98138	0.6
157.10117	0.5
160.98700	0.7
166.05147	0.4
166.08609	0.5
171.02850	0.6
184.07346	91.7
185.07684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.91163	0.2
71.15771	0.4
82.01407	0.3
82.99847	7.0
100.02509	0.3
101.00887	54.8
101.95031	2.2
102.00979	1.1
106.93173	0.2
111.00422	0.7
119.01928	100.0
119.96044	0.5
120.01977	2.3
121.02350	0.5
121.11814	0.3
124.02454	3.5
137.02965	13.2
142.03505	20.4
143.01921	1.1
143.03656	0.8
153.01799	0.4
160.04567	2.9
161.02971	11.1
161.04320	0.4
162.03212	0.3
165.05096	0.3
166.64728	0.3
179.04021	9.1
184.04666	0.3
184.09692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20832	0.5
55.01875	1.3
56.96568	5.2
57.03437	2.2
61.02927	1.2
68.98284	0.6
69.03442	3.4
69.94476	2.3
70.03760	0.5
70.98103	1.3
70.99840	0.6
71.06120	1.1
71.95260	1.1
73.02921	2.9
76.31772	0.4
81.03419	0.9
82.99842	7.8
84.07050	0.5
85.02918	2.8
86.99310	0.7
97.01434	0.7
97.02898	2.7
97.66479	0.4
98.97608	4.2
100.02509	0.7
101.00886	60.6
101.95018	0.7
102.00951	2.9
102.96896	0.7
103.00613	1.0
103.01257	0.6
109.02862	0.5
110.01293	0.8
110.97559	1.4
111.00396	0.7
113.00869	0.7
114.00999	0.8
115.00610	1.7
115.02451	2.0
116.98621	1.2
119.01924	100.0
120.01959	3.4
121.01620	0.8
121.02475	0.5
122.03066	0.5
124.02456	3.9
124.95451	0.9
124.99139	0.5
125.00021	0.6
125.00858	0.7
125.07124	0.9
127.02437	0.7
127.03916	1.0
128.02303	0.6
128.98616	1.0
131.00166	0.6
131.01883	1.5
133.01620	1.1
133.03473	1.3
137.02959	14.1
138.05486	0.8
138.53535	0.7
140.02354	0.4
142.03503	21.8
142.96532	0.6
143.00130	1.1
143.01920	6.1
143.03671	1.0
144.02008	0.9
145.01668	1.1
146.99628	0.8
148.03915	0.9
153.54175	0.5
155.01868	1.0
156.02019	1.0
156.03250	0.6
157.01735	0.8
157.03537	0.9
160.04555	2.9
161.02963	23.3
162.03117	1.3
166.03577	0.6
166.05008	1.3
174.03085	0.9
175.02791	0.8
179.02411	0.5
179.04024	10.0
184.04559	3.8
185.02982	1.3
186.03203	0.9
187.02747	0.6
202.05666	0.6
203.04091	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1542
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
53.03921	0.7
55.01864	1.0
55.05277	0.6
55.05519	7.9
57.03428	1.6
57.07073	2.9
58.02966	34.2
65.03957	0.6
67.05512	21.6
69.07074	63.2
70.06602	3.2
70.07404	1.2
72.08144	0.9
74.06059	1.0
74.35737	0.6
79.05505	6.3
81.07064	21.8
82.06578	1.2
83.04961	2.4
83.08620	7.4
84.08148	9.7
86.06052	1.2
91.05494	5.4
93.07047	10.4
95.04964	2.9
95.08613	7.3
97.06534	4.6
98.06049	2.8
98.09688	1.9
98.97547	0.9
100.07622	6.6
105.07040	14.7
107.08607	20.5
108.08173	1.0
108.08840	0.8
109.06512	2.8
109.10165	49.7
110.10481	1.5
111.08097	0.9
112.07607	1.9
112.11187	0.6
114.09176	12.9
116.98582	0.9
119.08604	1.2
121.10152	2.2
122.10498	0.8
123.08077	0.6
123.11715	7.6
124.11205	1.2
126.09176	11.7
126.12816	1.8
128.10788	1.0
131.08606	0.6
133.10141	26.7
135.11710	17.6
136.07605	1.1
136.12012	0.6
137.13168	0.8
138.12796	24.0
139.13147	0.7
140.10728	1.7
140.14294	0.8
147.11719	6.0
148.77522	0.6
151.11206	9.3
153.12764	13.2
154.08624	0.6
154.15816	1.2
155.08655	0.6
164.11537	1.9
164.14352	2.7
165.12758	2.8
182.08119	1.4
182.15419	100.0
183.15771	2.2
203.21506	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03939	5.0
53.80046	2.1
55.01859	2.3
55.05505	6.9
57.03440	3.0
58.02954	4.2
58.49841	1.9
65.03931	5.2
65.48460	2.0
67.05512	19.5
69.03426	3.5
69.07057	6.4
69.99426	5.9
69.99830	5.2
70.06595	2.5
79.05070	2.5
79.05507	32.1
80.05022	4.6
81.03458	1.9
81.07066	40.9
82.06567	3.1
83.04978	3.9
84.08150	4.3
86.02428	5.5
91.05478	9.4
92.05001	2.4
93.05822	11.0
94.06572	5.3
95.04975	16.0
95.23880	2.1
96.04505	2.6
96.08153	3.2
97.06553	14.0
98.06061	4.5
98.09645	2.9
98.21402	3.6
98.64441	2.2
98.97604	5.1
98.98437	3.6
106.06563	4.7
107.07323	4.6
108.04486	4.1
108.07443	3.9
108.08137	57.4
108.08879	4.7
109.06519	8.7
110.06027	7.1
111.04447	2.8
112.89436	2.4
118.06558	3.2
119.08620	2.8
120.04419	3.3
121.05295	4.0
122.06021	4.7
122.10477	2.6
123.04434	9.4
124.07574	2.8
125.05995	31.2
126.04695	3.0
126.05538	32.6
126.09158	20.6
127.91538	2.0
130.26698	2.0
134.06042	2.6
136.07588	100.0
137.05986	5.2
138.05464	5.9
140.04721	3.7
153.07819	3.8
154.08650	32.2
164.04256	3.3
164.07083	91.5
182.00941	2.6
182.04817	10.2
182.08142	96.5
182.11685	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
50.50129	0.9
53.03936	1.7
55.01866	2.1
55.05512	1.3
57.03442	1.0
57.07076	22.1
59.04989	2.8
60.75203	0.9
65.02388	1.0
67.05495	1.5
69.03410	1.2
69.07055	3.4
79.05499	7.9
81.03426	6.9
81.07045	3.3
83.04982	47.8
85.06538	0.9
91.05472	3.5
93.07062	7.5
95.04970	15.2
97.06534	25.1
98.06822	1.4
99.05569	2.5
105.07033	5.2
107.04954	2.8
107.08607	11.7
107.86998	0.8
109.06617	0.9
117.07047	2.6
119.08574	3.4
121.06527	4.7
121.10145	14.4
125.05997	65.3
130.07764	2.3
130.79291	0.8
133.06474	0.8
135.11673	6.4
145.10118	11.2
163.11186	100.0
164.11520	2.1
181.12236	29.5
182.49677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
51.02380	1.5
53.03951	5.0
55.01862	3.5
55.05270	1.1
55.05511	15.2
56.96566	4.9
57.03420	2.0
57.07072	6.7
59.04988	1.2
65.03940	4.6
65.15835	0.8
67.05503	14.4
69.03431	4.1
69.07076	7.7
71.01347	0.9
71.04977	2.6
71.24908	1.5
71.95275	1.9
75.04476	1.3
77.03931	1.4
77.88872	0.8
79.05501	15.6
81.03415	1.7
81.07058	14.3
83.04983	14.3
83.08616	2.3
85.02896	1.6
85.06538	2.3
91.05482	19.6
93.03388	1.8
93.07043	39.4
95.04974	12.3
95.08605	20.9
97.02875	2.8
97.06529	22.0
98.97587	48.0
99.04414	1.1
103.05466	6.4
105.04492	1.5
105.07035	9.9
106.04157	2.4
107.04955	4.7
107.08597	31.2
109.06527	5.3
109.10143	5.3
110.07277	1.1
111.04446	24.3
111.08081	10.3
112.07618	0.7
113.05980	1.2
116.97830	1.5
116.98629	27.5
117.07007	3.6
119.04948	1.5
119.06026	1.4
119.08568	5.4
121.02882	1.4
121.06512	16.4
121.10156	12.6
122.07302	1.1
123.04409	1.9
123.08065	4.0
125.05997	76.9
125.09621	1.4
130.07793	2.1
134.03696	1.2
134.99654	12.1
135.04424	2.6
135.08067	11.8
135.10889	1.1
135.11690	28.2
136.07521	0.9
136.12032	1.2
137.06047	1.2
137.09622	1.3
138.06763	9.6
139.03888	1.6
139.07564	3.7
140.00189	1.8
145.10132	17.1
149.05965	7.3
151.03918	0.7
153.05473	8.0
153.06664	1.3
153.09116	2.6
153.12730	7.7
154.08531	1.0
158.01265	3.0
163.03909	2.3
163.07535	1.4
163.11183	29.9
165.07048	1.1
166.07771	1.9
181.01323	2.9
181.04939	8.5
181.06334	1.8
181.08614	5.3
181.10272	3.0
181.12234	100.0
182.12660	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03947	2.1
55.01470	1.0
55.01866	2.0
55.05523	8.7
55.87136	1.1
56.08041	1.2
57.03430	1.4
57.06826	1.9
57.07079	20.4
59.04994	2.5
59.53556	1.5
67.05500	4.0
69.03412	4.3
69.07057	4.3
70.50200	3.7
71.04997	2.3
79.05489	9.5
80.82827	1.1
81.03422	6.2
81.07066	6.7
83.04987	51.8
83.08623	14.2
91.05488	6.9
93.07037	11.6
95.04974	16.9
95.08623	2.5
97.02893	3.1
97.06531	25.3
98.97584	4.8
105.07050	6.5
106.74952	1.1
107.04975	4.0
107.08605	13.5
109.06503	1.3
111.04480	1.2
116.98628	1.9
117.06962	1.3
119.08583	4.7
119.79844	1.1
121.06501	6.3
121.10146	21.1
123.08082	2.2
125.06004	66.2
130.07785	1.9
131.04146	1.0
134.48448	1.3
135.08052	1.5
135.11693	9.5
136.54916	1.0
137.05980	2.9
139.07486	1.2
145.10124	13.1
148.05186	7.6
153.09138	1.7
163.03906	2.1
163.11191	100.0
164.11566	2.1
181.08665	14.3
181.12241	36.5
182.12637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03934	4.8
55.05515	34.3
56.96567	1.7
57.03436	1.8
57.06829	1.5
57.07077	19.7
65.03933	1.3
67.05231	1.0
67.05509	11.8
69.03414	2.4
69.07069	6.1
69.77365	5.4
71.04974	1.5
79.05491	11.4
81.03406	2.3
81.07061	13.5
83.04982	30.1
83.08610	1.3
85.06532	4.6
91.05492	9.8
93.06484	1.7
93.07047	27.4
95.04982	7.7
95.08612	17.3
95.38911	1.1
97.06530	17.9
98.86549	1.1
98.96959	1.4
98.97590	24.7
100.65958	1.1
105.07033	10.7
107.04942	3.1
107.08600	37.0
109.06545	9.0
109.10143	2.9
111.04446	100.0
111.08106	7.5
113.05996	4.4
116.98624	13.5
117.07013	4.7
119.08559	3.4
121.06512	3.9
121.10142	10.2
122.07297	2.8
123.08047	2.9
125.06000	55.3
126.06388	1.1
127.07576	2.3
129.07091	1.2
130.07782	3.7
134.99673	3.5
135.08066	21.2
135.11697	25.7
139.07510	2.7
140.00217	2.2
143.08542	1.4
145.09068	1.6
145.10136	20.8
153.12750	4.2
158.01303	1.5
163.11185	47.2
164.11418	1.1
181.05008	1.5
181.09908	1.5
181.12238	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
55.01867	0.9
55.05503	3.0
57.07066	1.9
58.63745	0.7
59.05026	3.9
60.67181	0.6
67.05503	2.6
69.03423	1.5
69.07067	4.3
70.63653	1.8
71.04973	0.7
77.80271	0.6
79.05145	0.6
79.05508	8.1
81.07066	7.2
83.04989	3.3
83.08620	0.7
91.05482	4.3
93.07050	20.0
95.04955	2.1
95.08616	17.6
97.06547	3.3
98.97592	10.2
101.11707	0.8
103.05421	0.8
103.28965	0.7
105.06373	0.8
105.07001	4.1
107.04979	1.1
107.08602	33.4
109.10153	2.4
111.04469	1.4
111.08102	1.5
116.98662	5.1
117.07030	1.1
119.08618	4.6
121.06546	4.3
121.10153	19.2
121.11018	0.9
123.08057	4.7
125.05974	6.1
130.07851	1.0
134.99648	0.8
135.08040	1.0
135.11700	46.4
136.11981	0.9
137.13284	1.5
139.07550	9.1
145.10123	12.4
153.12782	2.5
160.85231	0.6
163.11195	35.9
181.12247	100.0
182.12564	2.3
196.94017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.086
Annotation	Pestalopyrone
Peak:m/z	Relative Intensity
53.03954	2.3
55.01872	2.7
55.05516	7.1
57.03421	0.5
57.07059	0.6
65.03935	1.5
65.19263	0.4
66.04722	0.5
67.05505	3.1
67.55579	0.4
68.99781	0.4
69.03444	2.9
69.07061	1.2
71.04999	3.5
71.27030	0.8
77.03922	0.8
78.04707	2.2
79.05130	0.5
79.05503	5.3
81.03413	2.1
81.07082	2.6
82.63650	0.4
83.04972	2.4
83.08623	21.2
85.02887	1.4
89.03927	1.2
90.04687	1.3
91.05489	8.9
92.06226	0.6
93.03420	0.5
93.07043	7.6
95.04961	3.4
95.08616	3.3
97.02897	6.3
97.06554	3.3
98.97568	3.3
99.04459	1.7
103.05444	0.7
105.03386	0.9
105.04511	1.0
105.07047	2.3
106.04159	1.6
107.04961	4.3
107.08588	4.6
108.05733	1.6
108.85198	0.4
109.06537	3.6
109.10130	0.7
110.03707	0.5
111.04470	1.1
111.08068	1.0
116.98633	1.6
117.06985	1.1
118.04157	0.7
119.04938	0.8
119.08566	1.9
120.02116	0.5
120.05711	1.3
121.02835	0.6
121.06517	4.4
121.10154	11.0
122.03690	1.1
123.04453	5.0
123.08074	3.3
125.06012	3.6
134.03613	0.6
135.04405	2.5
135.08038	2.5
135.11699	3.9
136.05220	3.1
137.05991	14.4
137.09579	0.6
138.03101	0.6
138.06779	5.2
138.81464	0.4
139.07520	1.4
139.11188	3.2
140.08342	0.7
145.10173	2.2
148.05202	41.4
149.05934	1.9
151.03912	5.5
153.05524	0.5
163.03920	1.4
163.11176	3.9
164.07082	0.9
164.10704	0.5
165.05458	1.9
166.06271	1.8
167.03453	0.6
181.01408	1.0
181.05098	2.1
181.08604	100.0
182.08968	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1021
Annotation	N-Acetyltyramine
Peak:m/z	Relative Intensity
51.28892	0.2
55.01863	0.2
67.05534	0.2
69.03408	0.4
70.00130	0.2
70.95675	0.5
79.05504	0.4
83.05001	0.2
91.05481	1.2
92.05843	0.2
93.07053	2.7
94.06554	0.3
95.04982	0.2
97.02899	0.2
98.97575	0.3
103.05476	8.0
103.06153	0.4
105.07001	0.3
106.06555	0.2
106.07350	0.2
110.06036	0.2
112.07624	0.2
115.66752	0.2
117.68668	0.2
120.08114	100.0
121.06508	5.8
121.08425	1.9
121.10158	0.2
127.32040	0.2
131.04930	1.1
134.06010	0.5
134.09668	0.3
135.04456	0.2
135.08096	0.6
136.07642	0.3
137.05933	0.3
138.05605	0.2
138.09157	0.4
139.03885	0.2
148.04916	0.2
152.04396	0.2
152.07103	0.6
152.41043	0.2
162.05522	0.5
162.09154	1.0
162.30000	0.2
163.03987	0.3
163.07571	0.7
164.22946	0.2
180.03741	4.6
180.06630	0.5
180.10152	2.1
181.05052	0.2
181.08669	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65659	0.9
53.03945	2.3
54.18039	0.8
55.01886	4.3
55.05521	12.7
57.03434	1.2
57.07087	9.7
65.03935	2.6
67.05512	50.9
69.03421	4.0
69.07082	11.9
71.04997	2.9
71.08628	2.7
71.51316	1.1
75.64868	0.8
76.02236	1.2
77.03913	1.3
78.08836	1.0
79.05501	13.1
81.07068	84.4
82.98122	0.9
83.04993	2.6
83.08640	6.2
85.10213	1.9
89.03918	1.4
91.05489	17.9
93.07056	17.2
94.06561	1.4
95.04980	9.1
95.08617	100.0
96.08961	1.9
97.10181	2.7
99.08138	1.1
103.05456	1.8
105.03396	3.3
105.07043	45.5
106.07343	1.2
107.04961	1.5
107.08607	11.2
108.04467	1.0
108.05749	1.0
109.02892	1.1
109.06554	6.8
109.10171	92.3
110.10477	1.3
111.08109	1.1
115.05465	2.6
117.07050	2.2
119.04980	7.5
119.08588	18.7
120.08131	0.9
121.06528	2.7
121.10168	14.6
121.57747	0.9
123.04457	8.8
123.08073	12.2
123.11723	58.1
131.08591	2.0
133.02864	5.6
133.06528	5.2
133.10147	35.8
134.06049	1.0
135.08067	1.2
135.11682	4.1
136.05199	1.7
137.06009	4.7
137.09630	6.4
137.13264	14.1
143.08568	1.6
147.03415	1.3
147.04442	10.4
151.03914	7.9
151.07576	2.3
151.11183	4.2
152.55606	0.9
161.06027	3.8
161.09663	6.2
161.13260	9.9
162.09088	1.2
179.03416	34.3
179.06911	8.6
179.08539	2.0
179.09209	1.1
179.10645	10.3
179.14336	13.5
179.17957	16.1
180.03679	1.1
180.10146	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03936	2.6
55.01866	2.7
55.05516	9.1
57.03437	10.2
60.88420	1.3
65.03938	1.8
67.05509	41.1
69.03423	3.4
69.07069	10.2
70.91221	1.6
70.91567	2.2
71.04990	5.3
79.05499	30.8
81.07063	100.0
83.04973	6.2
83.08601	4.1
85.06557	6.5
91.05488	35.1
93.07047	43.0
93.07637	2.1
95.04955	4.6
95.08611	78.4
97.06533	16.8
99.08095	11.1
103.05499	1.7
105.07037	56.0
107.08606	19.1
109.06562	7.2
109.10164	8.2
111.08075	5.5
117.07053	2.0
119.04996	1.6
119.08593	63.3
121.10146	20.0
123.04424	1.8
123.08063	13.1
123.11694	2.4
131.08583	2.0
133.10141	51.7
135.11697	35.1
137.09612	4.6
147.04416	2.0
151.11137	2.5
161.09616	2.1
161.13264	97.3
162.13640	2.6
169.20122	1.5
179.03403	7.1
179.08551	1.8
179.10733	3.4
179.14325	92.4
180.14684	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03953	4.4
55.01858	4.2
55.05515	8.8
57.03440	5.8
57.07059	1.8
59.04976	1.0
65.03913	1.9
67.05508	26.8
69.03430	6.4
69.07070	8.1
71.04977	4.0
71.28388	1.8
73.39745	0.8
77.03927	2.6
79.05493	25.9
81.03416	2.2
81.07058	68.2
81.44437	0.9
83.04974	6.2
83.08607	2.6
85.06545	4.3
89.03908	1.3
91.05482	44.6
93.07047	40.8
94.06560	1.1
94.07359	1.3
95.04981	7.1
95.08609	53.1
97.06532	12.7
97.10153	1.4
98.09702	1.0
99.08096	3.9
103.05447	2.5
105.03387	1.9
105.04558	1.4
105.07038	81.7
106.07339	1.4
107.04953	1.3
107.08598	26.5
109.06506	10.7
109.10170	8.3
111.08096	4.1
115.05448	2.5
117.06992	3.6
118.07882	1.4
119.04951	6.6
119.08582	49.7
120.08919	1.2
121.06509	2.4
121.10142	19.1
123.04434	4.1
123.08072	14.8
123.11693	3.9
125.09605	1.2
131.08560	3.5
133.02815	5.2
133.06485	3.2
133.10135	100.0
134.10524	1.4
135.08046	1.4
135.10695	1.6
135.11691	22.2
137.05977	5.9
137.09619	6.6
137.13263	2.5
143.08543	1.9
146.07283	1.3
147.04434	5.8
151.03903	4.7
151.07559	1.6
151.11186	6.2
161.02338	2.5
161.05997	3.2
161.09637	12.1
161.13260	54.7
162.05493	1.2
163.40126	0.9
178.00957	0.9
179.03403	20.8
179.06854	5.2
179.08473	1.6
179.08969	1.4
179.10701	14.1
179.14311	60.0
180.03708	1.1
180.14697	1.0
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
53.03938	5.0
55.01870	10.9
55.05276	2.4
55.05515	31.5
57.03428	3.5
57.07071	3.1
58.67267	1.2
59.04975	1.4
65.03937	3.0
67.05508	100.0
69.03418	2.8
69.07072	16.1
71.04987	3.2
77.03930	1.5
79.05495	70.8
79.84503	1.3
81.03422	21.1
81.07059	98.2
83.04986	34.1
83.08617	14.3
84.24091	1.4
85.06528	3.1
91.05485	60.2
93.06492	2.9
93.07048	40.1
95.04980	15.2
95.08612	79.3
97.05929	2.0
97.06538	37.0
97.10143	3.6
99.08071	2.0
105.04490	3.2
105.07040	32.5
107.08609	12.5
109.06535	9.5
109.10159	16.0
111.08100	11.4
112.07576	1.5
113.09621	7.1
117.07004	2.6
119.04935	3.3
119.08587	34.1
121.06528	1.4
121.10150	6.6
123.04421	3.4
123.08113	6.8
133.02798	2.2
133.10141	20.3
135.11705	8.3
136.02148	2.3
137.09628	3.8
147.04405	4.9
149.13144	1.4
161.06010	2.7
161.13251	15.6
162.09206	2.6
164.04030	3.6
179.03419	13.3
179.06308	6.5
179.08644	2.5
179.10706	3.6
179.14313	49.2
180.06563	1.6
180.10132	1.8
196.60576	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.94934	0.9
53.03947	2.1
55.01851	4.5
55.05509	8.8
56.35591	0.9
56.96569	1.0
57.03443	6.3
57.07080	2.5
57.76253	1.0
65.03921	1.7
67.05508	38.7
68.46447	1.1
69.03418	3.6
69.07072	8.4
71.04999	5.5
77.03911	1.0
79.05495	30.7
81.07058	100.0
83.04987	7.2
83.08620	2.0
85.06549	9.8
91.05481	32.6
93.07047	38.6
95.04988	6.1
95.08609	78.3
97.06532	21.0
99.08100	8.7
103.05460	1.1
105.07037	40.6
107.08595	20.0
109.06512	7.3
109.10170	9.1
111.08092	6.4
117.07026	3.7
119.04942	3.7
119.08584	56.6
121.06499	2.3
121.10149	16.9
123.04420	3.0
123.08083	14.2
123.11684	2.3
131.08562	2.0
133.02879	2.6
133.06503	2.1
133.10135	38.9
135.11687	33.1
137.05995	1.4
137.09619	6.2
137.13245	2.1
147.04468	5.3
149.07898	1.7
151.03926	1.1
151.11226	2.3
152.07097	1.4
159.11584	1.2
161.05994	2.7
161.13261	84.9
162.09119	1.2
162.13577	1.7
179.03416	13.1
179.04805	1.9
179.06310	5.0
179.08916	2.6
179.10722	4.3
179.14311	89.1
180.06512	1.1
180.14699	2.5
181.94987	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03941	4.1
55.01873	2.6
55.05513	18.2
55.63625	1.6
57.03431	5.8
57.07067	5.4
65.03947	2.7
67.05509	88.7
69.03427	7.5
69.07076	14.3
71.04991	7.3
77.63661	1.7
79.05498	24.6
81.03416	6.0
81.07062	61.1
83.04977	4.0
83.08624	3.2
85.10205	2.4
91.05495	13.9
93.07050	26.0
95.04967	20.1
95.08613	100.0
97.06550	2.6
105.07029	15.9
107.08614	13.4
109.06540	10.3
109.10159	47.3
117.07085	2.0
119.08574	15.9
121.10139	7.1
123.08086	21.2
123.11710	2.1
133.10155	6.5
135.11710	6.5
137.09621	18.7
137.13246	2.1
151.14822	10.6
161.13240	6.1
179.03345	2.2
179.14316	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03943	2.7
55.01873	3.3
55.05268	2.1
55.05516	26.8
57.03443	9.6
57.07060	4.4
59.04971	2.1
61.87143	1.2
65.03935	2.7
67.05509	65.1
67.20645	1.3
69.03417	5.4
69.07074	34.9
69.09446	1.2
69.76031	1.1
69.88387	1.3
70.30318	2.8
70.30643	1.8
71.04993	7.6
79.05074	2.6
79.05496	36.8
81.03417	4.0
81.07059	89.0
83.04993	8.6
83.08612	5.9
85.06559	2.5
86.48043	1.3
91.05478	17.9
93.06481	2.5
93.07047	36.4
95.04969	22.8
95.08614	100.0
97.06509	4.2
99.07124	1.4
99.54209	1.3
105.07038	27.0
107.08596	25.5
109.06532	23.8
109.09473	2.6
109.10168	36.9
111.08089	6.3
111.33234	1.5
117.07011	2.1
119.08591	21.7
121.10148	10.1
123.04478	1.7
123.08070	32.1
123.11714	2.1
124.13493	1.2
124.91654	1.2
133.10112	11.7
135.11691	7.3
137.09621	20.8
137.13254	1.4
147.04553	1.5
151.14828	8.4
161.13257	18.8
179.03409	4.1
179.14325	53.4
190.56659	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03935	4.4
55.01859	4.4
55.05512	17.7
56.96578	1.7
57.03428	5.8
57.07060	5.5
59.04989	2.3
65.03925	2.8
67.05508	86.7
69.03132	1.6
69.03436	15.0
69.07066	15.6
71.04996	11.7
79.05500	22.7
81.03410	5.9
81.06600	2.8
81.07061	53.0
82.99231	1.5
83.04974	7.3
83.08609	2.8
85.06510	2.1
91.05492	18.1
93.07053	26.5
94.06548	1.5
95.04974	20.8
95.08611	100.0
97.06516	3.1
98.20695	2.3
103.05451	1.7
105.03399	1.6
105.07046	19.5
107.04971	3.8
107.08595	13.0
109.06522	13.0
109.10159	58.8
111.08106	2.6
117.07020	2.3
119.04935	5.4
119.08592	25.3
121.06514	4.5
121.10169	7.5
123.04460	8.6
123.08065	17.7
123.11686	2.8
131.08614	1.6
133.02866	5.7
133.06483	2.8
133.10136	14.5
134.05940	1.7
135.04439	1.4
135.11650	8.3
137.06003	3.3
137.09616	32.4
137.13242	3.3
142.81741	1.8
147.04393	5.0
151.03906	2.6
151.11182	1.8
151.14813	12.2
161.05969	2.9
161.09575	3.0
161.13240	11.6
162.09122	3.5
164.04039	2.4
179.03433	21.9
179.06433	14.5
179.08353	3.0
179.10703	5.8
179.14307	69.9
180.10130	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	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
50.02515	0.5
51.02393	0.7
53.03945	2.0
55.01863	1.8
55.05513	3.6
56.16531	0.5
57.07073	1.1
65.03928	0.7
67.05505	9.0
69.03437	1.5
69.07070	2.2
71.04981	0.7
77.03928	0.8
79.05495	7.5
79.08321	0.5
81.03411	0.8
81.07063	12.8
83.05003	1.1
91.05484	20.8
93.07050	13.1
95.04962	3.5
95.08612	22.8
97.06523	0.6
97.10024	0.5
98.21547	1.1
103.05469	2.3
105.07037	100.0
106.07378	1.5
107.04925	0.7
107.08606	9.1
109.06519	3.0
109.10167	9.4
115.05470	1.6
117.07022	2.3
118.07821	2.0
119.04972	3.3
119.08595	9.3
121.06552	1.1
121.10153	1.5
123.04456	2.7
123.08076	17.8
123.11720	9.5
131.08588	5.9
133.02905	1.4
133.10139	86.5
134.10588	1.6
135.08078	0.6
135.11690	2.5
137.05980	2.8
137.09631	1.2
137.13246	1.1
138.09151	0.7
143.08559	1.1
146.07298	0.8
147.04414	3.9
151.03998	0.8
151.11191	4.6
161.02245	0.6
161.06012	2.0
161.09621	7.3
161.13281	2.0
162.09106	0.9
179.03398	7.8
179.06889	2.3
179.10681	9.1
179.14301	3.1
179.17938	1.2
180.06676	0.6
195.40643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01878	2.8
55.05516	5.3
57.03435	1.1
59.04988	0.6
65.03941	0.9
67.05507	5.9
69.03435	3.4
69.07065	1.6
69.85980	2.4
71.05002	1.0
76.93331	0.4
77.03941	0.6
79.05070	0.8
79.05499	12.1
81.03416	0.9
81.07059	18.4
83.04939	0.8
83.08566	0.5
85.57853	0.5
88.66090	0.5
91.05488	29.2
93.07047	23.0
95.04984	4.5
95.08611	12.9
97.02927	0.9
97.06551	1.5
99.04469	0.7
103.05466	1.7
104.03684	0.5
105.03423	0.8
105.07037	84.7
106.06613	0.6
106.07352	1.0
107.04962	1.1
107.08595	12.8
109.06520	6.7
109.10152	2.9
109.79900	0.5
112.60457	0.5
115.05490	1.3
117.07011	2.0
118.04220	0.6
118.07804	1.9
119.04954	3.7
119.08582	10.1
121.06542	3.1
121.10159	3.3
123.04441	2.8
123.08065	13.0
123.11704	3.8
125.06007	0.7
126.70044	0.6
127.07578	0.8
128.06204	0.6
131.08568	5.2
133.02852	1.0
133.06485	2.5
133.10138	100.0
134.10480	2.1
135.08080	1.0
135.11673	3.4
137.05995	5.6
137.09610	1.8
137.13229	0.6
143.08574	2.0
146.07259	1.5
147.03404	0.7
147.04422	2.9
151.03886	1.0
151.07581	0.9
151.11179	6.2
152.83498	0.6
161.02377	0.6
161.06018	1.5
161.09630	13.0
161.13280	2.1
179.03387	8.4
179.06911	2.4
179.10687	13.6
179.14270	4.2
180.10245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03947	3.0
53.21328	0.6
55.01874	2.9
55.05511	6.1
57.03442	1.5
57.62282	0.6
58.07507	0.6
59.91171	0.6
65.03942	0.7
66.62900	0.6
67.05510	7.1
69.03429	4.7
69.07079	1.8
71.05005	1.7
71.12728	1.2
73.02901	1.1
77.03918	1.1
78.18052	0.6
79.05069	0.9
79.05499	11.2
81.03421	1.5
81.07062	19.2
83.04991	1.8
91.05485	29.8
93.07047	25.7
95.04982	7.6
95.08610	13.6
97.02914	0.8
97.06516	1.3
99.04481	1.4
103.05490	2.4
105.07037	84.3
106.07323	1.1
107.04955	1.6
107.08598	16.1
109.02876	0.8
109.06525	5.8
109.10159	3.7
115.05464	1.7
117.07008	3.1
118.07804	1.7
119.04963	4.4
119.08587	12.1
121.06510	2.7
121.10165	2.9
123.04439	3.2
123.08062	12.8
123.11694	3.8
125.05989	1.1
127.07565	0.9
128.06203	1.3
131.08565	4.8
133.02829	1.0
133.06525	3.0
133.10135	100.0
134.10492	2.6
135.08084	1.7
135.11728	3.8
137.05986	8.0
137.09619	2.7
143.08589	1.8
146.07234	1.3
147.04367	4.6
147.49408	0.7
151.03926	1.4
151.07542	1.2
151.11200	7.5
154.47462	0.6
161.05977	2.3
161.09634	15.4
161.13280	2.5
162.09138	0.8
163.70389	0.6
169.02654	0.6
179.03398	7.9
179.06900	2.3
179.10672	18.6
179.12186	1.3
179.14244	4.3
181.19330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03936	1.8
55.01876	3.8
55.05502	3.6
56.48318	0.8
57.07029	0.8
59.04984	1.3
60.32548	0.7
60.55626	0.8
63.77349	0.7
65.03941	1.6
67.05506	6.9
68.86523	0.7
69.03436	4.5
69.07077	1.1
71.04974	1.2
71.50375	1.2
71.84798	0.9
76.02220	1.2
79.05502	10.0
81.03438	1.2
81.07060	13.1
83.04979	2.5
85.06546	0.8
89.03913	1.5
89.92566	0.8
91.05489	24.5
93.07048	15.1
95.01379	0.9
95.04988	8.5
95.08609	8.6
97.06561	1.3
103.05460	2.7
105.03403	2.2
105.04496	1.3
105.07037	56.0
107.04987	0.8
107.07876	1.4
107.08599	26.2
108.08932	1.3
109.02900	1.5
109.06518	6.4
109.10143	4.4
115.05470	2.2
117.07013	3.7
118.07836	1.3
119.04939	7.4
119.08592	21.0
121.06488	4.5
121.10143	3.7
123.04446	7.4
123.08078	5.4
123.10895	0.9
123.11726	1.3
128.06221	2.2
131.08582	5.3
132.05702	1.7
133.02867	1.7
133.06529	5.3
133.10138	100.0
134.10480	1.3
135.04411	1.0
135.08026	2.3
135.11694	3.1
137.05014	1.2
137.05998	9.8
137.09636	4.8
137.80017	0.8
143.08601	4.4
146.07274	3.8
147.04451	5.6
151.03958	2.5
151.07553	5.0
151.11168	4.3
161.02376	1.0
161.05997	4.3
161.09625	28.1
161.13232	1.6
162.09184	1.1
179.03413	16.5
179.06975	5.4
179.10698	54.1
179.14323	3.5
180.03790	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03949	1.8
55.01878	2.8
55.05516	5.3
57.03435	1.1
59.04988	0.6
65.03941	0.9
67.05507	5.9
69.03435	3.4
69.07065	1.6
69.85980	2.4
71.05002	1.0
76.93331	0.4
77.03941	0.6
79.05070	0.8
79.05499	12.1
81.03416	0.9
81.07059	18.4
83.04939	0.8
83.08566	0.5
85.57853	0.5
88.66090	0.5
91.05488	29.2
93.07047	23.0
95.04984	4.5
95.08611	12.9
97.02927	0.9
97.06551	1.5
99.04469	0.7
103.05466	1.7
104.03684	0.5
105.03423	0.8
105.07037	84.7
106.06613	0.6
106.07352	1.0
107.04962	1.1
107.08595	12.8
109.06520	6.7
109.10152	2.9
109.79900	0.5
112.60457	0.5
115.05490	1.3
117.07011	2.0
118.04220	0.6
118.07804	1.9
119.04954	3.7
119.08582	10.1
121.06542	3.1
121.10159	3.3
123.04441	2.8
123.08065	13.0
123.11704	3.8
125.06007	0.7
126.70044	0.6
127.07578	0.8
128.06204	0.6
131.08568	5.2
133.02852	1.0
133.06485	2.5
133.10138	100.0
134.10480	2.1
135.08080	1.0
135.11673	3.4
137.05995	5.6
137.09610	1.8
137.13229	0.6
143.08574	2.0
146.07259	1.5
147.03404	0.7
147.04422	2.9
151.03886	1.0
151.07581	0.9
151.11179	6.2
152.83498	0.6
161.02377	0.6
161.06018	1.5
161.09630	13.0
161.13280	2.1
179.03387	8.4
179.06911	2.4
179.10687	13.6
179.14270	4.2
180.10245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1067
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03950	2.0
55.01887	2.9
55.05519	3.8
57.03424	1.4
57.07074	0.7
57.15805	0.7
65.03934	1.4
67.05507	7.1
69.03439	2.5
69.07072	1.8
71.04987	1.4
77.03921	1.1
79.05499	7.8
81.03429	1.5
81.07066	11.6
83.05016	1.0
84.37028	0.6
88.94338	0.6
91.05487	27.8
93.07047	12.5
95.04963	4.6
95.08611	15.4
95.09177	1.1
99.04449	1.0
103.05447	3.0
105.07039	99.9
106.06673	0.6
106.07367	2.4
107.04984	1.0
107.08611	9.5
109.02864	0.6
109.06525	6.6
109.10157	4.6
115.05497	1.7
117.07041	4.3
118.07834	2.0
119.04990	3.2
119.08589	34.1
121.06477	1.4
121.10175	5.1
123.04436	2.8
123.08079	16.5
123.11707	6.0
128.06250	1.0
131.08568	5.7
133.02849	1.4
133.06479	2.1
133.10139	100.0
134.10518	1.9
135.08078	1.9
135.11699	2.0
136.05151	0.6
137.06007	5.0
137.09624	4.9
143.08577	1.0
146.03635	0.6
146.07259	0.7
147.04399	4.3
151.03902	1.1
151.07581	0.7
151.11209	5.4
161.05997	2.4
161.09634	8.1
161.13329	3.3
162.09068	1.0
179.03395	8.4
179.06943	3.4
179.10681	17.5
179.14233	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	179.1068
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
52.83908	0.9
53.03934	2.4
55.01878	8.2
55.05507	4.4
57.03429	0.8
57.07057	1.4
57.98634	0.7
59.04991	4.2
65.03936	2.8
67.05511	8.4
68.99776	1.5
69.03424	5.4
69.07065	2.9
70.18004	2.6
71.04983	1.6
79.05502	12.3
81.03436	1.8
81.07064	17.3
83.04971	2.1
85.06586	0.9
91.05488	36.5
93.07047	22.4
95.04971	11.3
95.08604	5.8
97.62382	0.9
103.05455	2.6
105.03402	2.3
105.04515	1.1
105.07037	56.7
107.04959	2.8
107.08600	44.4
108.04505	1.0
109.02900	1.4
109.06529	10.2
109.10160	7.8
111.04459	1.0
111.08090	3.9
115.05456	3.7
117.07023	3.5
117.19181	0.9
118.07802	2.0
119.04951	15.8
119.08591	17.7
120.08115	1.8
121.06511	8.3
121.10158	4.7
123.04460	8.2
123.08075	7.5
123.11699	3.2
125.05957	1.6
127.32491	0.9
128.06219	1.1
131.08577	5.4
133.02850	2.1
133.06500	10.1
133.10138	91.9
134.10498	2.1
135.04366	1.2
135.08115	2.0
135.11690	3.9
136.05165	1.0
137.05980	19.0
137.09628	6.7
143.04929	1.8
143.08571	3.3
146.07227	1.8
147.04434	14.3
151.03915	2.6
151.07558	4.5
151.11189	6.9
161.02315	1.6
161.06007	13.4
161.09621	31.6
161.13303	2.6
162.09029	1.1
179.03418	28.2
179.07129	13.8
179.10680	100.0
179.14079	5.7
180.11131	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	179.1068
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
53.03950	2.6
55.01870	2.5
55.05515	5.8
56.96571	0.4
57.03448	1.1
57.07078	0.8
64.38490	0.5
65.03945	1.0
67.05511	6.8
69.03432	4.7
69.07074	2.2
70.95969	0.9
71.04995	1.6
73.02936	0.8
79.05498	13.2
81.03413	0.5
81.07059	19.4
83.05001	1.2
91.05483	27.5
93.07047	23.4
95.04980	5.7
95.08611	14.1
97.02901	1.5
97.06532	0.9
103.05479	2.1
105.03433	1.0
105.04548	1.2
105.07036	85.8
106.07304	0.8
107.04953	1.5
107.08591	14.0
109.02904	0.5
109.06530	6.1
109.10165	3.3
111.04511	0.6
115.05460	1.4
117.07002	2.2
118.07809	2.0
119.04932	4.6
119.08586	14.0
120.08118	0.5
121.06495	2.8
121.10146	3.2
123.04458	2.9
123.08081	12.8
123.11674	2.8
125.06074	0.5
127.07580	0.9
128.06245	1.9
131.04922	0.5
131.08575	5.1
133.02887	1.4
133.06586	3.3
133.10136	100.0
134.10519	1.9
135.04454	0.7
135.08041	1.7
135.11662	2.7
136.05203	0.6
137.05981	6.3
137.09624	3.1
137.13286	0.7
143.08557	2.1
146.07268	1.0
147.04396	3.7
151.03944	1.2
151.07515	0.9
151.11179	7.1
160.47581	0.4
161.02336	0.6
161.05925	2.2
161.09633	14.4
161.13300	2.0
179.03383	13.0
179.06812	2.2
179.10672	13.0
179.14275	4.3
180.06584	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
53.03948	0.3
55.01868	0.6
55.05498	0.2
57.67520	0.2
67.01863	1.7
67.05497	0.5
68.99795	3.5
69.03423	0.4
69.99763	0.6
70.00171	0.4
70.11201	0.2
71.01346	0.6
76.02239	0.3
77.03945	0.2
79.05488	0.7
81.03402	0.6
81.07053	0.6
81.71442	0.2
83.05016	0.3
91.01858	0.2
91.05485	1.8
93.07046	0.6
95.01321	0.4
95.04980	1.0
95.08607	0.4
103.05479	0.5
105.03403	1.0
105.07037	1.5
107.04929	0.2
107.08602	0.2
109.02847	0.2
109.06517	0.6
109.10155	0.2
111.03714	0.3
111.04448	2.5
115.05434	0.3
117.07053	0.2
119.04964	1.0
119.08571	0.7
120.08115	7.4
121.06502	0.7
121.10139	0.2
123.04442	1.4
123.08114	0.4
125.02314	0.2
127.03940	0.5
128.59685	0.2
133.02878	1.9
133.06519	0.7
133.10153	1.0
136.08701	0.2
137.02350	1.5
137.05997	0.4
137.09595	0.4
147.04460	1.4
151.03920	1.3
151.07564	0.3
151.11218	0.3
155.03387	1.5
161.02373	1.1
161.05974	0.7
161.09645	0.5
172.28874	0.2
179.03407	100.0
179.10582	1.2
179.12547	0.5
179.14288	0.4
180.03789	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	179.034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
53.03947	2.2
55.01883	1.2
55.05479	0.3
56.96572	0.3
57.07064	0.4
59.04997	0.3
63.44222	0.2
65.03931	0.8
67.05505	2.4
68.99785	0.8
69.03415	0.7
69.19193	0.2
70.06557	0.3
70.99374	0.5
77.03918	0.9
77.37067	0.2
79.05501	1.3
81.03423	2.5
81.07050	0.8
84.08112	0.3
85.02893	0.5
91.05482	3.1
93.07040	0.6
93.93658	0.2
95.04972	11.7
95.08597	0.5
97.02891	0.3
98.97578	0.8
98.98460	0.3
103.05474	0.4
105.03401	5.0
105.04493	1.3
105.07038	3.0
107.04951	0.6
107.08612	0.5
109.02838	0.3
109.06503	0.7
109.10164	0.4
111.04394	0.5
115.05424	0.3
116.98623	0.4
117.06996	0.3
118.06497	0.3
119.04962	3.1
119.06849	0.4
119.08603	1.1
121.02863	0.9
121.04025	0.3
121.06513	0.8
123.04431	7.5
123.08060	0.6
133.02864	2.6
133.06500	1.4
133.10117	1.7
134.06026	0.2
134.09637	0.6
135.04382	0.4
135.10007	2.6
137.02293	0.3
137.05966	1.4
137.09589	0.4
147.04424	3.8
151.03909	4.1
151.07526	0.7
151.11212	0.3
152.07143	0.3
158.99638	0.5
161.02309	1.3
161.05991	1.3
161.09628	0.8
162.09134	0.3
179.03398	100.0
179.06650	2.5
179.10635	1.3
179.12604	6.1
179.14188	0.6
180.03728	1.6
190.83858	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.7
53.03937	1.4
55.01872	2.2
55.05506	1.0
58.99590	3.0
65.03921	0.9
67.05510	2.1
69.03407	0.6
69.07043	0.8
70.95664	0.4
70.95988	0.4
71.04968	0.8
73.01158	0.4
75.67200	0.3
76.02234	8.6
77.03921	2.8
79.05489	2.6
81.03396	0.7
81.07058	2.1
83.04984	0.6
86.99049	0.8
89.03921	4.7
91.05495	4.5
93.07049	2.2
95.04974	3.7
95.08600	1.3
103.05495	0.5
105.03400	8.3
105.04486	0.7
105.07036	7.2
107.04967	2.2
107.08570	1.3
109.06520	1.3
109.10144	1.1
115.05479	0.8
116.01675	2.3
117.03370	3.0
117.07022	0.4
119.04943	4.8
119.08591	3.1
120.08115	0.7
121.06517	1.1
121.10158	2.0
123.04435	16.4
123.08053	1.3
128.06194	0.4
133.02859	37.3
133.06447	2.3
133.10133	5.2
134.03189	0.6
135.04422	8.4
135.11729	0.7
137.05989	1.6
137.09596	1.3
143.08517	0.4
144.01141	0.9
145.03955	1.0
147.03362	0.6
147.04420	4.9
151.03961	2.3
151.07571	1.2
151.11209	0.8
151.94109	0.4
161.02357	3.1
161.05965	2.8
161.09616	1.8
161.13283	0.9
162.02206	1.0
164.04044	0.4
179.03400	100.0
179.06769	4.3
179.10617	3.7
179.14316	1.5
180.03741	1.9
180.06630	0.4
180.10191	0.4
190.86064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	Valerianine
Peak:m/z	Relative Intensity
69.33851	3.2
76.83006	0.4
79.05502	0.7
91.05486	0.8
93.26417	0.4
98.20770	0.5
100.94707	0.3
107.08609	1.1
115.05488	0.4
117.07014	1.3
118.06546	7.9
119.07331	10.9
122.07093	0.4
132.08087	1.3
133.08960	0.4
134.09657	62.9
135.10011	1.3
160.11252	0.9
162.09116	2.8
163.09927	1.2
173.23323	0.4
178.12277	100.0
179.12680	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	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.91741	1.4
53.03951	3.1
55.01870	2.4
55.05508	7.2
55.50273	1.3
61.41151	1.4
64.14864	1.4
65.03925	1.8
67.05513	7.5
69.03439	8.3
69.06787	1.3
69.07071	13.3
69.70004	5.3
69.70438	4.0
71.04980	3.6
78.04700	2.4
79.05495	32.2
81.07061	24.0
83.08603	2.8
83.32731	1.3
89.03925	32.7
91.05489	32.0
93.07045	77.6
94.07365	1.9
95.04952	5.4
95.08612	11.9
97.06557	7.0
98.98468	13.9
103.05462	4.7
105.06383	2.5
105.07034	25.5
106.04182	6.2
107.08598	88.8
108.08932	1.6
109.06522	3.4
109.10136	4.4
117.03388	59.6
117.07012	10.8
119.06092	2.3
119.08586	25.8
121.06541	9.7
121.10146	53.6
129.07011	4.7
129.79288	1.3
131.04921	2.2
131.08575	15.3
133.10155	9.4
134.03661	8.5
135.04411	3.0
135.08034	5.4
135.11702	11.1
144.09334	5.5
145.02852	68.5
146.03198	1.8
147.11716	1.9
149.05975	22.4
149.09637	4.4
149.12199	2.3
149.13275	29.6
159.08028	2.5
159.11707	33.1
162.03107	1.6
162.10420	1.8
177.05470	27.2
177.09126	5.3
177.12755	100.0
177.16341	7.2
178.13052	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	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03933	7.6
55.01852	5.6
55.05514	66.1
57.03423	5.5
57.07057	2.4
59.05005	2.4
65.03930	2.8
67.05505	19.2
69.03427	13.8
69.07074	21.7
71.05024	3.8
71.51526	3.1
79.05499	78.3
81.03397	2.7
81.07059	42.3
83.05001	9.7
83.08626	35.5
85.06540	2.7
86.54466	1.8
87.08555	2.1
88.02209	2.9
89.03929	12.8
91.05484	55.2
93.03401	3.7
93.07047	91.8
95.04971	11.0
95.08606	19.0
97.06527	5.8
98.98474	64.2
103.05456	8.5
105.04504	3.2
105.07037	37.1
107.04961	16.6
107.08605	92.3
109.06535	11.0
109.10165	4.4
115.05438	8.1
117.03397	20.4
117.07023	33.5
119.06121	2.7
119.08590	20.4
121.02896	3.1
121.06516	24.3
121.10153	28.7
123.08091	5.4
129.06995	6.4
130.07790	4.7
131.04889	3.7
131.08566	41.1
133.06462	2.5
133.10110	10.0
135.08064	44.6
135.11710	9.5
142.07791	2.6
144.09325	10.8
145.02835	25.2
149.02356	11.4
149.05952	10.6
149.09595	10.5
149.13266	19.9
153.93712	2.1
159.08139	2.9
159.11703	36.4
177.05449	22.5
177.06621	2.3
177.09134	7.9
177.12759	100.0
177.16312	5.2
178.04982	1.9
178.15883	3.0
186.05476	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03954	1.6
55.01878	1.2
55.05506	1.5
63.02374	0.9
65.03944	0.8
67.05505	1.6
69.03444	1.2
69.07058	1.2
70.63649	1.8
71.04964	0.7
78.04723	4.4
79.05498	3.8
80.05070	0.7
81.03416	0.7
81.07068	1.9
82.87160	0.6
89.03927	52.7
90.04263	1.0
90.21751	0.5
90.29158	0.5
91.05485	10.4
93.07043	4.9
93.85106	0.7
95.04969	1.9
95.08610	1.4
98.97553	0.7
98.97832	1.0
98.98476	13.8
101.04226	0.7
103.05473	4.5
105.03388	0.7
105.07032	3.8
106.04169	5.6
107.04953	2.8
107.08611	4.1
109.06479	1.0
117.03390	81.8
117.07007	3.1
118.03667	1.1
119.04917	1.0
119.08611	1.5
121.02875	0.9
121.06517	5.8
121.10131	4.4
124.05195	1.0
129.06995	0.7
129.44327	0.7
131.04916	3.1
131.06902	0.9
131.08568	6.7
133.06494	0.9
133.10123	2.0
134.03647	11.6
135.04439	7.4
135.08086	2.0
135.11696	1.8
145.02859	100.0
146.03252	1.9
149.02365	2.9
149.05995	35.8
149.09621	1.9
149.94585	1.2
150.06308	0.9
150.09154	0.6
159.04448	1.6
159.06381	0.8
159.08078	2.0
159.11710	1.8
162.03091	3.9
163.03928	5.3
177.05487	41.0
177.08992	6.7
177.12686	4.7
178.06136	0.8
178.08652	0.7
178.12308	0.7
186.05525	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03946	2.3
55.01877	1.0
55.05512	5.1
56.47231	0.5
57.03448	0.6
57.07077	0.9
63.02396	1.8
65.03950	1.2
67.05508	5.3
69.03436	5.5
69.07074	8.4
71.05010	1.3
71.51377	1.0
76.48297	0.6
77.03925	0.7
78.04714	4.1
79.05499	19.9
81.07059	15.2
83.04957	0.5
83.08647	3.6
85.02933	0.6
89.03922	48.0
91.04901	1.0
91.05486	20.5
93.07050	42.7
95.04981	3.7
95.08616	9.6
97.06554	3.8
97.10178	0.7
98.98473	10.5
103.05476	3.8
105.03390	1.0
105.04523	1.9
105.07041	16.3
106.04186	6.3
106.07365	0.7
107.04992	2.0
107.08601	52.4
109.06538	2.3
109.10181	2.2
116.06222	0.7
117.03389	83.9
117.07037	4.1
118.03734	2.0
119.04970	0.7
119.06084	1.0
119.08589	15.4
121.02894	0.8
121.06519	7.9
121.10152	32.7
124.05236	0.9
129.06972	2.9
131.04959	1.2
131.08568	10.3
133.10158	4.1
134.03642	10.1
135.04430	6.3
135.08063	4.7
135.11708	6.3
144.09363	3.3
145.02855	100.0
146.03235	1.1
147.08090	0.8
149.02362	1.3
149.05995	29.0
149.09647	2.9
149.10654	0.6
149.13271	18.8
150.06384	0.6
152.99625	0.5
157.10056	0.6
159.08060	1.3
159.11699	17.5
162.03117	2.1
162.10440	1.1
163.03951	2.9
177.03879	1.0
177.05479	31.3
177.09079	5.9
177.12762	51.8
177.16403	6.7
178.13109	1.4
186.05516	1.6
196.80196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03951	1.0
54.74651	0.5
55.01858	0.5
55.05505	0.7
58.18315	0.4
63.02380	1.4
67.05504	1.1
69.03426	0.6
69.07070	1.4
69.44243	1.3
69.44667	2.5
73.61359	0.5
78.04722	3.4
79.05486	2.7
81.07057	1.8
89.03922	48.1
90.04258	0.8
91.05481	5.2
93.07047	4.4
95.04972	1.2
95.08591	2.4
98.98470	5.1
103.05441	2.4
105.03365	0.7
105.07045	1.7
106.04190	5.5
107.08605	4.6
117.03385	83.4
117.07001	1.0
118.03735	1.9
119.08578	0.8
121.06503	2.8
121.10150	4.6
124.05267	0.5
129.04544	0.6
131.04939	0.7
131.08586	2.3
133.10202	0.7
134.03639	10.3
135.04419	4.9
135.08066	0.9
135.11696	1.4
145.02852	100.0
146.03220	1.9
149.05989	24.5
149.13306	0.8
150.06332	0.5
158.06015	0.8
159.07994	0.7
159.11699	2.1
162.03116	2.0
162.05092	0.5
163.03903	1.9
177.05481	26.5
177.08905	2.3
177.12749	7.3
177.16356	2.4
178.05832	0.6
186.05470	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	177.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01888	2.1
55.05502	0.9
56.96571	13.8
57.03441	8.9
58.99862	2.2
59.04973	0.9
60.04525	1.8
61.02930	6.2
69.03441	7.5
70.03747	0.9
71.01354	1.4
71.04994	1.6
71.49499	0.9
72.08157	1.1
73.02930	8.9
74.03252	1.0
74.06074	0.9
74.64454	0.8
80.00253	1.4
81.03413	3.1
82.01416	1.1
83.00774	1.6
83.79384	0.8
84.08138	1.0
85.01433	0.9
85.02897	7.8
85.04051	1.0
85.06528	1.2
87.01131	1.5
87.04482	1.1
88.03982	1.5
89.00787	3.3
89.03916	2.6
90.90997	0.8
90.91615	0.9
91.05463	1.1
92.76478	0.9
93.56989	0.8
94.99819	2.4
95.01341	1.4
96.01530	1.4
97.02912	5.2
98.01293	2.4
98.96941	1.3
98.97582	23.2
98.98465	8.2
99.97945	1.3
100.02494	1.4
101.00857	7.2
102.00941	1.3
102.02415	2.8
102.52461	1.5
103.00655	2.4
103.02420	2.3
103.05453	1.1
105.02177	2.1
107.01829	1.1
108.01532	1.0
108.02386	1.1
109.00512	0.9
109.02860	1.8
110.01302	6.0
110.52252	1.3
110.97559	4.0
111.02947	1.9
112.02751	1.0
113.00876	36.7
114.00980	1.0
114.02465	1.7
115.02407	2.1
116.98612	8.4
117.02076	2.9
117.03387	4.3
119.01859	16.4
120.01989	1.4
120.53558	1.2
121.01689	5.5
121.06520	1.2
121.10104	1.9
126.02504	1.6
127.02483	1.3
127.03951	2.6
128.02327	12.6
128.98598	3.0
129.02101	1.3
129.03961	2.9
130.03767	1.4
130.80835	0.8
131.01915	100.0
131.12633	1.9
132.01924	4.5
133.01549	1.2
133.02509	1.1
133.03448	3.6
134.03600	1.6
134.99664	2.3
135.03220	4.4
135.04118	0.9
136.02475	7.6
137.02792	2.1
143.00195	1.4
143.01897	2.8
145.01714	2.0
145.02855	3.9
146.03583	1.5
146.99516	1.5
147.01390	1.6
147.03197	2.9
148.01631	1.0
149.01201	2.2
149.03021	10.5
149.05997	2.6
153.04242	1.3
154.03496	40.1
154.94176	1.2
155.00275	0.8
155.00723	1.2
155.01901	8.6
155.03072	1.0
155.03685	1.8
157.03419	1.6
158.99632	1.7
160.09679	1.2
161.03000	2.6
165.04514	1.0
168.01909	1.0
171.01370	0.9
172.01500	2.4
172.04601	2.6
173.01375	1.8
173.02953	12.8
177.00729	1.7
177.02681	1.0
177.04231	3.0
177.05534	4.7
177.10683	1.3
177.13057	1.4
178.04898	1.3
178.08659	1.2
185.02998	3.2
190.02618	1.3
191.04018	1.9
196.04485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
54.58162	0.3
54.98644	0.5
55.01868	0.6
56.96570	11.6
56.96851	0.6
57.03450	2.8
61.02928	0.6
65.64963	0.3
66.24917	0.3
69.03445	1.6
69.69120	0.5
69.69511	1.1
70.98118	0.6
70.99863	0.4
71.05005	0.4
71.95260	2.7
73.02921	2.0
81.03430	1.2
81.76300	0.3
84.04505	0.4
84.96046	0.8
85.01406	0.4
85.02905	2.3
87.01167	0.3
87.04476	0.4
89.00785	0.7
89.03914	0.4
89.60633	0.3
90.62663	0.3
91.02465	0.4
94.99836	0.6
95.00749	0.3
95.50932	0.3
96.01572	0.3
97.02892	2.1
98.01283	0.5
98.03226	0.4
98.97591	100.0
99.04433	0.6
99.97949	0.8
100.02473	0.6
101.00864	1.5
102.01558	0.5
102.96886	0.6
103.00633	1.1
103.02421	0.4
103.04028	0.3
104.01311	0.5
105.02158	0.7
107.53788	0.3
108.01536	0.4
109.02893	0.9
110.01273	0.8
110.03674	0.3
110.21176	0.3
110.97565	2.7
112.99164	1.0
113.00871	6.0
113.01669	0.6
113.02449	0.4
115.00700	0.3
115.02449	0.6
116.10748	0.6
116.98627	42.4
117.02177	0.5
117.03350	0.5
119.01867	3.8
121.01653	1.8
124.99142	0.4
127.03902	0.8
127.05060	0.8
128.02318	1.1
128.98640	1.9
129.03938	0.4
130.02774	0.3
131.00258	0.6
131.01910	12.1
132.01820	0.4
133.01642	0.4
133.03462	1.1
134.99669	11.2
135.00671	0.7
135.03242	1.7
135.04193	0.3
136.02460	0.6
137.02765	0.4
139.02684	0.4
140.00204	0.6
140.98607	0.8
143.00194	0.5
143.01910	0.5
145.01671	0.4
145.02855	1.0
146.99666	0.5
147.03146	0.7
149.01202	0.4
149.02942	1.3
149.06049	0.4
153.00677	0.7
153.01813	0.6
153.04285	0.5
154.03499	4.8
154.94176	0.9
155.00160	0.7
155.01878	1.6
158.99658	3.2
160.37672	0.3
161.01228	0.5
165.04468	1.0
165.54590	0.5
168.98050	0.6
172.01567	0.9
172.04628	0.4
172.95230	0.5
173.01347	0.6
173.02962	3.0
174.05052	0.4
176.55452	0.4
177.00714	2.8
177.02419	1.4
177.04114	2.2
189.00656	0.5
191.02246	0.4
195.01758	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.1436
Annotation	Nigrifactin
Peak:m/z	Relative Intensity
52.42554	0.2
53.03953	0.3
65.03966	0.3
69.07076	0.4
69.85271	0.4
69.85680	0.5
75.06973	0.2
79.05505	0.6
81.07067	0.6
89.03918	0.6
91.05473	1.0
93.07043	0.9
94.06549	0.3
94.19881	0.2
95.04960	0.2
95.08611	0.6
98.98458	1.6
105.07074	0.8
106.04210	0.3
106.06616	0.4
106.07368	0.9
107.07375	0.2
107.08615	0.9
108.04522	0.2
117.03386	1.0
117.07021	0.3
118.06550	27.8
119.07330	0.6
119.08591	0.8
120.08121	0.4
120.08918	0.8
121.06520	0.4
121.10172	1.1
130.06512	0.7
131.08572	0.5
132.08095	8.3
133.08890	3.5
133.09993	0.4
134.03694	0.2
134.09641	1.4
134.10483	0.5
135.08084	0.3
135.11678	0.3
144.08087	0.3
145.02867	1.5
146.09651	8.6
147.10394	0.6
148.12076	0.2
149.06000	0.6
149.09633	0.3
158.06001	0.2
158.10434	0.4
159.08025	0.2
159.11676	0.4
160.11221	0.8
161.11951	0.4
176.07082	0.8
176.14346	100.0
177.05435	0.8
177.09064	0.3
177.12711	0.6
177.14656	2.3
177.16251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0709
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
51.02378	0.3
53.03948	0.4
55.01864	0.4
56.73730	0.2
56.96552	0.4
65.03930	0.4
65.73486	0.3
69.03432	0.6
70.06595	0.5
71.50290	0.5
77.89570	0.3
79.05504	0.9
81.03431	0.5
89.03925	2.4
90.94830	0.3
91.05492	2.2
92.05804	0.4
93.07043	0.8
94.06573	0.4
95.04950	0.5
95.08643	0.4
98.97628	0.4
98.98468	2.8
102.87724	0.3
103.05487	2.2
104.04989	0.9
105.07027	0.9
106.04190	1.5
106.06598	0.5
106.07330	0.6
107.04978	0.9
107.08619	0.4
115.05448	0.4
116.97223	0.8
117.03390	3.5
117.07017	0.3
118.06564	1.3
119.04987	0.4
119.07315	0.7
120.08126	13.8
120.08896	0.7
121.06515	1.1
121.10156	0.4
130.06541	100.0
131.04930	0.9
131.06882	2.8
131.08597	0.8
131.99574	0.3
132.04466	18.0
133.04808	0.6
133.06488	0.3
133.44458	0.3
134.03664	0.5
134.05995	0.3
134.10454	0.5
135.04422	0.4
135.08055	0.5
144.72090	0.3
145.02850	4.5
146.06013	0.6
147.04485	0.4
148.07582	16.3
149.02344	0.4
149.05989	2.2
149.07869	0.3
158.06033	23.5
159.06387	1.0
159.11722	0.4
163.03923	0.3
176.07059	8.1
176.10498	0.4
176.11842	0.3
176.14366	1.1
177.05461	2.0
177.09163	1.1
177.12827	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	2.0
51.02374	3.2
51.68661	1.5
53.02385	1.3
53.03709	2.6
53.03947	39.5
55.05516	18.3
56.05025	1.6
57.49874	1.6
57.50740	1.6
57.71799	1.5
58.99572	6.8
59.96703	1.8
61.01153	32.4
62.99077	16.3
65.00642	16.6
65.03938	5.1
67.04212	2.1
67.05500	5.0
68.05027	9.6
69.03441	9.6
69.07056	3.7
69.23283	14.6
70.04221	2.1
70.06586	2.3
71.04984	6.2
71.99102	13.0
73.01130	1.7
74.99054	2.6
75.02706	4.9
78.03461	19.4
78.96773	2.4
79.05454	1.6
80.05008	3.1
82.99561	6.6
84.00334	1.9
85.01131	69.3
87.02697	54.3
89.00626	4.2
91.05470	2.8
96.04494	89.5
98.21513	4.0
98.98467	9.4
100.02235	4.1
101.02999	3.1
101.04229	15.7
103.02171	34.5
104.02958	5.6
105.07034	2.3
112.02195	100.0
113.02977	4.9
115.82648	1.5
117.03728	17.1
118.06521	2.4
119.08591	4.6
120.08127	1.9
120.08921	5.7
129.02486	1.7
130.06554	4.1
133.10204	2.0
134.10509	5.6
145.02835	2.6
148.11948	2.4
149.05980	2.1
161.09607	6.8
163.28780	1.7
176.02007	66.8
176.06960	3.0
176.15189	6.7
177.05547	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03952	1.2
55.05521	5.4
58.56207	0.7
67.05514	3.6
69.07076	11.1
69.44401	3.0
69.44809	1.8
79.05487	3.2
80.78465	0.8
81.07066	21.8
83.08633	2.4
89.93402	0.7
91.05488	10.6
93.07059	7.3
95.08613	16.4
98.98471	6.3
103.05492	1.1
105.07039	33.0
107.08592	8.9
117.07033	2.3
118.07822	1.0
119.08591	68.7
120.08923	0.7
121.10158	1.2
129.07036	0.9
131.08559	5.0
133.10141	100.0
134.10446	1.4
136.91936	0.6
145.10121	4.9
146.10915	2.0
147.11710	11.6
160.12479	3.5
173.13339	1.9
175.07474	0.8
175.11234	2.1
175.14839	75.0
176.15121	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03946	1.1
55.05510	6.6
57.07074	1.1
59.84371	0.8
67.05493	2.5
69.03413	0.8
69.06726	1.3
69.07076	15.8
69.85452	0.8
70.64137	1.8
70.64475	1.3
79.05504	3.9
80.22041	0.8
81.07066	16.7
83.05000	0.7
83.05493	0.7
83.08614	2.6
90.88194	0.7
91.05490	13.3
93.07067	6.3
95.08616	13.1
98.98472	14.8
103.05465	0.9
104.06245	1.0
105.07037	32.0
107.08615	6.6
110.74023	0.7
115.05491	2.0
117.07018	5.1
119.08591	81.0
120.08836	1.5
121.10148	2.5
129.07040	1.3
130.06563	1.2
131.08565	5.6
132.05740	2.0
133.10143	100.0
134.10452	1.7
135.11717	1.2
142.07764	0.9
145.10146	7.0
146.10899	1.7
147.08054	2.3
147.11711	15.0
157.10178	1.5
160.05219	3.3
160.12509	3.4
173.13293	1.9
175.07564	6.1
175.11369	3.7
175.14844	79.6
176.15222	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.00710	0.9
55.05497	1.1
56.49765	0.8
57.03441	100.0
58.03755	1.1
67.05508	1.6
69.07063	1.8
69.16677	9.3
70.06574	0.9
78.50621	0.8
79.05486	3.4
81.07069	1.5
89.45156	0.8
91.05486	13.0
93.07018	1.6
95.04983	1.5
98.98474	47.1
98.99125	2.3
100.70965	1.1
103.05444	0.9
105.07042	7.9
115.05469	1.4
117.07053	4.6
119.08588	49.9
129.07013	3.8
131.08540	2.1
133.06488	2.9
133.10139	7.6
142.07777	3.9
146.07178	1.6
147.07997	3.7
147.11708	4.8
157.10104	4.8
175.07556	1.4
175.11194	37.6
175.14792	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	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03949	1.1
55.01859	2.7
55.05508	2.8
56.05733	0.9
57.03440	100.0
63.11275	1.0
65.03921	1.1
67.05501	4.1
67.85760	1.0
69.03432	1.8
69.07057	2.9
70.90871	2.3
79.05508	6.1
80.80625	1.1
81.03410	2.4
81.07059	7.8
91.05488	28.5
93.07040	4.1
95.04968	3.1
95.08621	3.1
98.98473	61.3
103.05453	2.4
105.07039	25.1
107.04955	2.8
107.08589	2.4
107.83621	1.1
109.06484	1.3
115.05482	2.2
116.07188	0.9
117.07028	7.6
119.04935	1.1
119.08586	93.2
120.08921	1.6
121.06488	2.5
125.99232	1.1
127.03909	1.1
128.06226	1.5
129.07028	11.5
131.04962	1.6
131.08565	6.9
132.05701	1.3
133.06519	5.0
133.10141	25.6
137.90593	1.0
141.06961	1.1
142.07802	8.0
145.06496	2.5
145.10132	2.7
146.07240	5.1
147.04395	1.3
147.08081	12.2
147.11696	11.6
157.10130	11.6
160.05177	1.5
160.08832	2.8
175.03896	1.3
175.07571	6.0
175.11197	78.2
175.14787	19.5
176.11511	2.7
176.14293	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0756
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
50.82774	0.8
55.01864	3.5
55.05503	2.4
57.22311	0.8
60.20208	0.9
65.03926	1.0
67.05505	1.7
69.03416	3.0
69.07076	6.0
69.16149	8.5
70.06576	2.0
78.04718	4.3
79.05504	6.6
80.35274	0.8
81.07050	5.6
83.04971	0.9
83.08619	1.5
91.05486	58.3
93.07038	4.3
95.08624	6.6
97.02910	1.4
98.21550	1.5
98.98472	50.2
103.05467	7.0
104.06254	24.5
105.03399	1.7
105.07040	24.0
107.04959	12.0
107.08578	5.5
114.96990	0.9
115.05463	43.3
115.06282	2.1
116.06299	1.6
116.99474	1.4
117.07024	30.5
118.07377	1.1
119.04939	1.2
119.08585	92.1
119.63048	0.8
121.06496	1.0
127.05446	1.4
128.06241	20.5
129.06052	0.9
129.07016	22.2
131.04930	11.5
131.08560	5.0
132.05719	68.9
132.95876	4.6
133.06433	1.9
133.10138	43.2
142.07776	2.0
143.03960	1.0
143.04886	5.2
145.06508	8.7
145.10118	2.9
146.07237	1.2
147.04410	2.0
147.08055	58.6
147.11700	8.5
148.08417	2.1
150.96881	1.3
155.06015	4.0
157.06488	1.8
157.07637	2.7
157.10135	2.6
160.05205	49.5
160.08676	1.7
160.12483	1.3
161.05533	1.3
175.07553	100.0
175.11128	13.0
175.14833	33.6
176.06958	0.9
176.08035	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,8-Dihydroxy-3-methylnaphthalene
Peak:m/z	Relative Intensity
53.03938	1.4
55.01877	5.6
55.05506	2.8
60.05627	1.4
61.02951	1.0
63.18702	0.9
65.03941	1.1
67.05502	1.9
69.03414	2.2
69.07071	4.8
70.06572	2.8
70.85637	1.9
70.85980	1.7
71.04993	1.2
72.04535	4.6
72.08152	0.9
72.93809	0.8
79.05482	5.3
81.03433	1.4
81.07050	2.9
83.04994	1.0
91.05483	43.5
91.98710	0.9
92.05811	1.6
92.90067	4.7
93.07034	2.3
94.06534	0.9
94.93148	1.1
95.08604	1.8
97.02898	1.8
97.06512	1.5
98.03706	1.4
98.98470	56.7
103.05466	4.1
105.03406	1.5
105.07035	44.5
107.04961	31.0
107.08567	1.4
109.02856	2.6
110.03664	2.2
111.04436	1.0
115.05460	4.7
115.07516	1.4
117.07032	7.2
119.04906	5.7
119.08587	41.4
120.08108	1.8
120.77720	1.0
125.02254	1.0
127.03918	1.5
127.51969	0.9
128.06213	5.3
129.07008	22.7
130.06526	18.8
131.04909	4.0
131.08580	2.2
132.04471	8.2
132.05695	16.0
132.95824	4.3
133.06500	87.5
133.10135	21.4
133.92665	1.7
133.95988	1.0
134.03638	2.2
134.06848	2.1
141.50279	1.0
142.07762	2.1
143.04918	1.4
145.06483	3.5
145.10150	1.5
147.04417	80.6
147.08051	56.4
147.11685	3.4
148.04753	1.9
148.07544	3.3
150.96861	2.6
151.93753	3.9
151.97191	1.6
153.01807	2.6
154.02222	1.1
155.06096	2.2
157.06482	4.8
157.07625	2.2
157.10078	1.3
158.06044	9.4
160.05209	26.5
160.08839	1.2
167.00349	1.0
169.81090	0.9
175.07538	100.0
175.10936	7.1
175.14830	14.3
176.06892	1.2
176.08083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0261
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00990	1.2
53.03940	2.7
55.01873	8.7
55.05528	2.4
56.67326	0.9
56.94305	1.6
56.96569	95.5
57.03440	18.1
57.07084	2.1
57.93562	1.1
58.03758	1.0
58.99861	1.2
59.05006	1.1
60.05653	32.8
60.95848	2.3
61.02930	12.6
62.06079	1.2
65.03965	1.0
67.05495	3.8
68.00246	1.0
68.99802	1.3
69.03085	1.8
69.03437	26.6
69.07069	7.4
69.27195	2.6
69.27616	6.5
70.06597	90.4
70.95866	1.7
70.98132	12.6
70.99833	1.4
71.01348	3.6
71.04990	5.9
71.95264	3.6
72.08153	5.5
72.93779	3.7
73.02923	23.4
73.06557	1.2
74.00262	1.3
74.03297	1.0
74.06090	1.4
74.97614	4.7
77.00811	1.4
81.01058	1.4
81.03423	8.1
81.99998	2.8
82.01883	1.0
82.02953	2.9
82.99843	1.3
83.00777	3.8
83.01312	1.2
83.04988	5.0
84.08154	6.0
84.96039	8.0
85.01411	4.8
85.02912	23.0
85.06538	1.2
86.06071	1.5
86.09716	26.0
86.95300	1.3
86.97567	1.6
87.01050	1.1
87.04472	3.7
88.99146	3.9
89.00777	3.7
90.01549	3.8
90.94856	1.8
91.00523	7.1
91.05472	3.8
92.01304	1.2
92.90088	3.9
93.01897	1.4
93.52618	2.5
94.06577	5.6
95.00778	2.3
95.01626	2.0
95.04981	1.2
96.01557	5.1
97.00512	2.1
97.02901	25.1
97.96803	2.3
98.01321	2.8
98.03190	1.3
98.97587	85.2
98.98465	44.7
99.02036	1.2
99.04453	6.8
99.97924	1.7
100.00995	1.7
100.99150	3.5
101.00847	16.8
101.02364	1.6
102.00941	1.8
102.02400	1.3
102.52518	1.8
102.53133	21.7
102.96900	3.2
103.00578	7.7
103.02460	9.6
103.03136	1.9
103.03931	1.5
103.05442	2.7
104.01308	1.7
104.03117	1.3
104.05009	3.6
105.00362	1.1
105.02089	2.2
105.07028	1.2
107.04946	1.8
109.00475	1.4
109.02911	5.2
110.01288	15.9
110.51427	1.1
110.97574	17.5
111.02939	2.6
111.04464	2.9
111.53658	17.1
112.01028	15.9
112.07614	28.9
112.08759	3.7
112.99177	2.0
113.00829	1.9
113.01703	1.2
113.02431	2.1
113.07959	1.2
114.00994	1.2
114.53098	1.5
114.97002	1.8
115.00565	4.7
115.02437	5.4
115.03927	4.2
115.05450	2.0
116.01320	1.9
116.02144	1.9
116.07098	25.6
116.97232	4.6
116.98623	30.8
117.02138	1.3
117.03957	1.1
118.01050	5.0
118.02819	1.3
119.01847	51.4
119.04947	1.2
119.08585	2.8
119.51959	1.8
120.02036	3.8
120.03436	1.6
120.97903	1.6
121.01622	10.4
121.03478	2.5
122.01283	1.4
123.53620	6.4
124.01013	4.0
124.99098	1.9
126.97025	2.1
127.00672	2.3
127.02457	2.1
127.03938	9.1
127.53966	1.2
128.02306	15.2
128.98607	17.3
129.00252	1.3
129.03995	2.1
129.53641	4.4
130.02896	1.6
130.06538	100.0
130.08643	28.0
130.09764	11.9
131.00139	4.6
131.01886	6.5
131.02702	1.2
132.04460	83.6
132.95837	12.4
132.98056	2.4
133.01682	6.5
133.03473	21.5
133.10101	2.2
133.92723	2.2
133.95969	1.3
134.99623	5.7
135.53654	5.0
137.02867	4.3
138.54155	4.1
139.01523	1.4
139.03941	2.0
140.00197	1.5
140.98624	1.7
143.00175	7.2
143.01892	2.4
144.02003	1.4
144.54173	1.8
144.98109	14.2
145.01619	6.7
145.03445	11.6
145.05093	1.1
146.99667	8.5
147.01358	2.5
147.03212	3.7
147.04337	2.1
147.08014	1.4
147.09142	1.5
148.03967	1.1
149.01237	1.2
149.02888	1.6
150.96927	6.9
150.99091	2.7
151.04561	5.7
151.93811	4.6
152.98598	1.9
154.02083	2.0
154.03893	1.2
155.00145	2.3
155.01910	1.8
156.03314	14.5
156.06865	1.6
156.98062	1.7
157.01685	3.1
157.03516	4.0
157.04787	1.2
157.07626	30.9
158.06026	98.7
158.09190	6.8
158.99655	8.8
159.03307	3.0
159.06325	1.9
160.05316	1.4
161.01218	7.3
161.02911	2.4
161.04733	3.1
162.99136	9.2
163.02739	5.3
163.04430	3.0
165.00681	1.5
168.03371	7.3
169.01779	1.9
170.99683	5.9
171.01350	2.1
173.01311	2.1
173.02876	2.4
174.03217	1.3
174.04420	10.4
174.99094	4.4
175.02748	2.9
175.04521	31.7
175.06165	4.4
175.08711	20.1
175.11906	16.0
175.14745	1.9
177.00743	4.2
181.00209	1.6
185.01312	1.1
185.02921	1.3
186.04434	25.0
186.99208	1.7
187.02745	3.5
187.04572	1.6
189.00751	3.9
189.02429	1.9
191.02203	1.3
193.00224	3.7
193.05600	1.2
193.07382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0763
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
52.33964	1.0
53.03957	1.9
55.01855	1.0
55.05503	3.1
56.05035	3.5
56.05846	1.6
57.03435	11.3
57.07079	8.3
58.06591	1.9
60.04529	40.3
61.02923	2.7
62.06078	4.9
67.05471	1.5
68.05042	6.7
68.05348	1.0
69.03427	18.6
69.07054	2.3
70.06593	1.3
71.08624	4.2
71.51653	1.6
72.04508	1.2
72.93768	2.0
76.38042	1.1
78.51891	1.1
79.05511	1.6
81.07050	3.8
82.06582	2.0
83.04971	1.6
84.04507	42.0
85.02914	18.1
86.06057	4.9
90.94835	1.9
91.03956	1.8
91.05473	8.4
93.07065	1.6
95.08607	2.8
96.04494	16.2
97.02897	100.0
97.70037	1.1
98.98469	28.7
101.06036	1.5
102.05543	8.5
102.06198	1.4
105.03419	1.2
105.07040	14.1
106.07365	2.2
107.08586	1.9
112.04780	1.8
114.05534	32.9
115.03933	10.8
117.07019	2.3
118.06531	4.0
118.07323	1.5
119.08589	26.2
120.08872	1.3
126.05473	1.4
128.07094	2.9
129.06993	3.2
130.07372	1.5
131.07260	1.2
131.08588	5.5
132.06538	3.0
132.08057	3.3
132.08911	9.0
132.95871	3.8
133.06538	1.9
133.10144	18.1
138.05501	1.3
142.07782	1.6
144.08951	1.6
145.10115	2.6
146.06004	2.4
146.10461	3.0
147.08037	2.7
147.11678	5.1
150.96902	2.8
156.06491	2.3
156.17471	4.8
157.10164	2.0
158.09709	1.3
159.11285	3.5
160.08755	1.6
174.05544	2.0
174.07626	68.5
174.12614	5.3
174.13631	11.4
174.18549	28.2
175.07587	5.2
175.11220	9.3
175.14845	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	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.03938	1.6
55.01864	1.1
55.05508	2.2
55.58792	0.6
56.05038	3.4
56.05860	0.7
57.03444	8.9
60.04528	41.6
61.02942	1.8
66.43336	0.7
67.05505	1.0
68.05022	5.1
69.03432	18.7
69.07061	1.4
70.02960	0.8
70.06599	0.8
70.95870	2.7
71.01302	1.1
71.01620	1.1
72.04542	0.8
72.93786	2.0
79.05482	1.1
80.11019	0.7
80.31342	0.7
81.07066	2.0
83.04972	1.1
84.04510	32.4
84.05285	1.4
85.02907	14.0
86.06069	4.1
88.04002	4.1
90.94829	0.9
91.05477	8.4
91.44742	0.7
93.07072	0.9
95.08641	1.5
96.04494	14.4
96.08962	1.1
97.02895	100.0
98.03207	1.0
98.98463	13.6
98.99052	1.2
100.04007	0.8
102.05551	8.7
103.05451	1.1
105.07028	4.5
111.98520	2.7
112.04809	2.1
114.05537	34.2
115.03936	7.6
115.05472	1.4
117.07032	3.2
118.06551	2.6
118.07353	0.9
119.08586	8.4
120.08881	1.0
126.05463	0.7
128.04976	2.7
128.06244	1.0
128.07079	1.9
128.10764	0.9
129.07033	2.8
131.08578	3.2
132.04457	3.7
132.05704	1.0
132.06610	3.1
132.08072	1.7
132.08911	2.5
132.95845	7.2
133.10129	8.2
138.05473	1.6
144.08025	1.0
145.06465	1.3
145.10057	0.8
146.06023	21.5
146.06937	0.8
146.10518	1.5
147.04517	0.7
147.06410	1.3
147.07991	0.9
147.11719	2.0
150.96889	6.3
155.97449	2.2
156.06462	1.4
156.07576	1.1
157.10141	1.4
159.08063	5.5
159.11304	0.9
160.05222	2.1
173.98500	2.0
174.05490	5.4
174.07629	69.3
174.10413	2.7
174.12599	1.8
174.13658	3.7
175.07526	4.2
175.11186	2.3
175.14828	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	173.1327
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05518	4.3
63.91374	0.8
67.05511	1.2
68.66193	0.7
70.66813	0.7
71.42944	0.8
72.93791	1.5
79.05480	1.4
81.07070	4.3
83.04994	4.7
83.55344	0.8
90.94822	0.9
91.05480	8.7
93.07046	1.8
101.03386	0.8
101.06020	2.8
105.07034	12.0
107.08605	0.7
111.04435	4.6
115.05434	1.6
116.06232	2.7
117.07030	5.4
119.08599	11.1
127.07626	0.8
128.06244	1.2
129.07008	10.1
130.07805	2.3
130.22910	0.6
131.08577	91.3
132.08929	2.0
133.10117	3.1
143.07501	1.6
143.08566	18.6
144.09358	8.5
145.10136	27.8
155.07053	3.3
156.09309	1.8
157.10114	1.0
158.10924	28.9
171.11693	2.6
173.08235	3.6
173.13274	100.0
174.13628	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	173.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.5
59.04980	1.4
67.05483	2.1
69.61121	4.5
72.93792	1.5
76.39168	0.7
79.05490	2.2
81.07072	4.6
83.04981	7.7
90.90396	0.8
90.94850	1.5
91.05489	10.9
101.06042	5.5
103.05446	1.2
105.07032	13.0
105.08115	0.7
111.04449	8.5
115.05453	2.6
116.06230	1.9
117.07027	6.3
119.08589	13.9
123.72298	0.6
127.07555	0.8
128.06224	1.7
129.05478	1.9
129.07013	9.0
130.07788	1.5
131.08575	82.4
132.08861	1.4
133.10117	2.1
142.07739	1.5
143.08574	21.4
143.09703	1.1
144.09396	8.4
145.06511	1.5
145.10130	28.4
146.10468	0.8
155.07045	5.9
156.09334	2.0
157.10077	1.2
158.07277	0.9
158.10930	30.4
171.11696	2.5
173.04581	0.9
173.08160	5.7
173.09657	4.2
173.13272	100.0
174.13591	2.2
188.20702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74453	1.0
55.05516	15.8
56.05030	2.6
57.03438	1.2
57.07064	1.9
59.04996	2.2
66.04292	1.3
66.54299	1.0
67.05511	6.6
68.05025	1.2
69.03435	1.6
69.07072	100.0
70.02958	8.1
70.06588	10.2
70.94262	1.4
71.05000	2.3
71.51600	1.8
72.04517	3.5
72.08164	2.4
72.93793	12.0
74.19332	1.0
80.10194	1.2
81.03406	2.3
81.07068	2.6
82.03777	2.5
82.06544	1.1
83.04990	15.3
83.08647	1.2
84.04487	1.8
84.08150	16.9
85.02917	2.8
85.06561	2.0
86.02435	3.5
86.09711	88.0
87.00842	11.2
87.04433	1.2
88.11269	2.9
89.07167	1.4
89.90695	1.3
90.90380	2.9
90.94830	13.9
91.05468	2.1
93.07073	1.2
94.06580	2.2
95.04951	1.4
95.08616	2.1
96.08154	1.4
97.06514	1.5
98.02413	6.2
98.06046	1.7
98.09745	1.0
98.97602	2.3
99.04485	1.7
100.07606	1.1
101.06037	9.6
104.03470	73.9
105.07015	2.3
106.53209	1.0
107.08585	1.5
108.01662	2.3
108.08137	1.9
108.08940	1.9
108.95875	2.2
109.06532	2.2
110.03234	2.2
111.04444	17.3
112.03973	21.6
112.04653	1.2
112.07614	26.1
113.06038	2.6
113.96431	1.8
115.05460	2.0
116.03455	23.6
116.98678	1.7
117.07037	1.9
119.08598	2.5
126.02719	2.6
126.05550	2.9
126.09180	14.3
126.10017	1.8
127.07577	2.1
128.04292	4.1
129.05516	2.8
129.07042	2.0
131.08549	11.1
131.96124	1.5
136.07639	1.3
137.06015	1.4
143.08559	1.9
144.05675	1.1
144.09018	1.4
145.06526	2.2
145.10124	4.4
148.97440	2.2
149.96103	5.0
154.02229	3.0
154.08595	13.0
154.09602	1.2
155.07040	10.1
157.09703	6.8
158.10980	3.4
167.97224	3.6
172.04337	1.6
172.06155	1.3
172.07532	3.5
172.09738	35.1
172.11026	1.4
172.12083	3.3
172.13374	2.4
172.16988	1.8
173.05998	2.0
173.08177	13.0
173.09607	2.0
173.13252	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	172.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.0
56.05034	1.6
56.93640	1.0
57.07075	3.9
58.63761	1.2
59.04993	2.9
67.05503	5.0
69.03429	2.4
69.07073	28.4
70.02961	16.4
70.06599	4.7
71.02980	2.5
71.04978	1.9
72.93787	6.5
73.04870	1.2
79.05463	1.0
81.03421	1.3
81.07063	2.4
82.03744	2.2
83.04984	14.8
83.08617	1.5
84.04499	1.1
84.08151	19.2
85.02913	4.2
85.06541	2.4
86.02443	2.0
86.09711	100.0
87.00829	14.2
87.10015	1.8
88.11260	3.3
89.02384	1.4
89.90723	1.2
89.94028	1.2
90.90389	3.3
90.94846	6.4
91.05502	1.3
93.07066	1.1
93.70038	1.0
94.06555	1.6
95.08603	3.1
95.23578	1.0
98.02424	4.4
98.06044	1.5
98.97605	1.3
99.04440	1.3
101.06035	8.9
103.05453	2.2
104.03471	29.9
105.07053	1.2
107.01301	1.1
108.01667	4.5
108.08931	1.2
109.02893	1.2
109.06566	1.1
110.03243	5.2
111.04447	16.9
112.03973	48.2
112.07615	18.0
113.05986	1.4
113.96394	1.5
115.05487	1.9
116.03458	23.9
117.06993	2.3
119.08609	2.3
126.02689	4.1
126.03618	1.1
126.05550	1.2
126.09161	9.0
127.07561	2.2
128.04271	4.8
128.07118	1.1
129.05484	3.0
129.06941	1.3
130.08694	1.4
130.96300	1.2
131.04938	3.7
131.08565	5.2
138.30464	1.0
143.08548	1.5
144.09183	1.1
145.06485	1.7
145.10120	4.6
148.97403	2.4
149.94127	2.8
149.96141	2.0
154.02206	4.3
154.08640	3.4
155.06117	1.0
155.07072	9.5
157.09627	2.3
158.07390	1.0
158.10909	1.8
172.04375	2.5
172.06171	1.1
172.07556	2.9
172.09796	12.0
172.15308	1.5
172.16975	1.3
173.05971	1.4
173.08162	10.1
173.09607	1.7
173.13243	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	172.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
55.05513	4.2
56.05049	0.3
56.96563	0.3
57.03445	0.3
57.07075	0.3
59.04991	0.7
61.46917	0.2
67.05498	0.8
68.96348	0.3
69.03423	0.4
69.07069	3.6
69.96200	0.4
70.06595	100.0
70.09770	1.1
70.74927	0.2
70.94249	0.4
71.04976	0.3
71.06924	1.0
72.04523	0.5
72.93784	3.0
81.03432	0.6
81.07015	0.3
81.82043	0.2
82.03748	0.3
82.06586	0.4
83.04980	3.1
84.04492	0.4
84.08149	2.5
85.02917	1.0
85.06530	0.5
86.09703	1.9
86.69280	0.3
87.04482	0.4
88.11264	1.2
89.90688	1.5
89.94047	0.3
90.90382	1.1
90.94836	3.1
91.05492	0.8
96.04460	0.5
98.06054	0.5
98.09723	0.4
98.98516	0.3
99.04501	0.3
100.08495	0.2
101.06030	2.8
103.05506	0.3
104.03474	2.2
105.07061	0.3
108.01657	1.0
108.08142	0.2
108.95860	0.4
109.02882	0.3
109.06521	0.4
109.98997	0.4
110.03232	0.9
111.04453	3.9
112.07610	46.0
112.23043	0.3
113.06001	0.5
113.07923	0.6
113.96420	0.5
114.09300	0.3
115.05489	0.3
115.25049	0.3
116.03441	0.3
117.07012	0.9
119.08622	0.4
126.02678	0.4
126.05500	0.3
126.09165	3.5
127.07580	0.4
127.99972	0.3
128.04242	0.5
128.07082	0.3
129.05475	1.1
129.07034	0.4
130.05112	0.3
130.08647	11.8
130.93274	0.6
130.96317	1.1
131.04945	0.4
131.08577	2.1
131.93016	0.3
131.96181	1.3
137.90587	0.2
140.07080	3.6
143.08569	0.7
145.06468	0.8
145.10149	1.1
148.94365	0.5
148.97417	1.1
149.94031	0.8
149.96091	1.0
149.97208	1.5
153.97881	0.4
154.02164	0.7
154.08635	1.1
155.07047	2.5
157.09686	0.8
158.10918	1.1
167.97157	0.7
169.49280	0.3
171.99023	0.5
172.07571	0.9
172.09752	3.5
172.11139	0.3
172.13347	0.4
172.16997	0.5
173.05919	0.6
173.08145	2.7
173.09550	0.4
173.13295	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0288
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02385	1.9
53.03950	5.6
53.62419	1.1
55.01874	4.3
55.05506	2.2
69.03434	6.7
72.04527	4.9
75.02187	0.9
79.01861	7.7
81.03424	68.6
83.08612	1.3
89.07135	4.2
96.02121	4.1
97.02903	6.3
98.28075	0.8
107.01324	78.7
108.01648	0.8
109.02889	100.0
110.03194	1.9
125.02361	57.5
127.03925	71.3
128.04213	1.0
128.06221	1.8
129.06929	1.0
133.85425	0.8
135.00792	8.9
137.03490	3.9
139.03891	1.4
141.06978	1.6
143.03395	2.4
143.08595	3.0
153.01842	88.7
154.02145	2.1
155.08592	1.4
156.09372	7.9
171.02921	16.9
171.06662	0.9
171.07930	1.3
171.10349	1.1
171.11668	5.8
171.14952	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	171.0289
Annotation	Gallate
Peak:m/z	Relative Intensity
50.06881	0.8
51.02391	2.0
53.03954	7.7
55.01876	6.2
55.05518	8.2
56.05017	1.0
57.03443	2.3
57.06343	0.8
63.02713	1.9
65.03947	1.0
67.05518	2.5
68.99792	2.6
69.03430	9.1
69.07063	3.3
69.56230	5.3
70.06606	1.4
70.94257	2.4
71.05009	1.0
72.04518	13.0
72.08156	2.3
75.82930	0.9
79.01860	8.5
79.05502	4.2
81.03422	72.7
81.07068	3.2
82.06577	1.5
83.04987	3.6
83.08629	4.1
84.08147	9.4
85.02913	1.8
86.09708	1.0
87.04488	1.9
88.95308	2.4
89.07151	8.1
91.05476	2.1
93.03423	1.0
93.07050	3.2
95.05025	1.1
95.08630	1.5
96.02128	3.5
97.02901	6.4
97.06532	3.3
99.04456	1.1
105.07029	1.0
107.01324	84.5
107.05032	1.0
107.08603	5.8
108.01656	1.8
109.02888	100.0
109.06480	1.2
109.10158	1.2
110.03267	1.1
111.04452	7.9
111.08087	2.9
112.07614	1.7
115.05437	2.0
125.02361	64.4
125.06012	2.4
125.09638	3.1
126.02777	1.2
126.09154	3.2
127.03925	75.2
128.04288	1.4
128.06233	4.5
128.07063	1.0
129.07016	1.7
130.08656	4.9
133.54790	0.8
135.00790	9.7
135.11720	1.0
137.03467	3.5
139.00302	2.9
139.03903	4.7
141.07037	2.6
143.03389	2.9
143.06013	0.9
143.08528	5.5
153.01840	88.2
153.02800	3.4
153.09152	2.8
153.12781	1.1
154.02170	1.7
154.08545	1.1
156.09375	7.0
157.01442	0.8
164.57997	0.7
171.02919	26.0
171.04301	1.9
171.06607	2.1
171.08063	2.0
171.11644	7.2
171.14926	5.5
172.09750	1.0
193.25192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.0814
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03944	1.0
55.01870	1.7
55.05505	0.6
55.66584	0.3
55.93495	0.3
56.05040	0.5
56.96567	17.8
57.03449	1.9
58.06592	0.3
60.95848	0.9
61.02919	1.5
65.03933	0.6
67.05486	0.6
68.05022	0.5
68.60454	0.3
68.98284	0.6
68.99786	1.4
69.03426	2.7
69.38769	1.6
69.39175	0.7
70.06609	1.2
70.98119	3.3
71.01342	0.6
71.05004	0.5
71.95264	1.4
72.04515	0.4
72.08163	0.5
73.02929	2.5
79.01878	0.7
79.05495	2.0
80.05041	0.5
81.03419	7.0
81.05803	0.7
81.07043	0.6
82.01425	0.5
82.06581	1.1
83.00782	0.8
83.04994	0.4
84.04499	1.1
84.08141	0.7
84.96011	0.6
85.01417	1.2
85.02913	2.8
86.99348	0.6
87.11844	0.3
88.99167	0.8
89.00790	0.7
90.01581	0.4
92.04980	0.4
94.65192	0.3
95.00779	0.7
95.04981	0.6
96.01536	0.6
96.04478	0.6
96.08125	3.1
96.17655	0.3
97.02893	2.4
97.06567	0.4
97.99195	0.4
98.01276	0.8
98.06074	0.6
98.21524	0.7
98.97593	10.0
99.04460	0.7
99.97880	0.4
100.02482	1.3
100.07600	0.8
100.99144	0.6
101.00862	2.7
101.99751	0.3
102.02200	0.4
103.00640	0.7
103.02423	1.5
104.01293	0.9
106.01023	0.5
106.06565	2.1
106.07195	0.4
107.01318	6.7
107.01955	0.6
107.04943	1.1
109.01385	0.9
109.02889	9.3
109.11265	0.4
110.01324	2.3
110.02037	0.4
110.06037	1.2
110.07167	1.0
110.97575	12.2
110.99301	0.6
111.00202	0.5
111.02056	0.5
111.04437	1.1
112.07603	0.7
112.99151	0.5
113.00871	0.6
113.11606	0.4
115.00639	0.6
115.02438	0.4
116.01283	0.4
116.98649	2.9
117.02088	0.6
118.01038	4.1
118.01817	0.5
118.95321	0.3
119.01883	4.9
119.51944	0.4
120.00819	0.6
120.02035	0.5
121.01675	0.8
122.06067	0.6
123.06828	0.9
124.02403	0.4
124.07600	7.3
125.02433	4.4
125.05991	0.7
126.02534	0.4
127.00668	0.6
127.01535	4.6
127.02400	0.5
127.03924	6.2
128.02342	0.6
128.94170	0.3
128.95120	0.9
128.98608	12.1
129.00296	2.4
129.01868	1.8
129.03944	0.7
131.00137	0.7
131.01859	1.3
133.01640	1.2
134.06020	69.4
134.99759	0.7
135.00725	0.7
135.06351	1.2
136.02048	0.7
136.06230	0.5
139.00287	1.7
139.03944	0.6
140.02368	0.4
140.98636	0.5
141.11032	0.8
142.03450	0.4
142.08659	1.1
143.00146	1.0
143.01868	0.6
145.01692	0.4
145.03435	0.4
146.03606	0.9
146.96016	0.4
146.99670	5.4
147.01419	7.7
147.03166	2.0
147.05019	1.5
149.02916	0.4
150.05530	0.3
152.07069	100.0
153.01837	6.8
153.02988	0.7
153.07439	2.2
157.01401	0.8
158.04161	0.5
158.06613	0.5
158.99733	1.0
159.03259	0.5
161.04736	0.4
164.04417	0.3
165.00731	0.8
165.02469	0.4
170.03021	3.0
170.05086	0.8
170.08138	16.3
170.09563	1.4
170.11765	1.6
170.99687	0.7
171.02882	2.0
171.06456	0.5
177.00699	0.8
177.04369	0.5
183.01956	0.4
188.07693	0.4
189.00768	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(E)-2,4-Ochtodiene-1,6-diol
Peak:m/z	Relative Intensity
53.03942	3.1
55.01872	8.7
55.05500	4.6
57.03199	1.2
57.03444	16.9
57.07077	1.2
59.05009	16.0
64.03913	1.0
65.03930	3.8
67.05512	19.6
67.35687	0.9
68.99791	1.7
69.03420	5.2
69.07052	5.8
70.06569	1.8
70.07425	1.6
71.05000	10.6
71.07492	1.8
71.07841	1.0
75.04487	43.6
75.28957	1.0
79.05500	13.3
81.03409	4.7
81.06588	2.0
81.07061	34.8
83.04980	3.5
85.02907	1.9
85.06544	3.3
91.05491	11.5
93.03404	2.2
93.07051	100.0
95.04976	9.4
95.08615	32.0
97.02887	1.1
97.06534	5.5
98.06047	0.9
99.04450	2.6
105.04507	1.4
105.07049	14.3
107.08602	30.7
108.08914	1.2
109.02882	10.9
109.06535	14.7
109.10165	35.6
111.00806	3.5
111.04444	3.0
111.08090	4.1
113.05991	1.2
123.04455	4.0
123.08075	8.6
123.11716	14.1
124.07563	1.6
125.06081	2.4
125.09686	1.9
126.03161	8.1
133.10143	20.7
137.02342	3.4
139.11168	1.9
141.05479	18.5
141.07033	3.4
142.08566	1.2
146.84103	1.0
151.03891	3.4
151.07607	2.7
151.11192	43.4
152.07063	1.1
154.07805	2.0
163.97691	1.0
169.03673	1.8
169.05016	9.9
169.06400	1.5
169.07584	4.7
169.08839	1.5
169.09973	2.5
169.12253	44.1
170.08127	2.8
170.09720	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	169.1225
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03940	3.5
55.01878	8.3
55.05514	12.6
57.03445	7.3
57.07080	8.7
59.05009	27.6
65.03944	6.6
67.05512	79.7
68.99775	1.8
69.03089	1.6
69.03436	19.1
69.07076	33.2
69.68909	1.4
70.20848	1.3
71.05001	53.3
71.24828	1.7
75.04494	1.5
79.05065	2.4
79.05502	30.9
81.03429	5.4
81.07066	100.0
82.06601	1.5
83.04976	5.9
83.08639	3.8
85.02916	3.1
85.06554	65.9
87.04489	4.6
89.06042	1.3
91.05490	35.4
93.03425	1.3
93.07057	35.5
94.07347	1.5
94.37561	1.5
95.04981	14.4
95.08613	22.9
96.08128	1.6
97.02855	1.4
97.06536	11.0
99.04460	3.9
99.08079	2.0
105.07043	46.6
106.07337	2.2
107.08610	36.7
109.02867	7.6
109.06530	42.6
109.10169	57.3
110.10542	1.3
111.00807	4.9
111.04432	6.2
111.08112	7.2
113.05991	2.3
121.10160	4.3
123.04472	2.2
123.08078	16.1
123.11721	42.2
125.05978	1.8
125.09637	4.3
126.03130	5.2
127.03922	4.4
127.07503	1.9
133.10143	42.9
139.11180	2.0
141.05482	11.3
141.07028	4.1
142.08588	1.5
151.03889	2.2
151.11197	96.5
152.11565	2.4
154.07820	1.6
167.48219	1.7
169.05074	9.0
169.06450	2.7
169.07603	9.7
169.10104	5.3
169.12244	17.7
170.08121	4.6
170.09633	2.8
178.11852	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0498
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.00307	0.7
53.03936	0.9
55.01860	2.4
55.05505	2.0
57.03422	1.1
63.43778	0.5
65.03936	2.2
67.01868	5.1
67.05506	5.6
68.05819	0.6
68.99796	5.7
69.03423	1.9
69.07064	1.5
71.05005	3.2
71.10139	1.0
71.10471	0.7
79.05499	2.1
81.03417	4.8
81.07055	6.5
83.04984	1.9
85.02905	2.2
85.06527	0.7
91.05478	1.1
93.07040	2.1
95.04973	8.3
95.08604	2.5
97.02885	0.8
98.03660	1.7
99.04453	1.2
105.07032	0.9
107.08604	2.6
109.02891	9.9
109.06493	3.4
109.10155	2.4
111.00824	9.0
111.04440	2.3
111.08092	3.2
113.06009	0.9
117.09830	0.6
123.04440	35.0
123.08051	2.2
123.11717	3.2
124.01559	0.6
124.04688	1.1
124.07592	0.7
125.05969	2.0
125.09660	0.8
126.03148	10.9
127.03928	11.6
129.28188	0.7
133.10162	1.2
141.05469	30.1
151.03911	52.7
151.07565	1.1
151.11179	1.9
152.07135	0.9
154.02623	2.2
163.97742	0.8
169.04976	100.0
169.09996	1.3
169.12256	1.8
170.05321	1.5
170.77650	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03937	5.0
55.01866	4.4
55.05516	39.8
55.73448	1.2
56.95789	1.3
57.03442	12.5
57.07079	6.9
59.04988	1.4
65.03941	3.4
65.13027	1.2
67.05506	25.8
67.33591	1.2
69.03433	9.7
69.07071	86.4
69.26375	2.7
69.26795	8.3
70.07390	1.4
71.05002	8.6
71.08617	1.3
77.79589	1.2
77.85916	1.3
78.04711	10.1
79.05496	38.2
80.05863	1.6
81.03406	2.5
81.07061	82.0
83.04984	7.3
83.08623	58.2
85.02926	1.3
85.06536	6.6
91.05490	20.8
93.07048	100.0
95.04980	6.1
95.08611	43.4
97.06535	12.9
97.10168	6.1
98.20757	1.8
99.04495	1.2
99.08138	1.7
105.03391	1.6
105.04510	2.5
105.07041	9.5
106.04150	5.7
107.04964	5.0
107.08599	95.8
109.02858	1.8
109.06526	13.9
109.10167	15.0
111.04478	3.2
111.08085	37.5
119.06173	1.7
121.01665	2.2
121.02870	3.5
121.06507	5.5
121.10147	54.3
122.10529	1.2
123.04437	16.2
123.08103	7.6
123.11715	17.2
124.05206	5.8
124.07594	1.2
125.06047	2.4
125.09641	13.9
131.08569	3.5
135.04385	1.6
138.06709	1.4
139.03902	2.0
139.07553	4.4
139.11171	3.1
140.03477	1.4
144.03253	2.4
149.02388	5.4
149.06030	2.4
149.09650	8.0
149.13268	76.3
150.13580	2.7
151.03918	4.5
152.04672	4.9
167.03415	9.5
167.07056	60.8
167.08417	3.0
167.10713	9.3
167.14328	45.1
168.07469	1.7
168.14560	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1069
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03942	3.7
55.01862	5.5
55.05511	9.4
56.96568	2.0
57.03441	14.4
57.07078	8.0
58.89243	1.0
59.04998	2.3
65.03928	8.2
67.05505	46.5
69.03413	5.2
69.06720	1.7
69.07071	17.8
69.73840	1.0
71.04994	3.4
77.03924	1.8
78.04716	12.7
79.05494	65.0
80.05050	1.2
81.03410	3.1
81.07059	39.4
83.04980	21.5
83.08612	4.6
83.93054	1.6
85.06529	1.6
85.60674	1.3
91.05476	21.2
93.03391	10.6
93.07048	100.0
94.06580	1.8
94.07362	1.7
95.04986	10.3
95.08611	19.9
97.02889	2.1
97.06538	16.0
98.98489	1.2
99.04426	1.7
103.05476	1.8
105.03402	2.5
105.04521	2.6
105.07033	16.6
106.04136	2.6
107.04961	14.1
107.08595	40.3
108.04452	1.1
109.02882	3.6
109.06518	9.7
109.10175	3.6
111.04443	37.6
111.08085	7.4
119.08562	3.2
120.08068	1.2
121.01683	4.0
121.02840	3.4
121.06532	6.9
121.10146	97.9
122.06815	1.2
122.10473	2.2
123.04450	21.9
123.08074	13.3
123.11697	4.9
124.05223	7.0
125.06001	18.7
125.09599	8.6
129.64565	1.2
131.08577	4.9
134.03691	1.7
134.07329	1.4
135.04417	1.2
138.05460	1.6
139.03905	3.7
139.07588	2.6
139.11172	6.5
140.07024	1.4
144.03267	1.3
149.02377	8.5
149.06007	2.4
149.09625	38.2
149.13170	5.4
150.05565	1.3
151.03915	4.0
152.04715	5.5
152.08354	2.6
167.03426	13.7
167.05499	3.5
167.07047	93.7
167.08388	3.8
167.10672	85.0
167.14323	7.5
168.10115	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03944	4.3
55.01867	1.8
55.05516	13.1
57.03449	1.5
57.07068	2.4
59.05000	4.4
65.03940	1.4
66.95918	0.7
67.05502	7.1
68.99802	1.0
69.03442	3.8
69.07071	45.1
71.04983	0.9
71.51506	1.3
76.05788	0.7
77.03929	1.3
78.04723	7.1
79.05497	25.1
79.11331	0.8
81.03426	1.6
81.07064	16.7
83.00092	0.8
83.04980	3.7
83.08621	3.7
84.96035	1.3
91.05482	15.9
92.05791	0.9
93.07048	81.2
94.04270	0.9
95.04960	5.1
95.08611	14.8
97.06548	9.7
97.10203	1.1
103.05480	2.8
105.04507	1.7
105.07036	23.5
106.04178	2.4
106.07833	1.9
107.04980	3.8
107.08582	9.2
109.02866	1.9
109.06519	2.8
109.10162	1.9
111.04442	3.0
111.08099	1.6
111.11731	7.0
119.08614	3.6
121.01637	1.0
121.02834	1.6
121.06526	2.8
121.10152	100.0
122.06033	1.5
122.10493	1.9
123.04443	12.0
123.08071	6.8
123.11709	1.3
124.05214	3.5
125.06008	1.7
125.09680	1.9
126.05539	0.9
131.08611	1.0
133.07628	2.8
135.04373	1.1
139.07570	1.1
139.11153	4.1
143.96729	1.1
144.03261	1.6
149.02359	4.2
149.05994	1.2
149.09621	16.0
149.13286	1.6
151.03944	2.0
152.04709	2.2
162.02872	0.8
163.03940	0.9
167.03441	4.9
167.07057	37.4
167.08540	2.2
167.10689	31.2
167.14352	2.5
168.13867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03947	5.6
55.01867	2.8
55.05514	8.9
57.03430	2.8
57.07058	1.5
59.04996	2.0
65.03935	1.6
67.05508	6.1
68.99787	1.0
69.03423	2.9
69.07078	7.6
70.07381	0.9
71.01348	1.0
71.04990	3.0
71.28844	1.1
73.73377	0.8
75.04481	5.2
75.04826	0.8
75.16099	0.9
77.03913	2.4
78.04716	9.4
79.05497	28.5
81.03413	2.2
81.07059	18.4
81.97943	0.8
83.04977	5.3
83.08604	1.8
85.06549	4.8
91.05488	21.7
92.05840	1.1
93.03416	1.6
93.07049	100.0
93.76004	0.8
94.07359	2.1
95.04971	7.9
95.08604	8.8
95.48400	0.8
97.06549	4.8
103.05492	1.6
105.03428	0.8
105.04510	2.6
105.07033	15.6
106.04197	4.0
107.04983	6.5
107.08601	23.9
108.08958	1.1
109.02870	1.9
109.06531	8.8
109.10147	2.3
111.04463	5.8
111.08089	27.2
116.06309	0.8
116.98502	1.0
119.08566	3.6
121.01690	1.6
121.02869	1.6
121.06522	6.6
121.10150	83.6
122.03628	1.0
122.10490	2.4
123.04443	19.5
123.08083	4.8
123.11705	3.1
124.05220	6.3
125.06039	4.5
125.09625	3.2
131.08554	5.4
133.07599	1.7
134.03612	0.9
137.06075	0.9
139.03891	1.1
139.07558	2.9
139.11201	6.4
149.02325	4.2
149.06009	1.3
149.09610	15.8
149.13249	1.3
151.03918	3.6
152.04755	4.3
152.06091	0.9
167.03398	4.2
167.07057	74.7
167.08557	2.7
167.10661	12.8
167.11938	1.4
167.14333	1.7
168.07524	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03942	4.5
55.01868	2.9
55.05524	4.7
57.03428	3.9
57.07059	1.1
59.05002	1.1
65.03933	2.8
67.05501	5.0
69.03426	2.4
69.07066	5.8
69.79643	4.2
71.04987	2.5
74.22054	1.2
75.04473	3.5
77.03924	1.4
78.04716	11.5
79.05497	23.9
80.05851	0.8
81.03427	2.1
81.07058	13.7
83.04987	4.2
83.08633	2.0
85.02914	1.3
87.04443	1.4
91.05483	20.8
93.03391	1.9
93.07044	100.0
94.07355	1.8
95.04965	6.4
95.08599	6.5
97.02840	1.0
97.06538	5.6
100.39543	0.9
103.00619	0.8
103.05465	1.8
105.04513	2.8
105.07034	17.4
106.04159	5.4
107.04981	5.4
107.08591	23.2
109.02881	2.1
109.06523	8.3
111.04428	3.4
111.08087	26.5
111.11673	1.0
119.08577	3.4
121.02896	2.6
121.06535	6.1
121.10146	80.1
122.03634	1.1
122.09635	1.2
123.03581	1.4
123.04432	20.6
123.08073	5.5
123.11703	3.3
124.05225	6.8
125.06012	3.3
125.09647	2.9
131.08592	4.3
133.07669	1.0
134.03653	1.3
135.04405	1.4
137.05980	1.1
139.03900	1.4
139.07507	2.4
139.11169	4.6
140.07097	1.0
140.10660	0.8
149.02361	3.4
149.05975	1.6
149.09628	13.8
149.13362	0.9
151.03883	4.2
152.04671	3.9
167.03421	5.3
167.07042	75.3
167.10663	13.0
167.14319	2.5
168.07448	1.5
186.23352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0705
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02382	0.3
52.03143	0.3
53.03939	1.2
55.01860	0.7
58.77771	0.3
61.57940	0.3
65.03934	0.5
65.72349	0.3
66.04716	0.9
66.18814	0.3
67.05524	0.6
68.73195	0.3
69.03422	0.3
69.07074	0.5
70.46643	0.4
70.46990	0.9
77.03910	0.7
78.04714	15.1
79.05064	0.5
79.05489	4.3
81.03446	0.5
81.07043	1.1
83.05004	0.6
85.02908	0.5
91.05491	1.9
93.03410	0.7
93.07042	2.4
94.04192	0.7
95.04989	2.1
96.05733	1.2
97.54049	0.3
105.03372	1.1
105.04512	0.6
106.04178	7.2
107.04974	1.9
107.08585	1.0
109.02903	1.4
109.06522	0.7
110.03677	0.4
111.04436	0.4
120.02116	0.5
121.02888	1.6
121.06474	1.0
121.10150	0.8
122.03635	1.2
123.04436	26.5
124.05231	7.1
130.46422	0.3
131.08620	0.4
134.03630	0.9
135.04410	0.9
137.05966	1.3
139.03912	0.7
139.07564	0.3
149.02325	0.6
149.06001	1.3
149.09659	0.7
150.03136	0.5
151.03915	5.5
152.04683	4.9
167.07045	100.0
168.04214	0.6
168.07408	2.4
173.47391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03419	0.3
53.03940	1.4
61.18079	0.3
65.03926	0.8
66.04704	0.6
67.05500	0.7
69.07063	0.6
69.62998	1.7
77.03918	0.5
78.04717	16.6
79.05508	2.4
81.03420	0.5
81.07053	0.9
81.83685	0.3
83.72927	0.3
91.05468	0.7
93.03380	0.8
93.07044	0.3
94.04180	0.9
95.04997	2.0
96.05740	1.0
105.03375	1.2
105.04535	0.6
106.04182	7.3
107.04984	1.8
109.02887	1.1
109.06525	0.5
113.98557	0.3
115.77707	0.3
121.02895	0.6
122.03661	1.6
123.04437	27.8
124.05244	5.7
134.03630	2.1
135.04402	1.4
137.02350	0.5
137.06020	1.2
139.07619	0.5
149.02367	0.5
151.03903	5.3
152.03558	0.5
152.04689	5.5
165.05534	0.4
167.07048	100.0
168.04234	0.7
168.07381	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	167.0705
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
50.48140	0.3
52.03154	0.4
52.52645	0.3
53.00314	0.4
53.03944	1.1
53.46241	0.3
55.01856	0.3
63.41628	0.3
65.03936	0.9
66.04718	0.7
67.05509	0.8
68.99786	0.4
69.07066	0.9
70.25501	1.4
77.03945	0.5
78.04716	17.9
79.05499	4.0
81.03407	1.1
81.07036	1.1
83.04962	0.6
84.96007	0.4
85.02925	0.5
87.57771	0.3
91.05475	1.4
91.82878	0.3
93.03385	0.9
93.07030	1.5
94.04185	0.8
95.04986	2.1
96.05751	1.0
97.06525	0.5
103.00672	0.4
105.03384	1.4
105.07027	0.4
106.04180	8.8
107.04947	1.6
107.08616	0.6
109.02876	1.9
109.06526	0.8
110.03667	0.4
120.02089	0.3
121.01696	1.0
121.02853	0.9
121.06487	0.9
121.08430	0.8
121.10122	0.7
122.03663	1.9
123.04436	30.2
124.05251	7.3
131.08583	0.4
134.03635	1.5
135.04440	0.5
137.02315	0.5
137.05960	1.3
139.07571	0.8
143.95032	0.3
144.03304	0.5
149.02362	1.0
149.05925	0.4
149.09517	0.4
150.03152	0.4
151.03929	5.8
152.04703	5.9
167.07047	100.0
168.04155	0.4
168.07381	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	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.03941	0.2
69.86264	0.8
69.86570	0.2
77.03969	0.1
79.05496	1.4
86.35484	0.1
91.05473	0.9
91.52363	0.1
93.07045	2.5
95.04973	0.3
103.05470	10.9
104.05807	0.3
107.04964	1.9
108.98978	0.1
120.08111	100.0
121.08466	2.1
131.04926	2.4
137.60654	0.2
149.05984	0.6
150.56770	0.1
166.07440	0.2
166.08632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0865
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.02356	0.2
53.03947	0.2
55.05495	0.3
60.08761	0.1
65.03949	0.3
65.21340	0.2
67.05495	0.7
69.07065	0.2
69.84895	0.4
69.85313	0.5
78.04681	0.3
79.01844	0.8
79.05492	2.1
80.05016	0.6
80.05849	0.2
81.07046	0.5
83.93040	0.5
85.02950	0.1
90.78084	0.2
91.05479	1.3
92.05835	0.4
93.07048	2.9
94.06555	0.3
94.07405	0.2
95.04989	0.3
95.08604	0.4
97.02917	0.4
101.47986	0.2
103.05473	11.7
104.05822	0.2
105.07050	0.5
106.04168	0.2
106.07370	0.3
107.04967	2.4
107.08596	0.4
109.06538	0.3
110.06055	0.2
111.08092	0.4
118.06520	0.2
119.07313	0.3
120.08114	100.0
121.06524	1.1
121.08463	1.9
121.10126	1.2
122.05933	0.2
123.04464	0.6
124.03951	0.3
131.04939	2.3
136.07608	1.0
138.05496	0.5
142.96732	1.0
143.03479	0.5
148.04814	0.9
148.07596	0.5
148.12065	0.3
149.02397	0.3
149.05998	0.7
152.04688	0.2
153.03026	0.3
166.04977	1.9
166.08626	4.6
166.13229	0.3
167.03424	0.5
167.07034	2.0
167.10667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1639
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
53.03955	0.7
55.05511	6.6
56.65427	0.4
57.07083	7.2
59.13539	0.4
59.49934	0.5
65.03950	0.7
67.05508	41.2
68.05846	0.5
69.03412	0.6
69.07074	8.7
69.53764	2.7
69.54170	0.7
71.08640	3.5
74.08128	0.4
79.05483	4.1
81.07061	36.6
83.05019	0.6
83.08637	2.4
85.10178	1.7
91.05486	4.0
93.07047	3.9
95.04970	1.2
95.08611	64.3
96.08941	1.3
98.20818	1.1
105.07027	2.7
107.04973	0.6
107.08582	3.8
109.06551	1.3
109.10161	100.0
110.10486	1.4
119.01914	1.2
119.04971	3.4
119.08583	2.6
120.08185	0.5
121.10169	2.3
122.07330	0.8
123.04472	1.0
123.08081	1.2
123.11714	28.4
135.08087	1.0
137.09622	2.0
137.13254	1.5
142.03528	1.2
147.04419	6.8
147.08090	0.8
147.11716	2.0
149.09592	1.4
150.10390	7.2
165.05548	0.5
165.09142	1.7
165.12766	32.8
165.16405	12.3
166.08632	0.8
166.13106	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03939	3.1
53.41037	1.1
55.01868	1.6
55.05516	7.4
57.03427	5.1
57.07080	5.4
59.04992	3.8
65.03944	2.4
65.55439	1.1
67.05510	35.4
69.03445	9.6
69.07071	10.9
69.48212	4.7
69.48635	3.9
71.04962	1.3
79.05491	16.5
81.03416	1.6
81.06594	1.7
81.07059	33.9
83.04967	4.6
83.08620	3.3
83.36053	1.1
91.05488	30.9
93.07044	11.7
95.04971	52.2
95.08608	33.4
97.06505	1.4
101.00873	2.6
103.05441	2.4
105.07034	24.3
107.04973	6.0
107.08600	45.3
108.05747	1.8
108.08923	1.2
109.06525	29.3
109.10151	6.3
110.07289	3.3
115.80283	1.1
117.07046	6.3
119.01923	4.4
119.04962	15.5
119.05863	1.7
119.06133	1.5
119.08586	48.0
120.08113	5.0
120.08885	1.4
121.06506	3.0
121.10141	11.3
121.83652	1.1
122.07134	1.5
123.04430	2.3
123.08072	41.7
123.11710	31.8
129.07027	2.2
132.05705	3.5
137.05960	2.4
137.09663	7.6
137.13287	5.8
142.03557	6.0
147.03253	1.5
147.04430	26.6
147.08038	26.0
147.11676	12.1
165.05495	1.6
165.09122	9.7
165.12761	100.0
166.13145	2.3
180.52815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0549
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.46209	0.2
53.03935	0.5
53.08723	0.2
53.65090	0.3
55.01861	0.3
57.85999	0.3
65.03940	1.9
65.62585	0.3
65.92611	0.3
67.05499	1.2
69.03432	0.5
71.00623	0.3
71.00964	0.3
72.24483	0.3
79.05505	0.8
80.87347	0.3
81.07060	0.7
82.99876	0.7
90.09737	0.2
90.73312	0.3
91.05492	30.9
92.05814	0.5
93.07076	0.6
95.04986	2.7
95.08629	0.3
101.00898	3.8
101.01519	0.5
103.05470	0.6
105.07025	0.6
109.06519	0.8
109.10178	0.6
113.34481	0.3
114.05843	0.3
119.01952	6.9
119.04953	56.0
119.08575	1.5
120.05294	1.0
120.08125	0.7
121.06456	0.4
123.04453	4.5
123.08053	0.6
124.02436	0.6
133.02858	0.4
136.08664	0.3
137.03102	1.3
137.04120	0.4
137.05980	1.8
137.09599	0.6
142.03516	4.9
147.04422	100.0
148.04803	1.9
160.04562	0.8
165.01822	0.4
165.05511	2.5
165.09094	1.5
166.04971	0.3
166.08594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0912
Annotation	Ethyl phenylacetate
Peak:m/z	Relative Intensity
51.02377	0.4
53.03942	1.1
55.01876	1.1
55.05513	0.9
57.03433	0.6
65.03936	2.1
67.05507	5.9
68.05858	0.4
68.52296	0.4
68.99796	0.4
69.03428	1.7
69.07098	0.4
69.43297	0.8
69.43709	2.1
71.04997	0.4
79.05505	3.1
81.03430	0.9
81.07052	3.4
83.01349	0.5
83.04989	1.1
85.02895	0.4
91.05486	38.0
92.05831	1.0
93.07045	2.2
95.04974	4.9
95.08601	3.5
100.02420	0.4
101.00883	2.4
103.05482	1.3
105.04539	0.4
105.07043	3.6
107.04946	1.6
107.08612	0.9
109.02891	0.4
109.06503	2.7
109.10155	5.1
117.07012	1.5
119.01958	3.3
119.04948	58.1
119.08586	7.6
120.05257	0.8
120.08107	2.1
121.06547	0.6
122.07304	1.2
123.04435	36.6
123.08063	2.8
124.02474	0.6
124.04765	0.8
128.06229	0.7
129.07004	0.7
132.05734	2.4
133.02867	0.6
133.05437	0.4
133.06497	0.7
136.07625	0.4
137.03040	0.5
137.05974	6.2
137.06946	0.5
137.09624	6.9
137.10599	0.6
137.74228	0.4
142.03488	3.4
147.04414	100.0
147.08047	7.6
148.04735	2.2
148.07564	0.4
150.06734	0.9
153.01828	0.5
160.04544	0.7
164.80673	0.4
165.01842	0.7
165.05508	7.7
165.09122	38.3
165.13879	0.7
166.08662	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
53.03915	0.9
55.01839	0.9
55.05468	1.3
57.03407	0.6
57.25954	0.4
65.03943	2.5
67.05506	6.2
69.03402	1.0
69.07033	0.5
70.47535	1.6
77.03880	0.8
79.01811	0.7
79.05495	3.6
81.03387	0.8
81.07063	5.8
82.99831	0.5
83.04940	1.0
91.05485	39.1
91.08022	0.5
93.07067	3.7
95.01286	0.5
95.04974	8.5
95.08594	4.4
101.00883	3.5
103.05443	1.7
105.03378	1.2
105.06403	0.7
105.07035	9.3
107.04924	1.0
107.08608	3.1
108.29580	0.5
109.06521	3.6
109.10162	4.1
117.06986	1.0
119.01935	5.4
119.04945	60.3
119.08588	8.3
120.05293	1.0
120.08094	1.7
121.06505	0.8
121.10130	2.4
122.03674	0.6
123.04430	49.7
123.08028	2.9
123.11724	0.8
128.76682	0.5
129.06998	0.6
129.26086	0.5
133.02855	6.1
133.06470	2.8
137.03015	1.0
137.05980	17.9
137.09605	6.4
138.09123	1.5
142.03517	4.1
147.04414	100.0
147.08078	2.1
147.11720	3.4
148.04790	1.9
165.05505	17.3
165.06784	0.7
165.09114	6.6
165.12762	5.7
166.04971	0.9
166.08670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02982	0.6
52.40068	0.5
53.76865	0.5
69.61585	1.1
69.61985	2.6
82.01466	0.8
82.99843	10.1
94.95232	0.6
95.87872	0.6
97.09175	0.6
100.02476	1.6
101.00885	76.0
102.00957	2.1
111.00470	0.8
119.01925	100.0
120.02046	1.9
124.02459	15.0
137.02962	11.1
142.03503	86.7
142.38571	0.5
143.03647	3.3
160.04579	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	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	1.8
57.03443	0.6
60.49951	0.6
64.06823	0.5
69.56996	3.3
75.15466	0.5
76.27908	0.6
77.89047	0.6
82.01449	1.1
82.99844	12.0
83.00305	1.0
86.19385	0.5
98.20707	0.7
100.02488	1.4
101.00885	79.2
102.00983	2.5
119.01925	100.0
120.02030	2.5
124.02457	15.5
130.17932	0.7
137.02956	11.0
142.03506	77.2
143.03638	2.1
147.04468	0.7
160.04559	9.6
161.02972	1.2
161.04591	0.7
183.88036	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
54.13091	0.6
55.01877	1.6
55.05305	0.6
55.05521	7.2
57.03445	0.6
57.07070	1.4
65.03947	1.5
65.91085	0.5
67.05511	4.2
69.03421	2.8
69.07073	18.6
71.02753	0.8
77.03920	1.1
79.05502	18.4
79.05974	0.9
81.03425	0.7
81.07062	21.5
83.08630	6.0
85.02912	1.4
87.31133	0.6
89.03925	2.0
91.05489	15.8
92.02640	0.9
93.07050	41.7
94.07382	1.2
95.04992	4.9
95.08612	16.9
96.08978	0.6
103.05474	34.6
105.03407	1.2
105.04531	1.5
105.07039	14.8
106.06577	1.2
106.07265	0.7
107.04968	10.6
107.08601	100.0
108.08931	1.8
109.06537	2.8
109.10178	1.7
115.05480	2.4
117.03395	1.8
117.05753	0.5
117.07012	4.1
119.04959	0.7
119.06065	1.2
119.08600	6.2
120.05701	0.5
120.08078	0.6
121.06490	4.5
121.10151	39.3
122.10431	0.7
123.08062	0.6
123.76337	0.6
129.07101	0.8
130.06549	1.3
130.07742	2.5
131.04935	42.9
132.05318	1.0
132.08080	1.5
133.02856	4.8
133.10092	1.3
135.04422	10.8
135.08046	5.1
135.11700	16.9
136.07507	0.8
145.02829	1.5
145.06523	3.4
145.10127	8.8
148.05254	0.9
163.03918	24.0
163.05037	1.0
163.07544	20.6
163.08589	1.1
163.11174	20.5
163.12326	1.6
163.14832	36.7
164.06984	0.7
164.15193	0.6
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
51.02370	0.9
53.03952	5.5
55.01868	2.2
55.05509	10.8
57.07078	3.8
57.74960	0.5
58.28596	0.6
65.03945	1.6
67.05516	4.1
68.99804	1.6
69.03432	7.5
69.07071	26.1
69.33099	1.3
69.33511	4.2
71.05003	0.7
77.03928	2.3
79.05498	28.4
80.05829	1.0
81.03419	1.9
81.07062	10.3
83.04997	1.3
83.08620	11.0
85.02927	1.4
89.03907	3.9
91.05485	23.9
92.05794	0.9
93.03407	1.9
93.07047	42.5
95.04967	7.3
95.08611	8.4
97.02892	0.9
103.05473	72.3
104.05807	1.3
105.03399	1.8
105.04517	2.4
105.07036	25.9
106.06545	1.0
107.04230	0.7
107.04961	24.5
107.08598	100.0
108.05753	1.4
108.08799	0.8
108.09444	1.6
109.06519	3.7
109.10152	1.7
115.05465	3.0
117.03397	2.3
117.05762	0.9
117.07022	9.4
119.04948	1.6
119.06070	2.3
119.08585	14.8
120.05781	1.1
121.06538	6.8
121.10148	90.2
122.10460	1.5
123.08070	2.9
129.07040	1.0
130.06555	1.7
130.07790	4.4
131.04933	79.3
132.05278	2.2
132.08098	1.9
133.02855	5.9
133.06506	1.3
133.07610	2.1
133.10127	2.3
134.10918	0.8
135.04425	22.8
135.05377	0.8
135.08049	7.7
135.11694	37.6
136.07581	3.0
136.12019	1.0
143.08577	1.1
145.02869	1.2
145.06491	2.9
145.10129	21.4
146.06041	1.2
148.05202	1.7
148.08830	1.9
148.12448	0.9
160.64909	0.7
163.03908	48.7
163.07547	32.4
163.11191	57.2
163.12312	2.0
163.14824	29.1
164.04234	1.3
164.06989	1.0
164.11562	0.9
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
51.02375	0.8
53.03949	8.1
55.01876	4.9
55.05516	12.5
57.03438	2.3
57.07071	2.6
61.02923	1.3
65.03939	2.4
67.05515	8.0
68.99805	0.8
69.03435	11.0
69.07074	17.3
71.05003	1.4
71.50366	1.1
72.08164	1.1
73.02930	0.7
77.03925	2.6
78.95252	0.5
79.05501	32.7
80.05825	0.7
80.06276	0.6
81.03416	1.8
81.06583	1.3
81.07062	20.4
83.04997	3.5
83.08642	5.4
84.08147	0.6
85.02914	4.2
89.03930	5.6
89.06004	0.6
91.05488	29.5
92.02631	1.8
93.07050	56.9
94.07371	1.0
95.04978	11.7
95.08608	16.7
97.02868	1.1
100.02491	0.6
100.09439	0.6
100.11263	2.5
103.05479	19.3
105.03426	3.3
105.04540	3.8
105.07039	22.1
106.06596	1.2
107.04221	0.7
107.04966	22.9
107.08601	100.0
108.04555	1.0
108.05757	13.0
108.08185	1.1
108.08903	1.4
109.06516	5.9
109.10167	1.8
115.05464	4.0
117.03379	4.8
117.05764	1.3
117.07012	11.1
118.06580	0.9
119.04964	2.2
119.06087	2.4
119.08594	12.1
119.09377	0.6
120.08147	1.0
120.09354	0.5
121.06516	10.9
121.10151	43.9
122.10455	1.0
123.08069	1.6
129.07031	1.0
130.06606	3.9
130.07777	6.8
131.04935	17.4
132.05215	0.6
132.08090	4.2
132.12769	1.4
133.02863	12.6
133.06479	1.9
133.07491	0.7
133.10167	1.5
133.53609	0.5
135.04434	21.0
135.05402	0.9
135.08069	12.9
135.11696	18.7
136.04802	0.7
136.07585	15.2
136.08551	1.1
143.08586	1.6
145.02850	3.8
145.03976	1.4
145.06493	4.0
145.10136	24.1
146.10535	0.6
147.08134	1.0
148.08815	3.2
163.03922	67.7
163.07542	20.4
163.08763	2.0
163.11186	62.4
163.14827	33.3
163.41090	0.6
164.04305	1.8
164.06998	3.9
164.11633	1.4
164.15187	0.8
173.59219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
52.71548	0.7
53.03947	5.5
55.01873	5.2
55.05516	7.0
57.03437	1.2
58.18751	0.9
65.03932	1.3
67.05506	5.9
69.03429	11.6
69.07072	6.5
70.76086	1.7
70.76435	1.4
71.04981	2.3
77.03912	1.0
79.05499	28.4
81.03408	1.1
81.07062	15.9
83.04990	1.9
85.02888	1.1
89.03925	4.5
91.05487	21.5
92.02630	1.4
92.05820	1.2
93.07049	49.8
95.04969	9.8
95.08612	5.3
97.06527	0.8
98.20764	0.9
103.05475	19.4
105.03399	1.9
105.04522	3.0
105.07037	32.8
106.06563	1.8
107.04965	13.3
107.06092	0.9
107.08598	55.0
108.08886	1.3
109.06540	4.2
115.05459	3.2
117.03382	3.4
117.05758	1.4
117.07023	12.0
119.04945	1.0
119.06091	0.9
119.08583	15.3
120.08111	0.8
121.06522	11.5
121.09330	1.6
121.10150	24.1
123.08091	1.0
129.06990	0.9
130.06534	1.8
130.07799	7.0
131.04929	17.9
132.08081	2.3
133.02853	8.0
133.06491	3.3
133.07434	1.0
135.04422	13.7
135.08063	9.0
135.11711	14.1
136.07588	2.1
143.08554	2.7
145.02861	3.5
145.03960	1.4
145.06470	3.4
145.10126	32.9
147.08060	1.4
148.08833	5.8
163.03920	45.4
163.07550	16.4
163.11189	100.0
163.14798	6.7
164.07066	1.6
164.11557	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03951	4.2
53.23678	0.6
55.01870	1.2
55.05518	3.5
65.03950	0.6
67.05511	1.7
69.03433	17.6
69.07071	1.5
70.62844	1.7
71.04986	2.1
72.69066	0.7
77.03920	1.3
79.05497	9.4
81.07056	4.2
83.04990	0.9
89.03931	1.3
91.05484	15.2
92.02599	0.9
93.07049	70.0
94.07331	1.4
95.04984	4.4
95.08611	1.3
103.05476	5.2
105.04530	1.3
105.07040	13.6
107.04970	4.6
107.08601	24.0
109.06507	0.9
114.05907	0.7
115.05462	1.2
116.06196	0.6
117.03402	1.3
117.07024	6.3
117.92071	0.6
119.04939	0.6
119.08593	6.4
121.06515	4.2
121.10150	5.3
129.07028	1.1
130.07773	5.1
131.04927	5.2
133.02841	2.4
133.06546	1.0
133.21149	0.8
135.04427	4.2
135.08032	2.0
135.11699	10.8
136.07593	1.2
143.08569	1.9
145.02829	0.8
145.06490	1.6
145.10130	33.4
146.10493	0.7
148.08833	1.0
163.03914	15.7
163.07545	4.4
163.11192	100.0
164.04256	0.6
164.07114	1.8
164.11557	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.68544	0.8
53.03952	6.3
55.01867	3.6
55.05512	8.1
57.03443	1.4
58.87692	0.8
65.03930	1.8
67.05499	3.4
69.03434	12.3
69.07062	5.8
71.05000	4.0
71.49062	1.1
72.72243	1.0
77.03938	2.6
79.05497	18.3
79.05922	0.7
81.03421	1.8
81.07065	11.2
83.04986	1.4
83.08612	1.3
85.02906	1.1
89.03916	5.5
91.05484	23.3
92.02592	1.4
93.03423	1.1
93.07051	58.4
94.07368	1.3
95.04987	6.6
95.08599	5.3
103.05465	23.6
105.03402	1.4
105.04521	2.3
105.07038	27.5
106.06544	0.9
107.04966	18.9
107.08602	46.1
108.05748	9.4
109.06522	3.0
115.05465	2.4
117.03389	3.9
117.07017	10.7
119.04919	1.4
119.08588	16.1
121.06520	13.1
121.09324	1.5
121.10158	21.2
123.08042	1.1
128.06175	1.0
130.06648	1.6
130.07779	7.9
131.04933	26.5
132.05270	1.0
132.08089	2.9
133.02881	7.0
133.06453	1.3
135.04427	14.7
135.08063	7.2
135.11691	12.8
136.07533	1.0
141.51201	0.9
143.08585	2.9
145.02864	2.5
145.06505	5.2
145.10129	43.0
146.10475	1.0
148.08804	3.7
163.03920	33.1
163.05254	1.9
163.07555	13.6
163.11188	100.0
163.14832	7.3
164.04343	1.2
164.07048	1.7
164.11534	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	163.112
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.63927	0.7
51.02374	0.8
53.03943	5.7
55.01864	3.0
55.05515	5.4
57.03425	0.9
57.07061	1.9
61.81435	0.8
65.03928	3.0
67.05521	3.7
68.99795	7.9
69.03434	8.6
69.07069	3.6
69.26360	0.6
69.26791	0.7
69.55339	2.3
69.55761	2.9
69.62260	0.8
71.05004	1.0
77.03915	1.6
79.05503	22.3
81.03416	1.7
81.07049	4.9
83.04987	2.3
83.08604	1.0
84.08132	1.0
85.02903	2.0
89.03918	4.2
91.05492	25.9
92.02616	1.7
93.07053	43.7
95.04987	9.3
95.08611	3.8
103.05478	50.3
105.03390	2.8
105.04527	3.6
105.07039	23.2
106.06564	2.1
106.07287	0.9
107.04966	16.6
107.08605	81.5
108.08164	1.4
108.08885	1.4
109.06519	3.4
115.05446	3.2
116.06286	0.8
117.03395	2.8
117.07037	10.6
118.06574	0.9
119.04955	1.6
119.06062	1.8
119.08591	12.7
120.02118	0.9
120.08152	1.1
120.09347	2.8
121.06506	7.5
121.09394	1.1
121.10154	22.0
123.08124	1.3
130.06540	2.2
130.07822	5.7
131.04942	55.3
132.05315	1.4
132.08086	3.0
132.12787	1.8
133.02873	8.8
133.06523	0.8
133.10141	1.0
135.04427	19.3
135.06366	1.4
135.08052	7.5
135.11700	62.4
136.07553	3.7
136.12012	1.2
145.02806	1.8
145.06511	3.1
145.10133	17.0
146.06000	1.0
148.08791	1.1
163.03922	100.0
163.07547	23.2
163.08679	1.5
163.11182	41.4
163.14883	2.9
164.04309	2.0
164.07130	2.5
164.11613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.3
53.03954	6.3
55.01864	2.4
55.05522	4.6
57.03420	1.5
57.07070	0.9
61.02919	0.7
65.03947	3.0
67.05489	2.1
68.99793	8.7
69.03435	7.5
69.07077	3.9
71.50906	1.1
77.03925	2.4
79.05495	18.6
80.05019	1.1
81.03435	1.7
81.07053	5.5
83.04967	1.2
83.08602	1.2
84.08151	0.9
85.02914	2.8
89.03916	4.1
91.05488	24.3
92.02618	1.4
93.07051	37.2
94.07378	0.9
95.04968	8.7
95.08601	2.4
101.38955	0.7
103.05476	51.2
104.05779	1.6
105.03412	1.8
105.04520	3.2
105.06319	1.0
105.07036	19.5
106.06618	1.1
106.07319	1.4
107.04967	16.6
107.08601	66.3
108.08188	0.8
108.08906	0.9
109.06522	3.0
111.04435	1.3
111.10442	0.8
115.05500	1.8
117.03384	2.2
117.05755	1.5
117.07028	8.5
118.06541	0.7
119.04942	1.2
119.06039	1.3
119.07795	1.2
119.08583	11.2
120.09353	2.1
121.06512	6.2
121.09292	1.2
121.10139	18.0
123.08110	1.3
129.07031	1.2
130.06544	2.6
130.07799	5.5
131.04938	57.6
132.05266	1.7
132.08124	2.5
132.12778	1.2
133.02881	7.6
133.10097	1.1
135.04427	17.2
135.06450	1.1
135.08060	7.3
135.11700	54.6
136.07565	3.0
136.12027	1.5
143.08548	1.5
145.02844	2.1
145.03923	1.0
145.06485	2.8
145.10136	17.8
148.05045	0.8
148.08850	1.1
154.07002	0.7
159.22159	0.7
163.03922	100.0
163.07552	23.3
163.11180	37.4
163.14856	2.8
164.04288	2.6
164.07080	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24820	0.7
51.02371	1.7
53.03948	9.7
55.01862	3.5
55.05507	5.6
57.03428	0.9
65.03938	2.3
67.05518	4.3
69.03432	16.9
69.07076	5.9
69.40562	3.3
69.40994	3.0
71.04980	2.7
72.08157	1.0
77.03932	1.8
79.05495	25.6
81.03403	2.7
81.07060	13.0
83.04977	3.1
83.08604	2.1
84.08134	1.0
85.02888	1.4
89.03926	5.8
91.05484	29.6
92.02615	2.2
92.05820	0.9
93.07047	59.8
94.07391	1.1
95.04980	14.6
95.08611	5.6
97.02896	1.7
103.05470	58.3
105.03387	3.5
105.04514	5.8
105.07034	28.8
105.07568	0.5
106.06541	2.2
106.07285	1.2
107.04961	23.1
107.08596	45.9
109.06496	1.7
115.05511	4.0
116.06232	0.8
117.03375	2.9
117.05780	1.6
117.07025	14.7
119.04939	2.8
119.06036	1.0
119.08588	14.5
120.28996	0.8
121.06515	15.8
121.09328	1.7
121.10152	23.0
122.05912	0.9
123.08067	1.9
123.62927	0.8
129.06998	1.4
130.06512	3.5
130.07782	9.0
131.04933	62.1
132.05330	1.1
132.08128	4.4
132.12796	0.8
133.02866	15.5
133.06476	3.0
133.07478	0.9
133.10124	1.3
135.04425	27.1
135.08054	14.4
135.10725	1.0
135.11699	18.0
136.07582	1.4
143.08563	2.4
145.02840	3.4
145.03879	0.9
145.06488	7.2
145.10129	45.1
146.10452	1.5
148.05290	1.1
148.08806	2.6
163.03912	83.5
163.07544	42.0
163.11188	100.0
163.14842	7.7
164.04311	2.2
164.07013	2.1
164.11664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02375	0.8
53.03948	2.4
54.55045	0.3
55.01869	1.1
55.05511	1.0
55.25848	0.3
57.03426	0.6
57.13907	0.4
63.02376	0.4
65.03957	0.6
67.05502	0.8
68.99801	0.7
69.03426	1.6
69.07085	0.6
71.04980	0.5
71.50080	0.5
77.03914	1.8
79.05495	5.9
79.05913	0.5
81.03397	0.8
81.07068	1.0
83.08619	0.4
84.08109	0.5
85.02898	2.6
89.03924	9.7
91.05483	6.5
92.04979	0.4
93.07054	2.9
94.06596	0.6
95.04976	3.7
95.08598	0.4
97.02906	0.6
102.04689	0.5
103.05476	80.3
104.05814	1.6
105.03429	0.7
105.04524	1.5
105.07027	3.3
106.06544	0.8
107.04967	12.9
107.08597	4.8
108.08116	0.4
115.05479	0.9
117.03384	8.4
117.05701	1.1
117.07057	2.6
118.06567	0.8
119.04962	1.6
119.08606	1.8
120.04436	0.8
121.06510	3.3
121.10161	2.5
122.06026	2.6
122.06785	0.4
130.06532	1.4
130.07858	0.6
130.78862	0.4
131.04939	100.0
132.05247	2.2
132.08127	1.2
132.12813	0.8
133.02866	3.4
133.06581	0.4
135.04431	23.9
135.08022	4.3
135.08891	0.4
135.11694	1.4
136.07579	1.2
145.02872	4.3
145.03934	0.5
145.06516	0.9
145.10187	2.2
146.06026	2.4
147.04385	0.6
153.01901	0.6
154.02142	0.5
163.03920	37.2
163.07549	44.8
163.11134	5.1
163.12326	0.9
163.14847	0.6
164.04349	0.5
164.07089	1.9
164.08223	0.6
170.22148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03960	3.1
62.10049	0.6
63.02386	2.4
69.03444	0.7
69.56527	0.8
71.17014	1.4
72.08141	0.7
77.03928	1.0
79.05500	11.4
85.02917	1.1
89.03930	70.5
90.04254	1.1
91.05490	2.6
95.04980	3.7
103.05480	18.2
105.04536	1.6
107.04968	17.4
107.08572	0.9
108.86154	0.6
109.63908	0.6
117.03397	67.2
118.03708	1.1
125.82764	0.7
131.04951	18.7
131.05957	1.1
133.02864	0.9
135.04434	100.0
135.08041	1.6
136.04755	1.6
142.16824	0.7
145.02872	47.2
145.03937	2.7
145.10130	1.2
146.03212	1.0
163.03928	91.5
163.07536	5.6
163.11220	2.0
164.04247	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	162.0548
Annotation	Jineol
Peak:m/z	Relative Intensity
53.03942	0.6
55.01857	0.4
56.96572	2.0
57.03437	0.5
58.99545	0.3
60.95852	0.5
65.03929	0.4
65.53072	0.3
67.05498	0.4
68.05006	0.6
69.03426	0.9
69.07070	2.8
70.06586	0.8
70.41703	1.1
73.02901	0.3
74.06072	1.0
79.05493	1.1
79.93849	0.3
80.05028	0.5
81.03410	0.5
83.56579	0.3
84.04512	3.0
85.02903	1.0
85.28720	0.3
86.09712	2.2
89.03931	1.7
90.78881	0.3
91.05479	0.6
92.05021	0.4
97.02897	1.0
98.06077	2.2
98.97585	5.4
99.04458	0.3
102.00978	0.7
102.05548	0.7
102.96880	3.0
103.05468	0.9
105.07048	0.5
106.06578	2.4
107.04977	1.9
110.01262	0.3
111.02117	0.3
112.04573	0.3
115.07766	0.3
116.04961	0.7
116.07113	0.7
116.98622	1.2
117.03387	1.2
118.06525	1.0
119.01826	0.7
120.02018	0.9
120.04469	2.2
120.08109	1.2
120.96551	0.7
120.97926	1.9
121.00838	0.3
121.01656	0.5
127.03888	0.5
128.01384	0.3
128.02309	0.9
131.04921	0.9
133.02870	0.8
133.07602	0.5
134.05005	0.4
134.06024	6.7
134.09633	0.4
135.04433	3.2
137.02289	0.3
138.98911	0.6
144.04486	0.4
144.06564	1.3
145.02898	0.7
145.07680	0.6
158.99672	3.0
162.05511	100.0
162.09027	2.5
163.01785	0.3
163.03923	4.2
163.06007	1.7
163.07439	0.6
163.08672	4.5
177.00749	1.1
183.33318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03943	0.7
55.01849	0.6
55.05517	5.9
61.05972	0.5
63.01925	0.4
69.03414	0.4
69.07066	3.1
71.10332	0.9
77.03891	0.6
79.05505	2.8
81.07043	1.3
82.28191	0.5
91.05481	8.7
93.07043	1.6
97.02926	0.4
103.05461	1.9
104.06281	0.8
105.07033	21.4
107.08596	1.6
111.42654	0.4
115.05452	2.3
117.07022	3.1
119.08584	100.0
120.08921	1.8
121.10139	2.8
121.67024	0.4
128.06224	0.8
131.08574	1.8
133.06509	2.9
133.10132	19.7
143.08537	0.8
146.07251	0.9
146.10886	0.9
159.11681	1.1
161.05959	1.9
161.09627	4.3
161.13269	20.4
161.36220	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.4
53.03947	1.0
55.01875	2.4
55.05519	2.0
58.52631	0.4
65.03940	0.5
67.05510	1.1
68.05574	0.3
69.03435	12.6
69.07071	0.8
69.86650	2.0
74.06064	0.4
79.05499	4.7
79.72807	0.3
81.03423	0.4
81.07053	2.3
91.05486	14.1
93.07046	4.1
95.04964	0.5
97.02919	0.4
98.06096	0.6
98.21566	0.4
103.05474	2.9
105.03396	0.8
105.07040	50.6
106.07386	1.1
107.04961	1.8
107.08596	0.9
113.02386	0.5
115.05474	3.7
116.06271	0.5
117.07033	3.8
118.04184	1.0
118.07818	0.8
119.04939	1.9
119.08593	12.6
121.06512	5.1
128.06229	11.1
128.07141	0.7
131.04951	2.3
131.08594	4.4
132.05707	1.4
133.06514	4.3
133.10144	24.8
134.10454	0.8
143.08572	15.5
145.06497	5.0
146.07280	13.5
146.10454	0.7
155.06046	1.2
159.08093	1.2
161.06088	1.7
161.09630	100.0
161.13258	6.7
162.05507	1.0
162.10052	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03947	1.3
55.05518	9.5
56.79494	0.4
65.03947	0.9
67.05511	5.5
69.03430	0.8
69.07073	9.8
71.51340	0.7
73.02906	0.4
74.06088	0.7
78.93122	0.8
79.05498	9.8
81.06589	1.1
81.07060	13.9
83.08617	0.8
87.37491	0.5
91.05488	43.5
91.84062	0.5
92.05829	0.6
93.07051	11.3
95.04976	1.2
95.08623	3.7
98.06031	0.8
102.05534	0.5
103.05451	3.1
104.06239	1.4
105.07039	90.3
106.07386	1.7
107.08603	4.3
108.74950	0.5
115.05466	1.7
117.07030	15.6
117.07862	1.0
118.06561	0.7
119.08588	100.0
119.95761	0.5
120.08949	1.8
121.10130	1.6
128.06207	1.2
129.06995	0.6
131.08571	6.9
132.09360	4.4
133.06483	2.2
133.10141	45.3
134.10490	0.9
143.08615	1.0
145.10100	0.7
146.07281	0.9
146.10919	1.4
159.11732	2.7
161.05966	2.3
161.07170	1.2
161.09630	6.1
161.13264	79.3
162.05501	1.9
162.09125	0.6
162.13626	1.5
171.71756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01884	2.9
55.05509	2.7
66.04681	0.5
67.05508	2.1
69.03432	12.1
69.07078	1.4
71.02454	0.8
71.02782	0.5
71.78194	0.4
74.06068	0.6
77.03942	0.7
79.05492	7.3
81.07063	4.9
84.79045	0.5
85.02901	0.6
89.03902	0.6
91.05487	17.1
92.02615	0.5
92.05822	0.6
93.07050	5.2
95.04973	1.2
97.02865	0.6
101.95035	0.6
103.05473	5.1
105.03364	0.7
105.07036	70.0
106.06673	0.6
106.07380	1.7
107.04960	2.4
107.08607	1.4
115.05453	6.6
116.06255	0.9
117.07013	5.0
118.04168	2.1
118.07818	1.3
119.04937	3.7
119.08589	24.5
120.08136	0.6
120.08961	0.5
121.06513	5.2
128.06230	11.4
129.07001	0.6
131.04947	2.9
131.08575	4.7
132.05705	2.0
132.80930	0.5
133.06508	10.8
133.10141	30.0
141.07042	0.5
143.04865	0.7
143.06035	0.8
143.08562	14.0
145.06490	6.5
146.03648	1.0
146.07281	15.4
146.08432	0.9
147.07564	0.7
155.06050	0.6
159.08038	1.6
161.06042	5.9
161.09624	100.0
161.13257	16.2
162.05513	1.2
162.09959	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02370	0.7
53.03946	2.6
55.01878	5.4
55.05502	0.7
57.03436	0.4
64.80353	0.4
65.03931	0.7
66.04723	0.8
67.05492	0.6
69.03428	1.3
69.07075	0.6
70.00959	1.3
74.06101	0.4
77.02104	0.3
77.03921	1.3
79.05497	20.0
80.05861	0.3
81.07063	0.8
84.04495	0.5
85.02921	0.5
89.03931	1.1
90.04697	3.7
91.05489	6.8
92.02618	0.5
93.07031	0.6
95.04987	2.6
97.02893	0.8
98.20829	0.5
102.04697	0.5
103.05473	22.8
104.05779	0.5
105.04521	1.5
105.07036	100.0
106.07357	1.9
107.04950	1.4
113.02432	0.5
115.05459	30.1
115.21340	0.4
117.07018	1.0
118.04169	16.8
118.07792	0.4
119.08588	10.9
121.06432	0.5
121.10133	0.5
128.06233	1.1
131.04936	4.8
131.08594	1.3
132.05707	1.1
133.06502	45.4
133.10126	6.6
134.06885	0.6
143.04933	0.6
143.06055	6.3
143.08531	2.4
146.03664	0.9
146.07288	1.4
161.05994	9.9
161.07245	0.9
161.09613	10.1
161.10919	0.5
161.13252	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	161.0599
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03952	3.9
55.01881	5.0
66.04721	1.9
70.95982	1.5
77.03945	1.1
77.61666	0.7
79.05499	20.8
88.65067	0.6
90.04708	3.9
91.05484	5.4
92.02625	1.3
95.04986	3.7
102.04627	0.7
103.05475	25.1
104.05818	0.7
105.07038	100.0
106.07373	2.6
107.04932	1.3
115.05463	30.8
116.05791	1.1
117.55334	0.6
118.04169	20.8
119.01923	0.7
119.08580	1.8
122.43457	0.6
128.06213	0.7
131.04936	4.6
132.05733	1.0
133.06500	47.5
133.10156	2.2
134.06859	0.8
143.05052	1.0
143.06055	6.4
143.08693	0.8
161.05980	11.2
161.07248	0.8
161.09607	3.0
161.13329	1.1
162.05466	0.7
175.61009	0.7
183.59508	0.7
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
58.99867	0.2
70.11780	0.5
70.12166	0.4
73.74351	0.2
73.74811	0.2
82.99850	6.4
83.99920	0.3
98.21419	0.3
98.97599	0.7
100.97199	0.4
101.00891	51.2
101.95045	0.2
102.00949	2.2
102.96878	0.6
103.00661	0.3
111.00452	0.5
116.98608	0.3
119.01931	100.0
120.02010	3.8
121.01609	0.2
121.02391	0.4
124.02495	0.4
136.48367	0.2
137.02969	15.8
138.03076	0.6
142.03514	1.1
143.01945	0.4
143.03732	0.9
144.03246	0.2
161.02960	5.6
161.04160	0.3
162.04289	0.2
179.04028	4.5
179.05618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71078	0.6
53.03947	1.4
55.01873	3.2
55.05506	2.9
56.05033	3.3
56.17091	0.6
56.96568	11.6
57.03442	7.4
58.06582	1.2
58.99857	1.2
59.04999	1.7
60.08159	0.7
60.95848	1.1
61.02930	4.8
67.02161	0.7
69.03429	7.4
70.06583	1.2
70.98125	1.0
70.99860	2.2
71.02996	1.0
71.04998	1.7
71.95247	0.7
72.04508	0.7
72.08150	4.9
73.02918	6.4
73.08480	1.5
74.00232	0.8
74.06078	2.9
75.01066	0.7
75.04484	0.6
77.00912	1.1
78.52970	0.9
79.02187	0.8
79.05547	0.8
81.03423	4.3
81.07074	0.9
82.01440	1.2
82.34016	0.6
82.99836	4.4
83.00798	1.6
83.01336	0.6
83.04989	1.0
84.04509	26.3
84.08158	3.6
84.96014	1.4
85.01431	0.9
85.02911	10.6
85.06555	2.0
87.01907	0.7
87.04453	1.2
88.02671	1.4
88.47226	0.6
89.00833	1.5
90.01593	0.8
91.00539	0.7
93.01922	2.1
94.02679	1.3
96.01560	0.7
96.02425	1.4
97.01427	0.7
97.02892	11.0
98.01272	0.7
98.03266	0.7
98.03964	0.7
98.06062	3.1
98.20760	1.8
98.97585	12.9
99.04453	1.0
100.02518	2.1
101.00887	44.2
101.02393	2.4
101.06007	1.4
102.00980	2.1
102.02402	2.8
102.05537	2.7
102.06325	1.0
102.96877	1.4
103.00656	1.2
103.02458	3.2
103.03947	2.3
103.05466	0.7
104.01311	0.7
105.03395	0.7
105.07028	2.6
106.79937	0.7
107.03426	0.7
108.02354	1.0
109.02880	1.5
110.01259	2.2
110.02125	0.9
110.97581	5.3
111.02932	2.5
112.01043	1.5
112.99148	1.4
113.00879	1.9
113.02348	3.4
114.02402	1.0
114.04185	0.9
115.02444	4.4
115.03962	1.3
115.08680	2.6
115.09478	1.4
116.07110	5.9
116.10696	0.9
116.98638	4.1
117.02110	1.1
117.02917	1.1
117.07013	0.7
118.03506	1.0
119.01920	100.0
119.08564	1.0
120.02015	3.9
120.03416	0.7
120.04211	0.7
120.06620	1.4
120.97967	1.0
121.01627	2.2
122.01271	0.8
123.02951	0.8
127.02450	1.0
127.03952	0.9
128.02324	1.2
128.06262	0.7
128.98654	3.2
129.01939	1.5
129.04005	2.5
130.05003	2.5
131.00182	1.2
131.01889	4.7
131.02664	0.6
133.01732	0.9
133.03462	5.3
133.06525	1.7
134.06042	0.8
134.99663	1.0
135.03076	0.6
137.02960	18.7
139.02455	1.2
140.98657	0.6
141.04004	0.7
142.03523	2.2
143.00194	1.5
143.01900	14.1
143.03596	1.4
144.02162	0.7
144.06564	8.3
144.10219	2.7
144.98119	0.7
145.03490	2.1
146.03629	0.8
146.99640	1.4
147.03218	1.3
147.05052	5.8
149.02939	1.1
152.04953	0.8
155.01852	1.2
157.03455	6.6
158.03616	1.1
158.99695	2.1
159.03214	1.3
159.05013	3.3
161.02960	20.0
161.04333	1.1
161.05733	1.2
161.07108	0.7
161.09821	1.8
161.13680	1.0
162.03038	0.8
162.05533	2.6
162.07610	0.7
162.09145	0.8
162.11281	2.3
165.06116	0.9
171.04997	0.7
173.03023	2.3
175.04547	1.1
177.00749	1.6
177.02402	1.0
177.04483	0.7
177.06134	1.8
179.04021	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	159.1169
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.02249	0.5
53.03941	0.8
55.05508	0.7
61.30440	0.4
65.03961	0.5
67.05506	2.9
70.06580	0.7
70.79547	0.6
70.79866	0.9
76.93370	1.4
79.05503	1.8
81.07049	0.7
91.05484	17.5
93.07044	0.4
94.94427	0.6
100.35619	0.4
100.36873	0.4
103.05470	1.4
105.07030	20.6
113.02352	0.7
113.07970	0.4
115.05442	5.8
116.06251	2.7
117.07016	34.8
117.95984	1.6
118.07309	0.7
119.08583	10.8
128.06256	1.6
129.07011	19.5
130.07796	20.5
131.08571	86.2
132.08914	1.9
134.76204	0.4
141.01817	1.2
142.07732	2.1
143.08548	2.1
144.09346	22.6
157.10161	4.5
159.11694	100.0
160.12041	2.9
162.31956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0813
Annotation	UNII-218WD6K9H0
Peak:m/z	Relative Intensity
55.01889	0.5
56.05031	0.4
56.96564	2.9
57.03439	1.4
58.06606	0.2
59.05004	0.2
65.31995	0.2
66.28621	0.2
67.05512	0.2
68.05031	0.7
69.03426	0.9
69.07059	0.2
69.49880	0.5
69.50288	1.0
70.04082	0.8
70.06592	100.0
70.98119	0.5
71.05003	0.3
71.06928	0.7
72.04516	0.3
73.02922	0.4
81.03426	0.5
84.04505	0.6
84.08147	2.4
85.02901	0.7
86.06057	0.7
87.04487	0.3
90.17039	0.2
94.06551	0.4
94.20360	0.2
96.01543	0.5
96.04453	0.2
97.02905	0.7
98.06069	0.8
98.09655	0.3
98.20847	0.4
98.97581	7.0
101.00820	0.8
103.00636	0.8
104.01272	0.3
110.01273	0.8
110.97549	0.4
112.07605	34.6
113.02412	0.3
113.07944	0.6
114.05539	1.7
114.09171	0.3
116.07093	16.1
116.97271	0.4
116.98618	3.2
117.07465	0.3
119.01812	2.8
119.08694	0.2
121.01685	1.2
123.18464	0.2
127.00272	0.3
128.02309	0.7
128.98618	0.4
130.06514	0.2
130.08626	0.3
131.00137	0.3
131.01955	0.3
134.03578	0.4
134.99634	0.8
135.03169	0.8
139.02730	0.3
140.07077	1.6
140.10757	0.3
144.03284	0.5
158.05626	0.4
158.08122	4.3
158.09506	2.0
158.11736	0.8
158.15436	0.6
158.43585	0.3
161.03093	0.2
161.61154	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	159.1171
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.91061	0.4
53.03922	0.3
56.96555	0.5
57.03441	0.4
60.50145	0.4
65.03938	0.5
67.05511	3.3
67.19628	0.4
69.67197	2.2
70.06580	1.7
71.06911	1.2
76.93375	2.1
79.05490	1.2
79.98658	0.4
81.07043	1.4
82.37267	0.4
87.00810	0.9
91.05490	7.5
93.07032	0.5
95.04964	0.4
98.97596	1.4
103.05475	1.1
105.07037	24.4
113.02382	1.1
113.07958	0.5
115.05467	3.2
116.06231	1.7
117.01913	0.6
117.07024	18.0
117.96001	2.5
118.54787	0.4
119.08589	9.5
128.06253	1.3
129.07013	14.3
130.07793	6.8
131.08578	39.0
132.08939	0.9
135.97064	0.5
141.01831	3.8
141.06976	0.6
142.07773	1.9
143.08577	1.5
144.05670	0.7
144.09355	25.7
145.09619	0.6
157.10146	5.0
159.08131	3.9
159.11699	100.0
160.12117	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	158.0813
Annotation	UNII-218WD6K9H0
Peak:m/z	Relative Intensity
53.29646	0.3
56.09188	0.3
56.96571	0.4
57.07068	0.3
64.22366	0.3
65.24501	0.3
68.05046	0.3
70.06596	100.0
70.82436	0.7
71.06931	0.6
72.08157	0.3
76.93402	0.3
84.04539	0.4
84.08160	0.3
89.31303	0.4
91.05517	0.5
98.06054	0.6
98.97575	2.8
100.07689	0.4
103.05459	0.3
112.07610	33.0
113.08004	0.4
116.07098	17.0
116.97257	0.9
116.98640	1.2
117.07520	0.4
123.72217	0.3
130.06537	0.6
131.08598	0.8
140.07051	1.4
140.10818	0.3
143.08322	0.3
158.00099	0.8
158.08182	2.0
158.09703	3.5
158.11742	0.3
158.15450	0.8
159.11635	0.6
173.83900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0814
Annotation	UNII-218WD6K9H0
Peak:m/z	Relative Intensity
55.41673	0.2
56.96561	0.5
57.93552	0.2
70.06596	100.0
70.75688	0.2
70.76068	0.4
71.06933	0.8
98.97589	5.4
98.98212	0.4
103.18695	0.2
112.07613	29.6
113.07960	0.3
116.07100	14.4
116.97233	0.8
116.98617	1.8
134.99655	0.3
137.66675	0.2
140.07069	0.8
158.08134	2.2
158.09491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1021
Annotation	Scopoline
Peak:m/z	Relative Intensity
53.03944	1.1
53.31310	1.0
55.01863	1.6
55.05503	4.4
55.93518	3.2
56.94298	1.5
57.03429	4.0
63.45018	1.0
67.05502	3.9
68.05032	1.5
69.03423	2.6
69.07072	8.9
70.06590	1.6
70.95869	61.7
71.04994	1.4
71.50756	1.1
72.08147	1.0
72.93792	44.5
72.94205	2.1
73.02910	0.9
73.93835	1.5
74.93815	2.8
79.05498	3.1
80.05019	1.3
81.05792	1.6
81.07056	3.1
82.02929	1.1
82.06590	9.2
83.04963	2.1
83.08644	1.9
84.04494	4.5
86.00638	1.3
86.09702	4.5
88.96924	7.9
90.94851	7.0
91.05476	3.5
93.07051	8.1
95.04968	1.0
95.07352	3.1
95.08617	5.7
96.04488	16.0
96.08139	10.0
97.05279	17.7
97.06539	7.4
98.06071	1.8
98.06710	0.9
98.09705	1.7
100.07613	7.3
103.05484	1.0
108.08137	2.6
108.55549	0.9
109.06516	3.9
110.02413	3.9
110.05295	2.0
110.06049	37.3
110.07230	2.5
110.09688	16.3
111.04460	0.9
111.08071	4.1
111.98489	24.2
111.99258	1.6
113.96394	2.6
114.09184	1.4
114.94812	2.9
114.96427	1.0
115.05465	3.7
115.96433	1.6
120.08119	4.0
121.06521	1.8
123.06784	1.8
125.08392	10.4
126.09164	40.5
128.07071	1.4
129.24396	1.0
129.99504	5.8
130.06514	2.4
132.95842	100.0
138.05524	2.1
138.09145	65.5
139.07600	1.0
141.07027	1.6
142.07826	1.4
150.96896	78.9
155.97438	7.0
156.06554	3.9
156.08235	2.3
156.10220	50.8
173.98517	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	155.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
54.93835	3.8
55.01875	1.4
55.05515	8.8
55.93527	2.3
56.96572	28.3
57.03441	3.1
58.99873	1.2
60.95857	0.6
61.02929	1.7
62.80533	0.5
65.03936	2.1
67.05499	2.4
69.03436	5.3
69.90426	0.5
69.96182	34.0
70.26267	1.7
70.95874	19.6
70.98112	1.1
70.99869	0.7
71.04995	1.0
71.44623	0.5
71.93735	0.8
71.94109	12.4
72.93794	25.2
72.94867	0.7
73.02921	3.8
73.06563	7.9
74.00267	0.7
79.05499	0.7
81.01023	0.7
81.03420	3.7
81.07051	1.9
82.01447	1.6
83.00786	1.1
83.02646	0.7
83.04980	2.3
83.06070	0.6
83.07294	0.7
84.08173	0.8
84.95996	0.9
85.02901	4.0
85.06558	1.0
88.96899	2.1
89.00782	0.6
89.95147	0.7
90.94838	3.5
91.00518	1.1
91.05468	0.6
93.03416	1.5
93.04523	0.6
94.99859	0.8
95.04963	1.9
95.06042	0.6
97.02889	5.3
98.01311	1.3
98.97592	22.1
99.04444	1.4
100.02491	2.8
101.00890	6.3
102.01557	0.7
103.02454	0.6
109.02885	2.1
109.06532	1.0
110.01305	1.6
110.03137	1.2
110.07150	4.3
110.96881	0.8
110.97569	3.5
110.98796	2.0
111.04485	3.2
111.98470	7.7
112.02817	0.7
112.07621	0.6
112.99116	0.8
113.00884	10.0
113.06005	1.3
113.95132	9.1
113.96397	8.8
114.00950	1.4
114.04163	0.6
115.02477	0.9
116.98613	5.4
118.92081	1.7
119.01910	7.9
119.97346	2.7
121.01546	0.8
125.03622	0.7
127.00713	1.7
127.03935	3.2
127.07549	1.3
128.02321	1.8
128.97823	2.5
128.98647	2.0
129.02293	2.8
129.99527	2.4
131.01921	22.7
131.96159	100.0
132.02040	2.2
132.05074	2.1
132.95839	30.4
133.01645	1.2
133.03456	1.4
136.93141	3.7
137.02267	5.0
137.05959	1.3
137.98344	1.6
138.05521	2.1
140.04710	0.8
140.98618	0.9
143.01878	1.3
144.05293	1.4
145.01762	1.0
145.03432	1.2
146.04172	0.8
146.99562	1.0
147.03293	6.0
149.02992	2.6
149.97214	65.6
150.06186	0.7
150.96901	28.1
153.05823	1.0
154.90767	3.5
154.94167	3.5
154.97746	3.8
155.00168	1.8
155.01955	3.8
155.03427	2.3
155.04584	8.0
155.07025	3.7
155.54858	0.9
155.97440	1.4
157.03427	0.7
158.99669	8.2
165.04373	2.7
167.98283	2.5
172.95258	3.3
172.98834	2.6
173.01315	1.4
173.02992	3.0
173.98534	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42911	0.6
54.93833	1.5
55.01873	1.0
55.05493	0.5
55.94611	1.3
56.96305	0.6
56.96571	10.2
57.03447	2.8
58.99872	3.3
61.02920	1.4
67.00366	0.7
68.00267	0.7
68.98282	1.0
69.03419	2.4
69.95816	0.9
69.96178	10.8
70.06605	0.6
70.94521	1.7
70.95862	1.6
70.98100	1.0
70.99850	3.5
71.34840	0.5
71.94112	3.8
72.93782	3.5
73.02920	3.5
77.00911	1.3
81.03400	1.4
82.01451	8.5
82.99842	5.5
83.00785	1.2
83.06100	1.8
84.01563	0.8
84.96015	0.8
85.01398	1.7
85.02901	2.3
85.95653	1.3
86.99312	0.7
88.02676	0.7
89.00834	1.7
92.01320	0.6
92.52701	0.8
93.04554	1.7
94.99813	3.3
95.00739	0.7
95.01329	0.7
95.04943	1.0
95.06091	1.4
96.01561	0.8
96.04477	1.1
97.01350	0.7
97.02884	1.4
98.01308	0.7
98.97592	6.8
99.04453	1.1
100.00090	0.8
100.02491	15.2
101.00887	38.0
102.00976	1.4
102.02406	0.6
103.00515	0.7
103.02460	3.2
104.01302	1.6
105.00340	1.0
109.02890	1.1
110.01307	1.2
110.07175	15.0
110.97603	1.4
111.02010	0.8
111.02909	0.7
111.04433	0.7
113.00879	39.1
113.95128	2.2
113.96410	1.3
114.00956	4.4
114.04028	2.0
114.49989	0.6
115.00647	1.2
115.02407	2.9
116.98639	1.2
117.01983	0.8
118.01158	0.9
118.03513	4.6
119.01929	63.3
120.02025	1.9
121.01579	0.8
124.02477	3.6
127.02415	1.0
127.03925	1.1
128.02325	0.7
128.98599	1.7
131.01918	100.0
131.96161	38.0
132.01961	9.6
132.05081	4.1
132.95816	3.1
133.01678	2.2
133.03470	8.7
137.00818	0.7
137.03030	7.0
138.09186	1.1
142.03514	17.5
145.03471	2.8
146.99664	1.2
147.05110	1.1
149.01215	1.3
149.01762	0.8
149.02972	9.8
149.97211	27.2
150.03203	0.8
150.06110	1.8
150.96915	2.6
151.04529	1.7
154.03511	1.9
154.90762	0.8
154.97801	1.3
155.00188	0.7
155.00536	0.8
155.01901	10.2
155.03397	1.2
155.03625	1.4
155.06984	1.0
155.08189	0.8
155.11819	0.8
156.04112	0.9
156.07732	1.0
158.99640	0.8
160.04529	2.8
167.98271	1.2
172.95262	0.6
172.98828	1.1
173.01398	0.9
173.02977	10.6
174.02945	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73708	0.4
55.05516	5.6
56.05036	0.8
56.53063	0.5
57.07079	4.4
67.05486	0.8
67.90636	0.5
68.05026	0.5
68.96353	0.6
70.06587	1.0
71.40389	1.0
72.93794	3.5
79.05514	2.2
80.02204	1.3
81.07067	7.8
82.06578	1.3
82.07378	0.9
83.04955	0.6
83.07417	0.4
83.08624	1.3
84.04535	0.5
84.08147	0.6
85.06548	0.7
90.94817	0.8
91.05479	0.7
94.93768	0.5
95.04963	0.6
95.08628	0.7
96.04507	1.3
97.05276	2.9
98.06066	3.0
98.09681	2.2
108.01688	0.9
108.08176	3.6
108.08836	0.9
109.06530	5.4
110.06078	3.8
111.04436	0.8
111.06847	4.1
111.10477	0.5
113.96420	2.0
122.03241	0.5
124.07587	0.5
125.08360	0.4
126.09149	3.5
130.96303	0.9
131.97476	0.7
136.07549	0.5
138.05547	0.8
139.06335	4.9
139.07391	0.9
140.42006	0.4
148.97375	0.5
154.02185	3.6
154.08638	100.0
155.06973	0.6
155.08914	1.6
159.61404	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.05514	6.4
56.05022	0.9
65.03931	0.5
67.05491	0.8
68.05022	0.4
68.96324	1.0
69.03420	0.7
69.07063	0.3
69.96195	0.6
70.06580	1.1
70.61134	0.7
70.94254	0.7
71.94112	2.6
72.93404	0.3
72.93792	4.8
75.73378	0.2
79.01846	0.8
79.05502	2.4
80.02193	1.6
80.05016	0.4
81.07059	8.8
82.06596	1.6
83.04989	0.5
83.07356	0.8
83.08619	1.4
84.04520	0.4
84.08138	1.2
90.94834	1.0
91.05481	1.2
93.05779	1.1
94.06626	0.3
95.04961	1.4
96.04478	0.5
96.08139	0.6
97.05283	3.6
98.03232	0.3
98.06064	3.3
98.09714	1.9
99.01686	0.2
99.04437	0.3
108.01660	0.6
108.08125	4.3
108.08880	0.4
109.06520	6.1
109.10144	0.4
109.98922	0.4
110.06047	4.6
111.06830	4.7
111.10455	0.3
112.96739	1.2
113.06073	0.4
113.96407	2.9
123.04431	0.4
124.07601	0.8
125.08368	1.0
126.02701	0.5
126.03737	0.3
126.05551	0.5
126.09161	4.0
127.27436	0.3
130.96321	1.6
131.96176	1.8
131.97411	1.1
132.12804	0.4
136.04002	0.3
136.07594	1.8
137.06010	0.4
138.05498	0.6
139.06287	5.8
140.46310	0.3
144.03751	1.0
148.97357	1.5
149.97217	1.3
152.07108	0.6
154.02174	3.9
154.03308	0.9
154.08633	100.0
155.07018	0.6
155.09052	1.8
174.04585	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01598	1.6
51.02385	6.1
51.02591	1.0
53.03948	2.6
55.01872	3.1
55.05518	10.2
57.03439	1.2
57.07075	1.3
59.05011	5.6
65.03935	3.7
67.05511	6.5
68.99791	1.8
69.03433	5.3
69.07076	16.3
70.94247	2.5
71.05003	15.5
71.52126	1.4
73.06556	10.0
79.01861	52.1
79.05502	16.9
81.07063	45.3
83.04980	4.5
83.08627	2.5
87.00827	1.1
91.05501	5.7
93.03396	2.7
93.07050	27.3
95.04975	8.0
95.08619	12.2
97.02890	9.8
97.06544	7.6
105.07040	2.8
107.01327	16.3
107.04975	1.9
107.08601	28.7
109.06532	10.6
109.10159	9.2
111.04435	4.0
111.08086	5.2
117.26431	0.8
119.08571	1.4
119.48663	0.8
121.06561	0.9
123.00791	1.9
125.02363	18.3
125.05984	3.5
125.09692	1.2
126.02700	1.0
134.47115	0.9
135.04402	1.4
135.08060	2.4
135.11714	14.4
139.49821	0.9
143.03412	31.4
145.82591	0.9
153.01836	100.0
153.02980	29.2
153.05482	2.6
153.09108	3.5
153.12753	11.5
154.02174	1.6
154.08629	1.9
162.61923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01607	1.5
51.02383	5.2
53.00312	2.0
53.03938	3.2
55.01862	4.2
55.05511	13.3
57.03454	1.9
57.07075	2.0
59.05000	7.3
65.03928	2.3
67.05508	8.7
67.59057	0.9
69.03433	6.4
69.07070	18.7
69.62759	2.8
69.63176	3.1
70.94256	2.2
71.04996	21.8
73.06561	12.2
79.01855	49.1
79.05135	0.8
79.05496	22.1
81.07056	62.6
83.04984	3.7
83.08624	2.3
85.06528	1.7
91.05483	10.2
93.03420	2.3
93.07043	30.4
95.04974	8.0
95.08604	11.8
97.02892	11.2
97.06522	8.5
105.07016	3.0
107.01322	19.3
107.04941	1.6
107.08600	39.1
108.08897	1.2
109.06509	11.6
109.10163	9.8
111.04428	3.0
111.08070	5.3
111.96857	1.2
117.24023	1.0
123.00803	2.0
125.02353	18.1
125.03169	1.8
125.05986	3.0
125.09610	1.2
135.04373	1.8
135.08058	2.3
135.11707	17.2
143.03404	32.9
153.01831	100.0
153.02971	27.1
153.05482	4.0
153.09135	4.4
153.12743	12.8
154.02232	2.5
164.61023	1.1
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
50.01598	1.4
51.02393	5.9
53.03945	2.6
55.01863	2.2
55.05502	8.2
57.03431	3.2
57.07076	2.7
59.05008	2.0
65.03937	5.4
67.05511	15.6
69.03431	4.4
69.07070	13.0
69.62757	6.8
70.01073	0.9
70.94243	1.7
71.04987	4.2
79.01408	2.3
79.01862	44.4
79.05496	15.9
81.07064	18.9
83.04984	12.5
83.08611	3.4
85.06538	1.2
91.05477	12.2
93.03396	4.5
93.07052	77.1
95.04969	5.2
95.08615	59.7
95.09086	1.2
95.09243	1.9
97.02919	8.8
97.06538	19.9
98.20755	1.4
105.04547	1.7
105.07039	3.0
107.01320	13.7
107.04941	1.1
107.08602	100.0
108.08901	1.2
109.06555	2.5
109.10166	21.3
110.03624	1.3
111.04435	4.2
111.08067	4.9
111.96858	1.3
119.08625	1.0
121.02875	9.8
123.00790	1.7
125.02376	14.5
125.05991	4.0
125.09675	1.1
135.04398	1.9
135.10696	2.2
135.11705	38.2
143.03410	29.7
153.01830	90.5
153.02972	25.7
153.05453	3.2
153.09120	3.3
153.12764	23.5
154.02136	1.3
154.05000	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	(+)-PERILLYL ALCOHOL
Peak:m/z	Relative Intensity
53.03953	1.9
55.01867	2.4
55.05512	14.1
57.03442	6.5
57.07066	2.9
59.04993	1.2
65.03954	5.8
67.05508	37.4
68.05827	0.9
69.03430	4.7
69.07072	56.2
69.56140	0.7
70.94258	4.7
70.95860	1.2
71.04991	2.8
71.51497	0.8
71.94103	2.7
71.95269	1.4
74.61072	0.8
79.01850	5.3
79.05499	34.1
80.05021	1.1
81.03407	1.0
81.07063	44.6
83.04981	8.6
83.08623	6.3
85.02914	1.0
85.06549	3.0
88.95264	1.5
91.05479	6.8
93.03415	3.4
93.07050	50.2
94.07367	1.3
95.04976	2.9
95.08615	23.2
95.30167	0.8
97.02903	2.0
97.06539	24.7
105.07003	1.8
107.01350	5.7
107.04941	2.3
107.08604	56.7
108.08892	1.5
109.06506	1.2
109.10166	37.9
110.03658	1.6
111.04500	5.5
111.08109	7.8
111.11723	1.1
111.96872	2.6
117.31952	0.7
125.02389	3.1
125.06021	5.6
125.09602	1.1
126.06333	2.2
135.04414	2.3
135.11703	100.0
136.03932	1.2
136.07547	0.8
136.12029	2.4
143.03401	2.5
153.01869	11.0
153.02954	2.1
153.05502	5.5
153.07538	4.8
153.09142	1.7
153.10214	2.4
153.12755	83.9
154.05025	2.0
154.08623	2.1
154.13142	2.1
154.15959	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	(+)-cis-p-Mentha-1(7),8-dien-2-ol
Peak:m/z	Relative Intensity
50.01579	1.7
51.02383	7.2
53.00294	1.4
53.03934	3.0
53.08166	1.0
55.01852	2.2
55.05515	36.6
59.05004	18.3
65.03939	3.2
67.05503	7.8
68.99804	1.0
69.03412	4.2
69.07072	96.5
70.07402	1.1
70.51107	3.3
70.94257	1.4
71.04981	7.0
71.94113	1.0
72.61949	0.9
73.06544	4.3
79.01859	58.6
79.05501	11.0
81.07061	23.1
83.04969	4.6
85.06551	1.1
91.05502	4.9
93.03416	2.2
93.07044	17.5
95.04962	4.0
95.08610	12.9
97.02900	10.8
97.06522	8.5
107.01315	20.3
107.04942	1.9
107.08607	19.4
109.10168	9.2
111.04431	4.0
111.08075	3.2
111.96869	1.4
119.08546	1.3
123.00837	2.6
125.02362	17.7
125.05997	2.0
135.04410	14.9
135.08057	1.7
135.11710	7.8
143.03397	31.5
153.01822	100.0
153.02965	29.1
153.05499	4.0
153.09108	1.9
153.12750	19.5
154.02151	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01587	1.7
51.02385	6.0
53.00310	1.5
53.03936	2.5
55.01879	2.9
55.05519	18.5
57.03427	1.4
57.07093	1.9
59.05001	5.3
65.03945	3.0
67.05519	10.5
68.99777	2.3
69.03432	4.7
69.07072	36.9
70.66026	3.9
70.66396	1.5
71.05001	27.3
72.15224	1.3
73.06557	13.7
79.01859	52.3
79.05495	24.1
79.50150	1.2
81.07061	67.1
83.04996	4.6
85.06584	1.5
91.05485	7.7
93.03440	2.4
93.07046	31.5
95.04979	4.6
95.08633	6.7
97.02903	10.6
97.06542	8.5
102.86685	1.5
105.07018	2.5
107.01328	21.6
107.04958	2.7
107.08607	32.7
109.06497	1.9
109.10166	9.4
111.04470	3.4
111.08103	5.7
125.02367	17.9
125.05999	3.2
135.04407	4.0
135.08061	2.4
135.11711	18.9
143.03406	28.7
153.01840	100.0
153.02985	27.7
153.05478	3.9
153.12733	12.7
154.05176	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	153.0548
Annotation	3-Methoxytropolone
Peak:m/z	Relative Intensity
50.01588	0.9
51.02380	6.8
53.03949	6.5
55.01878	8.2
55.05495	1.3
56.55319	0.9
56.96571	4.3
57.03424	1.1
65.03616	1.4
65.03944	23.4
66.04723	0.8
66.91402	0.8
67.01855	3.5
67.05496	3.6
68.32171	0.8
68.96329	1.3
68.99784	2.5
69.03425	5.3
69.07058	3.9
70.94235	2.2
70.95861	0.9
71.04977	2.5
71.24147	0.9
71.95271	0.8
74.87612	0.8
79.01859	50.5
79.05496	15.2
80.02192	0.8
81.03427	1.3
81.07070	4.9
82.04197	2.9
83.04966	3.7
84.07629	0.9
84.08124	0.9
85.02911	5.1
85.06574	0.8
91.05485	6.6
91.85564	0.8
93.03413	28.0
93.07040	5.3
94.04201	8.0
95.01317	1.2
95.04970	9.0
95.08618	1.3
97.02890	11.1
97.06538	10.8
98.97585	6.4
105.04533	0.9
107.01326	15.1
107.04961	55.1
107.08580	4.8
109.06522	2.3
109.10159	4.3
110.03688	4.6
111.04455	12.7
111.08087	1.9
111.96857	1.3
116.98617	1.9
121.02863	12.0
123.00788	1.4
125.02360	15.6
125.03255	1.1
125.06004	20.5
126.02676	0.8
130.96309	2.8
135.04419	16.4
135.08020	2.3
135.11673	1.2
136.07555	1.7
138.03120	1.1
139.03911	1.1
143.03406	32.1
148.97360	2.9
153.01828	100.0
153.02969	30.4
153.05470	72.7
153.06383	2.0
153.07339	1.4
153.09074	1.9
153.12759	2.2
154.02188	1.5
154.04874	1.2
154.08658	1.3
158.99699	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.9
51.02383	6.5
53.00315	0.9
53.03936	0.6
55.01877	3.4
55.05504	0.7
56.96573	4.3
62.11256	0.4
63.82132	0.5
65.03945	1.4
67.05508	1.1
68.96326	0.6
68.99794	0.5
69.03432	6.4
69.07078	0.8
70.65565	1.1
70.65914	0.6
70.94271	3.7
70.95872	0.7
70.98128	8.3
71.94115	4.2
79.01859	53.4
79.05494	3.6
80.02196	0.8
81.03428	0.9
81.07050	1.8
83.04977	1.1
84.08175	0.6
87.00857	0.7
88.95297	0.8
88.99175	1.9
91.05493	1.3
93.03417	1.0
93.07040	2.1
95.01376	0.4
95.04985	1.2
95.08610	0.7
97.02902	9.0
97.06553	0.9
97.99167	0.6
100.02629	0.4
104.12771	0.4
107.01323	60.7
107.04964	5.0
107.08602	2.4
108.01678	0.9
109.06508	0.8
109.10182	0.9
110.90694	0.5
111.04446	2.1
111.96889	2.9
112.96732	1.5
121.06541	0.5
123.00817	1.8
125.02358	24.3
125.05994	0.9
129.97902	0.9
130.96310	1.3
135.00800	2.2
135.04474	2.7
136.07597	0.8
143.03407	21.7
153.01851	100.0
153.02983	19.6
153.05487	2.1
154.02197	1.8
154.03377	0.7
154.08643	1.1
171.02853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	1.5
51.02380	5.8
52.44796	0.4
53.00293	0.9
55.01875	2.3
56.96572	2.8
59.79142	0.4
62.54986	0.4
65.03940	0.6
67.05503	1.3
69.03436	4.4
69.07066	1.4
70.81875	1.0
70.94260	2.4
70.95859	0.6
70.98125	6.7
71.04972	0.4
71.94099	1.4
79.01859	48.1
79.05479	1.9
80.02197	0.4
81.07059	1.0
83.04988	0.8
84.08148	2.4
88.99165	0.9
91.05470	1.0
93.03404	1.3
93.07048	1.5
95.04975	1.0
95.08617	0.7
95.23631	0.5
97.02892	8.8
97.06541	1.1
98.20889	0.5
107.01321	38.9
107.04991	2.7
107.08605	2.5
109.10168	1.4
111.04482	1.3
111.08114	0.6
111.96853	1.2
112.96708	0.7
123.00799	1.6
125.02362	18.3
125.05994	1.0
130.96367	1.3
135.00821	1.3
135.04366	0.6
135.06938	0.4
135.11758	0.4
143.03404	26.1
148.97397	0.6
153.01851	100.0
153.02982	22.4
153.05476	1.5
153.09067	0.7
153.12790	0.7
154.02188	2.1
154.08606	0.5
156.13014	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	1.0
50.57507	0.4
51.02380	5.4
53.00299	0.5
55.01872	1.1
55.05503	0.8
59.04996	1.0
67.05523	0.8
68.99797	1.0
69.03429	3.2
69.07067	1.0
69.35686	2.1
69.36112	2.2
76.85664	0.4
79.01858	56.6
79.05492	0.9
80.02170	1.2
81.07046	1.7
85.93877	0.5
87.00822	1.0
91.05463	0.5
93.07063	1.8
95.04970	1.2
95.08611	1.6
95.32639	0.5
97.02901	8.3
97.06513	1.4
98.20748	1.1
107.01324	11.6
107.08617	2.0
109.06536	0.6
109.10155	2.2
111.08059	0.7
123.00793	1.6
125.02361	16.3
135.11688	1.2
143.03401	34.2
144.03810	0.6
153.01831	100.0
153.02969	30.1
153.12761	1.9
154.02197	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.2
51.02385	6.9
53.00302	0.5
55.01878	2.4
56.96574	7.7
57.03434	2.0
61.02930	0.7
65.03922	0.6
69.03439	3.2
69.26372	2.6
69.26780	1.5
70.98122	1.1
71.95277	0.6
73.02917	1.4
79.01862	55.0
80.02181	0.8
81.03421	0.8
84.96043	1.1
85.02913	2.0
87.00850	0.9
89.00761	0.6
97.02900	10.5
98.97604	2.2
101.00902	1.8
103.00579	0.9
106.76864	0.5
107.01321	12.0
107.04957	0.5
110.97572	0.7
111.02956	0.6
111.06380	0.6
112.99108	0.6
113.00871	2.5
116.98635	0.5
117.02181	1.0
119.01907	1.5
120.01966	0.4
121.01638	0.7
123.00804	2.1
124.99046	0.6
125.02354	16.4
125.05990	0.5
125.27296	0.5
128.98622	0.7
131.01915	5.1
135.03188	0.8
136.03427	1.0
143.00261	0.9
143.03410	32.9
145.03581	0.4
146.72125	0.5
149.03008	0.8
153.01834	100.0
153.02975	30.9
153.06029	2.8
153.07413	10.2
154.02165	1.8
154.03415	1.2
154.04475	0.6
155.01802	0.7
157.03455	0.6
158.60652	0.5
161.02980	0.5
161.06602	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	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.6
51.02380	6.2
55.01866	1.6
55.05503	1.2
57.64982	0.5
59.05001	1.3
65.03923	0.6
67.05505	1.6
69.03436	2.6
69.07066	1.1
70.31768	0.6
70.63539	0.8
70.63873	1.3
70.94241	0.6
79.01856	51.7
79.05492	1.6
80.02189	0.9
81.07056	1.5
83.04973	1.4
86.12387	0.5
87.00841	1.2
91.05443	0.7
93.03396	1.1
93.07073	3.6
93.07543	0.6
95.01341	0.5
95.04954	1.0
95.08613	2.9
97.02904	9.3
97.06522	1.8
107.01308	12.7
107.08595	4.7
109.06544	0.8
109.10159	2.6
111.08067	1.3
123.00780	1.7
125.02367	14.9
125.06006	0.9
127.39936	0.5
135.04404	3.1
135.11685	1.8
143.03400	29.6
153.01822	100.0
153.02965	28.2
153.09081	0.6
153.12755	3.1
154.02118	1.4
154.03308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0708
Annotation	2-Descarboxy-cyclo-dopa
Peak:m/z	Relative Intensity
50.06602	0.2
51.02386	0.4
53.03951	0.4
55.01859	0.5
56.96568	11.0
57.03444	1.7
61.02914	0.6
65.03946	1.2
67.05493	0.6
69.03416	1.3
69.07039	0.2
69.90582	0.5
69.90971	0.5
70.98109	0.6
71.95277	1.2
73.01407	0.3
73.02909	0.9
74.00258	0.4
76.41754	0.2
79.01852	4.1
79.05489	0.9
81.03407	0.4
82.01398	0.3
83.00772	0.4
84.96038	0.8
85.01414	0.6
85.02884	1.1
89.00804	0.5
91.02422	0.3
92.05005	7.5
93.05794	1.7
94.06546	0.6
96.01552	0.3
96.08141	0.3
97.02899	1.8
98.01300	0.6
98.97587	6.6
99.97934	0.3
100.02555	0.3
101.00880	1.1
103.00481	0.3
103.02429	0.7
106.06528	1.1
107.01324	0.8
107.07323	0.3
108.08125	0.5
109.05177	0.9
110.01263	0.7
110.03540	3.9
110.06052	6.4
110.51455	0.4
110.97574	13.8
111.02907	0.4
112.00974	0.3
113.00903	0.3
115.02414	0.9
116.98641	1.2
117.02131	0.3
119.01859	1.8
119.52002	0.6
121.03465	0.3
122.06024	2.3
123.06809	0.4
124.03938	0.5
124.07583	1.1
125.02364	1.4
125.04740	0.9
128.02284	0.8
128.04585	0.8
128.52499	0.4
128.98616	10.4
129.00328	1.0
129.03987	1.2
131.01849	0.3
133.03487	0.6
134.04550	0.3
134.06038	4.1
135.03027	8.1
137.02876	0.4
138.05496	0.7
143.02042	0.3
143.02213	0.3
143.03397	2.4
146.99658	2.8
147.01378	2.3
147.03160	0.3
147.05025	1.1
152.05701	28.1
152.07063	100.0
153.01817	8.3
153.02954	2.3
153.04076	6.6
153.06209	0.3
153.07417	1.8
156.08406	0.3
158.99681	0.9
161.02962	0.3
161.06645	0.4
170.03009	0.5
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	Unknow
Peak:m/z	Relative Intensity
50.06602	0.2
51.02386	0.4
53.03951	0.4
55.01859	0.5
56.96568	11.0
57.03444	1.7
61.02914	0.6
65.03946	1.2
67.05493	0.6
69.03416	1.3
69.07039	0.2
69.90582	0.5
69.90971	0.5
70.98109	0.6
71.95277	1.2
73.01407	0.3
73.02909	0.9
74.00258	0.4
76.41754	0.2
79.01852	4.1
79.05489	0.9
81.03407	0.4
82.01398	0.3
83.00772	0.4
84.96038	0.8
85.01414	0.6
85.02884	1.1
89.00804	0.5
91.02422	0.3
92.05005	7.5
93.05794	1.7
94.06546	0.6
96.01552	0.3
96.08141	0.3
97.02899	1.8
98.01300	0.6
98.97587	6.6
99.97934	0.3
100.02555	0.3
101.00880	1.1
103.00481	0.3
103.02429	0.7
106.06528	1.1
107.01324	0.8
107.07323	0.3
108.08125	0.5
109.05177	0.9
110.01263	0.7
110.03540	3.9
110.06052	6.4
110.51455	0.4
110.97574	13.8
111.02907	0.4
112.00974	0.3
113.00903	0.3
115.02414	0.9
116.98641	1.2
117.02131	0.3
119.01859	1.8
119.52002	0.6
121.03465	0.3
122.06024	2.3
123.06809	0.4
124.03938	0.5
124.07583	1.1
125.02364	1.4
125.04740	0.9
128.02284	0.8
128.04585	0.8
128.52499	0.4
128.98616	10.4
129.00328	1.0
129.03987	1.2
131.01849	0.3
133.03487	0.6
134.04550	0.3
134.06038	4.1
135.03027	8.1
137.02876	0.4
138.05496	0.7
143.02042	0.3
143.02213	0.3
143.03397	2.4
146.99658	2.8
147.01378	2.3
147.03160	0.3
147.05025	1.1
152.05701	28.1
152.07063	100.0
153.01817	8.3
153.02954	2.3
153.04076	6.6
153.06209	0.3
153.07417	1.8
156.08406	0.3
158.99681	0.9
161.02962	0.3
161.06645	0.4
170.03009	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1483
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
52.66030	0.2
53.03958	0.6
55.05514	6.5
56.96590	0.4
57.07080	1.0
65.03956	2.0
67.05511	85.4
68.05851	0.8
69.07072	4.8
71.08638	0.5
71.27985	0.4
79.05497	4.6
81.07064	43.9
82.07405	0.5
83.08621	0.9
91.05471	1.4
93.07053	4.9
95.04976	0.7
95.08615	100.0
96.08947	1.8
105.07047	1.5
107.08585	1.6
109.06523	0.7
109.10165	49.6
110.06017	0.3
110.10520	0.9
123.08096	0.3
123.11708	0.8
133.10153	0.7
151.02858	0.5
151.04007	0.4
151.07553	0.7
151.11201	2.2
151.14832	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	152.0708
Annotation	Paracetamol
Peak:m/z	Relative Intensity
52.62523	0.2
53.03943	0.4
55.01865	0.5
56.96307	0.5
56.96570	7.8
57.03446	1.7
61.02918	0.6
65.03935	1.1
67.05491	0.4
68.98293	0.3
69.03407	1.0
69.46288	1.9
70.98106	0.4
70.99844	0.3
71.04999	0.3
71.95277	1.3
73.02928	1.6
73.17061	0.3
75.01054	0.4
79.01833	0.9
79.05484	0.9
80.04974	0.2
81.03434	0.4
82.01438	0.4
82.62807	0.2
83.00783	0.3
83.04984	0.2
84.96033	0.6
85.01409	0.4
85.02928	1.3
86.99338	0.3
88.99113	0.3
89.00803	0.6
90.01555	0.6
92.05007	6.3
93.05784	1.7
94.06559	0.5
96.51720	0.3
97.01390	0.6
97.02885	1.1
98.01301	0.7
98.97587	3.2
99.97896	0.4
100.02496	0.5
101.00864	1.5
103.02453	0.6
106.06569	1.4
108.08071	0.6
109.05259	0.5
110.01269	0.5
110.03529	0.4
110.06042	5.4
110.51466	0.4
110.97577	9.3
110.98348	0.5
110.99281	0.3
111.02956	0.3
113.00862	0.3
115.02421	0.5
116.98624	1.0
117.02190	0.3
117.03992	0.5
118.03500	0.3
119.01871	1.9
119.51984	0.4
120.01503	0.3
122.06036	2.5
123.06796	0.5
124.03880	0.3
124.07614	0.9
124.95444	0.3
125.02347	0.4
125.04735	1.2
128.02362	0.5
128.52528	0.7
128.97699	0.5
128.98615	7.4
129.00188	1.2
129.03972	1.5
131.01910	0.7
133.03468	0.5
134.06036	3.0
135.03093	0.8
135.05029	0.7
137.02924	0.5
138.05461	0.7
140.04939	0.3
143.01953	0.6
143.03387	0.5
145.03543	0.4
146.99658	2.5
147.01407	3.4
147.03223	0.8
147.05038	1.5
152.07060	100.0
153.01860	2.1
153.02965	0.6
153.04060	0.8
153.07446	2.0
161.02968	0.7
165.00772	0.3
165.02267	0.3
170.02939	0.3
173.02960	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05518	5.8
57.07083	1.0
62.29818	0.3
64.98633	0.4
65.03941	1.8
67.05510	61.0
68.05841	0.7
69.07072	4.2
71.08646	1.0
73.11735	0.4
79.05501	9.9
81.07062	83.6
82.07401	1.2
83.08629	1.1
91.05496	2.5
93.07056	4.4
95.04977	1.6
95.08613	100.0
96.08945	1.3
98.97577	0.4
103.64070	0.4
105.07046	2.0
106.80769	0.5
107.08600	1.5
109.06502	1.9
109.10163	36.5
110.10473	0.6
112.70780	0.4
119.01759	0.7
123.04446	0.8
123.08077	1.5
123.11723	1.0
133.10129	0.7
151.02884	0.9
151.03940	1.4
151.07607	0.8
151.08621	0.5
151.11215	2.9
151.14827	8.4
152.07115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1483
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03947	1.0
55.05515	5.2
56.65467	0.6
57.06794	1.0
57.07079	17.6
65.03952	2.4
67.05511	39.5
69.03426	0.9
69.07076	8.8
69.49094	0.6
71.02328	1.7
71.08638	5.0
79.05508	5.3
80.06271	0.7
81.07066	40.4
83.08624	3.8
90.44813	0.7
91.05492	2.3
93.07047	6.4
95.04995	1.7
95.08614	100.0
96.08969	1.6
101.63867	0.7
105.07046	5.5
107.04926	0.7
107.08605	4.9
109.06527	8.4
109.10165	79.4
110.10545	1.7
119.94397	0.7
121.06493	1.2
121.10133	1.3
122.07295	0.8
123.08086	7.6
123.11715	9.3
133.10147	1.9
135.08025	2.0
136.08859	11.0
151.03941	1.7
151.11195	86.0
151.14810	15.9
152.11555	2.4
152.15094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03942	2.1
54.58221	0.6
55.01868	1.7
55.05512	4.2
57.03443	0.9
57.07071	1.8
57.98837	0.6
59.04992	1.5
65.03937	1.3
67.05177	0.8
67.05511	10.7
69.03437	3.1
69.07069	3.6
69.97016	2.2
79.05495	7.9
81.03417	2.0
81.07063	22.9
83.04971	1.4
84.15805	0.5
86.53665	0.6
91.05487	10.4
93.07060	7.9
95.04972	7.9
95.08614	10.0
97.06536	1.5
101.93631	0.6
103.05452	1.0
105.07041	15.4
107.04977	1.3
107.08604	10.7
108.05762	1.0
109.06523	16.6
109.10159	12.3
111.08157	0.6
119.04951	0.9
119.06056	0.5
119.08575	0.6
121.06516	2.0
121.10176	2.9
123.04459	1.0
123.08079	7.4
123.11716	7.9
131.08606	0.8
133.06532	0.9
133.10150	8.4
134.10562	0.6
135.08064	0.7
136.05286	0.5
136.08868	3.9
137.06020	0.6
140.39308	0.5
151.02924	0.6
151.03961	2.9
151.07655	3.9
151.11192	100.0
152.07010	0.8
152.11536	2.4
162.31053	0.6
169.03233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	(+)-Sabinone
Peak:m/z	Relative Intensity
53.03942	2.2
55.01875	1.3
55.05512	13.1
57.03442	1.8
57.07080	8.1
59.05009	8.5
65.03941	6.3
67.05508	68.9
69.03415	4.2
69.07067	6.0
69.20227	11.1
71.40461	1.0
79.05494	15.8
81.07060	100.0
82.07369	1.4
83.04995	1.3
91.05483	17.6
93.07041	18.2
95.04977	42.6
95.08617	16.6
97.06544	1.2
105.06325	1.2
105.07034	34.0
107.08603	26.7
109.06528	37.9
109.10159	34.7
109.10918	1.2
115.05486	1.3
119.06084	1.4
121.10176	2.7
123.04460	5.5
123.08107	6.9
123.11712	63.9
131.08583	3.5
133.10135	31.7
136.08826	1.3
151.03908	3.6
151.07555	3.1
151.09966	2.6
151.11191	54.6
152.07060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0915
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
51.02382	0.7
53.03946	1.9
54.06557	0.5
55.01866	1.2
55.05509	1.5
56.02209	0.8
65.03933	2.4
66.04268	2.1
67.05504	4.3
69.03448	2.7
70.06584	0.6
70.18533	2.2
77.03900	0.5
79.05498	8.2
80.05024	3.2
80.05820	1.2
80.06273	0.8
81.03427	1.3
81.05789	2.5
81.07063	6.7
91.05482	7.1
92.05796	2.0
92.06314	3.0
93.05785	5.5
93.07043	3.7
94.03696	0.6
94.06577	6.8
94.07338	2.7
95.04967	2.6
95.08618	4.5
103.05452	0.9
104.05006	1.0
105.04544	0.6
105.07042	20.2
106.06573	8.8
106.07313	1.0
107.07346	40.2
107.08576	2.7
108.04479	1.9
108.08105	2.6
108.08917	1.7
109.06530	5.8
109.10123	1.6
113.03983	0.5
117.05754	2.8
119.01693	0.6
120.08089	2.4
121.03979	0.8
121.08915	4.1
121.10155	0.9
122.03201	6.1
122.04288	1.5
122.06038	3.7
122.09678	47.8
122.10464	3.0
123.04440	0.6
123.08076	3.2
123.09985	1.0
123.11729	1.1
131.07272	0.8
132.08078	2.3
132.08965	1.1
133.06519	1.0
133.10144	1.0
134.06010	0.6
135.06807	13.1
137.98401	0.6
150.02687	15.4
150.05539	3.8
150.09138	100.0
151.07584	3.2
151.09465	2.2
151.11217	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03941	4.0
55.01864	3.4
55.05517	7.0
65.03944	53.4
66.04253	1.2
67.05502	5.4
69.07077	9.3
71.40261	0.9
71.40607	1.4
73.11140	0.9
75.63204	1.1
77.02865	0.9
79.05496	23.6
80.02641	1.1
81.07060	24.6
89.03939	1.1
91.05479	22.7
92.05803	1.1
93.03413	11.4
93.07049	65.1
94.07364	1.1
94.74812	0.9
95.04971	3.7
95.08624	5.2
98.03698	1.4
103.05476	3.0
105.04511	2.2
105.07014	7.2
106.04134	1.1
107.08605	39.1
108.08958	1.3
109.06499	1.8
111.04464	5.6
119.08575	2.2
121.02872	57.3
121.03981	20.8
121.06506	3.1
121.10154	20.1
122.03226	1.5
126.05573	1.2
131.08595	2.5
134.07269	1.5
137.25114	0.9
137.77979	1.0
146.17923	1.1
149.02350	100.0
149.06012	2.6
149.09627	9.1
149.13271	20.8
150.02715	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03941	1.8
55.01857	1.9
55.05498	2.8
57.07053	1.0
65.03944	49.6
66.04267	1.1
67.05499	2.9
69.07057	3.0
70.63053	2.5
79.05494	9.9
80.02627	1.5
81.07057	9.3
84.64548	0.8
86.12677	0.9
91.05485	13.4
93.03411	10.2
93.07045	27.2
93.07645	1.6
95.04983	2.2
95.08598	2.4
98.03635	0.9
103.05453	1.7
105.07025	10.5
107.08595	19.5
108.04478	1.3
111.04456	7.1
117.03425	0.9
119.08609	4.1
121.02871	60.7
121.03975	18.7
121.06496	2.9
121.09328	1.5
121.10152	21.1
122.03211	1.4
123.08052	1.2
131.08583	1.1
133.07652	1.7
133.10165	1.3
134.10928	1.2
149.02350	100.0
149.06013	3.3
149.09653	7.5
149.13271	9.8
150.02658	2.2
161.13902	0.8
169.03526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
52.59332	1.5
53.03932	5.4
55.01863	3.4
55.05504	2.1
65.03937	9.8
69.03427	4.4
69.18734	16.2
79.05502	26.4
81.07041	3.3
82.89427	1.4
87.54440	1.5
91.05486	66.5
93.03416	2.8
93.07052	36.5
95.04954	4.6
103.05473	12.4
105.04555	2.3
105.07039	50.5
106.07832	4.8
107.04960	2.5
107.08609	3.7
109.06532	5.8
115.05461	7.2
116.06248	27.0
119.08571	9.0
121.02875	13.0
121.03971	3.3
121.06507	22.3
121.10149	39.7
121.17524	1.4
123.08076	2.8
126.90411	1.7
129.07001	7.6
131.08582	29.0
133.06488	2.1
133.07632	4.1
134.07251	4.2
147.08092	4.6
149.02350	19.0
149.09630	100.0
150.09943	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	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02391	0.7
53.03946	7.4
55.01862	2.4
55.05506	2.7
65.03944	38.4
67.05495	2.2
69.03426	2.0
69.07065	1.3
70.96489	1.7
77.03922	1.8
79.05496	27.1
80.02642	1.0
80.05791	0.8
81.07050	4.2
82.37939	0.8
91.05487	28.3
93.03412	9.2
93.07047	46.5
95.04966	4.0
97.60826	0.9
98.03702	1.5
103.05471	8.4
105.04508	3.3
105.07035	30.5
106.07835	4.1
107.04942	2.1
107.08599	6.2
108.04459	0.8
109.06532	1.6
111.04471	4.6
114.96133	0.7
115.05473	1.4
116.06220	3.2
119.08595	5.6
121.02872	42.8
121.03979	16.2
121.06503	6.9
121.10139	26.2
122.03187	1.7
122.10491	0.9
123.08076	3.5
131.04909	2.0
131.08569	3.2
133.06512	1.3
133.07632	2.1
134.07278	2.0
149.02350	74.8
149.05980	2.8
149.09627	100.0
149.13286	2.3
150.02710	2.1
150.05499	1.1
150.09967	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41536	0.4
56.05036	6.0
56.96571	1.2
57.03803	0.4
59.37587	0.4
65.03938	3.8
67.05489	0.6
69.23032	0.5
78.98779	0.4
84.04508	100.0
85.02913	2.3
85.04851	1.6
85.06549	1.4
87.67106	0.4
92.05814	1.0
93.03416	1.1
102.05544	14.0
102.24706	0.5
111.04539	0.5
120.05302	1.1
121.02883	5.3
121.03986	1.6
130.04996	6.7
133.10838	0.4
148.03938	0.9
148.06093	1.0
148.07587	0.8
149.02364	7.6
168.44693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0606
Annotation	L-Glutamate
Peak:m/z	Relative Intensity
56.05037	6.3
56.96560	0.8
57.03430	0.4
60.04529	0.7
65.03951	2.3
67.05519	0.5
70.10390	1.6
74.00668	0.9
74.02432	0.6
76.24569	0.4
84.04509	100.0
84.08150	1.1
85.02905	3.1
85.04820	2.7
85.06544	1.7
85.08456	0.4
88.04008	1.2
92.05807	0.9
93.03405	0.6
102.04851	0.8
102.05543	16.0
103.17598	0.4
120.05303	1.2
121.02894	2.5
121.03987	1.1
130.05019	8.1
148.06078	1.2
149.02354	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	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
53.03934	2.9
53.52007	1.3
55.05503	10.2
65.03940	5.8
67.05507	2.3
69.07063	2.7
70.78627	3.1
70.78970	1.7
79.05518	7.0
84.04522	2.7
90.03978	1.4
91.05488	100.0
92.05816	2.5
93.07041	2.9
103.05462	5.3
104.06223	2.3
105.07038	64.2
106.07378	1.7
107.04990	2.1
107.08596	7.4
113.03072	1.5
115.05444	2.9
116.06216	1.7
117.07025	16.2
119.04952	54.0
119.08588	95.0
129.07007	2.5
130.07761	1.7
131.08571	3.1
132.05681	2.7
132.09334	7.3
138.07970	1.3
140.06567	1.4
145.10159	11.4
147.04420	23.1
147.05525	2.2
147.08098	11.7
147.10518	2.5
147.11705	51.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Viridiene
Peak:m/z	Relative Intensity
52.34940	0.8
53.03937	3.3
55.01864	0.9
55.05514	16.9
58.31908	0.8
63.64930	0.8
64.92793	1.4
65.03922	3.9
67.05501	3.7
69.07063	3.3
70.75884	2.6
73.37601	0.8
79.05492	11.5
81.07039	2.1
83.06898	1.1
91.05486	73.9
91.58994	0.7
92.05817	1.6
93.07048	5.4
95.04990	1.6
97.06258	0.8
103.05466	5.3
104.06226	1.5
105.07034	89.1
106.07309	1.0
107.04961	16.9
107.08600	3.4
115.05460	1.4
116.06233	1.4
117.07025	14.4
119.04951	17.8
119.08585	100.0
120.08917	4.1
123.96470	2.5
128.06174	1.7
129.06998	3.1
131.04897	0.9
131.08504	1.8
132.05722	7.2
132.09338	3.9
144.49664	0.8
145.06523	1.3
145.10120	4.6
146.06973	0.7
146.12123	0.8
147.04411	6.5
147.05479	1.4
147.08055	33.1
147.09175	1.3
147.11693	38.8
156.45811	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47338	0.5
60.06955	0.5
65.03942	12.2
69.63449	3.3
91.05486	100.0
92.05814	2.3
100.18285	0.5
105.07037	2.4
107.05010	0.5
108.57174	0.6
117.07027	0.6
119.04948	94.5
119.08585	3.8
120.05283	2.4
125.91641	0.5
141.77882	0.5
147.04413	36.0
147.11688	1.9
148.04764	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03943	11.8
70.86762	1.3
91.05489	100.0
92.05829	2.2
105.07037	3.2
110.28843	0.5
117.07040	0.5
119.04951	92.2
119.08561	3.2
120.05299	2.9
147.04424	32.8
147.11693	1.8
148.04762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0806
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
53.03961	2.2
53.58551	0.6
55.01875	2.7
55.05513	1.7
64.92815	2.5
65.03943	3.6
67.05516	1.3
69.20143	1.7
69.20561	5.2
77.03928	0.7
79.05489	6.3
81.03401	0.7
83.06912	0.7
91.05491	100.0
92.05811	1.9
93.07063	2.8
95.04984	1.4
103.05488	4.9
104.06259	3.3
105.07039	17.7
107.04964	37.3
107.81499	0.7
115.05493	1.9
117.07028	16.3
119.04948	18.4
119.08591	56.5
120.08943	1.1
123.96469	2.9
128.06241	4.2
129.06995	10.8
131.04929	2.5
132.05728	21.4
145.06505	2.2
145.10179	0.9
147.04446	6.8
147.08061	80.4
147.11691	6.5
148.08400	2.4
157.85030	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.66862	0.4
65.03943	10.2
70.95495	1.0
84.04503	0.8
90.08598	0.4
90.11768	0.4
91.05487	100.0
92.05792	2.1
95.04958	0.5
103.05464	0.6
105.07029	1.0
119.04949	88.0
119.08585	1.7
120.04541	0.4
120.05267	2.7
147.04416	32.3
147.08124	0.7
147.09180	3.7
147.11740	0.5
148.04750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03935	0.7
60.01312	0.5
63.56258	0.5
65.03613	0.9
65.03944	11.0
69.51922	1.7
69.52335	1.4
91.05487	100.0
92.05824	2.0
98.20798	1.1
105.04530	0.5
119.04947	95.5
120.05273	2.5
147.04419	31.3
148.04781	0.8
148.37364	0.5
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	3-Methyleneoxindole
Peak:m/z	Relative Intensity
53.03949	0.7
55.05518	5.7
55.67612	0.4
55.87835	0.4
56.05029	1.8
56.14426	0.4
58.06608	0.5
61.89455	0.4
62.64890	0.4
65.03934	1.2
70.23660	1.0
70.24017	1.3
72.08157	7.5
74.02443	2.0
82.06583	17.3
84.08145	1.0
91.05488	33.7
100.04003	0.7
100.04790	1.0
100.07620	10.7
103.05462	0.5
105.07034	0.7
112.11233	1.8
117.05773	4.9
118.06548	100.0
119.04946	7.5
119.06860	2.5
119.08564	0.5
128.04985	6.2
128.07079	3.5
133.63295	0.4
146.06026	22.2
146.07968	3.7
146.69272	0.6
147.04410	5.7
147.06462	0.8
147.08076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92974	0.7
56.96545	0.9
57.03439	1.4
58.99855	3.1
60.95144	1.1
62.47898	0.7
64.84489	0.8
70.99531	1.0
70.99860	8.2
71.49957	0.9
71.50305	1.0
72.08153	1.4
77.00883	1.9
81.04557	10.5
82.99836	5.4
84.08138	0.8
85.02882	1.3
85.53710	0.8
89.00898	4.4
93.01884	0.8
95.06080	5.3
101.00892	64.2
102.01001	1.7
103.02489	1.0
107.01964	0.9
115.02370	0.8
119.01933	100.0
119.98879	0.8
120.02035	3.1
124.02499	1.0
125.07140	3.1
126.12859	1.1
131.01947	1.3
133.03467	1.3
137.02962	8.8
142.03542	1.8
143.01927	5.3
143.03419	1.6
143.08115	1.3
144.10233	3.2
161.02965	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	146.0602
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
55.01860	0.6
55.05521	2.2
55.96452	0.6
58.85672	0.6
61.95960	0.6
62.49390	0.6
65.03950	1.7
70.85734	1.4
72.08170	3.7
74.02431	1.0
82.06586	5.8
84.08150	1.0
91.05488	36.0
92.05791	0.9
94.58128	0.5
98.10643	0.5
100.04816	1.2
100.07617	4.1
111.91551	0.7
112.11216	0.7
117.05768	5.0
118.06551	100.0
119.04953	5.2
119.06914	2.2
128.04987	6.9
128.07065	1.2
138.74364	0.6
146.06024	21.7
146.08087	1.3
147.04459	3.9
159.58295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	7.8
59.79711	4.9
59.95493	24.7
60.15190	5.9
60.95124	20.0
63.21234	6.0
70.49744	10.0
70.50098	12.9
82.99834	7.4
100.98121	9.0
101.00889	62.1
101.38673	6.0
101.97756	12.0
109.34028	5.3
118.99178	23.6
119.01930	100.0
119.98778	13.0
133.50668	5.4
137.00211	7.5
137.02953	13.7
142.03517	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	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32841	4.3
63.45335	4.2
70.92200	8.8
73.30986	3.7
86.54071	3.7
101.00896	43.8
119.01933	100.0
124.97591	7.7
128.49521	7.4
133.98119	7.1
136.48383	4.8
137.02954	15.2
137.50024	12.6
142.03508	17.5
145.48947	5.1
160.04543	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	143.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
56.45757	0.6
56.96569	5.3
57.03435	2.4
58.99873	2.1
61.02933	0.8
68.98277	0.6
69.03433	2.3
70.98130	1.6
70.99860	11.5
71.09926	1.2
72.08176	1.2
73.02915	0.7
77.00895	1.9
79.51936	0.9
81.03400	1.5
81.04539	2.6
82.01469	0.8
82.99849	9.9
84.08147	0.7
85.02920	2.4
88.02686	0.7
89.00900	3.9
93.01929	0.8
95.06081	1.1
95.71851	0.7
97.02888	1.7
98.97570	2.3
100.02492	1.9
101.00886	82.1
102.00992	2.6
102.96836	1.1
103.02454	1.0
111.02888	1.1
113.00845	0.7
113.53151	1.0
115.02440	1.4
116.98601	0.9
119.01923	100.0
120.01983	4.2
123.01691	0.8
124.02473	1.3
125.02369	2.2
125.07184	0.7
131.01897	1.5
133.03473	0.8
137.02951	9.5
142.03473	2.9
142.07704	0.6
143.01907	6.4
143.03413	14.9
144.04938	0.8
144.10237	0.9
154.03479	0.8
161.02963	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	140.0706
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
51.02374	1.5
51.20892	1.6
53.03950	25.2
55.01878	7.8
55.05511	2.3
56.96573	21.4
57.51145	1.4
57.93561	6.2
65.03925	6.3
66.04292	2.7
67.05511	52.7
67.52754	1.4
68.05019	1.7
69.03450	1.8
69.07074	14.2
69.55702	8.7
70.06596	14.9
71.95250	7.8
72.47171	1.4
73.29312	1.4
77.03920	3.2
81.03416	8.2
81.07066	1.9
84.08149	11.1
88.17139	1.4
93.05789	16.5
94.06576	61.1
95.04975	37.3
95.08596	4.1
96.04486	3.6
97.02895	4.1
97.06544	8.3
98.06065	4.1
98.97591	91.4
105.04530	12.7
109.02885	3.7
112.03953	5.5
112.04720	2.9
112.07612	17.8
113.02380	4.4
116.97298	13.8
116.98623	57.3
116.99464	2.9
122.06039	100.0
123.04430	3.2
123.06396	1.5
125.02361	4.1
126.03165	3.4
134.99654	17.8
140.00171	2.5
140.03398	11.2
140.04355	1.9
140.07074	54.2
140.10664	3.4
141.01836	5.8
141.05452	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	140.0707
Annotation	1,2,3,6-tetradehydro-propylproline
Peak:m/z	Relative Intensity
53.03710	1.6
53.03954	29.8
55.01868	2.9
55.05512	1.4
56.96579	12.0
57.03431	1.4
57.93573	3.1
59.60953	1.1
65.03947	2.9
66.04286	1.2
67.05510	45.1
67.08669	1.1
68.05024	1.8
69.03425	2.3
69.07066	10.7
70.06603	9.6
71.95254	3.4
77.03928	6.7
81.03413	4.2
81.07021	1.8
84.08131	10.7
93.05786	15.4
94.06578	58.4
95.04976	32.6
95.08649	2.1
96.04508	3.5
97.05278	1.2
97.06545	1.8
98.06062	2.2
98.20712	2.8
98.97594	51.9
105.04526	12.9
109.02895	1.9
112.03987	3.0
112.04774	1.3
112.07613	19.0
113.02399	1.8
113.06013	2.7
116.97236	4.1
116.98631	27.9
117.45720	1.3
122.06037	100.0
123.04450	2.7
123.06392	2.5
125.02391	2.3
134.99678	4.5
140.03436	3.6
140.07077	55.4
140.10690	2.7
141.01868	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	141.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01877	28.3
55.05500	3.2
57.03439	1.9
63.26523	0.8
67.01864	1.3
67.05513	9.9
71.04998	4.1
71.51214	1.4
79.05493	3.7
81.03426	5.6
81.07062	15.7
83.08616	1.4
85.02917	1.6
85.06565	1.3
89.80226	0.7
93.07073	1.8
95.01354	2.8
95.04977	7.5
95.08607	11.2
96.04475	1.4
97.06538	100.0
98.06875	1.3
99.04459	0.9
99.97926	0.9
109.02889	4.0
113.02390	7.7
113.06016	0.7
115.05470	2.5
118.30558	0.7
123.04466	3.1
123.08048	3.6
123.11696	0.8
124.08370	0.8
126.03133	4.1
127.03888	0.8
128.16368	0.7
141.01851	9.2
141.05441	4.1
141.07056	4.2
141.09142	1.9
142.08661	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98652	0.9
56.96574	20.2
69.67382	2.3
71.95273	6.8
81.22492	0.6
97.13608	0.5
98.20806	0.7
98.97595	100.0
116.98632	33.7
119.01807	0.8
123.83826	0.7
134.99680	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	139.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.5
55.01866	3.9
55.05515	15.0
56.96563	5.5
57.03424	1.9
57.07066	4.8
59.04992	4.0
64.37790	1.4
65.03943	13.4
67.05521	10.6
68.99784	1.5
69.03435	100.0
69.07072	9.3
70.06576	3.9
70.47695	3.8
79.05501	9.5
81.07063	7.2
81.07476	1.1
83.04990	20.1
88.15646	1.2
91.05484	7.0
93.03411	8.4
93.04552	2.7
93.07048	20.7
94.06560	1.3
95.04979	20.3
95.06030	1.0
95.08614	11.6
97.06541	18.2
97.10160	1.5
98.97580	11.0
98.98474	14.4
103.05423	1.6
105.04520	3.6
105.07037	5.0
109.06558	1.6
110.07269	1.4
111.03714	2.2
111.04451	27.9
111.08099	3.2
116.97250	2.5
116.98630	4.8
118.65909	1.2
121.02889	11.7
121.03976	7.7
121.06500	3.6
121.10152	15.9
122.06075	1.5
133.07614	1.6
134.99673	1.4
139.03903	15.6
139.05013	4.4
139.05919	1.9
139.07529	4.3
139.11183	48.9
140.03406	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	139.1119
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
51.19376	0.9
53.03956	5.1
55.01873	4.5
55.05513	11.1
56.96566	5.3
57.03422	2.1
57.07074	4.4
57.93547	1.6
59.05005	4.6
60.72491	0.9
65.03942	13.6
67.05511	8.2
68.99789	1.3
69.03432	100.0
69.07074	10.8
70.06600	2.1
71.51080	1.5
71.95258	1.1
79.05499	11.0
81.03448	0.8
81.04539	2.0
81.07061	5.5
82.06533	1.0
83.04493	1.4
83.04985	20.2
91.05476	5.1
93.03411	8.3
93.04506	2.0
93.07047	19.1
94.06589	2.8
95.04971	25.3
95.06006	1.5
95.08609	10.2
96.04489	1.2
97.02881	1.1
97.06532	18.2
98.97585	9.6
98.98470	11.4
103.05471	1.9
105.04508	1.9
105.07055	5.7
111.04437	18.9
111.08057	4.3
112.03999	1.2
116.97235	2.1
116.98607	4.4
119.08595	1.3
121.02871	16.2
121.03992	5.9
121.06554	1.7
121.10145	14.7
128.84581	0.9
130.36038	0.9
134.99634	1.3
139.01602	1.2
139.03905	13.7
139.05054	3.3
139.07527	3.1
139.11186	49.0
140.03386	1.7
140.07060	1.4
140.11549	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1118
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
52.34203	4.1
53.03953	7.7
55.01863	11.0
55.05516	43.7
56.96558	13.1
57.03431	9.9
57.07076	9.3
57.93562	3.8
59.04992	9.3
60.34946	3.0
65.03939	30.4
65.72675	3.0
67.05514	25.7
69.03436	100.0
69.07078	24.2
70.95544	8.0
79.05501	32.9
81.07058	10.4
83.04986	68.4
91.05486	20.6
93.03403	19.3
93.04533	6.3
93.07050	66.8
94.06564	5.9
95.04978	32.9
95.08619	31.3
97.02885	5.5
97.06540	43.2
98.97582	13.9
98.98476	33.4
103.05457	8.6
105.07057	27.6
109.06563	4.9
109.10149	6.8
110.07298	6.8
111.04448	48.7
111.08087	21.3
116.98656	8.7
121.02832	18.2
121.04006	18.4
121.10156	84.7
134.99657	3.6
139.03911	21.9
139.04927	6.6
139.07530	8.7
139.11200	98.7
139.12213	4.6
140.03323	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	139.0391
Annotation	Sesamol
Peak:m/z	Relative Intensity
52.12050	0.7
53.03942	4.2
55.01623	1.0
55.01875	9.0
55.05522	4.5
56.96554	0.8
59.05001	1.0
65.03945	35.8
65.83313	0.6
66.04263	0.8
67.01867	6.0
67.05505	10.1
68.31407	0.7
68.99796	15.2
69.03429	4.2
69.95081	1.2
69.95505	2.8
70.06589	0.9
71.01347	2.8
79.01867	0.9
83.04984	9.3
91.05494	0.9
92.07814	0.7
93.03410	31.2
95.04969	5.0
97.02876	3.6
97.06574	1.1
98.97569	2.2
98.98498	1.0
99.00802	1.4
111.04448	49.6
116.97272	0.8
121.02903	3.6
121.03965	2.0
121.10193	0.7
139.03912	100.0
140.04247	2.3
156.80679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0391
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
50.71810	0.3
53.03946	0.7
55.01870	1.8
55.05508	2.0
56.96570	1.8
57.93553	0.6
65.03944	18.2
66.04292	0.3
67.01868	0.8
67.05502	2.7
68.99802	2.0
69.03440	1.4
69.07063	1.2
70.66000	0.9
77.39896	0.3
79.05506	0.6
80.02615	0.4
81.04540	0.4
81.07035	0.4
83.04987	3.9
83.06105	0.4
91.05488	0.8
93.03408	9.7
93.04535	0.6
93.07042	1.9
94.06587	0.8
95.04962	3.0
95.08610	1.1
97.02892	1.1
97.06522	1.0
98.97592	6.2
98.98473	2.5
111.04446	16.4
111.08044	0.4
112.04715	0.3
112.07626	0.8
116.97301	0.7
116.98611	2.6
121.02874	100.0
121.03915	5.2
121.10139	0.5
122.03188	2.0
134.99661	0.6
135.25743	0.3
139.03912	18.3
139.04893	0.7
139.07564	0.5
139.11153	0.9
139.12311	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
51.02362	0.2
53.03957	0.6
55.01863	0.3
55.05506	0.4
55.24830	0.2
61.60378	0.2
64.24696	0.3
65.03945	1.6
67.04244	0.3
67.05511	2.0
68.05028	0.9
68.05843	0.3
69.03417	0.7
69.07024	0.3
71.50974	0.3
78.03460	8.6
79.04223	2.2
79.05502	0.3
80.05031	1.4
81.07043	0.2
82.06570	0.9
82.07375	0.5
83.04968	0.7
91.05476	0.5
92.05029	0.4
92.05827	0.4
93.03413	0.6
93.05789	0.6
93.07066	0.7
94.06596	1.5
95.04458	0.4
95.04974	0.9
95.07348	0.7
95.08620	0.3
96.04499	19.4
98.98486	0.6
106.02914	0.6
108.04488	5.0
108.05190	0.3
109.05260	0.6
110.06075	2.7
110.06805	0.4
110.09691	0.3
111.03249	0.6
111.04444	1.6
120.04453	0.5
121.02847	0.4
121.04007	0.5
121.06522	0.5
123.03986	0.8
123.06805	1.2
123.07561	0.2
124.03970	4.6
136.03979	0.3
138.05507	100.0
138.09067	3.0
139.03893	0.7
139.05870	1.4
141.94548	0.3
145.92572	0.2
154.04987	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
50.46953	0.5
53.03935	2.3
55.05517	5.7
57.07077	13.7
65.03936	1.2
66.04717	0.9
66.79310	0.5
67.05508	29.4
69.07069	7.1
70.05893	1.6
70.06313	0.9
79.05497	9.5
81.03433	1.0
81.07059	62.0
91.05499	4.3
93.07056	7.7
94.04193	5.2
95.04978	1.7
95.08610	100.0
96.08959	1.8
107.08588	1.3
108.09374	1.7
109.06512	2.1
109.10158	10.5
119.04906	1.0
122.03667	6.8
122.07320	2.0
122.10885	0.7
134.13814	0.5
137.02461	2.8
137.05960	10.1
137.09610	2.9
137.13257	11.9
138.05473	0.7
142.31525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	ALPHA-PHELLANDRENE
Peak:m/z	Relative Intensity
53.03937	2.7
54.11279	0.7
55.01863	1.0
55.05511	7.9
56.20614	0.7
57.07082	8.9
62.81723	0.8
65.03943	2.5
66.04723	2.4
66.07491	0.8
67.05508	33.1
68.99802	1.0
69.03442	1.4
69.07072	8.7
70.85501	1.7
79.05498	15.8
79.45895	0.9
81.03432	1.5
81.07060	88.5
82.07381	1.2
91.05492	9.9
93.07059	10.5
94.04186	12.1
95.04974	3.8
95.08613	100.0
96.08937	1.7
99.47505	1.1
105.25406	0.9
107.04988	1.1
107.08576	1.5
108.09361	0.9
109.06512	4.9
109.10155	8.6
110.06070	1.3
119.04939	0.9
120.53185	0.9
122.03668	15.3
122.07293	2.8
137.02402	5.7
137.05980	24.5
137.07076	1.8
137.09634	6.0
137.10629	1.6
137.13274	10.0
138.05476	2.4
138.09135	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.8
53.03949	2.6
54.65162	0.6
55.01880	1.3
55.05516	3.1
57.07073	1.8
59.60894	0.5
65.03942	2.3
66.04729	2.4
67.05509	33.3
68.05048	0.6
69.03439	2.6
69.07076	1.6
70.50208	1.8
72.85066	0.5
77.03915	0.8
79.05503	6.5
80.91978	0.6
81.03418	2.6
81.07063	13.5
82.06587	0.9
91.05486	15.8
93.07065	5.6
93.75194	0.6
94.04197	13.3
94.05101	0.7
94.07834	1.1
95.04974	4.0
95.08614	16.5
96.04501	4.1
100.71224	0.6
103.05495	1.1
104.06267	1.5
105.04551	1.3
105.07040	0.6
107.04210	0.7
107.04962	23.9
107.08595	2.2
109.06538	2.0
109.10164	30.4
110.06059	1.2
117.07024	2.5
119.04972	0.6
119.08589	13.1
120.08981	0.6
121.06506	7.8
122.03667	15.7
122.07292	100.0
123.07634	1.7
135.08069	3.7
137.02383	3.9
137.03500	2.2
137.04912	0.9
137.05984	23.1
137.09622	76.5
137.13203	1.4
138.05524	1.2
138.09972	1.1
139.44746	0.6
149.07100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03951	2.7
55.01871	1.9
55.05511	2.9
57.07067	2.3
58.06671	0.4
65.03937	2.5
66.04720	2.1
67.05509	34.2
68.05023	0.9
68.05814	0.5
69.03432	5.0
69.07080	2.3
70.90894	0.9
77.03911	0.7
79.05499	9.3
81.03418	3.6
81.07063	19.9
82.06579	1.2
83.16265	0.4
91.04907	1.0
91.05485	19.9
92.05799	0.7
93.07055	7.1
94.04193	17.9
94.07818	1.5
95.04571	0.4
95.04994	3.5
95.08615	24.3
96.03908	0.8
96.04498	10.0
103.05466	1.3
104.06250	0.9
105.04521	2.7
107.04964	24.2
107.08596	2.4
109.06539	3.1
109.10161	37.2
110.06058	1.3
110.10484	0.7
117.07032	2.2
119.04981	1.0
119.08585	15.8
121.06519	10.3
122.02751	0.7
122.03662	22.6
122.07292	100.0
123.07635	2.9
135.08057	4.2
137.02379	5.1
137.03505	1.8
137.04887	0.9
137.05991	37.0
137.09624	84.2
137.13243	1.8
138.01717	0.5
138.05482	3.3
138.06380	0.9
138.09970	2.1
139.07574	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03944	7.5
55.01871	2.4
55.05319	1.1
55.05518	11.5
57.07067	5.4
61.08290	1.2
65.03960	8.2
66.04709	5.3
67.05509	82.5
68.05859	1.2
69.03441	5.5
69.07069	7.1
71.00758	3.1
75.06848	1.2
75.58889	1.0
77.03909	1.7
79.05505	23.1
79.05946	0.8
81.03409	4.5
81.07063	55.0
82.06573	1.6
91.05490	30.4
93.07059	10.7
94.04198	55.1
94.07809	1.5
95.04990	11.0
95.08614	54.0
96.04490	9.6
103.05448	2.2
105.04520	1.6
107.04967	22.0
107.08588	3.7
109.06528	12.2
109.10162	43.2
110.06059	2.6
117.07070	3.1
117.70618	1.1
119.04958	3.3
119.08591	14.2
121.02879	1.5
121.06532	5.9
122.02761	2.1
122.03661	63.2
122.07296	70.3
123.04019	1.7
135.08063	2.6
137.02515	8.3
137.03539	3.1
137.05988	100.0
137.09628	76.1
137.10582	2.0
137.13264	3.5
138.05495	4.2
138.09097	1.6
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	4-Propylphenol
Peak:m/z	Relative Intensity
50.54007	0.6
51.02379	0.8
53.03958	3.8
55.01866	2.4
55.05516	4.7
57.07072	2.5
65.03942	5.1
65.62427	0.7
66.04721	4.2
67.05508	42.6
69.03431	3.3
69.07075	3.5
71.24181	0.7
74.23996	0.6
77.03934	1.3
79.05492	13.8
80.06273	1.0
81.03409	2.6
81.07059	30.4
88.65772	0.7
91.05487	38.3
92.05796	1.2
93.07046	9.7
94.04190	34.0
94.06582	0.9
94.07837	1.8
95.04974	9.0
95.06114	0.6
95.08611	28.9
103.05484	2.0
104.06244	2.1
105.03397	0.8
105.04572	1.7
107.04961	27.9
107.08588	2.9
109.06529	8.7
109.10161	36.8
110.06054	0.7
117.07027	2.5
119.04951	6.0
119.08587	18.8
120.04498	0.7
121.06505	10.0
122.03659	42.7
122.07290	100.0
123.04034	1.3
123.07631	2.2
135.04425	0.9
135.08076	3.7
137.02495	4.1
137.04881	1.7
137.05986	74.3
137.09619	92.8
137.13269	2.0
138.05476	1.7
138.06375	1.6
138.09085	1.5
138.10011	1.7
152.25090	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02365	1.5
52.57313	0.9
53.03716	1.1
53.03941	8.1
55.01858	3.9
55.05512	35.7
57.03426	2.2
57.07069	2.0
65.03938	13.1
66.04724	7.1
67.05506	100.0
69.00287	1.1
69.03444	5.4
69.06762	1.1
69.07069	10.6
69.40588	9.3
74.68230	1.1
76.46833	1.0
77.03943	2.0
79.05492	22.5
81.03425	12.8
81.06592	2.3
81.07059	42.6
82.06530	1.2
83.04988	2.2
91.05485	41.3
92.04988	4.0
92.05798	2.4
93.07044	23.5
94.04191	49.7
94.06564	2.0
95.04383	1.7
95.04975	28.2
95.08608	41.8
96.04508	2.7
105.04496	3.4
105.07032	3.9
107.04964	6.4
107.08594	16.7
109.02851	1.8
109.06516	18.9
109.09377	2.1
109.10157	40.5
110.06037	4.2
110.10487	1.4
111.08158	1.2
117.07003	3.3
119.04931	5.3
119.06049	1.6
119.08579	12.9
120.04474	3.1
122.03654	60.0
122.07280	13.7
123.06805	1.4
135.08098	1.1
137.02457	14.4
137.03464	2.4
137.05974	90.1
137.09621	50.9
137.10651	1.8
137.13228	1.3
138.01826	2.0
138.05475	6.5
138.06326	2.0
138.09140	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02386	0.8
55.01867	1.1
60.82704	0.9
65.03937	1.5
66.04725	9.1
77.03939	1.0
79.05491	4.4
81.07055	2.8
91.05488	2.8
94.04192	57.8
95.05002	1.4
105.03377	1.1
105.04498	1.1
107.04938	2.0
108.56181	0.8
109.06499	1.2
122.03655	78.8
123.03951	1.8
135.04404	1.4
137.05989	100.0
138.06300	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	1.4
53.03949	14.1
55.01876	11.9
55.05515	7.3
57.07071	6.9
65.03935	3.0
66.04697	3.9
67.05509	42.0
68.99780	3.0
69.03422	2.5
69.07069	9.9
71.01345	3.9
71.51598	1.7
77.03941	1.6
79.05496	15.7
81.02934	2.3
81.03422	56.9
81.07059	72.3
88.33604	1.4
91.05479	16.2
93.07053	12.6
94.04180	20.6
95.04947	5.7
95.08611	100.0
96.04483	2.6
97.79113	1.5
107.01315	9.5
107.04937	2.9
109.02872	6.3
109.06541	7.5
109.10159	11.1
119.04888	2.8
119.08543	4.0
122.02868	1.9
122.03654	22.5
122.07256	5.0
127.03932	11.8
129.18942	1.3
137.02322	90.6
137.03444	65.9
137.05954	42.6
137.06834	0.9
137.09613	14.5
137.10608	2.5
137.13277	10.3
138.05502	4.1
153.17792	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02394	0.8
53.03964	1.7
54.92356	0.5
55.01894	1.9
57.07103	0.5
65.03944	2.5
66.04724	8.3
67.05506	3.7
69.03441	1.1
70.18127	1.9
76.01930	0.6
77.03941	1.1
79.05495	6.2
80.16109	0.5
81.00692	0.5
81.03438	0.9
81.07070	5.4
91.05492	6.9
93.07060	1.4
94.04193	54.6
94.06569	0.8
95.04453	0.8
95.04987	3.0
95.06029	0.7
95.08627	1.8
96.04479	0.6
105.03397	1.7
105.04520	0.7
107.04974	2.8
109.06532	2.5
109.10165	0.9
119.04936	1.0
122.03658	73.2
123.03998	1.1
135.04395	0.8
137.02565	2.6
137.05981	100.0
137.09604	2.4
137.10663	1.0
138.05478	1.3
138.06337	1.8
138.09119	0.8
140.18849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56397	0.3
53.03933	0.2
55.01869	0.6
56.96568	4.5
58.95416	1.1
58.99866	2.6
62.94863	0.2
67.05491	0.4
68.69186	0.2
69.03426	0.5
71.48945	0.3
73.02891	0.3
76.92861	1.1
76.96457	0.2
77.00902	1.0
78.52961	0.5
80.04999	0.4
81.03414	0.4
82.01437	1.1
84.96049	0.3
85.01404	1.3
90.51476	0.5
91.05498	0.4
92.02624	1.3
93.03411	0.3
93.05808	0.6
94.06571	0.3
94.90044	0.7
94.99815	1.5
98.97583	2.1
99.98032	0.7
100.02496	2.7
101.00864	1.3
101.02532	0.6
102.02233	0.5
103.02455	2.0
105.06995	0.2
108.08124	0.3
108.08905	0.2
108.19983	0.2
109.01122	0.2
110.52691	3.1
110.53390	0.4
111.02784	0.5
111.04452	0.3
113.00877	25.5
113.01590	1.4
113.51746	0.3
114.01011	0.7
115.01243	0.5
115.02437	0.5
116.46159	0.2
116.98621	0.9
117.99088	2.0
118.03529	1.1
118.06504	0.2
118.92096	1.0
119.01929	1.8
119.03585	0.4
119.53197	0.4
120.02087	0.3
121.03535	0.4
122.01353	0.3
122.02128	1.3
122.52260	0.4
124.02522	0.2
124.50015	0.3
124.52399	2.5
125.02509	0.9
125.52231	0.4
125.53139	0.2
127.02466	0.2
127.03864	0.3
129.00349	0.3
130.49283	0.9
131.01912	100.0
132.01964	2.7
133.02362	0.6
133.52933	1.2
134.03056	0.3
135.05052	0.2
136.00117	1.9
136.02206	3.1
136.06178	2.8
136.07597	1.3
136.93140	2.2
137.04544	0.2
138.03114	0.3
139.49692	1.1
142.03537	0.4
143.00253	0.3
145.03487	0.5
147.01418	0.7
149.02972	16.0
150.03050	0.5
154.03511	3.2
154.94185	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	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.2
53.03946	5.2
54.67193	1.1
55.05518	9.0
57.07064	1.9
65.03930	3.8
66.63000	1.0
67.05500	3.1
69.07069	2.9
71.05693	2.5
71.90317	1.0
77.03900	1.4
79.05495	22.7
79.06207	1.2
81.07048	3.1
91.05492	56.0
92.06281	1.7
93.07050	52.9
93.07643	2.6
94.07363	1.8
95.04973	5.9
103.05449	1.7
105.04494	3.3
105.07039	32.7
106.04197	1.4
106.07822	1.2
107.08604	100.0
108.08956	2.5
109.06521	5.2
116.31363	1.0
117.07021	3.4
119.06068	5.8
119.07809	1.8
119.08588	24.2
120.09381	7.3
129.17113	1.0
133.10121	1.9
135.08073	1.0
135.10698	2.1
135.11699	34.4
136.02229	1.3
136.12086	1.3
147.09149	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03943	5.7
53.90320	0.6
55.05516	6.3
57.07080	1.7
65.03946	2.4
66.42595	0.6
67.05515	2.5
69.07069	1.9
69.44771	2.6
69.45206	2.4
70.12301	0.6
70.88249	0.6
77.03934	1.7
79.05499	16.2
81.07064	2.6
91.05486	50.3
93.07047	50.1
94.07854	0.9
95.04988	5.2
95.08627	1.0
98.20783	1.4
104.06292	1.4
105.04519	2.2
105.07039	26.6
106.04194	0.9
107.08598	100.0
108.08929	2.0
109.06544	5.9
115.05424	0.9
117.06985	3.3
119.06084	6.4
119.08589	22.3
120.09382	5.6
133.10112	1.6
135.11694	37.2
136.11954	0.9
137.09592	0.8
147.09145	1.0
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	Unknow
Peak:m/z	Relative Intensity
52.25361	1.1
53.03949	8.1
55.05514	9.3
55.70555	1.7
57.07064	1.9
65.03926	3.6
67.05489	2.0
69.07054	1.8
70.29269	1.3
70.95380	3.3
77.03912	2.3
79.05500	25.7
81.07069	5.4
91.04919	2.3
91.05489	58.0
93.07050	58.3
95.04965	5.8
95.08612	1.5
103.05464	2.2
104.06228	1.9
105.04519	3.6
105.07044	28.2
107.08601	100.0
108.08914	1.4
109.06520	6.0
117.07018	3.5
119.06075	6.5
119.08577	21.3
120.09377	7.8
135.10699	2.5
135.11699	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03934	7.8
55.05515	14.3
59.93900	1.7
63.06669	1.7
65.03958	3.0
67.05480	3.8
68.65858	1.9
69.07064	4.1
69.39709	12.5
77.03908	4.0
79.05493	22.4
81.07044	5.8
91.05489	51.9
93.07043	65.1
94.07911	1.8
95.04967	6.1
105.04501	3.7
105.07027	25.0
107.08600	100.0
108.08872	2.6
109.06500	6.0
117.07059	2.0
119.06118	3.9
119.08606	9.9
120.09419	2.6
135.11699	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02387	3.5
53.03952	29.1
55.05511	14.7
55.60097	1.5
57.07082	2.1
59.61035	1.7
62.88087	1.5
65.03942	3.0
67.05501	4.2
69.05690	1.5
69.07085	3.3
70.83403	2.7
77.03934	9.1
77.88393	1.5
79.05498	53.8
81.03445	1.8
81.07061	6.3
91.05488	60.3
92.02641	13.8
93.07052	97.3
94.07349	2.6
95.04972	20.2
102.81498	1.7
105.03401	2.6
105.04524	14.7
105.07039	20.0
107.04969	2.6
107.08601	100.0
108.08916	1.7
109.06518	5.1
117.07080	2.1
119.06070	4.4
119.08583	9.1
120.09390	2.4
135.04430	45.2
135.08090	2.0
135.11694	29.6
136.02156	1.7
136.04765	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03951	10.8
55.01866	1.0
55.05516	14.7
65.03945	3.0
67.05498	5.5
69.02322	0.8
69.07076	4.8
70.91557	0.9
70.91901	2.0
74.40212	0.8
77.03937	2.5
79.05498	35.8
81.07058	6.0
85.17989	0.9
91.05487	57.3
92.05808	1.2
93.07051	94.1
94.07357	1.2
95.04977	7.9
95.08604	1.5
103.05476	0.9
105.04537	4.6
105.07040	22.6
106.04160	1.4
107.04951	2.0
107.08601	100.0
108.08904	1.8
109.06528	6.7
117.07034	2.4
119.06048	4.5
119.08598	14.8
120.09364	3.1
129.41252	0.9
133.10127	1.2
135.04410	1.2
135.08092	2.2
135.11700	28.6
135.12740	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03954	9.6
55.01864	1.0
55.05513	11.9
57.07065	1.5
58.99546	0.9
65.03917	3.4
67.05515	4.9
69.03391	1.0
69.07051	4.1
69.25990	2.5
69.26409	6.5
77.03927	1.8
79.05496	28.3
81.07059	5.3
91.04906	2.3
91.05483	55.6
93.07047	67.4
95.04976	6.6
95.08625	1.5
98.20663	1.4
101.95913	1.0
104.06291	1.3
105.04507	3.5
105.06326	1.4
105.07036	26.7
106.87513	1.0
107.04945	3.2
107.08598	100.0
108.08907	1.6
109.06519	5.6
115.05486	2.5
117.07008	3.2
119.06090	6.0
119.08591	12.8
120.09343	4.5
133.10100	1.7
134.89246	1.0
135.04390	3.5
135.08067	6.2
135.10706	2.1
135.11699	29.9
136.02142	3.6
136.06168	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.1
55.05513	8.1
57.07066	2.0
59.77931	1.0
65.03931	3.3
65.24303	1.0
67.05496	4.2
69.07069	1.7
71.40858	2.2
77.03918	2.2
79.05079	1.3
79.05502	23.3
81.03395	1.3
81.07060	1.5
91.05486	67.8
92.05791	1.5
93.07050	45.7
94.07413	1.1
95.04964	6.2
95.08589	1.2
103.05465	1.5
105.04501	3.4
105.07040	32.0
106.04164	1.6
107.04956	2.7
107.08602	100.0
108.08937	1.9
109.06522	8.3
115.05442	1.3
117.06994	3.6
119.06062	7.7
119.08588	17.2
120.09387	7.1
133.10132	1.4
135.04414	2.5
135.08063	9.3
135.11702	25.0
136.02243	1.4
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	Unknow
Peak:m/z	Relative Intensity
51.02373	1.2
53.03951	11.0
55.05516	13.3
57.07060	1.2
63.41254	0.9
64.36148	0.9
65.03923	3.3
67.05511	4.3
69.07078	5.4
69.16521	8.7
77.03919	3.1
79.05497	44.4
81.03406	1.0
81.07047	7.1
82.72293	1.0
91.05486	64.5
92.05797	1.2
93.07048	95.6
94.07350	1.9
94.07858	1.7
95.04971	11.0
105.04511	5.3
105.07035	22.1
107.04958	2.1
107.08598	100.0
108.08919	1.4
109.06528	6.0
115.05517	1.2
117.07014	2.2
119.06114	4.8
119.08597	10.1
120.09357	3.1
133.10097	1.1
135.04391	2.5
135.08035	2.7
135.11694	27.2
136.02139	2.1
136.06232	1.2
142.91228	0.9
151.30771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.1
55.01873	2.2
55.05305	1.0
55.05515	10.3
57.07064	1.7
59.04285	1.1
59.22565	1.3
65.03936	4.2
65.06090	1.0
67.05506	5.0
69.07077	3.1
69.38943	9.7
76.24757	0.9
77.03929	1.8
79.05502	33.1
81.03423	1.7
81.07057	4.3
81.14808	1.2
91.05492	63.8
93.07055	76.1
95.04972	7.0
96.05265	1.1
98.20724	1.1
105.04521	3.9
105.07044	24.5
106.07843	1.8
107.04946	2.0
107.08604	100.0
108.08948	3.0
109.06547	5.2
115.05435	2.6
117.07026	3.4
119.06088	6.3
119.08595	13.1
120.09367	4.7
130.44731	1.1
133.10098	2.1
135.04434	1.4
135.08078	6.0
135.11702	32.1
136.06190	1.6
139.29849	1.0
145.69524	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
50.01587	1.0
50.25611	0.5
50.92211	0.5
51.02380	4.5
53.03950	36.5
55.01873	2.9
55.05504	1.8
57.66336	0.8
63.02380	0.6
65.03937	0.7
67.05482	1.6
68.04291	0.6
69.07040	0.8
70.68523	0.7
70.95888	1.0
77.03933	12.2
79.05498	22.6
81.03425	4.0
81.07059	1.5
86.50533	0.7
88.53097	0.6
91.05489	13.0
92.02628	22.6
93.07045	9.8
95.04971	38.4
105.03434	5.5
105.04516	21.0
105.07038	5.2
107.04956	6.2
107.08595	17.2
109.06509	1.0
113.51398	0.6
115.05460	1.2
117.07006	1.3
119.06043	1.1
119.08556	3.0
120.02082	4.0
120.09315	1.0
135.04419	100.0
135.08000	3.3
135.11710	5.1
136.02167	1.6
136.04765	1.6
136.06186	1.0
136.07552	1.4
138.03122	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03941	7.9
55.01880	14.0
55.05508	2.5
56.37632	0.8
65.03939	10.4
66.44460	0.8
66.50415	0.9
67.05502	8.0
69.03441	10.9
69.07056	1.3
69.17165	5.1
69.17587	4.6
75.97192	0.9
79.05499	52.0
80.05027	1.7
80.88060	0.8
81.03403	1.0
81.07060	2.2
91.05486	100.0
92.02645	1.6
92.06267	2.3
93.05783	1.0
93.07046	18.6
95.04970	7.8
103.04890	0.9
103.05535	1.1
105.04519	3.5
105.07037	35.5
107.04967	8.3
107.08601	53.3
108.04469	1.5
108.08899	1.1
109.01128	2.3
109.06528	8.7
115.05465	28.4
117.07018	18.8
119.03561	1.3
119.06080	9.3
119.08580	3.7
120.05755	2.1
135.04430	10.4
135.05545	2.6
135.08073	37.1
135.09073	1.7
135.11664	7.1
136.02177	19.4
136.03915	2.3
136.06190	16.4
136.07547	1.6
137.04520	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.045
Annotation	L-Aspartate
Peak:m/z	Relative Intensity
53.03948	1.2
55.01873	1.9
55.05485	1.6
56.05030	4.1
56.96561	3.6
57.03432	3.6
58.06591	2.7
69.03400	1.5
69.53831	5.9
70.02957	4.8
70.06589	4.0
71.04993	2.1
72.08167	12.1
72.52953	1.2
73.02909	3.0
74.02445	100.0
74.06090	6.5
79.05486	4.9
80.05054	1.2
85.53722	1.3
86.52699	2.8
87.02759	1.1
88.02674	1.4
88.03996	53.6
88.07617	2.7
90.09200	9.6
91.05480	2.0
95.04984	1.7
98.06083	1.9
98.21551	2.0
100.02493	4.7
101.00904	4.2
102.02428	2.4
102.09169	2.0
105.07032	1.3
106.06561	4.7
106.07365	4.0
107.04958	2.3
111.02934	2.6
116.03472	2.3
116.07088	2.3
119.01933	8.5
124.02476	2.8
131.01904	3.4
134.04510	1.8
134.06026	10.6
134.07045	2.1
134.09653	3.2
134.11771	21.0
135.04410	2.9
142.03496	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	134.0452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52766	2.1
56.96552	9.7
57.03424	12.1
58.99892	2.4
60.95107	2.4
65.31387	1.9
69.03436	4.3
70.02943	6.1
70.50639	7.0
71.00692	4.3
71.14284	2.4
71.39884	4.8
72.52977	2.3
73.02915	2.4
74.02448	96.6
74.93156	7.7
75.04478	2.2
79.02152	2.9
79.51181	23.4
80.01223	5.2
80.51046	4.8
82.01450	7.1
82.99791	3.2
84.52957	2.6
86.52692	4.1
88.02694	7.6
88.03487	4.0
88.03999	46.1
88.51145	3.3
88.51702	46.4
89.01720	9.0
89.51577	7.5
93.01881	2.5
97.52207	4.0
98.97585	9.6
99.53455	2.4
100.02493	20.2
100.52514	4.6
101.00872	16.2
101.47895	2.3
102.02406	5.6
107.98185	4.9
108.98038	3.6
110.48447	3.3
113.00879	3.5
114.04034	2.4
115.02415	3.8
116.98689	15.7
117.48775	6.5
117.98603	3.3
118.03537	2.8
119.01915	24.5
119.48983	12.9
119.99049	5.2
120.02015	4.7
120.48804	3.7
120.97972	2.9
121.01556	3.2
124.02450	7.3
125.99238	15.7
126.49226	3.4
128.49504	73.0
128.99547	17.9
129.49377	24.6
131.01880	6.2
133.03619	2.4
134.04617	2.3
134.05998	2.1
137.03008	2.3
137.50024	100.0
138.00055	28.8
138.49895	32.4
140.00262	11.0
141.02895	2.3
142.03548	16.7
144.03258	3.0
149.00790	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	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.7
56.05033	7.3
56.96560	13.4
57.03440	27.9
57.23175	2.7
58.06583	4.8
58.67869	2.6
58.99841	3.6
68.02625	3.0
69.03432	16.0
70.02946	6.8
70.06573	8.8
70.98112	2.7
70.99847	4.6
71.04989	7.6
71.06182	6.5
72.08156	22.7
73.02914	24.6
74.02444	100.0
74.06065	11.7
77.00875	3.0
77.68884	2.9
79.02176	5.8
79.05470	8.0
81.03406	4.2
82.01450	14.2
82.99844	6.5
84.52950	8.5
85.02934	6.0
86.51842	3.2
86.52702	15.5
88.02690	13.0
88.03990	49.6
88.07635	6.2
88.52857	3.1
89.00873	3.6
90.09206	16.1
93.01881	9.3
93.53445	4.3
97.02839	3.1
98.06072	3.9
99.53445	3.7
100.02483	22.6
101.00891	40.6
102.02413	17.0
102.09200	4.0
106.06532	8.3
106.07345	7.3
111.02902	17.8
113.00851	7.7
115.02408	4.0
115.62353	3.1
118.03526	7.3
119.01932	33.8
120.02010	4.2
124.02477	20.9
129.03979	4.3
131.01936	13.5
134.06006	8.7
134.07121	4.8
134.11760	38.4
142.03511	40.0
143.01892	4.8
143.03644	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03953	1.7
55.05504	1.6
63.37744	0.3
69.86619	1.8
77.03915	0.9
79.05503	6.1
79.10930	0.3
86.95695	0.3
91.05489	19.9
92.06276	0.5
93.07056	6.5
95.04973	1.6
98.21436	0.6
103.05465	3.0
105.07035	51.8
106.07367	1.3
107.08584	1.5
115.05457	5.3
116.06247	0.9
117.07021	6.9
118.07817	6.4
129.07043	0.7
131.08575	6.0
133.06496	1.1
133.10138	100.0
134.10461	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	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.1
55.05516	3.3
62.15526	0.4
65.03967	0.5
67.05505	1.2
70.80585	1.2
77.03934	1.1
77.68504	0.4
79.05502	9.3
81.91183	0.4
91.05486	25.2
93.07051	6.8
95.04971	1.3
103.05473	5.3
105.07037	73.4
106.07367	1.3
107.08603	1.6
115.05466	8.9
116.06234	1.5
117.07035	10.0
118.07809	11.4
128.01648	0.4
129.06995	1.2
131.08577	8.2
133.06459	1.5
133.10138	100.0
134.10448	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	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03941	1.6
55.05521	3.4
56.51423	0.4
64.86884	0.4
65.03941	1.2
67.05502	0.7
69.04330	0.4
69.70055	2.3
77.03912	0.6
79.05498	10.6
82.00625	0.4
91.05486	30.3
92.05807	0.5
93.07043	7.5
95.04992	1.5
98.21707	0.5
103.05473	5.7
105.07036	80.2
106.07362	0.9
106.98711	0.4
107.08587	2.4
115.04695	0.8
115.05457	10.4
116.06232	1.7
117.07020	11.4
118.07049	0.7
118.07819	12.4
129.07042	1.1
130.32042	0.4
131.08577	16.3
133.06494	2.3
133.10135	100.0
134.10442	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	133.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74348	0.4
53.03945	1.6
53.11807	0.3
55.01873	0.9
55.05518	2.6
61.35721	0.4
65.03941	0.7
67.05501	1.0
70.94396	0.5
70.94714	0.4
73.02856	0.3
77.03930	1.0
79.05495	10.5
91.05488	23.4
93.07052	5.9
95.04986	1.2
103.05474	5.8
105.07038	100.0
106.06750	0.4
106.07364	2.2
107.08578	0.8
115.05455	5.7
116.06264	0.8
117.07018	7.6
118.04175	1.0
118.07822	6.1
129.06972	0.7
131.08582	7.3
133.02867	0.8
133.06508	17.5
133.07442	0.6
133.10141	36.9
134.10460	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02384	0.6
53.03943	2.4
55.01872	1.0
55.05516	2.7
57.83759	0.6
67.05505	0.7
71.39217	1.1
77.03893	1.2
79.05501	11.4
79.05961	0.6
91.05489	21.2
92.05795	0.6
93.07061	6.0
95.04988	1.7
95.80923	0.5
103.05489	7.9
105.07039	100.0
106.07355	1.8
107.08646	1.2
110.40923	0.5
115.05459	7.8
116.06240	1.0
117.07031	7.4
118.07822	7.7
121.36245	0.6
129.07001	0.5
129.37910	0.6
131.08569	8.9
133.06509	24.6
133.10139	68.1
134.10458	1.1
143.38853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03938	1.7
55.01869	1.8
55.05500	1.4
57.80336	0.4
60.74981	0.4
65.03925	0.7
66.04724	1.0
67.05498	0.5
71.37254	0.6
73.83276	0.4
74.02397	0.4
77.03948	0.6
79.00738	0.4
79.05498	13.4
90.04703	1.4
91.05487	13.2
93.07050	4.2
94.04198	0.4
95.04969	1.6
103.05470	9.6
104.05773	0.4
105.07035	100.0
106.07375	1.5
107.04953	0.9
111.48766	0.4
115.05464	4.4
117.07063	2.1
118.04159	6.1
118.07777	2.0
121.16792	0.4
131.04929	0.7
131.08578	2.9
133.06502	43.7
133.10129	15.6
134.06895	0.7
137.24911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.03937	1.1
55.05518	0.7
56.36475	0.6
58.06593	0.7
61.20219	0.5
62.04987	0.6
69.07053	0.6
71.42014	1.4
72.93782	1.8
79.05501	3.5
79.13078	0.6
83.47540	0.6
84.08109	0.8
86.06059	1.2
86.09705	3.7
90.90383	4.5
90.94832	1.0
91.05500	5.8
92.05823	0.6
93.05780	1.0
93.07050	1.4
95.04907	0.6
103.05475	1.9
104.05018	3.3
104.05669	0.9
105.04597	0.7
105.07033	32.0
115.05459	19.7
116.05766	0.7
117.05767	55.7
118.06125	0.9
130.06519	8.7
131.07312	5.2
131.08524	1.3
132.04465	4.9
132.08096	100.0
133.06502	1.8
133.08446	1.9
133.10138	6.9
141.23611	0.6
143.06056	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	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
52.80008	0.2
53.03937	0.5
55.01850	0.4
55.05515	0.5
56.96571	5.9
57.03440	1.4
57.05807	0.8
58.06597	1.0
58.96159	0.3
59.05016	0.3
60.04557	0.3
60.95850	0.6
61.01143	0.3
61.02917	0.8
67.05506	0.3
69.03425	1.0
69.07072	23.3
69.43069	0.6
69.43484	1.2
69.96172	0.5
70.98119	0.8
71.95262	0.5
72.08191	0.3
73.02926	0.9
73.06541	0.5
77.00790	0.5
81.01061	0.5
81.03401	0.6
82.03728	0.3
83.59511	0.2
85.02911	0.7
86.09711	100.0
87.02689	0.4
87.10023	1.5
87.50144	0.2
87.70761	0.3
88.03555	0.2
89.00808	0.4
90.01561	0.4
91.00480	0.3
95.63586	0.3
95.74165	0.2
97.02895	1.1
98.97599	2.9
99.04419	0.3
100.02502	0.4
100.99181	0.3
101.00868	0.8
102.00946	0.4
102.96912	0.4
103.00682	0.4
105.07022	0.3
109.02903	0.3
110.97571	0.5
113.00932	0.4
114.09204	0.6
115.02443	0.4
116.02592	0.3
116.98666	0.8
117.02148	0.3
118.04131	0.4
119.00203	0.4
119.01943	0.5
119.03773	0.4
124.95467	0.4
131.96167	0.8
132.10233	0.6
137.04817	0.4
143.01909	0.3
144.02057	0.5
145.01689	0.3
149.97255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
56.96577	0.9
65.03940	1.3
69.82195	0.6
69.82496	3.2
70.03763	0.7
83.20582	0.5
84.08134	1.0
85.04841	2.4
85.08475	7.6
86.09738	1.0
87.36713	0.6
88.23492	0.6
88.61018	0.5
91.05486	100.0
92.05837	1.4
95.04954	1.0
102.39803	0.5
102.87572	0.6
103.05471	25.3
104.05815	0.8
105.04465	0.5
105.07035	0.7
113.07965	2.1
115.05460	5.5
116.06248	23.2
117.06546	1.0
128.06216	1.7
129.07011	15.4
131.04924	4.9
131.08571	89.9
132.08937	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	131.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29650	5.2
55.05496	8.6
56.96566	50.5
57.03426	15.1
58.03773	5.6
58.06594	12.8
59.07370	4.9
60.05627	13.1
60.08160	6.3
61.02935	10.0
68.05012	8.6
69.03439	6.1
70.19318	18.2
70.19681	6.6
70.41576	5.4
72.04517	16.8
72.05649	24.3
72.08161	42.7
73.02918	16.2
84.04482	12.9
84.08139	23.3
85.02880	11.7
85.04440	5.7
85.04854	61.7
85.07943	7.4
85.08482	100.0
86.06067	24.1
89.90691	5.5
90.05563	11.6
97.02901	4.8
97.84006	4.8
98.01344	5.7
98.97593	32.3
101.00898	7.4
106.19645	4.8
107.48193	5.0
113.00930	6.3
114.06625	6.3
114.09164	28.4
116.98612	9.1
119.01876	10.0
120.05681	4.9
121.01718	5.5
124.51263	5.1
131.01917	10.3
131.09032	12.2
132.07645	7.5
132.10220	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	131.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.4
53.03951	3.7
55.01887	0.2
56.96576	0.2
57.03461	0.5
60.79777	0.2
65.03946	0.4
67.05511	0.2
69.03439	0.4
70.03761	0.4
71.01998	0.4
77.03931	1.3
81.03438	0.3
84.04527	0.3
84.08144	0.5
85.02918	0.4
85.04857	1.0
85.08478	2.4
85.20486	0.2
91.05492	23.1
92.05826	0.3
95.04968	3.5
98.97482	0.2
102.04685	1.3
103.05478	100.0
104.05799	1.9
105.04514	1.8
105.07055	0.5
113.07958	2.1
115.05472	4.3
116.06255	8.2
128.06261	1.0
129.07022	3.2
131.04945	11.5
131.06920	0.6
131.08571	14.9
131.16261	0.2
132.08891	0.4
133.57285	0.2
137.30716	0.2
143.06006	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	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.2
51.02386	0.5
53.03952	4.1
55.01866	0.3
56.96573	0.3
57.03440	0.3
57.85342	0.2
69.03453	0.5
69.92039	0.5
69.92434	0.4
70.03768	0.8
77.03932	1.4
81.03423	0.2
84.04518	0.3
84.08124	0.4
85.04855	0.6
85.08470	1.6
90.05948	0.2
90.90390	0.5
91.05487	3.9
95.04964	3.5
97.00412	0.2
98.97587	0.4
102.04690	1.0
103.05475	100.0
104.05802	1.6
104.52371	0.2
105.04520	2.3
113.07943	2.4
114.02644	0.2
115.05462	0.5
116.06259	1.4
117.22806	0.2
129.07001	0.5
131.04935	9.6
131.06902	0.7
131.08542	3.2
131.16266	0.2
132.05284	0.3
135.45461	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	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.3
51.02382	0.7
52.89638	0.1
53.03953	3.8
53.50678	0.1
55.76570	0.2
57.03429	0.2
61.81233	0.1
69.03439	0.4
70.03760	0.3
70.66384	0.4
77.03921	1.3
79.21548	0.1
81.03416	0.3
83.76158	0.2
84.08131	0.3
85.04846	0.7
85.08487	1.6
91.05489	4.3
92.05866	0.2
93.33243	0.1
93.87348	0.1
95.04976	3.4
102.04682	1.2
103.05475	100.0
104.05809	2.1
105.04522	2.3
113.07940	1.6
115.05475	0.4
116.06270	1.3
127.26616	0.1
129.07036	0.7
131.04941	9.8
131.06998	0.3
131.08554	3.5
132.08086	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	131.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01582	0.2
51.02388	0.6
53.03953	4.3
56.96561	0.3
57.03432	0.3
59.57994	0.2
65.03973	0.3
66.53796	0.2
67.05502	0.3
69.03429	0.6
70.03766	0.7
70.25250	0.2
70.80855	0.6
77.03918	1.3
81.03439	0.3
84.08150	0.6
85.02919	0.3
85.04839	1.2
85.07926	0.3
85.08482	2.6
86.09704	0.4
90.90335	0.3
91.05488	17.4
92.05806	0.4
95.04974	3.8
95.08647	0.2
98.97573	0.4
102.04677	1.1
103.05474	100.0
104.05800	1.7
105.04518	2.1
105.07014	0.3
113.02438	0.3
113.07957	1.9
115.05471	2.6
116.06242	6.4
128.06209	0.6
129.07013	2.5
131.04939	12.2
131.06917	1.0
131.08562	11.6
131.16310	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03155	0.5
53.03955	4.0
55.01867	1.4
55.05516	29.3
56.05039	5.1
57.03429	0.9
58.06623	1.0
64.04194	0.5
65.03925	0.7
65.35338	0.4
67.01916	0.6
67.05501	1.3
69.03433	4.2
69.05804	0.6
69.79526	2.7
70.02937	0.7
70.06599	7.3
71.04992	0.5
72.08141	0.7
73.96568	0.5
79.05070	0.8
79.05501	12.3
80.05027	2.7
81.03418	5.2
81.07059	35.7
82.07388	0.5
83.07372	1.1
83.08147	0.8
83.08623	10.6
84.04501	3.5
84.08144	2.4
91.05491	3.0
93.05782	3.9
96.04508	5.0
96.08144	0.6
97.04651	1.1
97.05283	23.4
98.06067	15.4
98.06786	0.8
98.09109	1.0
98.09699	11.8
99.04460	1.5
108.02130	0.8
108.04482	3.1
108.08131	18.5
108.08879	0.9
109.02890	5.3
109.06523	31.5
111.06837	1.5
126.03160	2.3
126.05567	3.7
126.09163	100.0
127.03915	8.6
127.09496	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	130.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.6
56.05039	6.0
57.07079	21.6
58.39209	0.4
67.05500	0.9
68.05022	0.5
69.03433	17.1
69.07070	1.9
69.58079	3.0
70.06592	1.6
71.04987	0.9
74.09724	13.3
79.38782	0.6
82.06579	1.3
84.04512	31.5
84.08150	100.0
85.08467	1.1
89.90686	1.0
91.05499	2.1
91.99173	0.5
93.12785	0.5
98.21483	1.0
103.05473	7.7
105.04507	0.5
112.07613	35.7
116.06279	0.8
130.04991	1.4
130.05528	0.6
130.06540	16.4
130.08650	17.6
130.15929	25.4
130.90662	0.4
131.04932	1.3
131.08560	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0314
Annotation	D-(1-Aminoethyl)phosphonate
Peak:m/z	Relative Intensity
50.01596	2.9
51.02380	2.7
52.02948	0.9
52.03169	13.2
53.03952	5.1
54.55989	0.9
55.01881	4.4
55.05498	2.2
55.70532	0.9
56.05048	1.1
57.03443	1.4
65.03947	0.8
67.05539	1.1
69.03433	2.1
69.29162	0.8
70.06595	2.1
70.89976	2.5
71.04984	1.9
79.05473	1.1
80.02634	7.0
80.05023	7.2
81.03426	13.1
81.07072	2.9
82.06605	1.2
83.79034	0.7
84.04517	1.9
84.08143	2.3
95.01318	0.9
97.05293	1.0
98.03713	6.2
98.06042	3.3
98.09692	1.1
100.20600	1.0
101.79268	0.8
106.93272	0.9
108.02119	50.3
108.04490	7.7
108.08109	2.1
109.02898	15.1
109.06533	2.3
121.01685	1.1
126.03147	100.0
126.05528	7.8
126.09175	7.3
126.12804	3.5
127.03954	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	124.076
Annotation	1beta-methylcarbapenem
Peak:m/z	Relative Intensity
51.02369	1.0
53.03952	6.7
54.03479	0.8
54.04276	1.5
55.01867	2.1
55.05510	6.2
56.05031	1.4
56.40368	0.7
65.03940	2.2
67.05504	3.6
68.05031	10.6
68.05838	2.8
69.03416	2.3
69.07061	2.5
69.95159	3.4
71.01345	1.4
73.19040	0.7
75.90366	0.8
77.03983	0.8
78.03466	7.1
78.04266	0.9
79.01849	1.6
79.05496	50.5
80.05022	26.6
80.05811	3.1
81.03448	1.3
81.05371	4.5
81.05799	58.9
81.07061	20.6
82.02934	1.2
82.06174	0.8
82.06588	3.9
82.07385	7.1
82.99838	0.8
83.05000	2.0
94.02936	1.1
94.06577	6.8
95.04980	4.9
95.07369	0.7
96.04498	74.6
96.05282	6.5
96.08134	67.9
96.08761	1.3
96.09010	1.1
96.20351	0.7
97.02887	9.5
97.04826	1.8
97.06554	1.8
97.08472	0.8
100.02467	1.0
101.00883	12.5
101.02596	2.2
105.04556	1.6
106.04895	0.8
106.06564	24.9
106.59340	0.7
107.01307	0.9
107.04971	2.4
109.05265	2.2
112.03971	16.4
119.01929	51.7
120.02059	0.8
124.03965	100.0
124.04768	8.2
124.05897	13.1
124.07593	93.3
124.08348	3.6
124.11234	1.1
124.12083	2.5
125.02370	3.2
125.04319	1.3
125.06023	2.0
125.07908	1.5
125.09624	1.7
137.02979	16.4
140.03413	7.9
142.03497	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	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78700	0.2
53.39397	0.3
56.96593	0.3
58.99871	0.7
60.95859	0.3
62.36778	0.2
70.94598	0.3
70.94955	0.6
70.99859	1.7
71.73724	0.2
77.81673	0.2
78.03474	0.4
80.05016	0.7
81.05361	0.4
82.01439	0.8
82.99850	8.0
83.01520	0.9
83.99921	0.3
84.01208	0.5
87.10383	0.2
89.00879	0.6
96.04530	0.7
97.02843	0.3
100.02522	1.3
101.00887	60.8
101.02538	1.7
102.00953	1.7
102.02219	0.7
109.75797	0.3
111.00441	0.7
119.01927	100.0
120.02026	2.8
121.02429	0.5
124.02506	1.2
124.03967	2.7
124.05899	1.1
124.07551	0.4
137.02966	15.9
137.32599	0.3
138.03070	0.5
142.03519	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96579	0.5
57.03447	0.4
58.55701	0.2
58.99863	1.7
61.02923	0.2
69.03426	0.4
70.80294	0.2
70.99861	5.6
71.20200	0.5
77.00916	1.2
78.03458	1.0
80.05023	3.7
81.03407	0.2
81.05357	1.0
82.01447	1.3
82.99848	6.3
83.01495	1.4
84.01205	0.7
85.02894	0.2
89.00900	2.3
93.52580	0.2
95.01926	0.4
95.19832	0.2
96.04500	2.9
97.02905	0.4
100.02488	1.6
101.00890	56.5
101.02535	3.0
102.00952	1.3
102.02254	1.2
102.96841	0.2
103.00635	0.6
103.01300	0.2
107.01925	0.3
111.00445	0.4
117.02278	0.2
118.03527	0.6
119.01929	100.0
120.01998	2.4
120.03275	0.4
121.01670	0.6
124.02477	1.3
124.03961	17.9
124.05879	2.5
124.07652	0.2
124.08745	0.3
125.04288	0.3
131.01868	0.3
133.01675	0.6
133.03438	0.3
137.02966	15.3
138.03123	0.4
140.03371	0.3
142.03511	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11682	0.2
69.61303	0.2
70.92258	0.8
70.92612	0.3
76.30748	0.2
82.01446	0.7
82.08341	0.3
82.99848	6.7
83.01542	1.1
84.01166	0.3
90.54178	0.3
100.02489	1.1
101.00890	54.0
101.02551	1.8
102.00989	1.3
102.02238	0.5
111.00478	0.4
119.01929	100.0
120.02004	3.2
121.02299	0.5
124.02478	1.2
137.02966	15.4
138.03091	0.4
142.03511	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	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.2
53.03952	6.1
55.01878	2.0
55.05512	5.9
56.47519	0.6
57.07076	4.5
60.20040	0.7
60.88464	0.7
65.03936	2.1
67.05508	28.1
68.98306	0.8
69.03436	0.8
69.07073	2.6
69.85229	1.3
69.85641	2.5
70.86840	0.7
75.73194	0.6
76.34257	0.8
77.03931	2.0
78.03472	3.8
79.05495	22.6
80.04571	1.5
80.05023	23.9
81.03424	1.1
81.07061	100.0
82.01451	2.2
82.07400	1.4
93.07047	3.6
94.07851	1.0
95.04975	25.8
95.08613	22.3
96.04500	17.8
98.21423	1.1
100.02481	7.0
104.63074	0.7
105.04523	2.1
105.07018	2.9
106.02966	1.7
107.04950	1.2
108.05757	5.4
108.09418	1.0
112.03951	1.4
118.03529	3.6
121.10143	1.5
123.04448	9.7
123.05546	54.6
123.08070	26.9
123.11720	20.2
124.03963	10.7
124.05878	0.9
130.69652	0.6
133.65596	0.7
137.19627	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Santene
Peak:m/z	Relative Intensity
51.02374	0.4
53.00333	0.3
53.03945	3.1
55.01880	0.4
55.05517	4.7
57.07081	5.3
65.03955	1.5
66.04723	0.5
66.37679	0.3
67.05511	16.8
69.03395	0.3
69.07069	2.9
69.96684	0.8
69.97076	0.8
77.03944	0.6
78.03451	1.5
79.05498	17.3
80.05020	9.2
81.03439	0.5
81.07062	100.0
82.01440	0.9
82.07405	0.9
88.17308	0.3
91.05489	0.4
93.07043	2.8
94.07841	0.9
95.04983	8.1
95.08614	16.6
96.04498	6.4
98.20838	0.6
100.02495	2.2
105.04513	0.6
105.07021	1.0
106.02896	0.8
108.05746	1.6
108.09357	1.2
112.03957	0.8
118.03509	0.8
121.06503	0.4
121.10140	1.7
123.04456	3.2
123.05554	17.2
123.08075	5.8
123.09084	0.6
123.11712	21.2
124.03951	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	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51826	0.5
51.02384	0.9
53.03952	7.6
55.01878	2.3
55.05512	7.8
57.07079	4.1
64.75793	0.6
65.03946	4.3
66.04684	0.6
67.05511	38.1
69.03440	1.3
69.07074	2.6
71.51141	0.7
77.03961	1.3
78.03467	3.5
79.05496	22.1
80.05022	34.1
81.03426	1.6
81.07063	100.0
82.01453	2.7
82.07400	1.5
82.80486	0.5
91.05482	1.7
93.07051	6.0
94.07834	0.7
95.01331	0.7
95.04982	31.8
95.08616	30.7
96.04501	20.3
100.02493	9.9
103.05448	1.2
105.03404	1.6
105.04543	2.9
105.07030	4.8
106.02922	1.7
106.73992	0.5
107.04973	1.5
108.05747	9.1
112.03958	1.5
118.03534	4.5
119.01933	2.0
121.06496	1.0
121.10136	1.3
123.04448	15.5
123.05553	71.7
123.08074	48.7
123.11710	17.1
124.03967	13.2
124.05943	1.2
124.07616	1.3
124.08417	1.2
137.02925	0.8
140.03374	0.6
143.91870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.5
53.03950	7.0
55.01873	1.7
55.05516	5.4
57.07071	5.4
58.40692	0.6
60.14530	0.7
65.03944	2.7
65.06686	0.6
67.05509	23.1
69.07063	3.3
69.54549	1.7
69.54959	2.5
71.25179	0.7
72.86066	0.6
77.03932	2.0
78.03467	2.2
78.52266	0.5
79.05498	18.1
80.04571	1.4
80.05021	17.2
81.03429	1.4
81.07059	100.0
82.01446	1.8
82.07394	1.3
91.05494	0.7
93.07047	2.4
94.07830	1.7
95.04977	26.6
95.08612	15.3
96.04503	11.5
96.05164	0.8
98.21510	0.7
100.02486	3.5
101.00864	1.1
102.34212	0.6
105.03386	2.8
105.04519	1.7
105.07006	1.4
106.02905	1.0
108.05761	1.1
108.09353	1.1
112.03955	0.7
118.03503	1.1
119.01939	1.7
123.04446	23.9
123.05558	39.1
123.08058	9.1
123.11714	21.3
124.03970	6.9
124.07598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.3
55.01871	1.7
55.05516	13.6
57.07082	4.8
65.03954	3.1
67.05510	51.7
68.05853	0.7
69.03441	1.1
69.07060	2.7
71.40804	0.7
77.03912	1.1
78.03465	1.2
78.04328	0.5
79.05499	20.3
80.05021	10.1
80.06303	0.7
81.03432	1.0
81.07060	100.0
82.01457	1.0
82.07420	1.2
91.05505	2.1
93.07053	9.0
94.07848	1.4
95.04977	13.9
95.08611	50.1
96.04484	5.0
100.02502	1.8
101.27182	0.5
105.04533	1.0
105.07038	4.2
106.02937	1.1
107.04963	1.6
108.05751	11.4
108.09379	1.3
121.06500	1.5
121.10159	1.6
123.04446	5.0
123.05564	19.5
123.08078	27.8
123.11710	22.9
123.12600	1.2
124.03970	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	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03952	6.1
55.01863	0.9
55.05516	12.0
56.64030	0.7
57.07085	6.4
65.03935	1.6
67.05510	46.6
69.03436	1.2
69.07056	2.9
69.43645	6.0
77.03941	0.9
78.03490	0.9
78.16719	0.7
79.05499	25.0
80.05020	5.0
80.06283	1.6
81.07063	100.0
82.07380	0.9
86.93774	0.7
91.05499	1.7
92.41302	0.9
93.07051	10.9
95.04980	10.3
95.08612	52.8
96.04503	3.2
96.08906	0.9
103.05479	1.9
105.04510	1.7
105.07044	12.1
107.04971	5.9
108.05750	30.6
108.09379	1.2
121.06527	4.5
123.04565	1.2
123.05585	12.7
123.08075	89.6
123.11719	24.5
124.03951	2.5
124.08424	1.5
125.58665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02381	1.3
51.65524	0.7
53.03951	9.2
55.01865	2.8
55.05264	1.3
55.05513	14.1
57.07070	3.7
64.39552	0.8
65.03945	4.5
67.05507	55.4
69.03426	1.4
69.07056	3.6
70.90874	2.3
77.03927	2.4
78.03465	4.5
79.05497	24.8
80.05022	44.1
80.06268	1.4
81.03416	2.5
81.07060	100.0
82.01443	2.6
83.08595	0.9
87.24504	0.8
91.05486	3.3
93.07049	11.1
94.07853	0.9
95.04977	40.4
95.08611	47.2
96.03905	1.7
96.04501	24.0
96.05128	1.5
100.02479	8.0
103.05476	1.8
105.04522	3.7
105.07032	9.2
106.02920	2.9
107.04993	4.6
108.05740	19.2
108.09350	1.0
112.03963	2.3
118.03545	4.4
119.01939	1.0
121.06499	3.3
121.10099	0.8
123.04457	13.8
123.05558	91.6
123.08070	69.7
123.08945	1.6
123.10826	1.3
123.11703	21.4
124.03951	17.2
124.07550	1.4
124.08424	1.5
127.34803	0.9
140.03430	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02388	1.3
52.28142	0.6
53.03952	7.4
55.01870	2.8
55.05513	24.0
57.07076	5.4
64.62119	0.5
65.03939	5.2
67.05508	88.3
68.05857	0.8
69.03430	2.1
69.07069	3.5
70.27477	0.7
70.98982	0.9
77.03938	2.2
78.03459	2.8
79.05497	24.7
80.05020	21.8
80.06273	2.1
81.03421	2.7
81.07059	100.0
82.01448	2.3
82.06575	1.5
82.07404	1.4
91.05479	4.4
93.07050	15.4
94.07833	1.4
95.04974	31.3
95.08611	80.1
96.04501	12.8
96.08137	0.7
96.08936	0.9
100.02497	5.1
101.00864	0.9
103.05434	1.0
105.03416	1.0
105.04515	2.4
105.07045	8.8
106.02913	1.8
106.06523	0.9
107.04948	4.2
108.05746	20.8
108.09420	0.6
109.87328	0.6
112.03976	1.2
118.03526	1.8
119.01920	1.5
121.06498	3.1
121.10163	1.2
123.04442	13.1
123.05550	49.4
123.08071	52.2
123.11707	20.3
124.03962	9.3
124.07582	2.5
124.08379	1.0
140.03279	0.6
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	Unknow
Peak:m/z	Relative Intensity
53.03951	5.7
55.01878	1.2
55.05515	10.1
57.07084	4.5
58.89849	0.5
65.03945	1.6
67.05511	42.4
69.03426	1.2
69.07077	1.9
71.00809	1.4
72.09624	0.6
77.03941	1.3
78.03461	2.3
79.05500	23.8
80.05025	16.8
80.06283	1.5
81.03456	1.4
81.07065	100.0
82.01448	1.5
82.07390	1.4
91.05477	3.3
93.07057	8.1
94.07820	1.1
95.04976	16.7
95.08615	46.3
96.04504	11.9
100.02509	3.0
103.05486	1.9
105.03393	0.8
105.04518	2.5
105.07037	12.3
106.02910	1.3
107.04971	5.4
108.05751	28.6
108.09388	0.9
112.03955	1.4
114.20647	0.6
118.03533	1.8
121.06509	4.7
121.10156	1.2
123.04463	5.1
123.05567	37.3
123.08078	75.3
123.11708	21.7
124.03957	9.3
124.08418	1.3
140.03401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
53.03949	5.4
55.01874	1.4
55.05238	0.5
55.05513	9.5
57.07081	4.8
63.04867	0.4
65.03948	3.4
67.05507	40.1
68.05013	0.8
68.05834	0.6
69.03427	1.2
69.07067	3.1
69.24048	0.4
69.37514	1.8
69.37941	1.0
77.03938	1.2
78.03467	2.8
79.05497	22.7
80.05021	21.4
80.06264	0.8
81.03434	1.9
81.07058	100.0
81.20080	0.4
82.01443	1.7
82.07395	1.3
90.04710	0.4
91.05488	2.2
93.07049	8.7
94.07851	0.7
95.04974	23.7
95.08609	40.2
96.04494	17.0
100.02493	5.7
103.05450	1.1
105.03406	0.9
105.04522	2.6
105.07031	8.6
106.02911	1.4
106.07373	0.6
107.04958	5.4
108.05746	23.5
108.09372	0.7
112.03973	1.3
118.03513	3.1
119.01894	0.5
121.06495	3.7
121.10127	1.8
123.04446	7.5
123.05548	39.9
123.08069	64.7
123.11703	20.5
124.03954	10.5
124.05913	0.4
124.07566	0.9
124.08385	1.0
138.73405	0.4
140.03430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0557
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
51.02365	0.2
53.03951	1.0
55.01877	0.2
57.03442	0.3
65.71262	0.2
68.05032	0.3
71.12420	0.4
73.02911	0.2
78.03463	3.8
78.52978	0.2
79.04251	0.2
80.05022	43.7
81.05360	0.2
82.01449	3.1
82.99849	0.4
89.28777	0.1
95.04977	0.2
95.06127	0.3
96.04502	10.9
100.02489	4.9
101.00284	0.3
101.00901	3.5
105.04519	0.5
106.02927	2.9
113.00931	0.2
113.53288	0.2
115.02485	0.2
118.03544	1.3
119.01936	6.0
123.05563	100.0
124.02464	0.2
124.03963	2.3
124.05949	1.0
131.01900	0.4
137.02953	0.8
142.03491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0443
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01606	1.0
51.02380	3.7
53.03949	10.2
53.70159	0.7
55.01869	4.6
56.43602	0.8
57.07062	1.2
63.56898	0.7
65.03940	5.8
67.05508	33.4
67.31647	0.6
70.28650	0.6
70.94328	1.6
77.03934	10.6
78.03439	2.0
79.05491	5.9
80.05020	15.0
81.03424	1.8
81.07060	20.1
82.01434	1.9
91.05455	0.7
95.04970	50.6
95.08614	4.9
96.04485	7.4
100.02464	3.2
105.03410	10.8
105.04516	6.2
106.02919	1.5
106.70406	0.7
108.05725	1.1
118.03530	1.4
119.01920	1.4
123.04432	100.0
123.05537	33.1
123.08037	5.1
123.11660	3.5
124.03957	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	123.0444
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02378	1.4
51.34677	0.3
53.03951	14.9
54.56297	0.3
55.01878	1.6
56.32622	0.3
56.73972	0.4
57.07069	0.3
59.43713	0.3
62.88083	0.3
65.03936	1.2
67.05508	7.4
70.67220	0.3
70.67583	0.8
77.03941	3.2
78.03462	1.4
79.05490	2.0
80.05023	13.0
81.03417	1.8
81.07064	5.5
82.01447	1.0
95.04975	100.0
95.08617	1.3
96.04498	4.2
96.05299	0.9
100.02537	1.7
101.00883	0.8
105.04519	7.5
106.02924	0.7
106.74533	0.3
107.58813	0.3
108.05775	0.4
113.53342	0.3
118.03521	0.6
118.40066	0.3
119.01910	1.6
123.04448	25.5
123.05563	26.7
123.08043	1.8
123.11719	0.7
124.03973	2.7
124.05912	0.3
124.07625	0.3
137.02997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03953	2.1
55.01869	1.1
56.96569	2.8
57.03434	0.9
59.05045	0.5
59.57338	0.5
65.03925	0.5
67.05507	2.4
68.05023	0.5
69.03437	0.4
70.99866	0.6
71.41801	0.6
78.03463	4.8
79.05478	1.3
80.05022	42.9
81.03419	0.8
81.05371	0.5
81.07052	3.2
82.01448	9.0
82.99848	1.0
83.01517	0.5
95.04976	8.8
95.08646	0.6
96.04499	13.7
98.97594	1.1
100.02493	17.3
101.00888	11.3
105.03444	0.5
105.04514	1.2
106.02947	2.2
112.04020	0.5
116.98650	0.5
118.03526	5.3
119.01930	26.7
123.05562	100.0
123.08045	1.5
123.11723	0.7
124.02483	0.6
124.03961	6.2
124.05918	1.0
124.07601	0.6
131.01970	0.6
137.02980	4.3
142.03503	1.7
142.83829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
51.02388	1.8
53.03951	17.0
53.04206	0.9
55.01873	3.4
55.05508	6.7
60.77495	0.6
65.03942	19.8
66.04288	0.6
67.05506	3.7
70.62331	1.4
70.62656	1.0
77.03930	3.4
78.04705	0.9
79.05495	56.0
80.05844	1.0
80.06270	1.5
81.03436	1.8
81.07053	2.5
91.05484	43.0
92.05844	1.3
93.07046	69.2
94.06583	1.1
95.04967	16.6
95.92677	0.8
103.05470	30.1
104.05809	1.8
105.04539	9.0
105.07035	100.0
106.07865	7.9
107.04930	1.1
111.04454	5.0
112.03911	0.8
119.07756	1.1
119.08578	16.1
120.05666	1.4
121.02859	23.6
121.03970	9.2
121.05692	1.0
121.06517	20.6
121.09360	2.3
121.10143	56.8
122.05997	1.6
122.09686	1.1
122.10471	1.5
123.08060	7.5
125.46754	0.6
133.07599	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	123.0444
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01606	0.4
51.02382	1.0
52.54337	0.3
53.03953	14.9
55.01876	1.6
55.05519	1.6
57.07084	0.5
57.52116	0.3
59.14941	0.3
65.03944	1.9
66.06787	0.3
67.05511	12.3
68.05853	0.3
70.75354	0.9
75.74483	0.3
77.03941	3.5
78.03458	1.3
79.05503	4.6
80.05025	13.8
81.03423	1.6
81.07063	18.9
82.01453	2.0
82.87841	0.3
91.05492	0.5
93.07052	1.3
94.04182	0.4
95.04977	100.0
95.08612	5.9
96.04501	5.5
96.05320	1.4
100.02504	3.9
103.05386	0.3
105.03427	0.5
105.04523	6.7
105.07030	0.7
106.02926	0.7
107.95590	0.3
108.05730	1.9
109.87642	0.3
112.04005	0.6
118.03534	1.2
119.01926	0.8
121.06556	0.4
123.04453	26.4
123.05570	28.7
123.08073	7.7
123.09069	0.5
123.11701	3.2
124.03978	4.3
124.04795	0.8
124.07593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.8
53.03287	0.9
53.03714	1.4
53.03952	22.7
55.01868	3.1
55.05515	7.1
65.03944	20.0
67.05496	4.8
69.52626	7.0
69.88591	0.9
71.01337	1.0
76.58892	0.9
77.03930	6.2
79.05499	61.6
80.05836	1.3
80.06279	1.3
81.03423	1.9
81.07063	2.4
91.05488	59.2
92.05806	1.4
93.07050	87.5
94.07384	1.7
95.04972	18.9
103.05484	36.4
104.05756	1.6
104.90692	1.0
105.04532	11.4
105.07037	100.0
106.07887	7.0
111.04456	6.1
113.77978	1.0
119.08597	14.6
120.05725	0.9
121.02877	27.0
121.03986	11.3
121.04742	1.8
121.06511	39.2
121.10149	59.7
122.06063	2.1
122.09598	1.2
123.08073	7.1
133.07626	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02377	1.3
53.03947	16.8
55.01864	2.0
55.05500	2.8
58.93615	0.8
65.03665	1.1
65.03948	13.3
67.05498	2.1
71.46970	2.1
77.03936	4.4
78.40917	1.0
79.05498	52.3
80.05817	1.1
81.03419	1.6
81.07054	1.8
91.05488	38.3
93.07051	57.4
95.04972	13.8
97.59781	0.9
103.05476	25.6
104.05780	1.1
105.04530	8.9
105.07038	100.0
106.07870	8.5
107.04998	1.1
111.04431	1.9
119.08586	15.2
120.05709	1.3
121.02874	16.1
121.03991	4.9
121.06516	23.5
121.08384	1.6
121.10154	50.2
122.06018	1.7
122.10442	1.1
123.08096	7.7
133.07620	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01604	0.8
50.62503	0.2
51.02379	2.3
53.03950	18.5
53.70019	0.2
55.01876	1.7
55.05517	1.9
65.03945	3.6
65.52724	0.2
67.05510	1.4
68.99789	0.3
70.83540	0.7
77.03931	4.3
78.04719	1.1
79.05498	12.2
81.03419	2.4
81.07069	0.5
91.05487	67.3
91.56310	0.3
92.05827	1.0
93.07048	100.0
94.06567	0.5
94.07400	1.5
95.04973	21.0
103.05473	13.1
104.05817	0.3
105.04526	12.2
105.07034	15.1
106.07845	1.4
111.04433	0.5
118.06577	0.3
119.08588	2.6
121.02908	3.4
121.04053	1.7
121.06512	26.4
121.10140	9.0
122.06048	0.4
123.08099	1.3
123.22337	0.3
133.06709	0.3
133.07617	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69926	0.5
51.02382	1.5
52.58325	0.5
53.03951	7.5
55.01878	3.9
55.05523	2.4
57.79374	0.5
65.03944	72.9
66.04268	1.4
67.05505	2.4
68.99803	2.8
69.03439	1.1
71.01355	2.2
71.51462	0.8
77.03932	1.4
79.01828	1.2
79.05499	21.3
81.03419	1.2
81.07051	1.2
91.05487	21.0
91.36707	0.6
93.03419	1.9
93.04508	0.6
93.07048	28.5
95.04967	6.5
97.02901	0.7
103.05470	13.2
105.04525	3.8
105.07037	29.7
106.07903	1.3
109.02906	1.8
111.04453	25.1
112.04803	0.5
119.08575	4.7
121.02902	100.0
121.04012	42.5
121.06500	12.9
121.10146	16.7
122.03202	1.0
122.06068	0.7
122.09695	0.8
123.08127	2.4
129.59862	0.6
133.07658	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	121.0287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.5
51.12412	0.6
51.86680	0.5
53.03952	3.0
55.01879	2.7
65.03944	75.4
66.04263	0.9
67.05509	0.7
70.62501	1.1
70.62850	1.3
77.03938	0.7
79.05497	3.3
80.02637	1.2
91.05484	8.8
93.03410	10.7
93.07050	9.5
95.04980	2.8
98.03686	2.6
103.05461	6.5
105.04554	1.8
105.07041	3.2
111.04442	10.1
121.02894	100.0
121.03995	24.1
121.06496	9.2
121.10178	1.7
122.03191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49193	0.7
53.03947	4.5
55.01859	0.8
55.16433	0.8
56.05015	0.9
65.03945	5.0
70.56258	1.6
70.56586	1.7
70.89618	0.7
74.06060	2.2
77.03917	2.2
79.05486	3.7
80.04987	0.8
91.05489	14.0
92.05007	2.0
92.05822	7.5
93.07047	19.1
95.04974	4.9
102.04672	1.3
103.05474	99.1
104.05812	1.5
105.04529	3.4
105.07088	5.6
111.04484	0.8
117.08253	0.7
118.06589	1.8
118.07375	0.8
119.07341	1.4
120.04471	2.9
120.08119	100.0
120.08875	5.0
121.02888	3.4
121.03944	1.4
121.06487	1.8
121.10157	1.7
136.67215	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.7
51.37513	0.7
53.03947	5.6
55.05498	1.0
56.05025	0.8
65.03952	3.6
71.19878	1.5
74.06084	2.3
77.03904	1.2
78.93134	1.7
79.05491	6.5
91.05491	16.5
92.05005	3.6
92.05813	8.1
93.07047	24.7
95.04967	5.7
102.04675	0.8
103.05475	92.1
104.05807	1.9
105.04506	2.8
105.06519	0.9
105.07055	11.1
106.07809	0.9
118.06554	1.7
118.07367	1.9
119.07346	2.2
119.08634	1.4
120.04466	3.2
120.05630	2.3
120.08120	100.0
120.08899	6.7
121.02886	1.4
121.04003	1.6
121.06535	3.1
121.08450	1.9
121.10163	5.4
123.08088	1.0
139.93610	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0447
Annotation	4-Hydroxybenzonitrile
Peak:m/z	Relative Intensity
50.42738	0.2
51.02379	0.3
53.03951	2.3
55.01867	0.4
56.05038	1.6
62.35228	0.3
64.44285	0.2
65.03944	41.2
66.04282	0.6
66.38692	0.3
70.00368	0.6
70.00781	0.8
74.06084	2.0
74.40560	0.3
74.48842	0.3
77.03937	0.7
78.93122	1.2
79.05502	1.7
80.04996	0.3
81.03419	0.4
91.04913	0.3
91.05489	8.2
92.05009	100.0
92.05811	3.0
93.05339	0.9
93.07049	9.2
95.04977	2.5
96.94204	0.3
102.05542	0.4
103.05475	26.3
104.05843	0.4
105.04518	1.3
105.07054	1.9
108.04374	0.3
109.83968	0.3
110.06050	3.3
111.04490	0.6
114.65767	0.3
118.06539	0.7
118.07326	0.4
119.07340	0.4
120.04475	51.3
120.05428	1.8
120.08112	28.3
120.08865	1.2
121.02871	1.8
121.03977	0.7
121.04784	0.6
121.06512	3.6
121.08456	0.4
121.10151	0.9
129.40501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.4
55.01860	4.0
55.05507	9.2
55.72226	3.2
56.96338	3.9
56.96571	47.5
57.03434	6.5
58.99873	4.1
59.89662	3.8
60.95850	6.7
65.03942	11.5
65.52154	3.7
66.97852	3.3
67.05502	12.2
69.03436	16.6
69.92258	12.8
70.74412	3.5
71.95253	6.7
78.93147	4.7
81.03420	7.7
82.01442	12.0
83.01529	7.5
83.04964	8.3
84.01205	7.5
85.01406	6.5
86.02944	4.6
86.52700	4.2
87.53509	4.8
88.03617	3.5
91.53739	5.3
93.07037	6.4
98.20771	4.4
98.97595	50.6
100.02496	30.7
101.00903	17.2
101.02571	14.3
102.00957	36.7
102.02237	23.7
102.96849	4.1
103.00628	6.5
103.02458	19.7
103.53705	8.8
105.02176	11.2
106.02643	16.9
106.04200	4.8
106.54222	4.1
111.04443	35.7
115.02428	7.2
115.97040	4.7
116.98619	22.7
118.01070	7.4
118.03547	10.3
119.01939	33.9
120.02011	100.0
120.03286	8.0
120.04460	6.2
120.05598	7.2
120.08113	4.1
121.01704	22.2
121.03517	5.1
124.97585	24.3
131.01901	9.6
131.03745	3.5
133.98106	25.3
134.99689	6.4
135.19473	3.4
137.02922	8.8
138.03069	25.8
139.02666	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03947	3.0
57.86343	0.7
65.03959	3.8
69.91570	3.7
72.91198	0.7
77.03935	1.6
78.04719	1.4
79.05506	5.5
84.56476	0.8
91.05486	100.0
93.07051	7.4
95.04958	2.1
103.05476	16.0
104.06262	12.6
104.89338	0.7
105.04527	1.3
109.06508	0.9
115.05468	7.4
117.07026	45.9
119.08588	93.5
120.08938	0.8
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	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
54.04292	0.7
56.69508	0.5
62.80672	0.5
63.02414	0.6
65.03949	4.5
69.32819	4.1
71.35896	0.6
77.03929	0.7
78.04710	1.4
79.05510	6.3
91.05488	100.0
92.05005	0.6
92.05827	0.9
93.07053	6.5
95.04983	2.4
103.05477	14.9
104.06254	12.4
105.04524	1.6
109.06535	0.8
115.05467	8.3
117.07024	40.4
119.04987	1.4
119.06082	2.3
119.08588	86.8
120.08105	0.6
120.08900	0.9
125.01038	0.5
131.06079	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02400	0.7
53.03955	3.7
53.09462	0.5
54.04295	0.7
65.03955	4.5
67.05503	0.6
70.30310	1.6
70.63362	0.5
70.73972	0.6
77.03939	1.1
78.04710	1.6
79.05500	7.8
79.42160	0.6
91.05488	100.0
91.52114	0.5
92.05825	1.3
93.07045	5.4
95.04971	2.4
96.04549	0.7
98.21456	0.7
103.05473	12.2
104.05618	0.9
104.06260	10.8
105.04522	1.4
109.06523	0.9
115.05461	6.4
117.07029	24.5
119.04966	1.5
119.06055	1.6
119.08590	92.0
120.08091	1.5
120.08943	1.4
130.39336	0.6
131.06088	0.7
133.70268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03957	3.7
65.03960	4.0
67.91551	0.9
69.47839	5.5
77.03922	1.6
78.04702	1.8
79.05503	9.3
91.05490	89.6
92.05841	1.1
92.52826	0.8
93.07044	6.9
95.04961	3.3
102.04724	0.9
103.05489	13.8
104.06261	13.6
105.04499	2.0
115.05459	6.1
117.07032	23.2
117.07864	1.5
119.08591	100.0
120.08105	2.3
120.08896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.1
65.03941	4.5
65.47927	0.7
67.05490	0.8
67.10853	0.6
69.35282	1.5
69.35684	5.1
77.03928	1.1
78.04718	1.9
79.05491	8.4
85.07610	0.6
91.05489	100.0
92.49252	0.9
93.07044	7.4
95.04980	2.5
102.04690	1.1
103.05474	17.6
104.05629	1.1
104.06261	14.1
105.04520	1.5
115.05463	6.4
117.07029	40.7
119.06073	1.9
119.08589	85.7
120.08938	0.8
123.68692	0.8
125.43294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03951	2.8
56.49693	0.6
56.52320	0.6
63.71548	0.6
65.03941	8.6
65.20086	0.6
67.94608	0.6
69.97282	2.3
71.92110	0.5
73.64571	0.6
77.03918	0.6
78.04691	1.3
79.05499	5.3
91.05486	100.0
93.07050	3.9
95.04958	1.9
98.20814	0.6
103.05467	7.7
104.05640	0.6
104.06263	7.3
105.04485	1.0
107.55206	0.6
113.33667	0.6
115.05451	3.9
117.07029	15.5
119.04952	12.9
119.06152	1.3
119.08588	57.5
120.08113	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.3
53.03947	2.5
65.03941	3.3
67.05514	0.5
70.46397	1.1
72.98631	0.3
73.08481	0.3
73.21643	0.3
77.03919	0.5
78.04713	0.9
78.15374	0.3
79.05502	7.5
81.22881	0.3
91.05485	100.0
92.04977	0.3
92.05796	1.5
93.07044	3.6
95.04950	1.4
96.04498	1.2
102.04680	0.6
103.05470	7.3
104.06253	7.3
105.04544	0.8
108.43155	0.3
109.06509	0.5
115.05455	4.6
117.07023	22.7
119.04962	0.9
119.06084	1.2
119.08585	52.1
120.08920	0.9
121.06541	0.7
131.06055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02381	0.4
53.03947	2.3
54.04286	0.3
54.57281	0.2
58.71926	0.2
65.03944	3.1
67.05514	0.6
69.14893	0.2
77.03913	0.5
77.20299	0.2
78.03429	0.2
78.04705	0.9
79.05501	7.2
90.66298	0.2
91.05486	100.0
92.05813	1.2
93.07048	3.8
95.04974	1.6
96.04487	1.7
96.05335	0.3
98.20764	0.3
103.05475	9.0
104.06252	7.6
105.04525	1.1
106.04859	0.2
109.06520	1.0
113.57244	0.2
115.05458	4.9
117.07025	24.1
118.07322	0.4
119.04969	0.9
119.06173	1.7
119.08585	46.4
120.04446	0.3
120.05595	0.3
120.08128	0.4
120.08929	0.8
121.06474	0.4
131.06049	0.5
137.09456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03944	0.9
54.04288	0.5
58.53506	0.3
65.03942	16.1
71.50100	0.5
73.30635	0.3
76.94162	0.3
77.03919	0.4
78.04740	0.3
79.05489	2.2
91.05485	100.0
92.05829	1.4
93.07080	1.6
95.04993	0.8
103.05479	4.2
104.06245	2.7
105.04539	0.5
115.05466	1.3
117.07030	6.7
119.04949	23.8
119.05994	0.9
119.06860	1.4
119.08582	22.7
120.08115	1.3
120.08894	0.3
129.04541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03942	1.1
54.04261	0.3
65.03944	16.8
66.23469	0.4
71.01816	0.9
78.68389	0.3
79.05502	1.4
91.05488	100.0
92.05031	0.4
92.05822	1.5
93.07060	1.0
95.04975	0.5
103.05499	2.4
104.06261	1.7
105.04494	0.5
109.35659	0.4
115.05450	0.8
117.07019	4.0
118.87117	0.3
119.04955	27.7
119.05952	0.8
119.07745	0.4
119.08580	12.9
120.05273	0.5
120.08098	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	4.4
66.88184	2.9
67.05502	8.9
69.03439	11.8
69.98713	15.4
78.53001	4.1
80.02917	4.5
82.01431	8.1
82.99842	7.3
83.01514	4.1
91.05479	8.3
93.07085	3.6
98.20786	3.1
100.02489	11.6
101.00896	55.8
103.02448	11.0
107.05272	7.7
111.33926	3.0
112.08979	3.0
112.09830	2.9
118.03625	3.8
119.01934	100.0
137.02998	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	118.0866
Annotation	L-Valine
Peak:m/z	Relative Intensity
52.52258	0.2
53.03955	0.7
55.05515	20.0
56.05023	0.5
56.96569	0.4
57.05816	1.0
58.06604	6.5
59.05012	0.4
59.07383	6.8
69.75919	1.5
70.06586	0.7
70.67965	0.3
72.08158	100.0
73.08510	0.4
74.82188	0.3
82.01480	0.4
91.05501	0.7
100.02483	0.3
118.08664	17.5
118.42772	0.3
123.05476	0.3
132.71600	0.2
136.12700	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	11.3
53.03954	80.8
54.31030	1.8
55.01872	4.4
55.05508	3.1
55.14538	1.8
57.54046	1.8
58.06604	2.4
63.19255	2.4
67.14133	2.2
70.63601	4.4
70.63999	4.4
72.08157	5.7
76.93378	3.7
77.03944	21.8
81.03426	5.9
85.09052	1.8
86.81950	2.1
91.05492	16.2
95.04977	74.4
98.04317	1.8
103.05446	2.0
105.04525	36.3
117.07029	5.5
118.06557	100.0
118.08637	3.3
119.06901	2.7
119.08615	14.4
135.86160	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	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.00564	1.6
50.01588	4.0
51.02377	8.8
53.03949	83.2
55.01871	4.0
55.05524	2.6
58.06606	2.3
59.07383	3.5
61.83241	2.2
63.21644	1.6
65.03931	2.9
66.17894	1.4
70.56847	5.2
71.05019	1.9
72.08165	13.4
76.93362	10.7
77.03928	16.8
79.05485	4.1
81.03419	8.8
91.05486	76.3
92.05814	5.9
93.07068	3.8
94.94452	2.7
95.04974	70.5
97.96308	1.6
103.05471	4.8
104.06264	5.2
105.04521	41.5
105.05235	2.4
115.05470	3.8
116.05801	11.3
117.07028	22.4
118.06558	100.0
118.07351	14.8
118.08623	8.5
119.08584	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01608	2.5
51.02392	10.9
53.03953	82.0
55.01862	3.9
58.06591	2.1
65.74358	2.0
69.42883	9.3
69.43291	4.0
72.08154	4.7
76.93367	7.2
77.03934	23.2
81.03414	8.8
91.05490	37.1
95.04974	73.5
103.05469	4.0
104.06270	4.6
105.04521	45.5
105.05233	2.5
115.05471	2.7
117.07033	7.3
118.06552	100.0
118.08652	5.1
119.08582	35.9
125.05006	1.9
131.59821	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
50.01602	2.3
50.20409	2.3
51.02383	6.8
52.49585	1.8
53.03952	78.0
55.01873	4.6
55.05515	3.5
58.06601	5.1
59.07377	4.4
59.93117	3.3
63.23954	1.9
63.72905	2.1
65.03944	4.0
69.20029	19.2
71.05007	3.9
72.08165	21.6
76.93375	25.9
77.03930	16.6
79.05509	2.8
81.03422	7.5
91.05487	61.1
94.94416	7.8
95.04974	74.3
103.05463	6.9
104.06261	7.9
105.04520	34.6
107.65782	1.9
109.35622	2.2
115.05462	3.4
116.05800	5.5
117.07026	18.7
117.95985	3.3
118.06551	100.0
118.07320	5.2
118.08668	11.3
118.96748	3.1
119.06097	3.2
119.08585	39.9
130.60889	2.3
136.95256	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
53.03948	2.5
58.06610	1.2
59.93098	1.5
65.03944	3.1
70.75357	1.0
70.75685	1.8
72.08176	4.5
76.93372	11.9
91.05483	47.3
93.20597	0.8
94.94424	2.7
95.04969	2.5
105.04515	0.9
117.05753	5.2
117.96034	2.6
118.06550	100.0
118.08674	3.6
119.04953	2.2
119.06861	1.4
123.49252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	2.7
51.02378	8.8
53.03950	73.7
53.13391	1.2
55.01865	4.9
55.05506	2.8
58.06591	2.4
59.07372	1.8
69.76886	5.6
72.08158	8.3
76.93365	8.8
77.03929	12.5
79.05505	1.6
81.03397	6.3
91.05482	23.4
93.07036	1.5
94.94405	2.8
95.04973	66.8
97.97945	1.2
98.21407	1.8
100.07670	1.8
103.05467	1.2
105.04517	34.4
105.05234	1.7
113.35826	1.1
115.05470	1.1
116.05795	2.0
117.07040	4.7
118.06550	100.0
118.08627	6.8
119.04934	1.2
119.08585	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	116.071
Annotation	L-Proline
Peak:m/z	Relative Intensity
53.03945	0.4
55.01877	0.4
55.05519	0.4
56.05037	1.3
56.96568	1.3
57.03439	0.2
58.06592	0.2
58.99853	0.1
60.05652	0.2
65.52216	0.2
68.05027	0.5
69.03437	0.3
69.07077	0.1
70.06596	100.0
71.03022	0.1
71.06200	0.2
71.06918	0.8
72.04524	0.2
72.05647	0.2
72.08159	0.3
72.99620	0.1
74.00269	0.1
74.02447	0.7
74.06082	0.4
74.93836	0.3
78.52969	0.4
79.02994	0.1
81.03427	0.8
81.07053	0.1
82.01447	0.4
83.00776	0.3
84.01222	0.2
85.02886	0.1
85.51922	0.2
85.53764	0.2
88.07616	0.1
90.52963	0.3
92.01340	0.1
93.01876	0.2
94.52469	0.2
95.01333	0.2
98.06103	0.5
98.07189	1.3
98.09690	0.8
98.97590	0.5
99.53487	0.2
100.02499	1.2
101.02569	0.1
102.01587	0.2
102.02231	0.7
104.52659	0.1
109.02903	0.5
115.02441	0.2
116.07100	9.1
116.08182	0.7
116.10741	1.6
116.98596	0.2
117.07423	0.1
118.03528	0.3
119.01933	0.2
120.02020	0.3
120.03302	0.3
121.01684	0.1
131.00346	0.1
131.01897	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	115.0758
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
53.00309	0.8
53.03950	2.8
55.01875	6.7
55.05517	8.5
57.03442	11.1
57.93573	1.2
59.05006	6.8
62.51654	0.6
67.05519	6.7
69.03442	5.5
69.07072	100.0
70.06598	6.7
70.07400	0.6
70.67794	1.3
70.68165	1.2
71.05000	1.7
72.93794	2.4
73.02922	1.2
73.06558	20.1
73.93830	3.0
74.93832	7.7
75.94521	0.6
79.05499	18.5
87.00842	1.2
87.04484	4.1
92.94884	2.1
95.04994	0.8
97.02940	1.0
97.06535	51.4
98.06865	0.7
105.04556	0.9
115.03944	17.1
115.05496	2.3
115.07602	4.0
115.09492	3.1
115.96523	1.0
125.74660	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00315	1.8
55.01876	3.5
55.05515	6.3
57.03440	5.9
57.07081	70.3
57.19810	1.3
64.72581	1.1
65.03951	11.1
67.01866	7.4
67.05511	100.0
68.05025	3.4
68.99800	1.3
69.03426	4.9
69.07069	4.3
70.02975	10.1
70.06569	1.1
71.05000	23.8
71.11391	1.7
71.11728	2.3
71.94107	25.9
72.93798	40.6
74.73205	1.1
79.05498	2.0
80.95532	1.2
81.03409	1.2
83.04993	1.4
85.02927	2.0
85.06077	2.0
85.06556	26.5
90.94827	11.6
95.01338	5.0
95.02465	1.9
95.04980	30.8
95.08585	2.1
96.00867	4.1
113.00041	6.4
113.02377	96.0
113.03501	12.6
113.06018	25.0
113.07189	1.4
113.07947	2.3
113.10798	1.7
113.96399	2.4
114.05534	3.1
114.09184	5.3
120.47363	1.2
124.99886	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1128.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01859	1.3
81.03419	19.5
83.01315	0.5
85.02911	1.3
86.09657	0.3
89.03899	0.3
91.05462	1.0
92.99770	1.5
93.03361	0.6
93.69016	0.2
95.01334	3.6
97.02882	2.5
98.06088	0.3
99.00778	0.7
99.04394	0.7
101.02351	1.0
101.05627	0.2
103.05420	0.7
107.01309	0.5
107.04944	0.3
108.04451	0.3
109.02884	16.3
111.00755	0.8
111.04448	1.0
113.02337	0.8
115.05449	0.2
117.03351	0.5
119.01308	1.0
119.04900	0.7
121.02868	3.0
123.00817	1.6
123.04382	0.3
125.02357	1.7
126.05515	0.5
127.03915	3.7
129.03372	0.4
131.04893	0.5
133.02863	0.4
137.02332	2.5
139.00201	0.4
139.03920	1.1
141.01823	1.5
145.02829	1.1
147.00726	0.6
147.04434	1.5
149.02359	2.8
151.00301	1.1
151.03915	0.3
153.00723	0.2
153.01845	2.3
153.02977	0.5
154.99744	0.3
155.03297	0.3
157.01657	0.2
157.02797	1.3
159.04410	0.6
161.02292	0.5
163.00192	0.4
163.03902	1.5
165.01837	10.2
166.99817	1.2
167.03410	3.9
169.01276	0.9
173.02348	2.0
175.00301	0.2
175.03918	2.2
177.01828	1.4
178.99707	0.3
179.03374	0.5
181.01318	0.8
182.99368	1.2
183.02905	0.4
185.00923	0.4
185.02325	1.6
187.02280	0.3
187.03906	4.3
189.01857	1.4
191.03404	2.9
192.00488	0.3
192.04147	0.2
193.01332	33.2
194.01643	0.6
194.99312	1.1
195.02939	1.7
197.00832	0.3
199.03836	0.3
201.01839	3.9
202.99738	0.8
203.03391	4.6
205.01344	1.3
207.02881	0.6
209.00792	0.7
210.01489	0.4
211.02344	1.8
213.01830	2.9
215.01485	0.3
215.03391	3.9
217.01324	2.3
219.02910	6.1
220.03348	0.2
221.00813	52.2
222.01242	0.8
222.98750	0.3
223.02222	0.3
229.01358	4.6
230.02148	0.7
231.02893	21.5
232.03471	0.3
233.04474	0.3
235.02298	0.3
237.00291	0.2
239.01822	4.4
241.01286	3.9
241.04999	0.4
243.02925	0.9
245.00806	3.9
245.03326	0.3
245.04512	0.5
246.99805	0.5
247.02390	11.3
248.02861	0.4
249.00157	0.2
253.04987	0.3
255.02885	0.5
257.00800	6.0
257.02783	0.3
258.01508	0.7
259.02386	34.0
260.02936	0.7
261.03946	1.0
263.01871	2.5
267.01376	0.7
269.00861	0.5
269.04474	0.4
271.02414	1.2
273.00314	2.6
273.03918	0.6
274.00937	0.4
275.01865	16.7
276.02606	3.9
277.03439	100.0
278.03824	1.5
283.02426	0.5
285.00330	5.3
285.03510	0.3
286.00998	0.4
287.01855	1.4
289.03348	1.1
291.01385	1.3
295.02545	0.4
297.00452	0.6
297.03943	0.5
299.01968	0.9
300.99878	0.5
301.03473	0.9
302.00604	0.8
303.01352	82.9
304.01691	1.7
305.02991	0.3
307.26517	0.3
309.03986	0.5
311.01953	0.5
311.05319	0.3
312.99725	0.5
313.03458	0.6
315.01352	0.9
315.04755	0.4
317.02945	1.0
319.00885	0.6
319.04453	0.3
321.02454	4.0
325.03503	0.5
327.01358	0.7
328.99390	0.4
329.03006	0.8
331.00748	0.5
337.03412	0.3
339.01236	0.3
339.05011	0.3
341.03082	0.6
343.01172	0.3
345.02512	0.8
347.03888	1.1
349.02451	0.3
355.04578	0.4
357.02505	0.4
359.03940	0.2
365.05112	0.7
367.04581	0.3
375.03595	0.5
383.04291	0.3
385.05988	0.3
387.03424	0.3
393.03146	0.2
399.77481	0.2
401.04938	0.3
403.02780	1.2
405.04559	0.3
411.03424	0.4
415.02921	0.4
419.05991	0.4
421.03949	0.3
429.04477	3.7
431.02563	1.6
433.04388	0.4
447.05582	1.7
449.03564	3.1
459.02029	3.6
467.04764	0.7
477.03033	16.7
478.03796	0.5
495.04141	2.8
513.05212	1.4
565.04919	0.3
575.07019	0.6
585.05365	0.9
602.07660	0.9
603.06128	3.9
621.07318	10.1
622.07361	0.3
639.08350	0.3
923.07813	0.4
941.08936	54.2
942.09198	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	1125.5036
Annotation	Unknow
Peak:m/z	Relative Intensity
84.67261	0.3
105.06909	0.2
109.31219	0.2
113.52583	0.2
127.64250	0.2
130.83574	0.2
189.32439	0.2
218.00771	0.2
396.12170	0.5
397.12891	1.0
398.13934	0.5
409.13055	0.4
410.13559	1.4
411.14502	2.7
412.15469	2.2
413.15881	1.5
423.14645	0.9
424.10794	0.7
424.16107	1.9
425.16333	6.1
426.16974	4.4
427.17563	1.5
428.18335	0.9
437.12079	0.7
437.16708	0.7
438.12354	2.5
439.13403	7.6
440.13589	0.9
440.19269	3.0
441.19321	19.2
442.19614	2.1
451.13885	0.8
452.14230	3.0
453.15268	9.6
454.16074	3.0
455.16650	0.3
457.15039	0.6
458.16068	0.3
463.13824	0.5
465.15726	0.7
466.16797	0.7
467.17203	16.3
468.17847	9.9
469.18909	7.6
470.18741	0.8
471.16492	0.5
472.17551	0.5
477.15747	0.8
478.15921	0.7
480.14517	1.0
481.14856	10.0
482.15250	3.1
483.16068	0.7
484.17093	0.3
485.18753	0.4
494.16669	0.4
495.16562	16.6
496.17014	22.9
497.17651	3.2
498.19229	0.6
499.19516	1.0
500.20630	0.4
509.18121	1.9
510.18781	0.9
512.20520	0.7
513.17731	0.4
514.23334	1.5
523.19867	1.5
524.16669	0.6
525.17975	0.3
526.18665	0.4
527.23920	1.8
528.18652	1.1
536.19226	0.8
537.19086	1.4
538.18719	0.5
539.19299	0.7
540.19580	0.4
542.21808	0.7
555.22485	17.9
556.22540	1.4
568.18958	1.1
582.21002	0.3
583.21936	50.6
584.22113	6.6
585.22021	0.3
586.20612	0.5
587.25049	0.9
599.21381	0.4
600.21490	0.4
610.20929	0.4
611.21167	1.8
614.23834	0.5
615.15088	0.4
615.24554	4.2
616.24805	0.3
642.23273	18.7
643.23871	100.0
644.23944	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	111.0808
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
51.02375	1.2
53.03951	10.0
55.01630	1.1
55.01876	14.3
55.05515	40.4
56.05822	0.7
57.03424	1.7
65.03934	5.7
67.05505	6.3
68.05050	0.9
69.03434	22.7
69.07066	2.6
69.73898	4.2
70.06605	1.4
70.94268	0.9
71.01366	0.6
75.09538	0.6
77.03924	3.8
79.03525	0.7
79.05486	1.8
81.03403	0.9
81.07052	3.2
82.03767	0.8
83.04979	10.5
83.08628	8.6
88.00482	3.3
91.05485	22.6
93.03439	1.6
93.07048	30.7
95.04971	10.3
96.05749	1.4
96.36831	0.7
97.01040	1.0
97.02893	2.0
105.04547	4.2
111.04449	15.4
111.05612	1.8
111.06415	2.4
111.08086	100.0
112.03980	1.1
112.07604	1.9
112.08373	1.4
115.96449	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.9
53.03954	2.3
53.99843	1.5
54.03473	0.8
54.56741	0.5
54.60892	0.6
55.01882	1.3
55.05516	36.8
56.05048	4.1
57.07082	2.0
58.06607	3.2
62.58729	0.7
65.03951	2.5
67.05511	4.6
68.05032	6.2
68.99804	0.8
69.03450	1.5
69.04558	4.0
69.05363	1.3
69.07074	100.0
69.23985	3.1
69.24409	2.7
70.02966	1.2
70.04918	1.7
70.05337	1.1
70.06599	39.1
71.06126	2.2
71.07378	1.3
82.05319	1.4
82.06586	1.3
83.05012	3.9
83.06110	9.4
83.06895	0.7
83.08651	0.9
84.04510	1.2
84.05652	0.8
84.06458	0.6
84.08157	2.5
85.07681	1.7
88.00499	6.6
91.05486	0.9
93.04528	1.1
93.07039	1.7
94.02966	1.2
94.06576	3.4
95.06118	2.6
96.05624	2.9
96.06872	2.5
97.01029	2.7
99.51283	2.2
109.39314	0.7
110.07175	10.0
111.02049	0.7
111.04462	7.9
111.05631	10.3
111.06393	2.3
111.06735	2.1
111.07413	9.6
111.08048	2.9
111.09211	57.1
112.03954	1.8
112.05163	1.1
112.07622	1.4
112.08743	13.2
112.09509	1.3
112.11279	0.7
115.96416	3.1
116.97210	0.9
119.99480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0445
Annotation	Hydroquinone
Peak:m/z	Relative Intensity
52.78378	0.4
53.03950	3.0
55.01882	3.3
55.05515	50.5
56.05851	0.5
60.40511	0.4
65.03946	7.6
67.05508	1.5
69.03437	2.2
69.07067	3.1
70.06605	0.7
71.51024	0.7
76.63734	0.4
78.99965	0.6
81.03423	0.9
83.04985	32.8
83.08617	0.6
84.08160	0.8
85.02906	1.2
88.00479	1.9
91.05481	1.8
93.03402	1.9
93.07079	2.3
97.00997	0.8
111.04447	100.0
111.08072	5.8
111.09172	0.7
112.03984	0.5
112.04773	1.0
112.07623	1.3
115.96429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.0
55.01873	4.5
55.05517	11.0
65.03947	6.2
66.04716	1.0
67.05509	100.0
68.05844	0.7
69.07072	6.7
69.85830	2.9
79.05498	29.6
80.06274	1.7
81.03428	14.7
81.07062	49.1
82.06611	0.6
82.85294	0.6
91.05487	8.7
94.04210	3.1
94.07842	0.9
95.04970	0.7
98.21450	0.7
105.04507	0.6
105.07056	0.8
107.04977	1.6
107.08575	3.3
109.02908	3.1
109.06526	47.6
109.10162	42.9
110.06055	1.7
110.06797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	110.0605
Annotation	2-Aminophenol
Peak:m/z	Relative Intensity
53.03954	0.4
54.04268	1.0
55.01876	0.4
55.05516	1.8
56.58223	0.4
56.96560	1.5
65.03944	27.1
67.04243	1.9
67.05508	0.7
68.05013	0.6
68.95278	0.8
70.24304	0.3
70.53692	0.9
77.00783	0.4
80.04996	0.6
81.03411	0.7
82.03748	1.5
82.06586	5.0
83.04988	0.8
83.10062	0.4
92.05008	70.9
93.03410	6.3
93.05324	0.9
95.03712	0.4
98.21378	0.4
98.97570	0.9
110.06046	100.0
111.04449	7.4
111.06389	0.7
121.03996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	4.9
55.05516	11.7
65.03945	4.5
67.05510	100.0
68.05855	1.2
69.07072	6.4
69.39711	5.3
79.05492	9.6
80.06298	0.9
81.03429	5.3
81.07059	32.9
85.24926	0.7
91.05486	1.8
91.20477	0.6
94.04186	1.5
94.07835	1.9
107.08616	4.8
109.02885	1.2
109.06512	4.8
109.10167	40.7
110.06033	1.3
115.00833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.8
55.05515	12.3
56.66126	0.5
65.03950	5.0
67.05510	100.0
68.05827	0.7
69.07072	6.7
71.09378	1.0
78.31040	0.5
78.35012	0.4
79.05072	0.9
79.05501	11.6
80.06271	1.5
81.03423	4.1
81.07063	33.0
83.04356	0.6
91.05498	1.5
94.04173	1.2
94.07833	1.2
105.07052	0.6
107.08582	3.8
109.02845	1.1
109.06535	5.0
109.10165	44.8
110.06022	0.8
110.10490	0.6
112.06719	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03954	1.9
55.05518	10.6
56.76124	0.6
65.03951	3.5
66.32816	0.7
67.05510	100.0
68.05828	0.9
69.07072	6.8
70.05451	2.3
79.05496	9.3
79.05927	1.0
80.06279	0.9
81.07063	31.8
91.05479	1.2
94.07832	0.5
107.08591	3.1
109.06535	2.2
109.10166	38.6
110.10508	1.1
126.25494	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03957	11.3
54.03466	1.8
54.87143	0.9
55.01864	1.3
55.05515	13.6
56.05030	2.8
65.03944	9.7
66.03471	1.5
67.04255	4.0
67.05511	100.0
68.04681	1.7
68.05035	29.2
69.04560	18.3
69.07071	6.1
71.09665	2.4
79.05496	13.4
80.05022	4.1
81.03430	15.1
81.04549	2.1
81.05352	2.2
81.05805	1.1
81.07065	35.9
82.06582	12.7
83.06079	5.2
91.05475	2.2
92.05009	3.8
92.05825	0.9
93.04540	3.9
94.04213	2.0
94.05295	2.1
94.06120	2.3
94.07841	1.4
95.03724	1.3
107.08614	4.5
109.02892	4.7
109.04047	2.1
109.05299	2.0
109.05975	1.9
109.06593	9.1
109.07659	93.3
109.08443	7.6
109.10162	37.3
109.10923	1.2
110.06060	19.6
110.07179	73.6
111.05595	1.3
119.06231	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02395	0.5
53.00316	0.6
53.03949	8.2
55.01876	0.8
55.05514	6.8
64.22707	0.3
65.03944	6.2
66.04747	0.5
67.05507	100.0
68.05853	0.7
69.07077	4.4
79.05498	10.5
80.06255	0.7
81.03423	12.1
81.07058	24.0
82.06577	0.8
87.00465	0.3
91.05492	2.7
92.05866	0.4
92.92068	0.3
94.04184	1.6
94.07831	1.0
95.16055	0.3
101.40231	0.3
105.07021	0.6
107.04948	0.4
107.08607	2.3
109.02889	2.5
109.06522	6.9
109.07657	2.7
109.08494	0.9
109.10158	24.0
110.06044	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	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02385	1.3
53.00307	0.9
53.03950	24.9
55.01875	4.1
55.05515	10.3
65.03941	9.6
66.04726	1.3
67.05508	100.0
67.93551	0.8
68.05827	0.8
69.03436	0.9
69.07069	6.2
71.51659	0.8
79.05499	40.8
79.48624	0.6
80.06283	1.3
81.03423	41.3
81.07061	62.9
82.03737	0.7
82.06577	1.5
84.76849	0.6
85.01868	0.8
87.00453	1.0
91.05486	16.3
94.04194	15.9
94.07845	2.3
101.01019	0.6
105.04487	1.0
105.07003	0.7
107.04964	6.2
107.08586	3.7
109.02890	11.7
109.06522	78.5
109.07702	2.1
109.10161	44.9
110.06077	5.5
110.06785	1.1
111.04444	1.2
119.06074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
50.31448	0.5
51.02381	0.9
53.03951	17.9
55.01878	7.3
55.05516	5.6
56.50213	0.5
62.37658	0.5
65.03942	7.0
66.04716	1.2
67.05508	55.0
67.75072	0.5
69.07066	3.7
69.52274	3.6
78.47083	0.6
79.05499	44.6
80.06290	1.1
81.02932	0.9
81.03423	24.5
81.07061	50.2
82.07417	0.6
91.05483	13.7
94.04184	3.5
94.07842	0.6
95.04956	0.9
98.21482	1.0
102.14048	0.5
107.04939	1.4
107.08588	2.6
109.02885	9.4
109.06524	100.0
109.10162	24.0
110.06089	1.1
110.06845	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02376	1.1
53.03950	21.9
55.01870	6.7
55.05516	10.4
61.64253	0.8
65.03950	6.5
66.02769	0.7
66.04711	2.1
67.05510	88.3
69.07077	4.4
69.95851	2.6
79.05499	47.4
80.06229	1.1
81.03421	23.6
81.07060	56.3
82.06615	0.8
91.05491	13.2
94.04197	5.2
95.04938	1.0
105.04496	0.9
107.04951	2.6
107.08589	3.0
109.02901	7.4
109.06525	100.0
109.10163	30.7
109.10938	0.9
110.06039	2.4
110.06770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02369	1.4
53.03950	20.2
55.01882	5.7
55.05516	5.3
59.22444	0.6
59.93274	0.6
65.03939	6.4
66.04713	1.6
67.05508	45.9
69.07065	2.9
79.05495	43.9
80.16344	0.6
81.03423	28.0
81.07059	45.5
82.06574	0.9
86.50576	0.5
91.05485	13.4
92.04993	0.6
94.04193	4.8
94.07825	0.9
95.04955	0.7
99.55935	0.6
107.04955	1.5
107.08595	1.5
109.02885	5.3
109.06523	100.0
109.10155	19.9
110.06048	4.8
110.06767	1.4
124.97820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02391	0.7
53.03951	13.9
54.71530	0.4
55.01876	7.0
55.05513	6.7
58.43076	0.4
60.00188	0.4
61.38403	0.4
65.03944	6.6
66.04730	1.5
67.05508	57.0
69.03438	0.5
69.07079	4.3
71.08200	0.6
76.92686	0.4
77.03928	0.5
79.05498	47.0
80.05855	0.5
80.06300	0.6
81.03426	17.0
81.07060	50.3
82.06582	0.6
90.70342	0.5
91.05485	13.4
94.04192	6.0
94.07811	0.9
95.04989	1.1
107.04974	1.8
107.08599	2.0
109.02892	3.8
109.06524	100.0
109.10161	24.9
110.06055	2.4
110.06874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02385	1.2
53.00308	0.8
53.03951	21.8
54.04309	0.5
55.01880	4.2
55.05302	0.5
55.05516	5.1
65.03946	11.3
66.04726	1.7
67.05508	45.3
67.93584	0.7
69.07064	2.8
71.50739	0.8
79.05498	55.7
80.05843	1.0
80.06288	0.8
81.02936	0.7
81.03423	30.2
81.07059	100.0
82.06570	1.5
91.05485	26.4
92.05794	0.7
94.04189	24.9
94.07820	1.0
95.04974	1.5
105.04545	0.8
107.04960	9.9
107.08591	1.9
108.35726	0.5
109.02872	6.7
109.06522	56.6
109.07595	3.5
109.08420	0.9
109.10162	17.6
110.06064	6.2
110.06831	1.1
111.04446	1.7
119.06055	1.7
121.03955	1.0
129.18231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
50.01590	1.1
51.02383	3.5
53.00309	1.7
53.03952	50.3
55.01880	4.7
55.05519	6.5
55.20638	0.6
55.71173	0.7
62.25899	0.6
63.45665	0.7
65.03950	15.3
66.04719	2.6
67.05510	75.4
67.93550	0.6
68.05827	0.6
69.03430	3.1
69.07079	5.5
71.50758	0.9
79.05498	42.4
80.06284	1.0
81.03425	94.8
81.07062	76.5
81.07443	1.0
82.03754	0.9
82.06575	1.5
82.07394	0.9
91.05488	35.3
91.61729	0.6
92.04996	0.7
92.05833	1.0
94.04195	52.8
94.07845	1.1
95.04996	1.7
105.07001	0.7
107.04964	22.5
107.08599	3.1
109.02891	22.8
109.06525	100.0
109.07711	3.0
109.10162	34.0
110.06077	6.9
110.06803	1.0
111.04448	3.3
119.06062	3.0
121.03997	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	109.0288
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.01601	0.4
51.02387	2.4
53.00312	1.8
53.03949	55.3
54.04300	0.4
55.01877	6.7
55.05500	0.6
56.96570	3.6
57.03440	1.0
57.39255	0.4
61.02930	0.6
64.13291	0.4
65.03949	0.9
67.05506	5.0
68.00270	0.7
71.16923	1.0
77.00816	0.7
78.52952	0.5
79.05503	1.2
81.03422	100.0
81.07042	2.5
82.01438	0.5
82.03764	1.2
82.06583	1.5
86.52736	0.6
90.01567	0.4
94.04182	0.6
98.97591	1.6
99.27814	0.4
100.02505	1.1
101.00900	1.2
109.02885	25.9
109.06521	1.8
109.07645	1.9
109.10140	2.1
110.06032	4.2
115.67458	0.5
116.98634	0.6
118.01151	0.9
119.01938	1.2
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
50.01609	0.4
50.68484	0.3
51.02377	1.1
53.03951	6.0
55.01868	1.7
56.43828	0.4
62.99072	0.8
65.03944	14.3
67.05511	4.3
71.51205	0.6
77.03925	1.1
78.31395	0.3
79.01867	0.4
79.05495	30.5
80.05061	0.5
81.03410	0.7
91.05486	100.0
92.05777	0.8
92.06271	2.7
93.05827	0.5
95.04977	5.9
103.05473	1.0
105.04544	3.6
105.07035	27.3
106.04198	1.1
107.04960	37.5
107.08598	25.2
108.04502	0.6
108.05252	0.4
108.08109	1.0
109.06513	8.9
119.06075	7.9
124.05151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.1
53.03947	6.4
55.01874	1.7
62.99057	0.6
65.03613	0.9
65.03944	14.2
67.05511	3.2
68.64086	0.5
69.18317	0.8
69.18719	4.8
77.03933	1.5
79.05498	28.9
91.05486	100.0
92.05787	1.0
92.06275	3.2
93.97378	0.5
95.04961	5.5
105.04512	3.5
105.07037	26.4
106.04162	1.1
106.06657	0.6
107.04964	28.6
107.08599	29.3
109.06513	8.2
119.06071	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03949	1.4
55.01871	1.0
55.50307	0.3
65.03944	13.5
67.05512	2.0
67.87343	0.2
70.02971	1.4
77.03931	0.8
79.05499	12.3
80.05807	0.3
91.05485	100.0
92.05804	0.8
92.06272	2.5
95.04980	1.2
98.20867	0.4
103.05486	0.7
105.04531	1.0
105.07038	27.9
106.04168	1.2
106.07367	0.5
107.04960	5.4
107.08599	30.0
109.05931	0.2
109.06525	9.5
119.06074	9.6
124.05194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95823	0.3
51.33349	0.4
53.03952	2.0
55.01871	0.7
65.03944	15.0
65.62344	0.4
67.05505	2.2
67.15859	0.3
70.15341	1.7
77.03928	0.8
78.69524	0.4
79.05019	0.4
79.05495	14.2
91.05483	100.0
92.05849	0.9
92.06269	2.7
95.04961	1.8
103.05455	0.7
105.04514	0.7
105.07032	26.1
106.04190	1.1
107.04955	9.4
107.08595	28.5
108.08865	0.6
109.06516	9.1
119.06059	8.1
124.05207	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02382	0.4
51.25004	0.3
53.03963	1.8
55.01875	0.8
56.43906	0.3
57.29122	0.3
62.99076	0.3
65.03945	14.5
67.05515	2.4
69.47018	2.2
77.03930	0.7
79.05499	12.6
91.05488	100.0
92.05872	0.5
92.06297	2.9
95.04981	2.0
98.20819	0.7
100.70644	0.3
100.71504	0.3
102.99519	0.3
103.05469	0.5
105.04520	0.8
105.07040	28.6
106.01806	0.3
106.04170	1.2
107.04966	8.7
107.08601	29.1
109.06525	9.9
110.06939	0.3
115.61508	0.3
119.05231	0.6
119.06083	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	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.09255	0.2
51.02375	0.5
53.03952	1.7
55.01875	0.5
65.03947	14.4
67.05510	1.9
70.85908	0.4
70.86220	0.4
77.03928	0.7
79.05499	12.9
91.05490	100.0
92.05807	0.7
92.06280	2.4
95.04975	2.4
103.05483	0.5
105.04534	1.1
105.07042	29.7
106.04172	1.4
107.04974	8.1
107.08604	30.5
109.06529	9.8
119.06073	9.3
124.05273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03950	6.0
55.01861	1.2
55.05518	0.5
65.03945	15.9
67.05511	4.4
69.74929	2.5
73.67249	0.4
77.03927	1.1
78.31700	0.5
79.05498	39.8
81.03424	0.6
87.50137	0.5
91.05486	100.0
92.05803	1.1
92.06277	3.3
95.04962	5.2
103.05477	1.2
103.83913	0.5
105.04538	2.3
105.07039	28.1
106.04180	1.2
107.04960	23.4
107.08600	26.1
108.05318	0.6
108.08128	0.7
109.06521	7.9
119.06077	7.3
124.05221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01601	1.4
50.23777	0.3
51.02383	3.9
53.03950	36.1
55.01880	2.7
65.03936	2.4
67.05513	0.6
68.33381	0.4
69.38311	0.9
69.38730	1.9
77.03935	12.5
77.81448	0.3
79.05496	90.4
80.05819	1.0
81.03419	4.3
91.05482	15.7
92.06265	0.8
95.04971	34.8
96.05305	0.5
97.05384	0.3
98.20779	0.5
99.93423	0.3
105.04519	19.9
105.07022	3.7
107.04959	100.0
107.08600	4.1
108.05296	1.3
109.06528	1.6
118.06496	0.5
119.06077	1.5
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
50.01594	0.8
51.02383	3.4
53.03950	33.2
54.04285	0.5
55.01872	2.9
57.20081	0.4
65.03954	0.7
66.14601	0.3
70.95396	0.5
70.95720	0.4
77.03934	10.7
77.14637	0.3
78.92279	0.3
79.05496	78.9
80.05840	0.6
81.03423	3.4
91.05487	6.6
92.24884	0.4
95.04972	29.9
102.59589	0.3
105.04522	15.8
105.07037	2.1
106.04269	0.4
107.04960	100.0
107.08608	1.5
108.05316	1.1
109.06517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1050.5858
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02905	4.0
77.03929	2.1
78.89825	1.4
79.05496	81.5
81.03426	34.6
81.07063	100.0
82.07407	2.2
83.04987	22.6
83.08624	24.0
85.02906	24.1
85.06541	7.4
87.04458	6.2
89.27771	1.7
91.03960	4.3
91.05486	70.6
93.07048	70.0
95.04979	21.4
95.08611	40.7
97.02900	13.5
97.06528	25.8
97.10176	25.1
99.04455	4.4
99.08096	5.0
103.05466	2.5
105.04528	2.2
105.06316	1.5
105.07038	49.0
107.04965	16.7
107.08600	49.1
109.02880	3.3
109.06533	12.3
109.10165	94.2
110.10490	2.2
111.04444	4.7
111.08092	13.7
113.09669	1.5
115.05450	4.1
116.06250	1.7
117.07024	21.1
119.08587	37.7
121.06464	6.9
121.10158	23.0
123.08092	8.4
123.11729	5.8
125.09637	23.9
127.03919	6.4
128.06264	3.0
129.05530	7.7
129.07001	11.4
130.07811	1.5
131.04932	2.7
131.08572	31.3
133.06503	3.1
133.10139	30.5
135.08058	9.0
135.11716	20.8
137.09615	10.8
139.07547	2.2
139.11209	3.0
141.07022	3.8
142.07785	2.8
143.08549	6.1
143.10709	2.7
145.04962	3.1
145.06523	3.0
145.10138	26.9
147.08087	4.4
147.11703	17.2
149.09624	17.9
149.13268	16.4
151.11194	4.7
153.12770	4.6
155.08557	2.4
155.10692	7.0
157.08661	1.8
157.10132	8.5
159.08012	1.8
159.11690	17.9
161.09660	3.2
161.13243	4.8
163.11198	21.8
165.12764	2.9
169.10120	4.8
171.11699	5.9
173.04446	6.0
173.09552	3.0
173.11751	22.8
173.13269	6.0
175.11221	4.5
177.12779	9.7
179.14333	2.0
181.12268	5.0
183.11693	4.4
184.07349	1.8
185.13229	2.8
187.11215	4.2
187.14771	2.1
189.11221	7.1
189.12740	2.0
191.10677	4.9
193.12228	5.9
195.13837	8.3
197.13229	3.2
199.11633	1.6
199.13293	9.4
199.14908	2.5
201.12753	1.8
205.12273	2.0
209.11737	7.9
211.13330	2.7
215.14346	1.6
217.14304	2.2
219.13968	2.3
227.12781	25.4
229.14360	64.2
229.19482	3.7
233.15416	1.8
233.18964	1.5
239.18015	5.6
247.20607	2.9
249.14931	1.6
253.14392	2.0
255.15921	13.9
257.13770	2.1
257.19095	12.0
261.14844	1.6
265.14331	2.7
267.16022	14.6
269.17514	33.4
275.20105	42.4
276.20346	1.7
283.15427	10.9
285.17111	1.6
291.19653	2.7
293.21075	3.9
301.16449	15.5
313.21741	1.6
331.22717	3.4
349.23764	42.0
350.24167	1.9
367.24750	2.3
371.16959	2.0
399.23828	26.8
409.25812	17.3
410.25653	1.8
413.21832	2.7
423.27472	39.1
447.27826	1.9
455.55814	1.6
459.27774	1.6
477.28439	5.4
495.29623	10.5
503.33801	19.7
504.50162	1.6
521.34607	3.3
539.33630	2.1
557.34778	1.9
567.33020	1.7
575.35730	5.1
579.35260	7.0
593.36853	53.1
594.36749	2.8
673.42853	16.7
691.44489	8.6
737.40961	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	1050.5853
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02910	4.8
77.03953	1.9
79.05499	89.6
79.90377	1.7
81.03431	22.3
81.07063	93.7
82.07384	2.5
83.05000	13.9
83.08618	21.9
85.02914	18.6
85.06539	6.4
87.04451	1.4
91.03958	7.5
91.05485	100.0
92.05821	1.8
93.07049	79.7
95.01339	3.0
95.04370	3.3
95.04973	59.9
95.08613	66.3
96.04524	2.5
97.02899	18.1
97.06541	28.3
97.10175	20.4
99.04469	3.2
99.08107	3.9
101.38694	1.5
103.05459	4.6
103.12410	1.3
105.04534	3.1
105.07038	72.5
107.04964	20.9
107.08602	45.6
109.02876	4.9
109.06510	9.7
109.10164	70.7
110.10510	2.0
111.04449	2.0
111.08082	11.2
113.06013	87.5
113.09660	3.9
115.05460	4.8
116.06232	2.4
117.07023	27.6
119.04956	2.1
119.08587	51.5
121.06544	9.2
121.10150	22.7
123.04442	2.4
123.08068	8.3
123.11708	5.8
125.09628	19.5
127.03938	5.6
128.06226	4.7
129.05487	5.4
129.07021	15.8
130.07828	2.1
131.08569	30.9
133.06506	7.0
133.10129	34.4
135.08041	7.8
135.11720	14.7
137.09622	27.2
137.10590	2.2
139.07570	1.7
139.11209	4.8
141.07004	5.4
142.07811	3.0
143.08582	13.0
144.09364	1.9
145.04932	2.4
145.06523	3.5
145.10143	23.0
147.08061	4.6
147.11705	19.4
149.09625	38.1
149.10759	2.8
149.13263	7.3
151.11197	5.0
153.09135	3.4
153.12747	1.5
155.07162	1.7
155.08565	5.5
155.10684	6.9
157.08852	2.3
157.10141	11.4
159.08057	2.9
159.11719	21.7
161.09650	4.5
161.13237	13.3
163.11203	23.0
165.09074	3.5
165.12805	1.8
167.10733	2.9
169.10126	6.3
171.10185	3.8
171.11699	7.6
173.04507	3.2
173.08110	5.0
173.09520	3.4
173.11746	23.4
173.13283	7.2
175.11183	5.1
175.14745	1.8
177.12735	6.0
179.10725	1.8
179.14348	9.0
179.58218	1.3
181.12230	1.7
182.11023	1.6
183.11710	6.6
184.07330	1.9
185.11784	1.6
185.13298	4.0
187.11255	5.4
187.13188	1.4
187.14832	3.0
189.11272	5.8
189.12794	2.7
191.10573	1.5
193.12123	3.5
195.11702	2.4
195.13750	4.9
197.13254	4.7
199.13286	4.6
199.14877	3.0
201.12842	2.6
203.14380	1.7
205.12344	3.8
209.11682	1.7
211.14926	3.2
213.16353	1.5
215.18065	2.5
223.13275	5.2
225.11214	11.6
227.12701	10.2
227.17859	1.8
228.13171	1.9
229.14360	31.9
229.19505	3.5
239.18073	4.2
243.15915	3.2
245.19148	2.6
247.20576	4.1
253.14436	2.2
253.18004	5.0
255.16037	4.5
255.79008	1.6
257.19055	14.3
263.20166	2.6
267.15912	2.9
269.17371	2.6
273.18527	9.3
275.20081	65.3
279.15961	1.7
281.13693	1.7
285.13345	17.2
291.19534	21.0
293.21127	6.5
297.51453	1.5
301.16464	2.4
315.23462	1.9
321.24350	3.1
325.20016	3.3
331.22745	3.7
332.64963	1.4
339.21863	2.1
345.15427	1.7
349.23779	67.3
365.23456	6.9
373.18509	1.9
383.24435	7.6
397.18201	2.4
399.23743	3.0
407.27960	4.1
409.25900	3.1
423.27277	3.8
445.29395	3.9
457.20898	3.9
461.29080	1.6
503.33725	17.8
517.35181	2.4
527.37073	6.1
529.35260	2.0
543.36719	5.4
593.36786	3.0
623.43256	18.4
639.42145	2.7
641.43768	3.4
673.43390	3.2
753.78351	1.5
772.18628	1.4
966.71570	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0704
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02378	1.9
53.03710	1.4
53.03946	18.9
55.39630	0.9
58.78704	0.8
60.08174	1.2
61.08512	0.9
65.03946	1.4
70.86366	1.6
77.03545	0.9
77.03929	5.4
79.05493	60.4
81.03413	2.5
86.42634	0.9
87.00837	1.5
95.04970	18.3
96.04487	0.9
99.32208	0.8
103.05468	35.1
105.03426	1.9
105.04530	9.6
105.07034	100.0
105.11091	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	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.7
51.02385	3.1
53.03716	1.1
53.03954	19.5
55.01866	0.7
60.04527	0.6
60.08176	0.7
61.08492	1.3
61.70618	0.6
65.03955	1.1
71.00968	1.2
77.03928	5.3
79.05501	61.1
81.03426	2.6
87.00836	1.2
91.48217	0.9
95.04978	18.6
96.04507	1.7
96.05293	0.7
100.54147	0.6
103.05478	37.4
105.03457	3.0
105.04528	11.1
105.07039	100.0
105.11091	3.6
106.07382	0.8
111.90399	0.6
118.06451	0.6
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
51.02379	2.6
53.03711	1.2
53.03952	17.4
53.33432	0.7
55.01877	0.9
59.61781	0.7
60.08148	0.9
61.01146	3.3
65.03942	1.0
66.15874	0.8
71.51212	1.0
77.03929	4.4
79.05499	49.2
81.03420	1.5
87.00808	1.4
95.04972	13.9
96.04510	0.8
103.05476	32.0
105.04535	8.3
105.07039	100.0
105.11081	3.3
106.06600	1.1
106.07368	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01572	1.0
50.95513	0.8
51.02386	1.6
53.03716	0.9
53.03950	14.8
55.01864	1.0
60.45760	0.9
61.08460	1.0
63.28913	0.8
65.03947	1.1
68.21578	0.9
69.61975	0.8
70.15819	3.7
77.03920	4.7
79.05498	52.2
81.03430	1.4
95.04974	13.7
103.05478	30.8
105.04549	5.7
105.07039	100.0
105.11070	2.1
106.06624	1.2
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
58.06597	5.5
59.07386	1.3
60.08166	53.4
61.08516	0.3
66.46989	0.3
68.95463	0.2
69.63760	1.5
69.64069	0.6
91.94936	0.3
97.10248	0.2
100.64985	0.3
104.10747	100.0
105.11072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01617	0.8
51.02378	2.4
53.03709	1.1
53.03949	18.1
60.08152	0.9
61.08508	1.4
65.03932	1.3
69.37061	6.2
70.09703	0.8
77.03931	4.1
78.83426	0.8
79.05496	57.7
81.03423	1.4
82.86632	0.7
83.39678	0.7
87.00848	1.6
95.04974	13.6
96.04492	1.3
103.05474	33.3
105.03397	1.3
105.04520	9.8
105.07036	100.0
105.11072	5.4
106.06637	1.5
106.07355	1.3
112.05035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72456	0.2
56.96564	0.5
58.06603	4.7
58.06880	0.3
59.07385	1.7
60.08168	52.6
62.84779	0.2
69.82468	0.2
69.83148	0.9
86.09649	0.3
87.78468	0.2
103.51799	0.2
104.10749	100.0
105.11099	0.7
117.64421	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	1034.5904
Annotation	Unknow
Peak:m/z	Relative Intensity
72.08156	1.7
73.02902	2.4
77.03934	2.7
79.05499	72.1
79.91932	0.8
81.02991	1.3
81.03429	19.7
81.07061	100.0
83.04987	16.0
83.08624	15.8
84.08154	1.4
85.02908	13.4
85.06561	7.3
86.09715	10.1
91.03970	4.4
91.05486	79.1
93.07049	73.9
95.04978	21.2
95.08614	49.3
97.02898	11.1
97.06538	25.2
97.10182	11.2
99.04448	2.7
99.08088	4.3
103.03937	1.2
103.05472	3.1
105.04537	4.2
105.07038	55.2
106.07910	0.9
107.04965	15.6
107.08602	46.3
109.02200	0.9
109.02855	4.6
109.06525	10.2
109.10165	32.9
111.04411	1.7
111.08096	9.4
113.05967	1.2
113.09635	1.8
115.03983	0.9
115.05455	4.2
116.04681	0.9
116.06269	1.1
117.07028	23.3
119.04973	1.3
119.08593	41.3
120.05743	0.9
120.08170	4.1
121.06523	8.0
121.10148	22.9
123.04420	1.5
123.08076	9.1
123.11698	6.7
125.05980	1.2
125.09641	10.1
127.03922	6.1
128.06226	4.0
129.05475	3.2
129.07013	13.2
130.07761	2.2
131.08583	32.9
133.06497	5.0
133.10143	37.1
135.08076	8.7
135.11700	24.3
137.09641	12.3
137.13168	0.9
139.07614	1.3
139.11182	1.7
141.06992	4.7
141.09138	1.3
141.10291	1.0
142.07776	2.9
143.07436	1.2
143.08563	10.8
143.10735	1.0
144.09328	1.4
145.04964	2.3
145.06490	3.3
145.10141	27.2
147.08069	4.0
147.11700	17.0
149.09633	28.6
149.13274	13.2
151.11201	7.6
153.09088	1.5
155.08582	5.5
155.10658	2.8
157.10130	11.4
159.07988	1.7
159.11710	22.0
161.09618	3.8
161.13298	8.1
163.06079	0.9
163.07530	1.1
163.11188	15.7
163.14827	1.2
165.09131	1.4
165.12769	2.5
167.08427	1.5
167.10719	1.6
169.10103	5.9
171.08086	1.4
171.10249	1.9
171.11674	8.7
173.04472	2.9
173.09637	2.3
173.11739	6.4
173.13255	10.3
175.11241	4.9
175.14845	1.3
176.97569	0.9
177.12750	6.8
179.14290	4.0
181.10135	2.1
181.12204	3.8
183.11644	5.6
183.15001	1.8
185.09518	1.7
185.11761	1.2
185.13235	4.0
187.11221	3.9
187.13132	1.9
187.14828	2.6
189.11217	4.3
189.12749	1.8
189.16342	1.5
191.14340	2.0
193.12227	3.3
195.11832	1.6
195.13809	8.3
197.11690	1.1
197.13289	4.1
198.64908	1.1
199.11378	1.0
199.13222	1.9
199.14879	1.2
201.12794	2.2
201.16443	0.9
203.14322	1.1
205.12334	2.7
207.11771	1.1
207.13857	0.9
211.12979	1.1
211.14708	2.5
213.12907	1.2
213.14728	1.8
215.14268	1.4
215.18228	1.1
219.17374	1.3
223.13229	2.1
227.12695	8.0
229.02962	1.2
229.14316	14.4
229.19559	1.9
231.17206	1.1
233.15411	2.0
239.14357	1.1
239.17966	5.1
243.15871	4.0
245.19005	2.6
247.20595	3.2
251.16481	1.0
253.14349	1.9
253.18036	2.8
255.15863	14.5
257.19098	11.9
267.15924	6.5
269.14575	1.1
269.17487	30.7
273.18506	6.5
275.20093	50.6
276.20444	1.0
279.79630	0.8
285.17032	2.5
287.20157	1.3
291.19528	9.5
293.21078	3.9
297.16888	1.1
313.21738	2.4
321.24478	1.4
331.22714	3.2
339.18085	1.2
347.22406	1.3
349.23743	43.3
365.23230	7.7
367.24677	3.4
373.18713	1.5
383.24155	1.5
409.25928	6.5
423.27448	17.5
431.28131	2.3
433.30115	1.5
437.29114	3.3
447.31027	2.9
449.28976	5.0
451.32037	1.3
461.29086	1.7
463.30740	1.3
479.30130	1.5
503.33612	4.4
525.35522	3.3
527.37390	1.8
529.35181	6.8
541.35034	1.5
543.36871	31.4
544.36981	2.1
559.35956	3.2
561.37695	3.9
623.42938	7.2
641.43774	3.8
673.39636	1.3
687.40179	2.1
710.44824	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1034.5893
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02899	2.9
77.03919	3.2
79.05492	82.5
80.05833	1.0
81.03417	20.7
81.07056	100.0
83.04979	17.2
83.08617	21.1
84.08128	1.1
85.02907	13.6
85.06530	4.9
87.04485	1.3
91.03947	3.6
91.05479	92.2
91.94871	0.9
93.07043	77.3
95.01341	1.8
95.04972	22.4
95.08607	57.7
97.02888	12.0
97.06530	27.4
97.10172	15.5
98.21465	2.0
99.04453	3.2
99.08109	5.4
101.46132	0.9
103.05488	5.4
105.04519	3.9
105.07030	67.2
107.04300	1.5
107.04965	20.6
107.08595	49.0
109.02906	4.4
109.06518	8.7
109.10154	42.8
111.04446	2.2
111.08092	11.0
113.06034	1.8
113.09641	2.5
115.05469	4.8
116.02882	0.8
116.06216	2.2
117.07014	27.0
118.35040	0.9
119.04967	2.3
119.06030	1.4
119.08583	41.9
121.06520	8.1
121.09320	1.7
121.10141	24.1
123.04453	1.4
123.08062	9.1
123.11687	4.4
125.09628	14.0
127.03938	6.9
128.06216	3.9
129.05478	4.0
129.07007	13.4
130.07777	2.5
131.08569	32.8
133.06473	4.5
133.10133	36.4
135.08055	12.2
135.11693	19.4
137.09619	15.6
137.13243	1.1
139.11171	1.9
141.07014	4.6
142.07796	2.6
142.79237	1.0
143.08563	11.6
144.09303	1.0
145.04947	2.8
145.06479	3.9
145.10124	28.3
147.08122	4.6
147.11697	16.5
149.08438	1.7
149.09621	34.3
149.13258	11.5
150.10054	0.9
151.11191	5.1
153.06963	1.2
153.09103	2.5
153.12738	0.9
154.07788	1.5
155.08583	6.2
155.10635	3.1
156.09300	1.2
157.06451	1.2
157.10132	11.8
158.11031	1.3
159.08046	3.5
159.10385	0.9
159.11693	25.5
161.05954	1.1
161.09613	4.9
161.13275	10.0
163.07561	1.0
163.11169	19.9
163.14828	1.6
165.09146	2.3
165.12723	2.1
167.08537	1.7
167.10664	1.0
169.10123	8.8
171.10173	3.0
171.11687	9.3
173.04431	3.3
173.05902	0.9
173.09668	3.3
173.11743	9.0
173.13284	10.6
175.11143	4.9
175.14880	1.5
177.12741	7.8
179.10672	1.1
179.14281	7.9
181.10156	2.1
181.12207	1.8
182.10979	1.9
183.11694	6.0
185.09689	1.1
185.13231	4.9
187.11179	4.1
187.13272	1.3
187.14842	3.0
189.11208	6.6
189.12766	3.0
191.14346	1.3
193.12262	2.1
195.11722	2.7
195.13802	8.4
197.13272	4.9
199.13213	2.0
199.14876	2.2
201.12764	1.5
201.16457	1.2
205.12202	1.6
207.13899	1.2
209.13376	2.0
211.14917	1.6
213.16441	1.6
215.14435	1.4
217.14114	1.0
221.13347	1.0
221.15372	1.4
223.13249	2.4
225.16605	1.0
227.12738	14.7
227.14621	1.3
229.14304	18.1
229.19447	5.2
233.15422	2.1
235.16997	1.2
239.17972	5.3
243.15808	1.3
245.13660	1.0
245.18976	1.2
247.20596	3.9
251.16331	1.1
253.14377	2.6
253.18016	3.1
255.15721	5.9
257.19040	14.0
259.20609	2.2
263.20236	1.0
267.15860	3.2
269.17456	19.2
273.18481	8.2
275.20065	58.9
276.20435	1.3
283.20850	1.2
285.16873	1.1
287.20074	1.2
289.21872	1.2
291.19510	13.3
293.21295	5.3
299.20157	1.3
313.21640	2.6
317.21255	1.3
321.24557	1.2
331.22617	3.1
341.21277	1.0
347.22092	1.9
349.23721	49.1
350.24057	2.0
365.23346	7.8
367.24893	4.2
373.18637	1.3
383.24161	2.7
399.23706	1.0
405.26566	1.0
407.27832	1.1
409.25854	8.6
423.27417	15.2
431.27713	2.4
445.29568	2.6
447.31165	1.7
451.32474	1.2
463.30649	1.7
503.33728	10.3
511.34439	2.2
519.33350	1.4
521.34253	1.5
525.35693	2.6
527.37177	3.9
529.35193	6.7
543.36841	26.8
544.37103	1.3
559.36145	3.0
567.31573	2.4
623.43048	16.9
624.42554	1.4
639.42078	1.9
641.43579	4.3
850.10986	1.0
1016.09540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51477	1.7
72.04505	3.9
73.01141	0.9
73.02896	1.3
74.00661	5.1
74.02439	1.1
76.02233	28.1
76.03990	6.1
79.05497	13.5
80.05021	11.8
81.03423	38.0
81.05800	4.8
81.07060	12.0
82.06564	3.4
83.04967	4.3
83.06105	10.6
83.08623	10.4
84.04509	55.8
85.01134	46.9
85.02887	5.9
85.04021	4.0
86.00138	1.9
86.00652	35.3
86.06056	1.1
86.99055	48.7
87.01436	1.1
87.02670	2.7
87.04454	1.9
88.02218	5.9
91.05486	14.5
93.07056	8.9
94.06555	1.3
95.01353	1.1
95.04438	1.6
95.04972	14.6
95.08617	5.2
96.04497	5.3
97.01129	13.7
97.02878	4.6
97.06540	2.2
97.10152	4.1
98.00638	6.4
98.06055	3.3
99.01449	2.2
99.05565	3.1
100.02190	8.9
102.00120	1.1
102.03770	36.0
102.05541	24.8
104.01649	1.2
105.07043	10.0
107.04963	6.6
107.06068	2.1
107.08606	6.1
108.04469	2.9
109.05225	1.4
109.06492	3.2
109.07668	5.8
109.10165	8.2
110.06026	3.4
111.02674	1.4
111.04452	2.3
111.08080	4.9
112.01443	1.6
112.02197	28.2
112.03947	4.6
113.00591	4.7
113.05984	1.2
114.00104	2.3
114.03764	16.2
114.05515	2.8
115.02142	1.4
115.03323	1.3
116.01685	28.6
117.07007	3.3
119.04922	1.3
119.08591	8.9
120.04411	1.0
121.06512	1.8
121.10162	5.6
122.06026	1.2
123.02599	1.1
123.04396	1.3
123.08091	2.4
124.02189	7.9
124.07590	1.5
125.00554	1.8
125.09639	5.3
126.03714	2.7
126.05516	4.5
127.03941	1.3
128.07060	1.6
129.06703	7.5
130.03258	15.2
130.05009	31.7
130.07704	1.1
131.04572	3.0
131.08528	6.3
132.01140	2.8
132.04785	1.7
133.06476	2.4
133.10127	4.5
134.06036	1.7
135.04465	1.4
135.05519	1.2
135.08000	1.3
135.11661	1.7
136.03902	2.4
137.06035	1.3
137.09641	1.2
139.02138	1.2
139.03177	1.6
140.01672	5.7
140.05293	1.1
142.03235	48.4
142.04970	2.3
142.07751	1.6
143.01669	2.2
143.02751	34.7
143.04456	1.6
143.08566	1.6
144.01123	9.0
145.06047	7.2
145.10095	2.0
146.02673	1.3
147.02588	1.4
147.04453	1.2
147.08026	2.9
147.11691	6.6
149.09630	2.4
151.02080	1.7
152.01617	3.0
153.01794	2.6
153.06583	5.5
155.08154	10.8
156.06577	7.7
157.10138	5.5
158.02690	8.1
160.00607	1.2
161.09610	1.0
162.02223	19.8
162.05391	1.2
163.03867	1.1
163.11177	3.2
165.06546	1.2
165.12715	1.8
168.04794	6.5
168.06599	3.0
169.04353	7.6
169.05685	1.2
170.02699	7.4
171.02234	6.6
171.07799	2.2
171.11652	1.1
173.09276	5.1
173.11705	1.8
175.11191	7.0
176.07062	1.4
177.03290	13.7
178.01810	1.0
178.03276	1.8
179.04857	23.0
181.06120	8.0
184.06041	2.3
185.03740	7.2
187.05357	2.4
187.11145	1.1
188.03806	8.4
188.05437	1.9
189.03299	87.1
189.12717	1.2
191.10809	1.3
193.12262	15.0
196.04309	13.1
199.05312	4.7
199.07202	4.0
199.11313	1.0
199.13165	1.3
200.07864	1.2
202.04099	1.9
205.04597	1.7
205.06442	28.6
208.04291	1.1
208.06046	2.4
209.11827	1.2
211.07201	2.4
211.13280	4.5
213.03195	1.0
215.04869	40.6
217.06497	5.0
223.07896	2.3
224.03709	4.5
224.10956	1.1
227.04831	4.1
227.12817	2.7
229.14296	4.9
231.04375	4.5
232.05132	2.1
233.05933	31.8
238.07089	1.8
238.12590	1.6
241.06447	3.2
242.35880	0.9
243.04341	2.4
245.05974	11.6
247.13499	1.6
248.11093	2.3
249.14857	2.0
252.54349	1.1
257.07663	1.7
259.07520	5.9
259.13333	1.3
266.12100	7.2
267.15912	28.2
269.05936	2.9
274.10339	1.5
275.11096	2.0
283.15546	1.5
284.13141	3.4
285.17050	2.3
287.07013	12.1
287.12769	1.1
288.06583	2.8
291.06552	1.7
299.06876	3.3
305.13809	1.5
306.07544	3.4
307.08295	6.9
308.09128	25.2
320.64444	1.0
333.13342	1.5
334.10678	24.9
341.15167	3.1
345.07465	3.3
362.10178	53.4
369.14929	1.3
392.11200	1.7
407.17075	1.6
421.25656	3.0
425.17993	1.8
436.22318	1.0
443.18820	1.9
458.24298	1.0
459.27499	1.4
461.19528	2.5
475.26892	1.6
493.27692	1.4
534.21393	1.5
550.28259	2.2
586.30719	2.1
599.28265	3.9
617.29181	6.4
634.28302	1.4
635.30493	9.9
653.31158	12.9
671.32111	13.0
689.33203	15.4
707.31586	1.7
725.33112	5.0
743.33698	4.3
782.34613	1.5
782.88434	1.2
800.36603	13.6
818.37384	100.0
819.37854	5.9
833.36780	1.4
851.37067	3.3
860.37219	1.1
896.38654	1.4
962.40619	3.1
980.23560	1.4
980.42792	27.6
981.42096	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	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.8
51.02384	3.3
52.62771	0.6
53.03952	24.8
56.45309	0.6
57.03438	1.5
57.05347	0.6
58.06600	1.2
60.02135	2.8
60.08177	5.6
71.50648	0.8
75.02750	0.6
77.03938	5.0
81.03422	2.2
85.02917	3.1
88.01612	1.6
95.04975	21.8
102.04694	3.6
103.04031	4.3
103.05473	100.0
104.10748	9.7
105.04527	10.8
105.19950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01609	0.8
51.02380	3.0
53.03951	29.7
55.01867	1.3
56.96558	2.1
57.03439	1.2
60.08155	1.8
60.95853	2.0
69.85954	3.0
75.94532	0.8
77.03939	10.3
81.03423	3.5
85.02913	2.7
92.60761	0.6
95.04978	27.0
98.20840	1.1
102.04694	5.2
102.96865	1.0
103.04034	4.7
103.05473	100.0
104.05846	0.8
104.10759	2.9
105.04520	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	1018.5949
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01343	1.1
71.04989	6.1
71.08619	1.5
73.02901	2.6
77.03913	2.8
79.05492	69.7
80.05792	1.4
80.96767	0.8
81.03418	15.3
81.07054	100.0
83.04979	14.1
83.08154	1.4
83.08615	18.5
84.08161	1.0
85.02900	10.0
85.06562	4.6
91.03922	2.3
91.05479	67.5
93.07042	75.6
95.04970	16.7
95.08603	40.8
97.02887	9.4
97.06525	22.9
97.10168	10.9
99.04443	2.5
99.08065	3.9
101.06935	0.9
103.05457	3.1
104.06292	1.0
105.04478	2.7
105.07028	51.1
107.04955	13.2
107.08593	48.8
109.02860	3.3
109.06517	9.5
109.10160	20.2
109.13235	0.8
111.04417	2.3
111.08063	6.6
113.05940	0.9
113.09631	1.7
115.05457	3.9
116.06271	1.6
117.07017	25.2
118.07773	0.8
119.08579	34.7
121.06493	7.8
121.10137	24.1
123.08039	6.0
123.11752	4.9
125.09625	10.4
127.03911	6.8
128.06192	3.4
129.05490	1.7
129.06999	11.6
130.07768	1.3
131.04958	1.3
131.07593	1.8
131.08569	33.2
133.06461	3.1
133.10132	30.2
135.08060	8.1
135.11685	19.7
137.05954	0.9
137.09633	4.7
141.06969	3.2
142.07788	1.9
143.08565	9.1
145.04996	2.1
145.06464	2.6
145.10123	24.4
147.08029	3.4
147.11685	16.1
149.09624	15.6
149.13255	19.1
151.11111	4.3
154.07753	1.2
155.05952	1.0
155.08539	4.9
156.09274	1.2
157.10123	8.5
159.08017	2.3
159.10452	1.7
159.11682	21.3
161.05869	1.1
161.09599	3.3
161.13246	7.1
163.06067	1.2
163.11198	11.5
165.12715	2.6
167.08556	1.7
169.10118	6.0
169.31477	0.9
171.10223	1.7
171.11624	7.3
173.04468	5.1
173.05780	1.0
173.09578	2.6
173.13229	6.6
175.11163	3.0
177.12762	7.4
179.14253	4.0
181.10176	1.6
181.12230	2.3
183.11699	4.7
185.09697	1.6
185.13249	3.2
187.11160	3.4
187.14816	3.0
189.11182	2.6
189.12718	1.9
191.10722	0.9
191.14236	1.5
193.10210	1.0
193.12117	1.0
195.11774	2.4
195.13785	9.2
197.13225	4.5
199.14821	1.8
201.12730	2.4
201.16466	0.9
205.12183	1.0
205.15874	1.0
209.13274	1.4
210.13799	1.0
211.11212	1.0
211.14851	1.4
213.12726	1.0
213.14758	1.2
213.16574	1.3
215.14354	1.1
215.17967	1.2
217.15771	1.1
219.13855	1.1
227.12680	10.6
229.14238	2.1
229.19519	2.8
229.58733	0.9
235.16948	1.0
239.17879	4.7
245.13785	1.5
245.18982	1.4
247.20618	2.7
251.16321	2.0
253.14297	2.7
253.17882	1.5
255.15872	15.1
257.19006	11.8
259.20535	1.1
261.14798	1.3
267.15948	4.1
269.17468	52.2
273.18573	1.9
275.20056	46.7
276.20615	1.0
287.20053	0.9
291.19080	1.0
293.17868	1.8
293.21121	4.4
309.21625	0.8
315.54492	0.8
319.90610	0.9
321.24506	1.8
331.22690	4.0
349.23737	45.2
350.24115	1.1
359.07822	0.9
365.23062	0.9
367.24844	7.6
371.16809	1.3
389.26978	0.9
395.20285	1.5
409.25821	1.0
413.21826	2.1
423.27271	1.9
423.32559	1.1
431.27899	1.7
433.30902	1.1
435.27435	3.0
439.26605	1.9
445.29855	4.6
447.30942	1.3
449.29019	31.6
451.31796	2.5
461.28937	1.1
463.30554	46.6
464.30698	2.2
469.33304	1.4
485.32635	0.9
493.27924	1.3
503.33340	2.4
511.34671	1.1
513.35736	1.0
515.30035	1.0
515.37457	3.2
519.33246	1.5
525.35730	6.9
527.36920	1.3
529.35388	12.0
530.35181	0.9
531.37415	1.0
543.36829	63.8
544.36969	2.8
547.35901	2.5
561.37817	10.9
589.33459	1.7
593.32361	1.3
595.43665	0.9
607.34814	5.2
609.39606	1.0
623.43066	10.5
624.43433	1.1
641.44043	4.7
659.44751	2.1
687.40332	3.4
691.39648	1.0
705.41394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01337	1.8
71.04998	6.7
73.02904	2.4
77.03934	2.0
79.05495	74.4
81.02990	1.6
81.03423	22.0
81.07056	100.0
83.04986	13.9
83.08616	20.2
85.02901	10.9
85.06562	4.3
86.09686	1.0
87.04458	1.1
91.03936	2.1
91.05483	66.1
93.07043	77.6
95.01300	1.6
95.04974	15.0
95.08608	44.4
97.02888	9.2
97.06528	22.8
97.10168	13.4
98.07005	1.0
99.04459	2.9
99.08087	3.4
101.05968	0.9
103.05460	3.1
105.04520	3.0
105.07031	56.0
107.04951	13.7
107.08592	50.8
109.02867	4.5
109.06522	11.0
109.09465	1.6
109.10154	19.0
111.04459	2.1
111.08095	7.5
111.11723	1.2
113.09643	2.4
115.05478	3.0
116.06210	1.2
117.07014	32.4
117.20032	0.9
119.04945	1.5
119.08582	39.2
121.06512	8.3
121.10138	25.1
123.08056	6.8
123.11734	7.0
125.09619	9.5
127.03888	6.9
128.06206	4.2
129.05460	1.4
129.07013	10.0
130.07784	1.9
131.04938	1.3
131.08572	35.9
132.09285	1.0
133.06488	3.2
133.10135	33.0
135.08061	8.5
135.10703	1.4
135.11694	23.6
137.06000	1.0
137.09624	5.1
139.07498	1.1
139.11235	1.4
141.06970	4.7
142.07759	2.1
143.08565	12.5
144.09329	1.2
145.04944	2.6
145.06494	3.7
145.10115	27.7
146.10641	0.9
147.08041	4.0
147.11691	18.7
149.05952	1.1
149.09625	20.3
149.13264	16.5
151.11183	5.2
153.09158	1.2
153.12733	1.2
154.07808	1.3
155.08549	6.1
155.10580	1.3
156.09274	1.1
157.06528	1.2
157.10114	9.3
159.08020	2.8
159.11700	24.4
161.09589	3.5
161.13245	7.1
163.05934	1.1
163.11188	12.7
165.09128	1.4
165.12755	2.0
166.07715	0.9
167.08545	1.9
168.09360	1.6
169.10147	8.2
171.07941	1.8
171.10347	1.6
171.11638	6.4
173.04436	4.8
173.09595	3.1
173.11804	2.1
173.13240	9.4
175.11172	3.5
175.14780	1.2
177.12764	6.0
179.08452	1.2
179.14290	3.7
181.10135	3.4
181.12262	1.9
183.11650	5.2
184.11980	1.0
185.13283	4.9
187.11137	2.5
187.14815	2.4
189.11212	6.2
189.12740	2.0
191.14247	1.9
193.10161	1.2
195.11656	3.0
195.13777	8.2
197.13280	5.0
199.11125	1.8
199.14850	2.2
201.12665	1.6
203.14285	1.1
205.12173	1.7
209.13263	2.0
211.14893	2.2
213.12857	1.3
213.16418	2.0
215.14381	1.8
219.13855	1.1
227.12802	12.8
229.14311	2.1
229.19495	3.4
235.16974	1.8
239.17996	5.1
245.13734	2.4
247.20572	5.1
253.14255	2.1
253.17961	1.5
255.15891	15.5
257.19009	14.7
259.20572	1.5
261.14880	1.4
265.14346	1.2
267.15924	4.9
269.14529	1.5
269.17480	46.0
275.20062	52.9
276.20456	1.6
285.14578	1.3
291.19467	2.0
293.20981	4.8
301.21646	1.2
303.15936	2.0
313.21603	1.2
321.24088	1.8
327.23138	1.1
331.22696	3.4
333.24164	1.2
349.23743	50.3
350.24023	1.3
357.24210	1.0
367.24814	6.5
377.19553	1.1
413.21649	3.0
423.27328	2.4
423.32544	1.1
427.28430	1.2
431.27982	2.2
433.30374	2.0
435.27295	2.8
439.27136	1.7
445.29773	4.4
449.29034	22.7
451.31961	1.8
463.30521	33.8
464.31134	1.2
465.28616	1.3
469.32855	1.3
487.33960	1.0
503.33212	3.1
511.34570	1.3
515.37158	1.8
519.32849	2.5
525.35699	8.1
527.37164	1.6
529.35535	12.2
531.37292	1.4
543.36810	61.1
544.37103	2.9
547.35919	3.5
557.38361	1.2
561.37970	9.7
583.39801	1.5
593.32605	1.5
607.34729	3.9
623.43121	16.6
641.44250	8.5
687.40790	3.7
705.42004	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	1018.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01356	2.8
71.04998	5.6
73.02921	6.0
77.03928	1.9
79.05499	62.6
81.03437	13.0
81.07061	82.5
82.07394	1.4
83.01350	2.1
83.04990	12.4
83.08620	17.0
85.02911	28.3
85.06538	3.1
87.04477	4.5
91.03947	9.5
91.05486	42.3
93.07049	60.8
95.04976	9.4
95.08614	57.0
95.09247	1.4
96.04484	1.2
97.02896	15.6
97.06529	6.9
97.10171	17.6
98.20708	2.5
99.04465	2.8
99.08107	2.2
103.03966	1.5
103.05488	1.2
105.04538	2.4
105.07040	22.8
107.04994	5.6
107.08605	37.1
109.02887	1.4
109.06520	4.0
109.10162	83.0
111.04439	2.0
111.07391	1.0
111.08096	4.7
113.09687	1.3
115.03925	1.2
116.69041	1.1
117.07012	9.7
119.08586	23.1
121.06536	2.1
121.10143	24.1
123.08078	4.7
123.11686	6.4
125.09631	17.2
127.03916	4.1
129.05511	2.7
129.07022	3.1
131.08569	14.9
133.06505	1.3
133.10147	12.9
135.08061	1.8
135.11697	17.3
137.09644	5.4
137.13264	1.8
139.11211	2.3
143.08531	3.2
143.10661	1.8
145.04958	5.2
145.10132	15.8
147.08078	1.6
147.11690	10.7
149.09576	2.2
149.13280	8.9
153.12799	3.3
155.08566	2.3
155.10675	7.0
157.08546	1.0
157.10107	3.4
159.11673	7.4
161.13307	5.5
163.06023	4.4
163.11186	10.5
163.14850	4.5
163.86093	1.4
165.12712	1.9
166.63252	1.1
170.68765	1.2
171.11693	2.5
173.09598	2.3
173.11760	19.6
173.13283	7.1
175.14867	2.6
177.12679	1.5
177.16360	1.8
181.12250	2.8
183.11696	1.3
185.13330	2.3
187.14854	3.6
191.10635	2.6
193.12354	2.0
199.13292	9.2
199.14870	1.9
201.16393	1.9
209.11707	9.6
211.13335	2.4
213.16554	1.6
217.14343	2.6
227.12767	11.3
229.14363	71.8
243.21141	6.9
245.13840	1.6
254.74261	1.1
257.13998	1.6
259.20615	2.1
261.22171	22.1
267.15887	6.0
277.21564	1.8
283.15390	3.1
289.21616	1.4
297.22104	2.5
299.23569	1.3
301.16473	22.1
315.23291	3.1
317.24689	2.8
327.23056	2.8
333.24301	1.8
335.25818	100.0
336.26248	3.7
350.40768	1.2
363.25381	2.0
389.26633	1.2
399.23831	25.3
415.32101	1.4
459.34387	1.4
469.33044	1.3
477.35852	9.1
489.35751	27.2
543.36682	6.1
561.37939	8.9
579.38678	6.1
659.45172	40.2
660.45636	1.9
826.97131	1.1
1018.57983	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5947
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01360	1.7
71.04991	4.8
71.08629	0.6
73.02915	5.0
77.03924	1.0
79.05495	54.3
81.03421	12.5
81.07058	68.7
83.01334	1.1
83.04984	7.3
83.08620	14.7
85.02901	23.7
85.06536	3.1
87.04476	4.1
91.03954	8.3
91.04902	1.4
91.05483	36.0
93.07043	52.6
95.04962	8.0
95.08608	50.9
97.02886	12.1
97.06535	5.2
97.10176	14.0
99.04436	1.5
99.08087	1.4
101.09676	0.7
103.03951	1.4
103.05516	0.8
105.04505	2.1
105.07030	20.0
107.04940	4.9
107.08597	34.7
109.02893	1.1
109.06509	4.2
109.10160	69.7
111.04431	1.9
111.08079	4.7
113.05996	0.8
115.05441	1.0
116.04701	1.0
117.07018	9.7
119.06068	1.5
119.08582	20.9
121.06502	2.5
121.10152	25.2
123.08104	3.4
123.11714	6.1
125.09631	15.5
127.03920	4.6
127.11243	1.1
128.06187	0.8
129.05486	2.1
129.06975	2.7
131.08580	13.8
133.10144	12.7
135.08057	1.4
135.11707	15.2
137.09627	4.9
137.13268	1.7
139.11147	1.2
143.08551	2.1
143.10675	2.2
144.08971	0.7
145.04974	4.5
145.10123	11.9
147.08061	1.1
147.11696	7.9
149.09631	2.7
149.13264	7.3
151.11168	0.9
151.14915	0.7
153.12762	4.4
155.08556	1.3
155.10655	5.7
157.08818	1.0
157.10138	2.7
159.08038	0.9
159.11678	7.2
161.09607	0.8
161.13264	6.6
163.06061	4.3
163.07211	0.7
163.11180	9.5
163.14763	3.4
165.12688	1.1
167.08636	1.4
169.10139	1.0
171.11662	2.7
173.09625	1.3
173.10120	1.2
173.11739	17.7
173.13274	6.6
175.11172	1.1
175.14819	3.1
177.16426	1.0
179.14398	0.9
181.12202	3.3
183.11729	1.4
185.13272	2.1
187.14832	3.9
189.11256	1.9
191.10745	1.8
193.12231	3.4
199.13281	8.0
199.14861	0.6
201.16422	0.8
209.11748	6.5
211.13261	1.4
217.14392	2.2
227.12723	8.0
229.14357	54.6
241.19507	1.4
243.21124	7.1
245.13834	1.8
257.13889	2.8
259.20541	1.2
261.22147	21.8
265.14346	0.9
267.15866	6.0
271.20609	0.8
277.21634	1.7
283.15405	3.5
285.16922	1.3
299.23584	1.6
301.16452	18.0
315.23105	2.4
317.24759	4.0
327.23102	1.4
333.24173	1.0
335.25809	100.0
336.26093	3.6
351.25415	1.0
363.25458	1.0
399.23779	12.8
451.32303	1.1
469.33237	0.8
477.35748	7.9
487.34729	0.9
489.35800	28.6
507.36829	0.9
525.36121	0.9
527.37140	1.0
543.36694	4.5
545.38147	1.1
561.37964	10.6
579.38800	5.5
659.45221	37.1
660.45282	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	1016.5798
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02925	0.9
79.05500	45.7
81.03431	9.0
81.07063	47.8
82.07394	0.7
82.21850	0.6
83.04984	8.0
83.08158	0.9
83.08629	14.2
85.02907	5.1
85.06538	2.9
85.13147	0.6
89.23831	0.6
91.03957	1.1
91.05484	37.2
93.07050	36.1
95.01330	1.4
95.04974	11.3
95.08616	22.4
96.08968	0.6
97.02901	12.0
97.06543	10.6
97.10181	15.2
98.21582	0.9
99.04453	1.0
99.08090	1.6
99.42733	0.6
103.05501	1.5
105.04517	1.4
105.07038	25.9
107.04967	12.8
107.07872	1.5
107.08602	26.1
109.02869	2.1
109.06505	5.3
109.10163	11.9
111.04465	1.5
111.08096	3.8
113.09661	0.8
115.05463	3.1
117.07031	14.6
119.04975	1.7
119.08593	22.9
121.06506	5.1
121.10155	9.4
123.04483	0.9
123.08067	5.1
123.11725	2.8
125.09641	13.6
127.03934	2.5
128.06235	2.0
129.07025	7.7
130.07819	1.1
131.08577	16.9
133.06488	4.0
133.10146	15.1
134.07307	0.9
135.08075	6.4
135.11707	8.9
137.09650	3.9
139.11136	0.7
141.07013	2.4
142.07770	0.9
143.08571	5.1
145.04953	0.9
145.06560	1.2
145.09039	1.2
145.10130	15.0
147.08086	7.0
147.11705	7.8
149.09650	8.4
149.13268	6.6
151.11172	1.7
153.07159	0.6
153.09120	2.1
155.08545	2.0
157.10112	6.3
159.08041	1.7
159.11711	8.8
161.09619	2.3
161.13295	3.8
163.11192	5.1
165.09138	2.3
165.12720	1.1
167.08577	0.8
169.10153	2.4
169.12289	1.2
171.10156	1.7
171.11690	3.2
173.04465	1.7
173.11885	1.1
173.13312	3.2
175.11203	3.8
176.73291	0.7
177.12799	4.1
179.10695	1.2
179.14320	1.8
181.12154	0.9
183.11722	2.0
185.09653	0.7
185.13260	2.2
187.05376	0.8
187.11229	1.2
187.14789	1.5
189.11209	6.4
189.12682	1.5
193.12346	1.2
195.11774	1.4
195.13786	3.0
197.13229	2.1
199.11194	0.9
199.14853	1.0
203.14381	0.9
205.12267	2.5
211.13257	1.3
223.13298	18.4
227.12790	12.9
233.15356	1.5
239.17931	1.8
245.13852	1.1
245.19014	1.3
247.20668	1.3
249.14885	2.9
253.14297	1.3
255.15694	4.9
257.19040	6.2
261.15033	0.9
262.15640	0.6
263.20020	0.8
267.15939	2.7
269.17502	16.2
273.18539	16.0
273.21555	0.7
275.20102	21.3
279.16232	1.0
291.19565	100.0
292.19940	2.6
293.18011	0.8
293.21118	1.7
301.22031	0.7
309.20691	1.9
315.23315	0.9
331.22726	1.8
347.22058	2.4
349.23755	20.7
365.23260	46.0
366.23492	1.8
367.25052	1.6
413.21658	1.8
439.26648	1.0
447.27371	1.0
449.30222	1.0
461.29010	1.7
479.30112	0.7
491.30203	0.7
519.33472	3.7
527.33588	1.4
535.32385	2.0
541.35419	4.3
543.37018	1.4
545.26703	1.3
545.34686	15.1
557.34827	0.9
559.36365	59.6
560.36639	2.9
611.43048	1.2
621.41278	2.3
639.42639	33.3
640.42706	2.2
657.43872	4.4
679.36603	0.7
703.40149	2.3
745.64862	0.7
783.45386	1.2
801.47925	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5795
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04415	0.7
71.04945	3.2
71.12191	1.3
73.02899	1.0
77.03889	1.1
79.05495	43.3
81.03419	9.5
81.07057	47.6
81.33984	0.5
82.14920	0.5
83.04981	9.8
83.08619	12.3
85.02894	4.4
85.06529	3.2
91.03937	1.2
91.05484	35.3
92.05745	0.6
93.07046	40.3
95.04973	11.6
95.08612	19.7
97.02314	0.6
97.02892	12.1
97.05937	0.6
97.06529	8.6
97.09568	0.7
97.10169	12.8
99.04448	0.8
99.08059	1.7
103.05450	1.9
105.03400	0.6
105.04476	1.6
105.07034	27.1
107.04313	0.7
107.04961	10.0
107.08598	29.0
109.02845	2.2
109.06506	5.7
109.10155	14.3
111.04432	1.2
111.08086	4.4
115.05450	2.9
116.06192	1.0
117.07023	13.3
119.04919	1.5
119.08588	21.3
120.05737	0.8
121.06522	5.1
121.10142	13.6
123.04431	0.8
123.08054	5.1
123.11643	2.6
125.09644	10.7
127.03880	1.8
128.06172	2.2
128.51692	0.6
129.07013	6.6
130.07748	1.3
131.08578	15.7
133.06528	3.5
133.10129	19.0
134.07280	0.6
135.04453	0.6
135.08060	6.2
135.11691	8.9
137.09662	3.4
139.11172	1.4
141.06978	1.4
142.07780	1.4
143.08580	5.0
144.09335	0.7
145.04999	0.7
145.06421	1.5
145.09077	0.9
145.10135	13.2
147.07063	0.7
147.08063	6.0
147.11723	7.3
149.09621	7.6
149.13284	9.2
151.11186	4.3
152.05577	1.3
153.09114	1.2
153.12711	1.0
155.08527	2.1
156.09341	0.7
157.10133	5.3
159.07973	1.6
159.11696	9.7
161.09637	4.6
161.13252	2.0
163.05850	0.6
163.11182	5.8
165.09116	1.5
165.12732	0.9
169.10107	1.9
169.12207	1.5
171.07962	0.7
171.10196	1.3
171.11665	2.8
173.04462	1.7
173.09529	1.2
173.11829	1.0
173.13177	3.2
175.11128	2.4
177.09087	0.9
177.12755	3.3
179.14247	1.0
181.12273	1.4
183.11705	1.8
185.09459	0.6
185.13211	1.5
187.11214	1.6
187.13145	0.6
187.14810	1.2
189.11194	5.7
189.12782	1.0
191.14346	0.7
193.12260	1.1
195.11867	1.0
195.13780	5.4
197.13306	1.2
201.12691	1.2
205.12219	2.2
211.13210	1.3
223.13289	17.4
227.12776	9.7
227.17937	0.9
229.14197	0.8
229.19588	0.9
233.15433	1.1
239.17883	1.7
245.13789	0.9
245.19005	2.1
247.20569	1.0
249.14896	4.0
251.16353	1.1
253.14342	7.9
255.15712	5.3
257.19067	4.3
263.20099	1.2
267.15942	2.8
269.17496	26.9
273.18506	19.3
275.20078	17.8
283.15259	0.9
285.17096	0.7
291.19547	100.0
292.19873	2.1
293.21216	1.6
297.16675	0.8
303.45901	0.7
309.20590	1.6
315.23248	1.1
331.22696	2.3
347.22137	5.2
349.23712	13.4
365.23245	49.7
366.23633	1.5
367.24759	2.4
413.21780	1.1
439.26996	1.1
447.27191	0.8
461.29355	2.9
465.28741	1.6
479.30002	1.3
501.32391	0.8
519.33124	2.2
527.33594	1.6
535.32996	1.0
541.35303	6.0
545.34760	19.6
559.36322	98.7
560.36731	3.6
611.42944	1.2
621.41498	3.3
639.42535	23.9
657.43481	5.5
703.40399	3.5
801.47363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81327	1.8
56.96552	5.5
57.19285	1.7
58.96163	4.1
70.48157	3.4
82.99836	9.1
83.01521	14.6
84.01145	2.1
100.97176	2.4
101.00888	62.7
101.02554	16.4
102.02264	2.1
119.01928	100.0
119.03628	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
55.05513	0.8
56.96569	52.5
57.03442	4.4
58.96174	7.1
58.99788	1.7
59.05010	0.5
59.96178	1.0
59.99944	0.7
60.95855	2.2
61.02928	2.5
61.13363	0.5
64.99741	0.7
66.00527	2.7
68.00269	6.3
68.02654	1.2
69.03431	0.9
70.74281	1.1
70.74619	0.8
70.98131	2.3
70.99860	2.2
71.01328	1.0
71.02985	0.5
71.95271	5.1
72.96061	0.7
73.02911	2.0
73.94871	1.8
74.00260	3.3
75.01049	4.5
77.00793	5.8
80.00257	0.7
81.01037	1.5
82.01427	0.7
82.99850	6.5
83.00783	5.9
83.01495	3.1
84.01573	1.9
84.96033	1.8
85.02913	2.1
86.01292	0.7
88.99110	0.6
89.00797	3.7
90.01556	1.3
92.01328	1.0
96.02142	0.6
97.96829	0.6
98.01310	2.0
98.07331	0.5
98.96944	0.9
98.97591	19.6
100.02486	1.6
100.97195	5.1
100.98019	2.6
101.00890	58.4
101.02522	5.8
102.01009	1.2
102.02227	1.1
110.97577	7.5
111.00394	0.5
112.99113	0.6
116.98630	2.6
118.98209	1.7
118.99095	1.2
119.01930	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	1002.6
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01355	2.7
71.04984	7.0
73.02918	4.0
77.03931	3.9
79.05494	92.1
79.72548	1.4
81.03429	12.0
81.07059	100.0
83.04980	11.0
83.08617	18.2
85.02909	21.6
85.06547	6.4
91.03947	8.0
91.05480	76.3
92.39231	1.3
93.07045	86.4
95.04968	15.9
95.08610	75.5
97.02895	16.1
97.06532	16.0
97.10161	11.9
99.04470	3.3
99.08099	2.8
103.03983	1.7
103.05474	3.4
105.04515	2.6
105.07038	51.4
107.04951	10.8
107.08591	43.0
108.98629	1.4
109.02871	2.0
109.06536	6.9
109.10160	41.5
111.04450	2.1
111.08095	6.2
113.09628	2.6
115.05470	2.6
117.07014	19.2
119.08587	41.4
121.06500	5.7
121.10143	36.3
123.08078	9.9
123.11719	11.1
125.09650	6.0
127.03912	5.0
128.06190	2.6
129.05515	2.8
129.07022	6.8
131.08574	33.6
133.06488	2.4
133.10126	31.2
135.08032	7.7
135.11700	25.2
137.09619	10.5
137.13290	2.4
141.07008	2.2
142.07806	2.1
143.08591	7.5
145.04964	4.0
145.06451	2.0
145.10121	22.4
147.08025	2.9
147.11707	20.0
149.09613	19.5
149.13261	8.7
151.11179	4.5
155.08562	3.5
157.08786	1.7
157.10133	6.7
159.11688	16.2
161.09601	2.1
161.13235	11.0
163.11214	6.7
163.14798	3.4
165.09149	2.4
169.10123	6.0
171.11678	5.3
173.04462	3.7
173.11766	5.6
173.13272	14.5
175.11179	3.4
175.14844	4.7
176.22723	1.6
177.12762	3.6
179.14272	3.6
181.10091	1.9
183.11748	3.4
185.13297	3.8
187.13319	1.6
187.14839	5.6
189.11209	2.6
191.14317	2.0
193.12309	2.7
197.13187	2.7
199.14857	2.9
201.16423	1.4
213.16312	1.6
215.17966	2.0
217.15999	1.9
227.12811	4.6
229.14311	8.7
229.19492	2.3
239.17976	2.1
243.15930	5.1
243.21165	3.6
253.14279	3.3
255.15970	6.3
257.18997	4.7
259.20709	2.5
261.22125	14.8
267.15860	3.6
269.17450	3.3
273.18640	4.3
275.20087	33.6
285.16922	3.1
291.19540	6.8
293.21234	5.2
315.23346	1.8
317.24670	4.5
335.25797	79.4
336.26187	3.5
347.22195	3.4
349.23727	41.1
351.25369	2.3
365.23386	4.1
370.08844	1.5
373.18936	1.8
383.06750	1.5
431.31546	4.2
445.18585	1.4
489.35794	26.8
503.37448	14.4
513.39142	5.7
515.37390	10.2
529.39020	8.5
535.41608	1.9
545.38422	3.3
609.45215	45.3
625.44769	2.9
627.46069	10.7
643.45941	2.3
755.98370	1.7
770.72711	1.8
785.87909	1.6
1002.56195	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	767.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.3
60.56324	0.3
60.99311	0.3
61.98830	100.0
62.39071	0.3
63.99245	0.3
71.01381	1.7
71.50745	0.3
72.99309	0.7
73.02980	0.4
75.00872	0.5
78.91885	0.8
78.95914	0.9
80.96516	0.4
81.03483	0.3
83.05024	0.9
88.98817	0.8
89.02464	0.7
96.96014	1.8
97.02987	0.4
101.02451	0.9
109.06589	0.6
113.02467	0.5
115.09375	0.2
119.03488	0.4
123.00921	0.4
125.02469	0.9
125.09727	0.6
135.55864	0.3
161.04556	0.3
163.11349	1.1
165.12766	0.3
169.01479	1.1
169.12357	0.7
171.10193	2.1
179.10886	0.3
185.11830	0.5
197.11827	8.4
197.13528	0.6
198.12198	0.6
199.13309	0.4
201.11340	0.6
207.10275	1.8
209.11827	12.7
210.12259	0.9
211.13554	0.6
223.09828	0.4
225.11374	1.3
227.12836	1.5
235.08151	0.5
239.12936	1.5
253.09308	1.9
273.17108	1.9
274.17511	0.4
412.86655	0.3
433.21103	0.6
445.21066	0.4
451.78415	0.3
625.32861	0.3
767.39252	0.5
774.93823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1108
Annotation	Quercetin 3-O-(2'',3''-digalloyl)-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
59.01363	1.0
62.69072	0.6
65.00314	0.8
67.01896	1.1
69.23522	5.5
71.01376	2.2
75.85514	0.6
83.01386	1.4
85.02946	1.0
87.00890	0.8
89.72010	0.6
92.04868	0.6
93.03474	0.9
95.01395	2.0
97.02960	1.5
98.20670	1.3
101.02445	1.8
107.01380	6.4
108.01668	0.6
109.02933	1.3
111.00893	2.2
113.02388	1.0
121.02967	1.5
123.00880	8.2
125.02448	37.0
125.63640	0.6
126.02781	0.8
136.98785	0.7
137.02425	1.2
139.00375	3.9
140.01178	3.3
144.44215	0.6
145.02977	0.8
149.02484	0.6
151.00346	9.7
151.04059	0.7
152.00687	0.6
153.01976	0.8
161.02417	0.7
163.04012	1.0
165.01880	1.6
166.02686	0.7
166.99933	1.0
167.03519	0.9
168.00664	4.8
169.01421	50.1
170.01726	2.4
178.99899	2.3
179.03497	1.1
181.01456	0.8
183.02904	1.6
191.03490	0.7
193.01448	3.7
207.02959	0.7
211.02484	7.4
223.02467	1.1
235.02467	1.2
245.04457	0.8
253.03502	2.9
255.02940	3.4
271.02371	4.9
275.02097	1.0
278.80560	0.7
284.03149	1.2
295.04663	3.6
300.02777	13.3
300.99884	2.8
301.03506	10.2
302.03751	0.7
313.05615	14.4
314.05957	1.5
431.06473	0.7
438.04565	0.6
463.08627	1.9
465.06720	100.0
466.07095	12.2
505.29105	0.8
615.09833	15.0
616.10278	3.5
651.36987	0.7
688.81775	0.7
767.09937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99876	0.1
57.07605	0.1
61.98832	100.0
88.98812	0.4
98.19895	0.4
113.21187	0.1
156.42059	0.1
174.20288	0.1
226.99635	0.1
229.27786	0.2
253.30611	0.2
307.19208	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.11
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73206	0.9
57.61596	0.9
59.01348	1.2
63.02361	1.2
65.00304	1.2
65.90069	1.0
66.54420	0.9
71.01382	3.7
71.52340	0.9
73.02947	0.9
73.56750	0.9
74.27161	1.0
83.01373	2.0
87.00873	1.3
95.01385	1.7
96.95985	0.9
98.76781	1.0
101.02478	1.6
107.01396	8.3
111.00869	1.6
113.02436	2.3
121.02928	2.9
122.49450	1.0
123.00887	7.9
125.02448	37.0
126.02805	1.4
128.31508	1.0
137.02414	2.6
139.00386	3.6
140.01131	1.5
149.02464	1.9
151.00371	13.7
153.01830	1.6
166.99847	1.7
168.00652	5.5
169.01418	47.3
170.01764	2.0
178.99855	2.8
179.03543	1.5
183.02977	3.6
193.01384	4.9
211.02504	7.5
223.02522	1.3
227.03471	1.1
243.02910	1.3
253.03242	1.1
255.02870	4.8
271.02386	8.1
272.02859	1.6
285.04053	2.0
295.04605	3.7
300.02762	19.8
301.00089	1.7
301.03491	19.5
302.03745	2.1
303.05240	1.9
313.05624	15.2
314.06198	1.8
393.98709	1.1
463.08795	4.1
465.06717	100.0
466.07031	12.1
469.04831	1.2
472.54175	1.1
536.44592	1.2
615.09869	26.9
616.09717	6.4
644.60071	1.2
747.16077	1.1
767.10211	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	765.41
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.4
59.86254	0.6
61.98820	1.0
63.25077	0.6
63.96223	1.4
64.69701	0.6
69.77061	3.0
71.01385	8.1
73.02938	1.9
78.98594	7.4
79.95728	13.6
80.96517	73.7
87.00864	3.3
94.98084	16.2
95.01375	0.8
96.95992	1.3
97.02934	1.4
98.20663	0.6
99.00871	0.7
101.02413	3.0
106.98084	3.9
113.02370	0.7
122.97573	2.9
125.01572	0.6
125.02403	3.2
127.03999	0.8
134.97566	5.9
136.99173	1.2
148.99158	7.6
152.98633	5.5
164.98627	15.6
167.00197	0.7
181.58319	0.7
188.98628	0.7
206.99632	2.4
209.11786	1.9
225.00739	24.8
226.00983	1.0
255.23285	1.6
283.04938	0.8
313.88995	0.6
347.35138	0.6
415.34503	0.6
509.17014	3.0
537.27789	1.2
581.45300	0.7
765.40967	100.0
766.41272	27.9
791.47345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19773	0.6
59.01369	1.9
60.92178	0.6
61.98840	3.8
63.96232	2.1
69.03467	1.3
69.74921	3.5
71.01379	10.1
73.02943	1.6
78.98592	6.5
79.95735	15.9
80.96517	86.5
81.03457	0.7
87.00863	2.6
94.98092	18.3
96.96014	1.3
97.02940	1.0
98.19973	0.9
101.02448	2.5
106.98098	4.5
122.97588	4.6
125.02479	3.3
134.97606	7.1
136.99123	1.4
148.99152	7.4
152.98633	5.6
164.97314	1.2
164.98631	15.1
165.98903	0.8
179.00362	0.8
206.99733	3.7
209.11784	2.3
225.00746	22.9
255.23250	1.8
277.21542	0.8
321.77136	0.7
509.16974	2.6
532.37146	0.7
537.27527	1.6
765.40924	100.0
766.41272	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.0
59.45718	0.3
61.98829	8.1
62.36286	0.3
69.99694	1.2
71.01390	1.8
72.99294	0.9
78.95887	0.7
80.96508	0.6
85.02944	0.4
88.98798	1.4
89.02454	0.9
89.85030	0.3
101.02436	1.1
113.02434	0.8
114.10175	0.3
119.03506	0.4
125.02444	0.5
151.11328	0.3
161.04515	0.3
165.12825	0.4
169.01402	0.4
169.12201	0.3
171.10278	0.7
183.13914	5.8
193.12332	1.5
201.94496	0.3
207.10237	0.4
209.11761	0.6
211.13387	100.0
212.13721	7.1
212.15614	0.5
221.11833	0.7
223.13399	0.6
227.92448	0.3
235.08263	1.4
239.12878	0.5
253.09309	2.6
289.18103	0.8
355.25488	0.3
387.25418	0.4
429.21356	2.1
447.22336	10.0
448.22556	1.5
528.52582	0.4
530.97809	0.3
573.36340	0.3
595.24554	0.4
623.34534	3.2
624.34821	0.5
641.35376	3.2
642.36127	0.8
765.38574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.0
60.99290	3.9
61.98829	100.0
63.24018	1.3
66.10711	1.3
70.52831	4.1
71.01371	5.2
72.99303	8.2
75.00870	3.1
81.03445	1.7
83.05003	3.1
88.98804	19.9
89.02440	2.5
91.35133	1.4
96.96012	2.7
101.02436	2.4
113.02457	1.7
125.02462	6.4
137.02382	1.4
163.11324	2.2
165.12839	1.8
169.01477	6.7
169.12288	1.7
171.10222	3.0
199.13307	1.3
207.10239	1.8
209.11823	64.2
210.12238	4.5
211.13452	3.3
214.33008	1.3
227.12871	7.8
253.09285	4.7
305.38489	1.6
366.56085	1.4
381.11603	1.3
482.67654	1.5
698.09296	1.5
765.34985	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	765.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
60.01641	0.7
61.40991	0.5
61.98835	2.8
63.96233	2.0
69.03442	0.6
69.94797	0.5
71.01391	8.4
73.02953	2.1
75.28934	0.5
78.98594	7.1
79.95740	14.8
80.96522	77.7
81.03480	0.6
81.96484	0.6
87.00874	3.7
94.98090	17.4
96.95995	1.2
97.02966	1.3
101.02460	2.9
106.98074	4.2
117.94304	0.5
122.97602	3.5
123.15263	0.5
125.02486	4.0
127.03986	0.9
134.97565	5.2
136.99194	1.4
148.99155	7.2
152.98634	7.7
164.61958	0.6
164.98628	13.6
206.99728	3.4
209.11852	1.4
225.00774	22.2
226.01068	1.1
255.23254	1.2
396.38309	0.6
509.16849	2.7
537.27521	1.1
765.40985	100.0
766.41272	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	765.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76332	0.8
57.03443	1.3
57.82127	0.9
58.42738	0.9
59.01382	9.7
60.99310	7.8
61.74640	1.0
61.98833	100.0
70.85018	1.0
71.01385	10.6
71.08322	1.8
72.99315	2.4
73.02934	2.5
75.00872	6.3
78.95901	1.5
79.95711	2.1
80.96532	6.1
83.01408	1.1
85.02956	2.2
87.00858	2.7
88.88184	1.0
88.98813	41.2
89.02448	9.3
95.01394	1.8
96.96062	1.1
97.02980	2.6
97.06591	2.0
101.02438	5.0
113.02464	3.1
116.92883	2.3
119.03480	2.0
123.00889	1.5
124.62882	1.0
124.69787	1.2
125.02450	4.9
134.85826	1.0
136.33348	1.1
142.55995	0.9
151.11317	1.9
153.34999	1.0
161.04630	1.4
163.11359	1.3
165.12834	2.3
169.01405	3.0
171.10239	2.8
172.10522	1.7
179.05582	1.9
179.10681	1.0
181.12317	2.9
191.10724	1.0
207.04649	1.0
207.10303	0.9
209.11838	12.9
210.12045	0.9
210.87053	0.9
211.13387	4.5
212.13748	1.1
213.14127	1.1
225.11256	1.2
227.12871	4.2
235.08147	1.2
245.19110	1.9
263.20184	2.0
289.18069	3.3
307.19116	15.6
308.19644	1.5
397.13513	10.3
398.13818	2.0
415.14633	5.5
469.05270	1.6
607.26294	8.0
705.33368	3.2
765.33044	6.7
766.34412	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	765.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
60.99308	17.5
61.98840	1.6
69.56791	1.5
69.74255	0.2
71.01397	0.5
71.93479	0.2
72.99304	0.2
87.00874	1.4
88.00406	3.2
88.98808	100.0
89.02445	15.6
89.99139	1.0
104.26249	0.2
152.12627	0.2
152.29126	0.2
179.05669	0.2
192.35066	0.2
211.13376	0.3
223.13326	0.3
259.15533	0.2
268.45413	0.2
277.21844	0.7
277.39883	0.2
305.08707	0.2
378.02356	0.2
382.82489	0.3
397.13486	0.9
415.14111	0.3
559.63153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
60.99303	15.5
61.98830	5.2
66.21509	0.4
66.96935	0.4
67.22422	0.4
71.01384	1.3
72.99303	0.5
78.95899	1.0
87.00867	1.0
88.00410	2.5
88.98804	100.0
89.02444	9.4
89.99148	1.3
101.02438	0.5
109.06604	0.7
125.02444	0.5
163.11191	0.5
171.10312	1.1
171.55176	0.4
207.10271	1.3
209.11821	0.7
211.13333	0.5
221.11755	1.3
223.13417	3.2
225.11304	1.1
229.21199	0.6
237.11522	0.5
237.14899	0.8
239.12898	0.9
253.09242	0.7
289.18179	0.6
293.21130	0.6
307.18961	0.5
563.32166	0.5
765.40118	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	764.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93425	0.7
59.01380	17.1
61.98539	1.0
61.98832	14.2
71.01384	1.0
78.95901	24.9
79.78220	0.7
80.02655	2.1
80.96503	1.7
81.03455	2.8
82.36176	0.7
83.01373	0.9
83.05025	8.8
84.02168	2.0
95.05006	1.3
96.96968	1.0
109.06648	0.7
121.92680	0.6
122.98409	0.8
135.08093	1.1
152.99553	3.2
155.93268	0.7
163.11282	6.4
165.12849	5.5
168.04305	7.3
171.10228	0.8
181.12349	1.6
191.10757	3.1
209.11813	94.0
210.12151	7.7
223.13406	3.3
224.06868	5.4
226.12051	1.6
227.12883	14.8
228.13162	1.0
241.14426	18.5
242.14819	1.1
255.23274	79.4
256.23669	6.5
419.25485	1.4
434.19232	1.3
462.29550	1.0
480.30804	5.5
481.31219	0.8
619.35968	2.5
620.37506	0.7
645.37476	1.8
646.38318	0.8
690.43475	100.0
691.43866	24.2
704.45264	8.7
705.44720	1.7
764.39948	1.4
765.41003	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	765.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73232	0.5
55.01841	0.5
59.01379	100.0
60.01721	1.1
71.01381	11.3
73.02938	9.4
75.00871	0.6
75.11502	0.5
83.01405	2.3
83.11103	0.5
85.02972	2.3
89.02446	5.6
95.01367	1.0
96.63735	0.5
97.02973	0.5
98.19952	1.6
99.00916	0.8
101.02440	11.9
113.02425	4.8
119.03537	2.4
122.98703	0.6
131.03490	0.9
143.03510	0.9
145.44138	0.5
149.04601	1.7
151.00288	0.6
161.04565	3.2
179.05638	0.8
221.06595	0.8
284.03494	0.9
331.17615	4.2
373.18594	12.5
373.23126	0.7
374.19324	1.3
417.08289	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	764.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02121	0.1
57.30335	0.1
57.36996	0.1
58.59962	0.1
60.99308	0.4
61.98830	100.0
75.00878	0.3
86.79037	0.1
88.98807	2.3
89.02436	0.2
107.43586	0.1
109.39108	0.1
148.23767	0.1
197.11917	0.2
209.11824	0.2
211.13374	0.3
222.46681	0.1
353.71591	0.1
380.54532	0.1
514.47296	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78053	0.1
61.98828	100.0
62.48759	0.1
62.98550	0.2
63.96251	0.1
69.54829	0.2
71.01392	0.7
71.26163	0.2
73.02930	0.2
77.54955	0.1
78.98598	0.6
79.95727	1.2
80.96516	7.2
87.00878	0.2
90.02380	0.1
94.98097	1.7
97.02941	0.2
101.02441	0.3
106.98077	0.2
119.77783	0.1
122.97596	0.4
125.02424	0.2
134.97627	0.6
136.99168	0.2
146.85095	0.1
148.99123	0.7
152.98662	0.6
164.98637	1.2
173.97353	0.1
179.95808	0.1
206.99719	0.3
209.11844	0.2
225.00717	1.8
255.23396	0.3
465.92163	0.1
509.16934	0.2
764.39685	0.3
765.40948	12.1
792.28864	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69512	0.1
61.98830	100.0
62.98524	0.1
64.64702	0.1
69.64994	0.4
69.65405	0.5
71.01385	0.6
78.98608	0.5
79.95734	1.4
80.96516	6.7
94.98073	1.4
96.95974	0.1
98.19902	0.2
101.02467	0.2
103.60411	0.1
106.98109	0.4
122.97612	0.4
125.02411	0.2
134.97577	0.5
148.99164	0.6
152.98663	0.7
164.98630	1.4
206.99693	0.2
209.11842	0.2
225.00734	2.1
255.23407	0.4
284.39496	0.2
390.02972	0.1
494.98651	0.2
509.17435	0.2
638.15356	0.1
703.95428	0.2
764.39490	0.4
765.40973	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	762.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
64.95376	0.2
71.49754	0.2
71.50161	0.4
78.95879	0.6
80.96532	0.6
89.86789	0.3
94.98079	0.2
146.08275	0.2
169.26045	0.2
225.00807	0.2
238.42166	0.3
246.58908	0.2
255.23279	0.5
335.91727	0.3
412.30350	0.2
763.39661	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	763.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21575	1.2
59.01360	2.6
61.98811	4.9
65.00334	2.6
69.49075	8.9
71.01365	3.6
80.37956	1.2
81.81694	1.2
88.98750	1.6
89.02438	2.7
96.96021	2.8
98.20666	2.2
107.01383	4.5
119.03468	1.9
121.02945	3.5
123.00850	1.9
125.02461	7.3
133.02933	7.0
136.94730	1.2
149.02473	1.8
151.00342	5.9
165.01866	7.9
169.01369	9.1
175.03967	1.9
182.55664	1.1
193.01421	2.5
199.03909	1.4
199.09801	1.4
201.11333	3.1
209.11813	13.5
217.05046	2.2
227.03462	2.4
227.12959	2.6
243.02963	4.3
271.02441	28.1
272.02658	1.6
275.50546	1.2
285.04019	72.0
286.04309	4.6
287.05573	1.5
298.98627	2.7
299.01953	47.2
300.02536	7.3
314.04327	58.8
315.05023	39.3
316.05389	3.2
335.84149	1.1
477.10345	100.0
478.10544	15.8
515.28906	5.7
763.34186	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	763.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77881	0.2
58.18380	0.2
59.86712	0.2
60.99308	17.6
61.98810	0.5
62.59801	0.2
63.89122	0.2
70.64101	0.6
71.01408	0.2
82.25337	0.2
83.05022	0.3
87.00881	0.4
88.00405	0.6
88.98808	100.0
89.02449	2.5
89.99129	1.0
153.60410	0.2
157.57162	0.2
167.03758	0.2
171.10283	0.8
182.45673	0.2
209.11806	2.3
211.13399	1.0
253.09300	0.3
397.13132	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
63.96236	2.4
69.03474	0.9
71.00996	1.0
71.01374	9.0
73.02943	2.2
78.98594	9.5
79.95734	16.4
80.96516	100.0
81.03440	0.9
85.02941	4.0
87.00872	4.4
94.98087	24.9
94.98689	1.4
96.96030	1.4
97.02957	2.2
98.75620	0.6
99.00858	0.8
101.02448	3.2
104.99607	0.6
106.98087	4.4
122.97587	3.0
125.02495	3.7
127.04010	1.7
134.97612	6.1
136.70903	0.6
136.99115	2.5
138.75104	0.7
146.97618	0.8
148.99132	8.5
152.98628	9.4
155.63333	0.7
164.98625	16.2
184.86609	0.7
206.99733	3.4
207.10136	1.0
208.43434	0.7
225.00735	23.3
226.01041	0.8
255.23282	2.5
385.54337	0.7
507.15442	2.8
537.27240	0.8
574.88367	0.9
578.27618	0.7
605.46014	0.8
732.67792	0.8
763.39392	94.8
764.39722	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	761.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28339	7.3
56.84576	5.9
60.70655	6.5
61.98825	59.1
71.49780	11.5
77.19243	7.3
78.95878	10.0
90.38475	6.3
187.83557	7.2
209.11824	76.4
210.12042	7.1
211.13498	8.1
227.12839	27.9
235.08003	9.1
253.09296	14.7
255.23254	23.4
279.23285	100.0
280.23532	10.5
309.97165	6.5
327.21701	12.4
334.75726	6.6
385.82471	6.6
572.76233	7.5
661.25342	7.7
761.42651	23.0
762.49561	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35651	0.1
56.24405	0.1
57.65530	0.1
60.99302	0.3
61.98829	100.0
62.98540	0.3
71.01376	0.2
71.09118	0.2
75.00883	0.2
77.31485	0.1
78.94953	0.1
78.95927	0.3
87.86456	0.2
88.00415	0.2
88.98807	1.6
89.02453	0.2
98.20753	0.3
123.98109	0.1
125.02399	0.2
152.99655	0.2
169.01482	0.3
171.10339	0.7
172.10612	0.2
209.11943	0.3
211.13370	0.2
235.09702	0.2
295.22858	0.4
321.45303	0.2
414.03854	0.2
503.91888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.2
60.99306	0.6
61.98830	100.0
62.98538	0.3
70.50690	0.5
71.01390	0.1
76.53059	0.1
78.49048	0.2
78.95925	0.3
84.45573	0.2
87.66212	0.2
88.00407	0.3
88.98804	3.4
88.99277	0.3
89.02476	0.5
96.95990	0.1
102.77969	0.2
125.02457	0.2
136.60909	0.1
169.01413	0.2
171.10301	0.6
172.10588	0.3
182.68774	0.1
183.52399	0.1
197.11829	0.2
207.60172	0.2
209.11758	0.2
211.13478	0.3
217.08533	0.2
254.81613	0.2
384.54654	0.2
391.91898	0.2
429.51767	0.2
552.36652	0.2
653.19836	0.2
676.90302	0.2
762.35913	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98832	100.0
63.04408	0.1
63.96219	0.1
69.03448	0.1
69.47617	0.9
71.01373	0.6
72.99325	0.1
73.02968	0.2
78.98596	0.6
79.95727	1.1
79.96124	0.1
80.96519	7.9
84.49520	0.1
85.02956	0.2
87.00876	0.2
94.98086	2.0
97.02961	0.1
101.02465	0.3
106.28938	0.1
106.98093	0.4
110.30822	0.1
122.97601	0.3
125.02468	0.5
134.97591	0.6
136.99167	0.1
148.99161	0.6
151.61433	0.1
152.98653	0.5
164.98616	1.3
206.99715	0.3
225.00751	2.1
225.02800	0.2
225.11368	0.1
255.23463	0.4
272.93863	0.1
507.15308	0.3
564.74902	0.1
763.39423	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	761.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69025	6.6
61.98840	92.3
62.74244	7.8
63.15201	6.7
71.49872	9.8
71.60685	7.5
73.01521	8.8
78.95918	20.0
91.71301	8.4
97.56253	8.3
149.44109	8.0
185.38629	6.9
209.11807	68.3
227.12886	14.1
235.08142	10.2
253.09175	9.1
255.23215	20.5
279.23273	100.0
280.23593	12.9
327.21744	10.6
375.69232	8.3
379.94147	8.3
761.42584	27.2
762.48773	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
60.80706	0.7
61.98829	3.7
63.96228	1.9
67.94233	0.7
69.03428	1.1
71.01382	9.2
72.84863	0.9
73.02939	1.5
78.95907	1.6
78.98594	8.3
79.95287	1.1
79.95737	15.2
80.96518	84.8
85.02942	2.9
87.00861	3.3
93.31322	0.7
94.98093	16.9
96.95994	1.3
97.02945	1.7
98.20696	1.1
98.68932	0.7
101.02442	2.1
106.98106	3.8
122.97577	4.7
125.02433	2.6
127.04030	1.1
129.08258	0.7
134.97581	6.2
136.99181	1.8
147.51974	0.7
148.99123	8.1
152.98605	7.1
164.98648	12.5
171.10265	1.0
182.33052	0.8
206.99686	3.2
224.98676	1.3
225.00742	18.9
226.01117	0.8
255.23250	3.0
281.24829	1.8
426.64041	0.7
455.89651	0.9
505.17453	2.8
537.40375	0.8
585.93408	0.7
638.53467	1.1
761.41388	100.0
762.41754	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	761.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98811	1.4
63.96245	1.5
64.83133	0.6
69.03467	1.0
71.01375	9.3
73.02945	2.1
78.95901	1.8
78.98589	7.7
79.95734	16.9
80.96516	89.9
81.03441	1.7
85.02943	3.3
87.00873	2.9
94.98082	19.4
96.96024	1.3
97.02933	2.5
99.00838	0.8
101.02435	2.7
106.98101	4.5
122.97593	4.5
125.02437	3.1
131.56720	0.7
134.97578	6.2
136.99179	2.2
148.99138	7.6
152.98599	5.9
152.99612	0.8
164.97340	0.9
164.98643	12.3
171.10228	0.8
206.99762	3.3
209.11775	0.7
213.15164	0.7
223.13312	0.8
225.00742	18.7
226.01064	0.9
255.23221	4.6
360.36435	0.7
437.93268	0.7
505.17383	3.5
537.27393	1.1
761.41364	100.0
762.41724	26.9
774.13525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.1
61.98833	100.0
69.77558	3.3
71.01376	6.8
74.39055	2.9
78.95885	8.0
94.98055	4.7
114.22182	3.4
125.02415	3.8
152.99525	5.5
169.01361	3.6
171.10300	21.4
181.75540	3.9
192.44785	3.8
195.58847	3.4
197.11781	13.4
209.11800	5.7
211.13307	4.0
229.33368	3.5
235.07993	3.8
244.99428	3.7
253.09167	6.4
255.23296	9.0
295.22726	6.5
309.20474	5.6
311.22321	12.1
315.56924	3.7
349.93753	3.6
415.44089	3.5
612.18872	3.6
626.71100	3.7
660.33893	3.8
761.37604	4.9
761.50012	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	761.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.9
60.99303	1.5
61.98832	21.3
69.03439	1.8
70.63256	1.3
71.01370	6.3
71.50782	2.1
72.01472	1.2
72.99316	2.7
75.78072	1.4
83.01398	1.4
83.05015	5.4
84.46208	1.6
85.02944	2.1
87.00878	5.7
87.52131	1.3
88.98800	3.8
89.02446	4.0
89.75232	1.3
101.02438	3.7
107.86430	1.3
109.42905	1.3
113.02459	2.3
115.25132	1.5
116.92793	1.6
119.03476	1.6
125.02470	2.6
143.03528	1.5
152.99553	1.4
161.04620	1.7
163.11301	3.2
165.12775	2.3
169.01379	3.3
169.12346	2.2
171.10251	11.6
172.10564	2.1
173.10823	1.5
195.13887	6.9
197.11864	2.2
205.12283	5.7
209.11821	100.0
210.12083	6.4
211.13406	3.0
223.13376	62.1
224.13699	5.4
227.12843	13.0
235.08247	4.1
253.09238	9.8
271.37036	1.8
397.13565	1.7
445.20703	3.2
459.22519	10.5
633.32617	1.8
651.33234	3.7
689.90265	1.6
761.42426	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	761.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.1
61.98833	100.0
69.77558	3.3
71.01376	6.8
74.39055	2.9
78.95885	8.0
94.98055	4.7
114.22182	3.4
125.02415	3.8
152.99525	5.5
169.01361	3.6
171.10300	21.4
181.75540	3.9
192.44785	3.8
195.58847	3.4
197.11781	13.4
209.11800	5.7
211.13307	4.0
229.33368	3.5
235.07993	3.8
244.99428	3.7
253.09167	6.4
255.23296	9.0
295.22726	6.5
309.20474	5.6
311.22321	12.1
315.56924	3.7
349.93753	3.6
415.44089	3.5
612.18872	3.6
626.71100	3.7
660.33893	3.8
761.37604	4.9
761.50012	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	761.157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
59.01375	2.6
60.78997	1.0
65.44845	1.2
69.03432	1.2
69.90210	1.1
69.93734	1.0
70.25983	3.6
71.01383	4.2
73.02930	2.2
83.01366	1.2
85.02937	1.9
89.02460	1.1
93.03453	1.2
95.01392	1.4
100.76501	1.0
101.02471	1.1
104.08983	1.2
107.01396	6.8
118.63498	1.2
123.00891	9.1
124.01720	1.2
125.02444	37.9
126.02737	2.1
137.02512	1.4
139.00368	2.9
140.01089	1.2
151.00383	7.5
168.00648	3.0
169.01428	58.1
170.01750	2.5
183.04356	1.3
191.05608	8.1
193.01427	1.2
211.02473	4.0
227.03479	12.5
241.03458	2.2
243.02985	2.0
243.12337	2.0
255.02986	20.6
256.03680	2.5
257.04605	1.5
271.02325	4.2
283.02396	2.0
284.03278	14.0
285.04022	63.0
286.04349	6.0
300.02811	8.9
300.99939	1.2
301.03317	2.8
313.05655	36.9
314.05905	3.4
414.58279	1.0
423.18604	3.5
447.09253	6.1
478.32077	1.1
599.10394	100.0
600.10785	21.4
609.14008	1.3
671.03528	1.2
761.15552	20.0
762.16071	5.4
763.01794	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	761.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
60.99306	17.0
61.98832	1.9
70.69949	0.2
70.81062	0.2
71.01379	0.8
72.99327	0.3
74.95783	0.2
78.95903	0.3
87.00871	0.8
88.00401	1.1
88.98807	100.0
89.02441	3.6
89.99133	1.1
95.26038	0.3
101.02439	0.3
102.00700	0.2
111.34960	0.2
112.93748	0.2
125.09753	0.4
126.44022	0.3
159.20364	0.3
169.01405	0.3
171.10300	0.9
201.11320	4.2
202.11728	0.3
207.10194	0.4
207.60275	0.3
209.11842	2.4
210.12160	0.5
211.13385	2.2
223.09366	0.3
225.11316	0.4
227.12895	0.7
244.84926	0.3
253.09264	1.4
341.23392	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	761.1568
Annotation	Quercetin 3-(2''-galoylrutinoside)
Peak:m/z	Relative Intensity
61.98824	0.5
63.02397	2.6
64.99999	0.6
65.00318	5.3
69.57116	1.5
83.01388	3.7
93.03471	1.7
98.20632	0.6
107.01389	10.9
109.02954	2.2
119.01324	0.4
121.02966	8.3
122.03302	0.4
123.00837	0.4
125.02494	1.6
125.03219	0.3
126.31976	0.3
135.00908	0.3
137.02463	0.3
139.04005	0.8
149.02446	1.3
151.00369	36.5
152.00684	1.2
159.04576	0.6
161.02451	0.4
163.00372	2.2
164.01146	0.4
169.01425	3.0
175.03969	0.4
178.99864	15.8
180.00159	0.4
183.04535	0.4
185.06134	0.4
187.04054	0.6
193.01436	0.7
199.04102	0.4
201.05551	0.7
203.03539	0.3
206.74402	0.3
211.03957	1.3
215.03493	0.4
227.03526	1.1
229.05009	1.3
243.03015	0.5
245.04445	1.5
255.02975	3.0
256.03610	0.8
257.04504	1.1
271.02521	1.6
273.04056	1.9
273.80893	0.3
283.02530	1.0
285.03995	1.2
289.07251	0.4
299.01981	0.6
300.02701	2.4
301.03525	100.0
302.03894	9.6
378.64893	0.4
406.93466	0.4
408.13358	0.3
459.11404	2.1
475.10980	0.6
609.14301	2.8
625.03387	0.4
761.15637	4.6
762.16144	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	760.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.5
59.74474	0.2
60.49755	0.2
61.98835	100.0
62.98550	0.2
64.74613	0.2
66.41514	0.2
69.59287	0.9
69.59694	0.4
78.95933	0.4
84.14227	0.2
98.19871	0.2
125.02466	0.2
138.15733	0.2
152.38129	0.2
152.99649	0.3
165.09209	0.2
169.01500	0.3
170.95457	0.2
171.10336	0.5
172.10635	0.3
173.10915	0.3
209.11975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.83103	10.3
69.14385	95.0
74.53006	9.3
78.95911	68.0
89.38812	9.0
91.07494	10.3
100.99742	8.5
121.19981	8.6
152.99554	42.6
163.11229	9.1
171.10303	10.8
171.75603	8.7
199.13379	15.0
209.11836	35.2
227.13007	53.9
253.09235	11.5
255.23210	19.6
277.21704	75.5
279.23065	10.4
351.85822	10.7
447.21594	17.3
463.21494	21.9
545.24280	12.8
614.55798	10.9
685.74878	11.3
723.43152	17.1
759.42932	40.3
760.42383	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	759.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.83103	10.3
69.14385	95.0
74.53006	9.3
78.95911	68.0
89.38812	9.0
91.07494	10.3
100.99742	8.5
121.19981	8.6
152.99554	42.6
163.11229	9.1
171.10303	10.8
171.75603	8.7
199.13379	15.0
209.11836	35.2
227.13007	53.9
253.09235	11.5
255.23210	19.6
277.21704	75.5
279.23065	10.4
351.85822	10.7
447.21594	17.3
463.21494	21.9
545.24280	12.8
614.55798	10.9
685.74878	11.3
723.43152	17.1
759.42932	40.3
760.42383	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	759.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75277	0.7
57.03435	2.4
59.01385	6.8
60.99308	1.8
61.98826	7.5
64.18182	0.9
71.01380	7.7
73.02912	1.8
78.95852	0.8
82.95411	1.5
83.01382	1.1
83.05023	1.3
85.02945	4.5
87.00888	1.8
88.98345	1.1
88.98821	11.5
89.02454	3.5
93.55404	0.8
95.01385	1.5
95.05019	1.9
96.96040	1.3
97.02943	1.4
97.06572	8.1
101.02431	6.2
113.02450	3.1
116.92846	1.8
125.02463	0.8
125.09676	2.1
127.11280	1.2
137.09709	1.4
140.38652	0.7
151.11298	14.8
152.40805	0.8
155.10768	1.3
161.04558	1.8
163.11290	1.3
165.12865	1.1
167.10991	0.8
169.01445	1.1
169.12340	78.4
170.12704	3.8
171.10271	11.5
177.12807	0.9
183.13904	2.4
185.11813	1.8
193.12279	1.0
195.10274	2.2
197.11832	2.1
199.09705	3.4
201.11266	1.5
207.10262	2.9
209.11742	5.1
211.13409	15.5
213.11295	9.7
221.11755	2.6
225.11308	1.7
227.12767	1.5
229.12292	1.6
229.14398	9.9
230.33777	0.8
235.08279	1.8
239.12852	1.8
253.09279	5.9
291.19659	3.2
309.20749	0.9
327.21765	20.1
328.22092	2.0
341.23236	1.8
400.04926	0.9
418.69403	1.0
431.18988	1.7
435.18552	1.3
449.14661	0.8
449.20096	5.0
512.85522	0.9
759.41711	100.0
760.42041	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58048	0.9
58.00607	0.8
59.01382	35.6
71.01382	17.9
71.13760	0.9
71.14093	1.1
72.05366	0.8
72.28373	0.7
72.99303	1.1
83.52344	0.9
85.02972	4.2
88.23682	0.9
89.02448	20.2
95.01421	0.9
96.96016	1.3
101.02450	14.1
111.92091	0.8
113.02463	9.2
119.03492	8.6
131.03433	1.1
209.40863	0.9
243.10059	0.8
323.13461	100.0
324.13834	9.3
425.11673	1.1
436.45834	1.2
575.69580	1.0
612.85876	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32712	1.9
59.01366	4.3
60.33271	1.5
60.72953	1.9
60.99308	1.7
61.98827	14.6
71.01370	7.7
71.08978	3.8
76.07157	1.7
87.00889	5.8
95.78030	1.7
96.96020	2.2
101.02437	2.6
109.06555	2.4
113.02529	2.0
116.92804	2.4
125.02419	5.5
125.09702	2.0
140.47150	1.7
149.02412	2.4
163.11273	4.8
169.01376	7.8
171.10295	9.4
201.11311	24.5
207.10233	8.0
209.11824	100.0
210.12148	9.2
225.11220	11.6
227.12830	18.7
228.13080	2.2
235.08237	5.1
241.15446	2.0
253.09232	12.3
283.54367	1.9
298.98398	3.2
313.05807	1.7
344.12463	2.1
375.21738	2.1
381.31967	2.2
437.20294	3.4
445.20963	12.0
461.20612	2.6
542.60388	1.8
629.31866	4.4
637.32202	5.0
647.32568	3.7
669.30725	1.9
673.34985	4.5
759.35303	22.8
760.35590	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	757.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00323	1.1
56.10763	1.0
59.01384	11.2
61.98831	9.9
66.43717	0.9
68.99554	2.3
71.01385	100.0
72.01733	1.3
72.99310	1.2
73.02962	1.2
78.95906	14.8
85.02936	2.2
87.00866	2.8
89.02445	3.3
96.96925	1.3
99.00851	1.6
101.02477	4.9
106.50222	1.0
109.06576	3.2
112.98566	3.0
113.02435	2.4
114.93419	1.7
115.00371	2.7
115.04047	1.1
125.09670	1.2
127.11301	2.2
137.09705	1.0
145.05064	1.1
151.10025	1.0
152.99580	7.6
161.04520	2.0
163.11252	2.2
169.12283	1.0
171.10277	68.8
172.10641	4.5
181.12384	1.7
183.25122	0.9
197.11749	2.6
199.09756	8.7
199.13431	1.8
200.10112	1.1
201.11317	11.4
207.10251	11.8
211.13339	1.2
215.12901	1.4
225.11307	11.2
226.11624	1.3
227.54573	0.9
235.08257	4.7
253.09277	11.7
277.21725	95.7
278.22040	12.0
291.19751	1.1
293.21228	1.2
295.22821	1.0
300.96246	0.9
311.22244	2.5
435.18546	1.3
443.18411	1.3
445.20038	2.6
447.21515	2.5
460.76700	1.1
461.20020	2.7
462.20743	1.3
721.41510	3.2
739.42786	1.7
757.43512	18.9
758.44196	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	757.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	2.3
57.03407	1.4
57.37281	1.6
59.01381	19.1
61.98827	42.0
71.01380	99.9
72.01707	2.4
73.02926	1.8
78.95905	93.5
83.05041	1.8
85.02924	2.4
87.00849	1.6
89.02456	2.5
96.96930	7.5
99.00864	3.7
101.02431	4.6
109.06590	9.2
109.28288	1.6
113.02420	2.2
125.09722	5.4
127.11301	4.7
152.99582	45.9
159.24695	1.7
161.04530	2.9
163.11345	8.2
169.12257	1.9
171.10263	100.0
172.10536	4.6
181.08699	2.3
181.12302	5.7
193.43996	1.8
197.11827	19.9
199.09767	23.9
199.13370	6.2
201.11325	26.1
207.10255	25.7
208.10471	1.8
208.98155	2.1
209.11757	5.5
211.13438	9.0
225.11285	18.1
235.08170	4.9
243.12370	3.9
253.09215	18.0
255.23239	2.3
277.21713	78.0
278.22000	7.9
291.19446	2.0
293.21133	4.7
309.20599	6.2
311.22363	11.3
312.22607	2.0
407.18991	2.6
435.18793	5.4
445.19919	16.7
446.20380	2.1
447.21506	23.9
448.21945	4.6
461.19962	5.7
463.21115	3.6
465.22690	7.5
486.21753	1.7
503.94287	1.8
708.44714	3.4
721.41144	4.8
739.42932	3.6
757.43048	61.1
758.43011	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	757.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20193	2.1
59.01383	31.0
59.34046	2.0
60.59026	1.9
61.98832	49.5
71.01384	8.7
71.50291	3.1
72.29316	2.1
78.95904	35.8
81.75546	1.9
87.00901	3.0
96.96980	3.3
99.00902	4.7
101.02451	4.6
125.09697	3.8
127.11317	3.0
152.99585	18.8
163.11261	3.2
169.01360	2.2
171.10207	5.1
173.97765	2.3
181.12343	2.8
197.11780	4.8
199.13376	10.7
201.11331	40.2
207.10243	6.7
209.11893	3.7
211.13354	7.6
225.11331	18.7
226.11652	2.8
227.12805	3.5
228.19780	2.0
234.38464	2.2
235.08264	7.7
243.12315	3.5
253.09283	9.3
253.14557	2.2
277.21704	73.6
278.22034	9.0
291.19519	3.5
293.21191	8.3
311.22256	7.3
422.80435	2.1
445.20056	5.0
447.21402	5.1
463.21460	2.3
721.41156	6.2
739.30139	2.2
739.42303	11.3
757.43634	100.0
758.44000	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.5
61.98829	12.1
66.32133	0.9
69.46516	5.3
71.01382	65.1
72.01701	1.3
73.02939	2.1
78.72970	0.9
78.95907	14.9
85.02941	1.7
87.00864	1.8
89.02453	2.5
92.06132	0.9
96.96948	1.0
97.02943	1.6
99.00863	1.7
101.02425	3.4
109.06591	4.0
113.02435	1.5
125.09736	2.4
127.11246	1.4
142.29836	0.8
145.05080	1.1
152.99576	6.8
155.10785	1.5
161.04401	1.3
163.11229	2.1
169.12280	1.0
171.10268	40.6
172.10652	1.4
181.12321	1.8
197.11818	2.5
199.09761	9.6
201.11319	9.0
207.10254	12.1
209.11819	1.5
218.22754	0.9
225.11295	9.0
235.08247	5.4
243.12248	1.0
253.09293	9.9
277.21710	100.0
278.21994	13.4
311.22327	1.2
445.20111	1.1
447.21423	2.2
461.20105	1.5
463.21072	1.1
465.22107	1.0
586.69958	0.9
590.61932	1.0
721.41254	2.1
722.42377	1.4
739.42645	1.5
757.43451	16.2
758.43823	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	757.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87038	1.2
57.23059	1.3
59.01394	3.0
61.98832	16.4
70.51247	4.2
70.51622	1.6
71.01384	7.5
78.95904	100.0
80.56142	1.1
86.03020	1.4
86.48462	1.4
87.00901	1.6
96.96976	6.5
106.87507	1.5
111.08153	3.9
152.99582	55.4
169.12277	4.1
171.10248	5.2
181.12312	2.5
195.13930	1.7
197.11803	25.5
199.13452	4.1
201.11264	1.7
209.11821	2.1
211.13417	9.9
227.12807	1.8
227.41249	1.3
253.09300	1.7
277.21741	8.8
278.21823	2.5
291.19644	2.3
293.21191	5.5
295.22516	1.5
300.84653	1.3
309.20752	5.5
310.21036	1.5
311.22244	19.5
445.19958	18.4
446.20151	2.4
447.21500	26.2
448.22067	2.1
463.21170	5.6
465.22464	6.9
550.12714	1.5
559.71594	1.6
757.42938	48.1
758.43329	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	757.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49148	1.9
59.01368	4.6
61.98831	26.0
66.92312	1.6
71.01375	6.4
71.50614	2.5
78.95905	100.0
81.34087	1.8
96.96960	8.0
111.08134	3.9
123.68197	1.7
129.09247	2.7
134.98499	2.8
152.99577	51.9
169.12233	2.1
171.10237	5.3
180.78769	1.5
181.12346	2.1
185.52963	1.7
188.22617	1.6
197.11841	20.7
197.39069	1.4
199.13370	3.5
201.11302	3.3
208.07811	1.7
209.11736	2.4
211.13332	8.0
229.81221	1.5
277.21664	7.4
293.21277	7.6
294.21527	1.6
309.20831	7.7
311.22165	19.1
404.30823	1.9
407.30798	1.8
445.20059	17.6
446.20392	3.2
447.21564	23.9
448.21869	3.4
463.21133	5.7
465.22568	6.6
477.45459	2.3
534.59143	1.7
757.42822	54.1
758.43005	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	757.401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.7
59.01382	16.8
61.98833	20.8
69.03445	2.4
71.01379	18.0
71.50233	1.7
72.99315	2.0
73.02956	2.6
75.00896	1.0
78.91890	2.5
80.91686	26.4
81.03480	1.8
82.95415	3.0
83.01393	3.8
83.05028	4.9
84.00929	1.2
85.02950	4.0
87.00866	4.1
89.02444	7.5
95.05051	1.5
97.02933	3.5
97.06615	5.7
99.00888	2.4
101.02451	11.1
109.06561	1.9
111.00930	1.2
113.02451	5.8
119.03535	2.2
125.02463	2.4
125.09726	5.2
135.08195	1.2
141.01813	1.2
143.03380	1.3
145.05055	2.3
149.09721	1.4
151.11293	30.1
152.11624	1.5
153.01761	1.2
161.04527	3.8
163.11253	4.1
167.10789	2.4
169.12338	100.0
170.12662	4.8
171.10249	10.0
172.10660	1.0
177.12584	1.0
179.05652	1.7
179.75449	1.1
181.12347	1.9
185.11806	3.7
191.10751	1.2
195.10219	7.7
195.13951	1.5
197.11838	5.1
198.12085	1.6
198.19786	1.1
199.13374	2.9
201.11310	2.9
207.10231	7.2
208.10493	1.9
209.11845	34.3
210.12151	4.3
210.59105	1.1
211.13591	5.5
213.11327	26.4
214.11678	2.0
221.11859	3.9
225.11339	7.1
227.12914	10.7
228.13162	1.5
235.08290	6.3
237.11113	1.3
239.12750	1.0
243.04823	1.5
245.19019	4.0
253.09299	12.9
253.47133	1.2
263.20227	1.3
277.21692	7.5
278.22086	1.4
287.15070	1.4
289.18069	15.6
290.18442	1.5
291.19495	1.6
293.21185	4.8
295.22894	5.1
307.19150	11.6
308.19302	1.3
309.20667	3.5
310.20969	1.8
311.22263	8.2
312.22769	2.1
329.16217	1.7
359.21976	3.9
376.95016	1.2
396.42426	1.2
397.13541	10.2
415.14435	1.6
419.11136	2.6
431.19177	8.0
432.19388	1.3
437.12469	3.4
449.20258	13.3
450.20416	1.8
606.55963	1.2
625.65741	1.5
641.31989	2.1
671.32800	5.7
697.33008	2.8
739.39191	10.8
740.39484	3.1
757.42474	11.3
758.41803	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	757.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02162	2.4
59.01384	16.9
61.98830	100.0
69.35986	3.0
69.79544	4.0
78.95894	7.0
85.02940	3.2
89.02480	3.6
93.22889	2.8
96.96016	32.2
96.96967	4.6
98.95595	14.9
102.37122	2.6
112.98575	2.9
113.02465	3.5
121.06580	3.7
127.62221	2.9
136.90341	2.8
149.42816	3.6
152.99495	3.3
167.10812	3.7
169.12337	10.9
171.10220	9.2
183.13831	6.4
197.11786	14.8
209.11829	40.2
210.12129	12.4
211.13402	59.8
212.13881	2.8
227.12801	7.9
229.07950	3.4
229.14471	3.4
235.08244	5.4
253.09265	12.8
291.19577	3.4
309.20718	7.3
310.20892	4.9
327.21719	23.8
341.23206	6.0
390.57547	3.4
602.11682	3.3
659.32373	5.9
757.39282	18.0
758.39050	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	757.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	89.3
65.45608	10.8
70.92015	14.7
70.92339	20.0
70.99300	10.3
71.01404	18.2
78.95912	100.0
84.16276	11.0
107.93162	10.9
115.91739	13.0
138.03857	13.6
152.99599	61.1
166.06087	11.3
172.88138	12.8
201.51410	12.9
207.10237	27.7
209.11681	14.5
225.11290	45.7
277.21796	42.2
293.21350	16.7
295.22775	14.6
445.20355	22.5
461.20142	24.5
721.42432	20.5
757.41125	69.6
758.40509	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	757.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.7
61.98828	7.7
67.49896	1.1
71.01382	14.7
80.02717	1.8
81.03451	2.8
83.05034	5.2
84.02166	1.1
85.02943	1.2
87.00889	1.4
89.02458	2.5
90.99078	0.9
95.01339	1.0
97.02933	2.9
99.00854	1.7
101.02428	3.6
109.06583	17.0
113.02454	2.9
125.09705	1.3
135.08156	1.8
161.04523	2.1
161.09746	1.3
163.11301	12.2
165.12833	2.6
171.10229	3.7
181.12349	3.7
182.06882	1.1
185.11823	2.3
199.09850	2.1
201.11185	1.6
207.10255	48.8
208.10641	2.0
209.11818	100.0
210.12157	6.3
210.14819	1.1
225.11311	27.8
226.11546	2.0
227.12878	18.2
228.13315	1.7
235.08215	4.0
243.12302	1.4
253.09271	10.0
337.64594	1.0
373.03305	1.2
399.21686	2.2
417.22620	3.1
443.19312	2.7
445.21097	1.4
461.20291	12.3
462.20300	1.8
530.15472	1.1
612.44849	1.1
635.30609	4.8
636.31952	1.4
653.31671	5.5
654.32593	1.3
671.32593	13.4
672.32867	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	756.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99715	0.2
59.01378	1.1
61.34555	0.2
61.98830	100.0
62.98531	0.2
67.42493	0.2
69.77226	0.7
69.77633	0.4
71.01387	0.2
78.95905	1.7
97.06614	0.2
100.78036	0.2
101.54041	0.2
152.99600	0.6
197.11794	0.4
209.11766	0.3
211.13457	0.3
253.21596	0.4
255.23370	0.2
263.15024	0.2
277.21753	0.5
278.22079	0.4
293.21219	0.4
295.22919	0.3
316.44617	0.2
344.68951	0.2
447.21576	0.3
491.02930	0.2
579.33478	0.2
756.44824	0.3
757.43103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.1
61.98832	44.2
67.09898	1.5
69.16123	13.3
69.16530	2.7
71.01382	24.4
73.02940	1.7
81.03452	1.9
83.05025	5.5
87.00874	2.0
89.02446	3.6
91.14257	1.6
95.05047	2.2
97.02937	3.1
99.00866	7.5
101.02441	5.5
109.06572	9.9
113.02448	3.0
125.09701	3.7
161.04507	3.3
163.11296	12.2
165.12811	2.9
169.01442	2.4
171.10297	11.5
172.23119	1.6
178.51018	1.6
181.12343	14.6
185.11882	2.6
193.88033	1.6
197.12041	1.9
197.87276	1.6
199.13385	10.4
201.11418	4.0
207.10257	40.8
208.10558	3.7
209.11830	100.0
210.12206	12.3
211.13368	3.9
225.11307	59.9
226.11620	3.5
227.12891	26.0
235.08232	7.2
243.12361	14.6
253.09305	14.6
327.21799	4.6
417.22644	2.6
443.19464	2.1
445.20319	2.3
461.20355	15.7
462.20685	2.0
479.21417	11.2
479.27231	2.1
480.21927	2.3
511.23752	1.9
635.30353	4.7
653.31189	9.7
654.31274	1.9
671.32855	12.9
672.33667	3.0
689.33881	22.8
690.34552	3.2
721.36206	6.4
757.33984	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	755.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
57.03433	3.1
58.00603	1.1
59.01377	18.6
61.98822	3.0
69.03450	1.4
70.64532	2.4
71.01380	28.2
72.01703	0.8
73.02940	3.9
81.03462	1.9
83.05012	3.4
85.02947	3.6
87.00872	3.8
89.02435	4.5
95.05028	2.8
97.02941	3.0
97.06593	1.2
99.00871	2.0
101.02436	7.5
109.06583	6.8
110.03667	1.1
111.00937	1.0
111.08152	4.2
113.02439	3.5
114.34483	0.9
119.03483	1.4
123.08130	1.5
125.09715	3.4
127.11279	2.9
135.08191	1.3
139.11276	1.4
145.05057	1.1
155.10774	1.8
161.04549	3.7
161.09723	1.3
163.11258	6.5
165.12828	2.0
167.10704	2.5
169.12260	1.4
170.40833	0.9
171.10266	48.2
172.10582	1.7
179.10759	2.6
179.14308	1.0
181.12332	3.7
183.13748	1.2
185.11826	3.5
189.09132	1.3
195.13904	11.3
196.14568	1.4
197.11768	5.5
199.13397	5.2
201.11317	28.6
202.11749	1.2
207.10251	20.7
208.10539	2.1
209.11815	48.0
210.12135	6.1
211.13596	4.4
215.12921	2.3
223.13383	6.0
225.11311	35.7
226.11613	2.2
227.12910	10.1
228.13333	2.1
235.08208	5.3
243.12296	2.0
253.09283	25.3
254.09531	1.4
256.13068	1.4
273.18552	1.1
275.20120	10.7
291.19653	25.1
292.19901	3.0
293.21219	100.0
294.21600	10.1
295.10413	1.9
307.19330	1.8
308.19424	1.4
309.20667	9.2
310.20956	1.0
311.22107	1.5
335.22189	1.0
443.19037	2.7
461.20221	5.9
737.41260	5.4
755.41870	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	755.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17484	1.7
57.03468	2.8
58.00609	2.1
59.01380	27.1
61.98830	5.2
69.03471	1.9
71.01387	28.2
73.02962	6.5
75.89020	1.3
80.02666	1.6
81.03458	3.5
83.01405	2.4
83.05034	4.0
85.02952	6.2
87.00874	3.6
89.02452	7.0
95.01390	2.9
95.05036	3.3
97.02954	3.8
98.20659	4.8
99.00903	3.6
101.02435	11.0
109.02927	2.0
109.06586	9.6
111.00891	2.5
111.08154	5.0
113.02471	7.0
119.03516	1.8
121.10222	2.0
125.02415	1.9
125.09720	3.3
127.11330	4.7
137.09709	2.7
139.07559	1.9
139.11293	1.6
143.03525	3.2
151.11359	2.3
153.12895	1.7
155.10797	3.2
161.04543	3.3
163.11296	13.6
165.09302	1.7
165.12840	4.6
167.10815	3.6
169.01450	1.6
169.12396	2.8
171.10266	84.0
172.10638	2.9
179.05621	2.0
179.10809	2.8
181.12360	7.1
185.11795	4.4
189.09203	2.0
195.13876	8.4
197.11916	10.0
199.13464	8.6
201.11331	50.0
202.11562	1.8
207.10297	37.2
208.10477	3.5
209.11821	85.0
210.12157	14.5
211.13589	8.9
215.12932	3.2
223.13396	5.6
225.11328	63.9
226.11690	3.7
227.12892	20.0
228.13417	2.6
229.16907	1.9
235.08224	7.6
235.16884	2.2
243.12421	4.2
253.09297	34.1
254.09637	1.7
275.20129	13.5
289.18115	2.4
291.19656	25.0
292.20093	1.9
293.21246	100.0
294.21631	9.6
295.10410	2.8
307.19153	4.1
308.19629	3.9
309.20737	16.1
309.34552	1.6
310.20938	2.4
311.22202	5.2
407.19299	3.4
443.19012	2.3
461.20267	10.3
462.20712	3.4
479.21127	3.6
555.09735	1.9
631.53882	2.1
675.12659	1.8
737.40955	5.6
755.42621	12.8
756.42450	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	755.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83240	1.0
59.01387	4.1
61.98833	18.0
71.01392	5.9
71.50710	1.5
75.88392	0.8
78.95901	15.4
80.02695	1.2
81.03458	3.2
83.05005	4.1
85.02957	1.1
87.00855	1.2
89.02435	3.1
91.88714	0.8
101.02436	2.5
109.06604	1.2
109.31298	0.8
113.02404	1.2
115.13335	0.8
116.65641	0.8
134.14281	1.0
135.08160	1.0
143.03534	0.8
152.99594	6.5
161.04643	1.2
163.11258	3.1
165.12827	2.5
171.10178	1.8
179.05634	1.1
191.10750	1.2
197.11819	2.5
201.11388	1.0
207.10271	2.0
209.11829	100.0
210.12195	6.6
225.11290	1.1
227.12929	10.6
228.13304	1.2
235.08153	3.4
253.09286	8.8
255.31906	0.9
259.15427	1.8
277.21741	70.2
278.22089	8.1
291.19626	1.2
293.21301	4.7
295.22845	1.0
309.20761	3.2
311.22168	1.8
367.68277	0.8
443.18234	1.7
445.20068	3.3
447.21423	2.4
755.41376	6.1
756.41791	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	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
58.00591	0.5
59.01378	3.7
61.98825	0.4
68.24315	0.3
69.03433	0.5
69.90965	0.3
71.01378	3.3
72.99303	0.4
73.02945	0.9
80.02663	0.8
81.03452	1.4
83.01391	0.4
83.05026	4.6
84.02168	0.4
85.02950	0.9
87.00864	0.7
89.02444	2.0
95.05033	0.4
97.02936	0.4
101.02450	2.7
101.72790	0.3
109.06564	0.4
111.07507	0.3
111.08183	4.4
113.02439	1.4
119.03498	0.8
135.08144	0.5
145.05008	0.4
153.12857	0.8
161.04538	0.9
163.11285	4.0
165.12851	2.4
169.12334	1.9
171.10289	0.6
179.05640	0.5
181.12317	0.9
183.14040	0.4
188.43181	0.3
191.10728	1.2
193.12311	0.4
197.11824	23.4
198.12112	1.2
199.13358	1.6
209.11818	100.0
210.12154	7.2
211.13374	3.3
227.12869	12.2
228.13203	1.0
235.08180	3.1
253.09267	12.9
254.09752	0.5
263.20154	1.1
291.19669	10.4
292.19928	1.2
305.75772	0.4
309.20700	33.2
310.21100	3.8
445.20807	0.8
519.33313	0.3
545.29480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32591	0.4
55.01865	0.7
55.86279	0.4
57.03445	0.5
59.01377	5.2
61.98822	0.9
69.03456	0.8
70.98660	1.0
71.01390	3.1
73.02968	0.6
80.02684	1.0
81.03460	1.2
83.01381	0.5
83.05034	5.1
84.02182	0.8
85.02949	0.8
87.00883	0.5
89.02431	2.8
95.05036	0.7
97.02962	1.3
101.02434	3.0
109.06621	0.6
111.08170	5.9
113.02438	1.9
119.03500	1.0
125.06026	0.5
127.07693	0.5
135.08174	0.7
137.09740	0.8
153.12946	0.4
161.04546	1.3
163.11287	4.3
165.12833	3.2
169.12360	2.9
171.10263	1.3
173.89563	0.4
179.05562	0.5
181.12346	1.1
191.10733	1.0
197.11827	29.4
198.12122	1.8
199.13448	2.2
203.55197	0.4
209.11827	100.0
210.12160	6.4
211.13417	5.1
212.13591	0.5
225.11272	0.6
227.12892	12.3
228.13281	0.7
235.08273	2.4
247.20671	0.7
248.83684	0.5
253.09267	13.3
263.20233	1.7
265.18094	0.9
273.18637	0.9
291.19659	13.5
292.19986	1.4
293.21335	0.9
309.20721	37.1
310.21082	3.6
325.20242	0.5
391.00711	0.4
445.20895	0.7
501.32443	0.6
545.30048	0.8
557.33136	0.5
603.79236	0.5
715.81750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37784	0.6
59.01378	3.2
60.30569	0.4
61.98829	100.0
62.98532	1.5
63.99256	1.5
69.13011	6.1
69.57394	0.5
71.01384	4.8
78.91901	0.9
78.95905	1.8
78.98620	0.5
79.95734	3.1
80.96509	4.3
82.96091	0.8
83.05043	1.1
85.02944	0.8
87.00904	0.8
88.98820	1.5
89.02461	0.8
94.98099	0.9
96.96008	4.6
96.96965	0.8
97.02953	1.3
98.19842	1.0
99.00891	2.4
101.02448	1.5
109.06590	3.2
113.02486	1.1
125.02478	1.4
125.09742	1.1
148.99159	0.6
163.11296	2.0
169.01488	0.6
171.10277	2.2
181.12358	3.2
190.23190	0.7
190.39743	0.5
195.10329	0.9
197.11862	1.5
199.13480	1.6
200.13585	0.6
201.11302	0.6
207.10240	8.3
208.10565	0.8
209.11830	12.8
210.12164	0.6
211.13429	2.4
223.09886	1.1
225.00761	1.0
225.11299	11.6
226.11662	0.6
227.12968	1.5
235.08197	1.7
243.12358	2.8
253.09315	2.4
291.19598	1.2
309.20792	1.7
327.21793	0.8
341.23416	0.6
389.23264	0.6
461.20432	2.7
479.21622	1.3
488.97409	0.5
603.27179	1.0
625.28644	0.7
651.29401	1.2
652.31189	0.6
669.31262	2.6
670.30731	0.6
687.32385	5.3
688.32666	1.2
707.96368	0.6
719.35168	2.3
755.33978	6.5
756.33954	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	755.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	14.2
61.98828	100.0
65.84524	11.5
71.01382	10.4
78.95909	77.4
109.06575	12.8
110.98493	24.9
151.46219	12.6
152.99614	10.6
163.11279	12.2
167.01123	12.0
171.10263	13.6
195.13947	14.9
197.11812	41.2
207.10205	38.5
209.11658	21.6
210.86534	9.7
211.13327	15.9
215.12903	10.3
219.08116	12.2
223.13417	15.0
224.31609	10.2
225.11354	17.0
235.08224	20.7
253.09125	12.5
255.23293	94.6
256.23590	22.8
264.54434	9.7
277.21707	57.5
278.22159	12.4
284.76331	11.6
293.21289	53.3
295.22699	56.5
309.20761	32.0
311.22513	13.4
327.21756	14.6
388.00143	10.9
658.75665	11.4
755.44427	91.6
756.44672	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
61.98835	100.0
63.99258	0.2
70.12605	0.2
70.27921	0.5
71.01393	0.4
73.43419	0.2
80.96523	0.4
89.02453	0.2
96.96028	0.2
101.02463	0.2
125.02473	0.4
169.01476	0.5
205.49858	0.2
209.11705	0.2
282.23273	0.2
304.83090	0.2
530.18518	0.2
530.97003	0.2
665.52881	0.2
680.44788	0.2
691.55219	0.2
754.30151	0.3
755.32001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.6
59.01368	1.2
69.03461	1.8
71.01384	2.6
71.51704	0.7
72.99273	0.8
79.01894	1.3
83.01393	1.0
85.02945	2.4
93.03454	15.4
93.53349	0.6
93.98116	0.7
95.01395	4.5
96.96011	0.8
97.02940	2.1
101.02425	1.4
107.01387	5.8
107.05097	1.0
111.00891	2.2
111.42231	0.7
113.02463	3.0
123.00885	13.8
123.04531	0.8
124.01684	1.9
125.02447	80.9
126.02800	4.2
127.00441	0.9
127.02930	0.9
133.02939	0.7
135.04507	1.3
136.98785	1.5
137.02443	30.9
139.00404	4.0
140.01141	3.3
141.01970	0.7
145.94673	0.8
149.02452	0.9
151.00436	3.4
151.03987	1.4
153.01906	1.1
161.02464	4.0
163.04037	1.6
165.01910	1.4
166.99921	3.6
167.03493	0.8
168.00595	4.9
169.01421	100.0
170.01753	5.5
171.01881	2.5
172.02289	0.7
177.01959	1.3
179.03510	10.1
180.03896	1.0
191.03464	1.9
193.01382	2.3
205.01407	1.4
205.05049	1.6
207.02969	1.8
209.04552	1.9
211.00664	0.7
211.02545	1.8
221.00912	1.0
221.04442	1.1
233.04500	1.0
235.02519	1.4
263.05533	0.9
281.06628	1.8
295.04572	2.5
313.05646	2.6
315.06140	1.1
371.07809	1.0
415.06625	3.9
433.07721	21.2
434.08179	2.5
466.07474	1.0
467.07370	2.2
468.07623	3.7
469.07938	1.9
498.55338	0.8
541.09857	9.2
542.09869	1.2
585.08826	49.9
586.09204	7.4
603.09882	15.9
604.10754	2.0
755.10968	22.6
756.10999	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	753.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60874	0.9
59.01381	20.4
60.42840	0.8
61.98829	26.4
71.01389	4.0
78.95898	4.7
79.95726	1.0
80.84546	0.8
80.96516	4.0
83.04978	0.9
89.02438	1.7
101.02450	2.7
109.06599	1.2
113.02478	1.6
151.11299	3.0
152.99663	1.6
169.12314	4.3
171.10252	2.0
197.11823	81.7
198.12152	4.5
207.10306	3.1
207.79140	0.9
209.11848	1.7
225.00735	1.6
225.11295	2.1
235.06003	0.9
235.08125	5.7
236.05118	0.9
253.09258	11.2
255.23384	4.8
277.21704	100.0
278.22073	11.4
291.19604	1.4
293.21112	2.1
309.20532	1.6
415.19977	2.3
433.20700	2.5
443.18707	1.2
467.88815	1.0
513.30469	1.1
612.99506	1.0
644.17633	1.0
673.41083	1.3
699.43329	2.2
753.40662	6.7
754.41388	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	754.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
59.39238	0.2
61.98830	100.0
62.98533	0.4
63.99250	0.4
65.25162	0.2
71.01386	0.8
75.40781	0.2
78.85645	0.2
78.95929	0.3
79.95757	0.8
80.96513	1.5
83.01421	0.2
85.02952	0.2
88.98803	0.3
89.02489	0.2
90.41979	0.2
94.98071	0.6
96.96014	1.7
97.02975	0.2
101.02454	0.3
113.02470	0.2
115.82442	0.2
118.21534	0.2
118.63826	0.2
125.02455	0.5
148.99240	0.2
164.98653	0.3
168.72417	0.2
169.01489	0.5
169.12437	0.3
171.10298	0.4
185.79416	0.2
201.11407	0.2
207.10339	0.4
209.11862	3.3
210.12213	0.3
211.13414	0.7
212.77020	0.2
213.11456	0.2
225.00813	0.4
225.11372	0.2
229.14417	0.2
235.08269	0.3
247.09500	0.3
253.09174	0.5
309.20468	0.3
327.21756	0.5
443.05927	0.2
458.46722	0.2
530.27563	0.2
607.04047	0.2
672.34088	0.2
736.39447	0.3
737.30725	0.2
754.33490	1.5
755.32709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
56.09440	0.9
57.03433	2.0
59.01108	1.3
59.01382	14.1
61.98831	3.9
69.03445	1.4
71.01378	9.0
71.05009	1.1
73.02957	1.7
75.34579	0.7
80.02661	1.8
80.86506	0.8
81.03442	3.2
83.01376	2.1
83.05038	6.6
85.02911	2.6
87.00858	2.4
89.02422	5.0
92.03584	0.8
93.03455	0.8
95.01396	1.0
95.05013	1.9
97.02957	8.9
97.06596	1.4
99.00872	1.0
101.02442	9.0
106.04258	1.3
108.63020	0.7
109.06598	23.6
110.03717	2.7
110.06877	1.2
111.04482	0.8
111.08147	7.3
113.02442	3.6
119.03461	1.1
121.06582	2.3
123.04484	2.5
123.08154	0.8
125.09719	2.1
129.01900	0.8
135.08131	5.8
136.05316	1.4
137.09703	1.8
142.02710	1.8
143.03459	0.9
161.04567	3.0
161.09697	1.7
162.10028	0.9
163.11301	19.2
165.09180	0.8
165.12833	4.3
167.10799	1.0
169.12280	2.5
171.10262	2.4
175.11330	0.8
178.69406	0.8
179.05585	1.3
179.10735	1.3
181.12303	6.0
183.13957	0.9
185.11786	2.9
189.09200	2.3
191.10764	2.6
191.14412	3.7
197.11830	32.1
198.12125	3.2
199.13313	1.6
207.10252	72.5
208.10612	6.0
209.11823	100.0
210.12161	7.7
211.13390	6.3
225.11320	27.7
226.11595	3.3
227.12897	13.2
228.13214	1.2
235.08150	6.5
237.11244	1.2
240.28250	0.8
245.19000	6.1
253.09291	26.0
254.09717	2.6
263.20099	3.4
271.72534	1.0
273.18274	0.9
289.18079	34.1
290.18369	3.6
291.19672	13.9
292.20050	2.3
293.21124	1.3
299.15085	1.4
307.19141	26.1
308.19434	2.8
309.20709	46.0
310.21085	5.1
333.97391	0.9
400.56094	1.1
443.19040	3.6
461.20270	6.7
462.20428	1.5
499.31470	1.0
517.31519	1.2
545.29474	1.3
637.31409	1.7
735.40155	1.3
753.40619	27.7
754.40857	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	753.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.1
59.01104	1.4
59.01379	15.4
61.98827	8.9
69.03447	1.2
70.97517	2.0
71.01379	7.4
73.02938	2.8
78.67937	0.8
79.35882	0.7
80.02684	2.2
81.03471	2.9
83.01370	1.1
83.05032	5.3
85.02945	3.2
86.79053	0.9
87.00892	2.1
89.02438	5.7
95.01368	1.2
95.05035	1.4
97.02953	11.9
97.06573	2.1
99.00873	2.1
101.02457	7.6
107.05015	1.1
109.02927	1.0
109.06597	29.1
110.03717	2.3
110.06956	1.1
111.04539	1.0
111.08151	8.4
113.02452	4.0
119.03471	2.3
121.06542	1.4
123.04527	2.1
125.09712	2.1
127.07675	1.4
135.08131	3.6
136.05365	0.8
137.09709	1.6
142.02655	1.5
145.10187	1.2
151.11301	1.6
153.12840	1.3
161.04584	3.5
161.09695	3.0
163.11298	22.9
164.11559	1.6
164.50288	0.9
165.12834	3.8
169.12315	3.6
170.64453	1.0
171.10265	4.9
179.10771	1.9
181.12321	5.8
189.09209	3.5
191.14481	1.2
197.11841	39.8
198.12196	1.7
199.13318	1.4
207.10258	100.0
208.10588	6.8
209.11827	41.7
209.13435	0.7
210.12166	3.2
211.13390	7.6
223.09764	1.3
223.13539	0.9
225.11320	53.3
226.11600	3.2
227.12883	6.8
227.24681	0.9
235.08292	6.6
245.19040	1.7
247.20775	1.5
253.09306	26.6
263.20151	3.1
273.18304	1.0
289.18143	5.2
291.19681	24.1
292.20078	2.7
293.21124	2.8
299.14993	1.0
307.19159	8.6
309.20721	67.4
310.21109	8.3
405.73132	1.0
443.19165	5.8
461.20248	16.0
462.20712	1.2
545.29895	1.9
735.39685	2.7
736.39886	1.4
753.40613	42.8
754.41187	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	753.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.9
58.00608	0.9
59.01379	14.6
61.98833	10.8
69.03465	2.0
71.01389	9.8
73.02941	2.8
75.00875	2.5
80.02688	2.9
81.03454	3.5
83.01387	1.6
83.05026	6.2
84.02151	1.1
85.02965	2.6
87.00883	1.2
89.02439	4.9
90.55476	1.0
95.05078	1.3
96.93111	1.2
97.02951	5.9
97.06574	2.5
101.02443	7.9
109.06597	21.5
110.03706	2.0
110.06876	1.3
111.00845	1.4
111.08146	7.3
113.02467	3.4
119.03505	1.3
121.06583	1.2
123.04533	1.5
125.09727	4.8
127.07599	1.0
135.08145	3.6
137.09695	1.5
142.02702	1.4
151.11304	1.8
153.09348	1.2
161.04521	2.7
161.09737	1.9
163.11285	17.9
165.12859	4.2
169.12335	3.1
171.10278	2.8
179.05653	2.0
179.10776	2.4
181.12360	4.6
185.11809	2.9
189.09204	3.0
191.10825	2.4
191.14426	2.6
197.11833	40.9
198.12161	3.7
199.13419	2.9
207.10249	59.4
208.10612	4.1
209.11827	100.0
210.12169	6.4
211.13316	6.3
225.11317	29.6
225.13586	1.4
226.11646	2.6
227.10728	1.6
227.12878	14.6
235.08220	6.7
245.19104	6.3
253.09296	27.1
254.09607	1.9
263.20172	6.6
289.18094	27.5
290.18466	3.0
291.19672	14.3
292.20081	1.8
293.21301	1.5
307.19144	28.5
308.19537	2.3
309.20700	44.3
310.21121	5.3
367.95892	1.1
378.42932	1.2
443.19070	2.6
444.19553	1.2
445.20978	1.3
461.20227	9.3
462.20786	1.5
499.30426	1.9
543.28455	1.2
735.39398	3.2
753.40662	29.8
754.40765	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	753.392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.4
57.85937	0.3
59.01389	1.6
61.98833	100.0
62.98528	0.4
63.99245	0.5
69.03460	0.3
70.15310	0.3
71.01384	6.1
72.01748	0.3
73.02936	0.4
78.91920	0.4
78.95904	0.5
78.98591	0.3
79.95753	1.1
80.02705	0.4
80.91701	0.4
80.96522	3.4
83.05029	0.7
83.98212	0.3
85.02935	0.5
87.00909	0.4
89.02457	0.4
94.98098	0.6
96.96029	2.8
96.96976	0.3
97.02966	0.7
99.00874	0.6
101.02467	0.6
109.06595	1.6
113.02450	0.4
119.30508	0.3
125.02462	1.0
125.09665	0.4
141.36954	0.3
148.99228	0.4
157.72925	0.3
161.04607	0.3
163.11275	1.5
164.98608	0.4
165.12918	0.4
169.01488	0.5
171.10291	2.2
181.12360	1.0
185.11864	0.3
199.13387	0.3
201.11388	0.7
207.10280	3.6
209.11836	9.8
210.12260	0.6
211.13504	0.8
225.00807	0.8
225.11308	3.5
227.12959	1.3
233.35126	0.3
235.08257	0.5
243.12447	0.5
253.09293	0.8
254.09497	0.3
289.18423	0.4
325.20480	0.5
461.20523	1.0
653.32526	0.5
671.32764	0.7
689.34052	0.5
721.36932	1.3
753.33313	3.5
754.34033	0.7
773.31390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03067	0.3
59.01373	1.8
61.98830	100.0
62.98547	0.7
63.96243	0.5
63.99266	0.5
71.01385	3.0
72.99294	0.3
73.02948	0.6
78.95907	0.7
78.98607	1.2
79.95738	26.4
80.96516	21.6
80.97008	0.5
81.03445	0.4
85.02957	1.1
87.00897	1.1
88.98826	0.4
89.02437	0.5
94.98088	4.6
96.96006	2.5
97.02962	0.7
101.02460	1.1
106.98103	0.9
109.06590	0.4
111.94739	0.3
113.02473	0.4
116.92892	0.3
122.97549	1.9
123.00931	0.4
125.02464	2.6
127.04010	0.7
134.97592	1.3
136.99147	0.9
139.00407	0.3
148.99142	1.9
152.98627	2.0
154.81943	0.3
161.04564	0.6
164.98619	3.0
165.12802	0.3
169.01413	1.8
170.01781	0.4
171.10246	0.6
171.22499	0.3
172.80276	0.3
179.00105	0.3
183.57617	0.3
206.99683	2.0
209.11826	2.9
210.12183	0.6
225.00734	7.8
225.11241	0.4
241.00220	0.7
253.65836	0.3
273.17081	0.4
283.04843	1.2
299.04422	0.4
300.99875	0.3
341.05399	2.4
355.07364	0.4
397.11978	0.4
425.14896	1.9
480.15225	0.3
481.17038	0.3
483.15082	0.8
507.15198	0.5
509.16766	1.7
525.16156	0.5
539.18207	0.4
551.18555	0.4
567.24109	0.4
568.18555	0.5
581.18597	0.4
595.21021	0.5
601.23846	0.4
609.22089	1.0
651.27246	1.5
652.26831	0.7
679.93701	0.4
707.29199	0.8
735.28912	9.6
736.29266	2.1
753.29956	12.2
754.29913	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	753.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49210	0.3
59.01381	1.9
61.98830	100.0
62.98537	0.5
63.99259	0.4
69.21958	2.6
71.01386	2.2
73.02969	0.3
75.00911	0.4
78.95887	0.4
78.98577	0.5
79.67416	0.3
79.95737	12.6
80.96516	19.8
81.03491	0.4
83.05029	1.4
84.02162	0.3
84.50134	0.3
85.02966	0.8
87.00893	0.8
89.02433	0.7
94.98107	1.6
95.95265	0.5
96.96013	13.9
97.02956	0.5
101.02460	1.2
106.98075	0.4
109.06564	1.0
113.02422	0.8
116.92863	0.5
123.00886	0.6
125.02441	2.7
134.97603	0.6
136.80675	0.4
142.55270	0.3
148.99124	0.6
152.98505	0.4
159.71245	0.3
163.11285	1.4
164.98605	1.0
165.12788	0.6
169.01434	2.7
169.12329	0.8
171.10265	0.6
181.12352	0.7
197.11795	1.5
198.12125	1.1
207.10318	2.0
209.11827	15.4
210.12236	2.0
225.00803	1.8
225.11322	1.0
227.12880	1.4
229.09026	0.4
253.09354	0.9
515.25452	0.4
525.16150	0.6
565.22437	0.6
591.24890	0.5
689.32971	0.6
721.35284	0.8
735.29327	2.8
753.29822	35.7
754.16785	0.4
754.30249	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	753.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82084	0.4
59.01379	2.4
61.98831	100.0
63.99252	0.5
71.01387	6.4
71.05017	0.5
73.02945	0.9
75.00885	0.6
78.91909	0.5
78.95918	1.4
79.95739	2.0
80.02699	0.6
80.54018	0.4
80.91689	4.4
80.96519	8.5
80.96963	0.7
81.03479	0.5
83.05045	0.8
85.02959	0.4
87.00893	0.6
89.02444	1.1
89.51003	0.4
94.86497	0.4
94.98078	2.2
96.96014	3.8
97.02993	0.4
97.06668	0.4
98.42501	0.4
99.00903	1.0
101.02456	1.1
109.06625	1.5
113.02461	1.0
123.99496	0.5
125.02452	1.2
125.09708	0.5
134.97653	0.5
135.08180	0.4
136.05283	0.4
140.95303	0.4
148.99100	0.9
152.98552	0.6
163.11319	1.6
164.98654	1.4
169.01468	0.5
169.12340	0.6
171.10304	2.2
176.10831	0.4
181.12444	0.7
185.11844	0.7
197.11902	1.4
199.13486	0.8
201.11440	0.7
207.10251	4.2
208.10641	0.5
209.11819	13.4
210.12244	1.4
211.13435	1.6
225.00694	2.1
225.11343	3.9
227.12961	1.7
235.08028	0.5
243.12398	0.6
253.09344	1.1
335.88373	0.4
461.19992	0.8
653.32159	0.6
671.33264	0.5
689.34644	0.8
721.36725	2.1
722.36212	0.6
753.33313	9.1
754.34241	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	752.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63052	1.9
53.65369	2.1
55.63756	1.9
55.65356	1.9
59.01386	3.5
62.10632	1.8
71.50761	3.0
78.95908	55.8
79.95743	2.4
80.96522	11.0
82.96117	2.2
94.98110	4.4
96.97013	2.5
110.98546	4.0
113.09780	2.8
122.97557	10.0
132.98563	2.0
152.99612	37.7
169.53561	2.4
171.10315	3.5
183.13960	6.1
195.13959	9.2
223.13579	2.9
235.17087	5.8
255.23286	3.8
256.23639	2.9
275.17316	2.1
275.20291	6.5
277.21692	38.5
277.24408	3.0
278.22028	3.4
279.23303	100.0
280.23737	9.2
293.17978	3.4
293.21237	58.1
293.24438	3.7
294.21811	6.7
295.22794	36.6
296.23251	2.6
325.20322	5.8
339.60303	2.5
347.26016	4.9
421.84091	2.2
472.25317	3.3
476.27554	2.6
627.49036	2.6
752.49219	83.4
753.50092	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	753.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.7
61.98807	1.3
71.01382	2.3
71.51984	2.5
83.45399	1.2
84.58670	1.3
101.02431	2.3
107.01392	1.6
111.00846	2.1
121.64864	1.4
123.00864	3.2
125.02462	15.2
139.00348	2.4
140.01132	2.8
152.10654	1.4
168.00594	5.0
169.01427	19.4
183.02988	100.0
184.03401	3.2
241.03502	1.7
269.04550	2.1
313.05307	1.7
315.40277	1.6
331.17844	1.4
335.04117	19.5
336.04419	1.5
373.18790	2.0
469.05231	23.9
507.57446	1.4
530.64203	1.7
601.11273	3.8
601.20551	1.9
658.29565	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	752.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98524	0.3
63.44468	0.1
69.14886	1.3
71.01398	0.1
80.82543	0.1
81.22099	0.1
104.72128	0.1
107.97858	0.1
151.63513	0.1
171.10194	0.1
186.48488	0.1
197.11769	0.2
207.10332	0.3
209.11903	0.2
211.13345	0.2
225.11391	0.2
329.81265	0.1
397.55453	0.1
648.45782	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.1
59.01383	20.4
61.29137	1.8
61.98832	17.3
69.03449	4.5
71.01378	16.9
71.49949	3.1
73.02930	2.6
81.03432	4.3
83.01392	3.2
83.05035	8.6
85.02937	5.5
87.00869	2.5
89.02438	7.6
93.03461	2.2
95.05013	3.3
97.02939	4.0
97.06570	4.1
97.54645	1.6
101.02448	9.7
109.06587	4.9
110.03703	2.8
111.04502	2.1
111.08148	6.4
113.02444	5.3
119.03458	3.1
123.04487	2.6
125.09689	3.8
144.33647	1.9
145.05119	2.5
149.09673	2.1
160.26341	1.7
161.04529	5.5
163.11214	2.1
167.10759	6.5
171.10258	3.7
175.11214	2.1
177.12859	9.8
179.05611	1.9
179.10823	3.2
179.14397	2.9
195.13904	21.3
196.14050	1.8
197.11816	6.5
203.10745	2.1
205.12276	7.5
207.10265	7.4
209.11821	5.4
211.13397	7.8
221.11824	66.0
222.12117	4.4
223.09755	5.0
223.13380	62.3
224.13739	5.7
225.11243	5.9
235.08189	5.7
239.12877	100.0
240.13243	10.8
253.09262	28.8
275.20157	8.4
277.21841	2.7
282.89450	1.8
291.19656	52.2
292.20053	5.4
293.21234	91.7
294.21619	9.0
307.19083	2.7
309.20654	8.5
457.20792	6.4
475.21863	12.3
648.07178	1.9
684.26410	1.8
733.38898	1.9
751.41333	13.7
752.42084	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	752.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
68.24088	0.2
78.68735	0.1
100.79357	0.2
115.29669	0.2
209.11885	0.2
315.74405	0.2
773.20844	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.3707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.4
61.83886	0.1
61.98830	100.0
62.98563	0.2
71.01402	0.3
74.90377	0.1
78.95916	0.3
83.05055	0.1
93.03457	0.2
101.02426	0.3
109.06594	0.2
117.07040	0.2
119.08687	0.3
125.09772	0.2
126.24075	0.1
135.08182	0.5
163.11334	0.3
164.14436	0.1
171.10281	1.5
197.11821	0.3
207.10315	0.4
209.11819	3.5
211.13428	0.3
225.11331	0.7
227.12975	0.6
229.08315	0.1
235.08363	0.2
240.81329	0.1
253.09348	0.7
289.18027	0.8
307.19208	0.4
309.20798	0.5
525.27441	0.3
679.52588	0.2
753.40973	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24497	0.4
53.32637	0.3
55.01886	0.4
57.03451	1.0
58.00605	0.6
59.01373	8.4
59.01655	0.6
61.98833	1.6
69.03452	2.8
69.27921	1.9
69.28355	1.6
71.00999	0.7
71.01376	6.3
71.05026	0.6
72.99310	0.6
73.02955	1.1
81.03455	0.5
83.01379	0.8
83.05023	1.3
85.02955	1.7
85.06628	0.6
87.00882	1.0
89.02447	4.0
93.03438	0.7
95.01341	0.4
95.05005	1.0
97.02982	0.8
97.06599	0.8
101.02438	5.2
109.06605	1.5
111.08154	9.1
112.08522	0.6
113.02445	3.1
119.03522	1.2
125.09697	1.0
127.07665	0.8
137.09735	0.5
140.83850	0.4
141.09206	0.8
145.05144	0.5
149.09698	0.7
151.11272	1.1
153.12862	0.9
161.04535	2.8
161.09691	0.5
163.11261	0.7
167.10728	3.2
169.12347	3.9
177.12852	1.4
179.05602	1.0
179.10851	1.9
179.14413	2.8
181.12366	1.6
193.12280	0.4
195.13916	11.0
195.15805	0.6
196.14282	0.7
197.11821	46.4
198.12170	2.9
199.13408	3.8
205.12321	9.5
206.12686	0.6
207.10143	2.1
209.11845	1.6
211.13388	7.4
212.13695	0.6
221.11792	2.1
223.13382	100.0
224.13713	8.8
225.11269	1.8
227.12878	1.4
235.08253	4.6
236.08517	0.4
239.12865	1.4
253.09276	23.7
254.09641	1.3
263.20123	3.5
264.20435	0.5
265.18091	1.3
273.18597	1.0
289.18103	0.6
291.19650	19.5
292.20044	1.8
293.21182	1.2
305.17465	0.4
307.18991	0.8
309.00720	0.4
309.20694	65.6
310.21057	8.0
394.81729	0.4
433.20496	0.6
459.22318	9.8
460.22745	1.2
515.33881	1.3
527.28381	0.6
534.61548	0.4
545.29504	2.3
751.41022	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	751.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
58.00607	0.4
58.94186	0.3
59.01378	6.5
61.98811	0.7
69.03450	2.8
69.97308	0.3
70.00772	1.3
70.01140	0.6
71.01379	5.2
71.05015	0.8
73.02950	1.0
74.07279	0.3
83.01394	0.7
83.05024	0.9
85.02951	1.3
85.06586	0.5
87.00880	1.1
89.02444	3.1
93.03468	0.5
95.01424	0.4
95.05021	0.6
97.02949	1.0
97.06632	0.5
99.00854	0.5
101.02439	4.3
109.06590	1.0
111.08158	6.9
113.02441	2.1
119.03477	0.8
121.40226	0.3
123.08095	0.5
125.02423	0.4
125.09689	0.9
127.07677	0.3
137.09760	0.5
141.09280	0.3
145.05023	0.8
149.09708	0.8
151.11272	0.5
153.09283	0.5
153.12860	0.9
161.04553	2.5
161.13315	0.6
165.12819	0.3
167.10770	3.3
168.11195	0.4
169.12386	2.3
171.10278	0.6
177.12880	0.7
179.05592	0.7
179.10765	1.5
179.14398	2.6
181.12314	0.8
183.13853	0.3
195.13902	9.9
196.14307	0.4
197.11824	37.7
198.12138	2.0
199.13397	1.9
205.12325	10.7
206.12666	0.9
207.10286	0.9
209.11803	0.6
211.13403	4.6
221.11916	0.4
223.13387	100.0
224.13721	7.5
225.11270	0.8
227.12866	1.2
235.08238	5.3
235.10475	0.6
236.08635	0.4
247.20644	0.4
253.09285	14.9
254.09564	0.7
263.20215	1.5
265.18015	1.1
273.18634	0.6
291.19647	14.0
292.20007	1.3
309.20700	44.6
310.21069	5.0
310.78064	0.3
347.20996	0.3
433.20868	0.4
441.21347	0.6
459.22314	10.1
460.22702	1.8
515.33911	0.9
527.28473	0.5
545.29504	1.3
546.30396	0.3
751.41736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.394
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47696	1.0
61.98823	3.4
69.77599	4.3
69.78017	2.7
71.01384	8.4
73.02956	1.9
78.95906	7.8
78.98590	5.2
79.95730	11.0
80.96518	76.3
81.03467	1.4
85.02945	2.8
87.00861	3.6
88.49122	1.2
93.59346	1.2
94.85998	1.1
94.98081	17.4
96.96014	1.2
97.01985	1.1
97.02928	2.2
98.20629	2.2
101.02453	3.5
106.98082	2.5
122.97569	3.6
125.02441	3.4
134.97572	6.3
148.99117	7.2
152.98650	4.2
164.98625	14.3
169.12334	2.9
178.88414	2.5
196.89523	19.0
197.11882	1.9
197.89528	1.5
206.99744	3.2
225.00754	22.7
255.23254	2.4
348.82364	1.2
495.15356	3.1
569.85034	1.1
632.52338	1.2
751.39575	100.0
752.39905	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.7
61.98832	85.5
63.48482	0.9
69.03455	1.7
71.00661	2.4
71.01382	6.8
73.02957	1.4
78.92550	1.0
80.96513	1.8
81.03447	2.9
83.05024	9.3
84.02170	1.2
85.02946	2.0
89.02451	3.5
96.96027	1.2
97.02983	1.0
101.02438	7.2
104.26858	1.0
107.01410	1.4
113.02439	2.5
119.03480	1.9
125.02407	4.4
151.11264	1.9
153.12816	1.6
161.04524	1.5
163.11311	7.0
165.12863	3.4
169.01401	4.4
169.12338	30.7
170.12651	2.2
191.10704	1.3
197.11835	58.2
198.12183	3.2
209.11830	100.0
210.12112	7.0
227.12846	6.7
253.09268	5.9
383.27240	1.2
407.39407	1.1
418.18436	1.2
472.45547	1.1
599.23486	2.4
687.32281	25.5
688.32288	5.9
719.34900	50.3
720.35199	10.3
751.25879	1.9
751.37494	47.8
752.38184	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	751.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27427	2.1
61.98823	2.8
69.99306	9.9
71.01376	10.4
74.72558	2.3
78.95898	24.7
78.98595	5.8
79.95737	12.1
80.63145	1.9
80.96516	75.1
85.02961	4.9
94.98079	18.3
100.67577	2.0
101.07868	2.4
106.98083	4.2
122.97620	5.4
125.02405	3.5
134.97600	7.2
148.02888	2.4
148.99138	6.0
152.98621	6.6
164.00221	2.2
164.98624	10.7
169.12437	2.8
178.88452	7.9
179.89275	4.1
180.90013	4.8
196.89474	82.6
197.89505	5.0
225.00729	25.8
255.23369	5.6
516.91034	2.2
625.14868	2.0
690.94330	2.7
751.39795	100.0
752.40167	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	751.1151
Annotation	Loropetalin D
Peak:m/z	Relative Intensity
59.01378	2.3
61.98827	6.0
65.00334	1.2
67.01862	1.2
69.03452	3.3
69.63391	5.3
71.01385	5.2
72.99305	3.3
74.76869	1.0
79.01881	1.3
81.03426	1.8
83.01409	2.6
85.02945	3.2
87.00879	2.0
93.03477	1.9
95.01393	4.8
96.96020	2.5
97.02944	3.3
98.20557	1.4
101.02441	2.2
107.01387	11.0
109.02962	1.9
111.00874	2.8
113.02438	2.8
121.02956	1.8
122.03748	1.7
123.00900	13.7
124.01662	3.0
125.02456	94.1
126.02812	3.3
133.02942	1.8
135.04524	1.9
136.26202	1.1
137.02437	1.8
138.99432	1.0
139.00421	4.8
139.03937	1.2
140.01146	4.5
141.01918	1.1
147.04472	1.4
149.02449	5.8
150.03207	8.1
151.00391	11.3
151.03911	1.8
153.01973	1.7
161.02464	2.4
163.00304	1.2
163.03987	2.0
164.01164	1.4
164.04854	1.5
165.01904	2.1
165.05582	8.6
165.09352	1.2
166.02826	1.1
166.99826	1.9
168.00679	8.5
169.01437	100.0
170.01782	3.9
173.20384	1.0
175.03973	1.3
177.01956	2.4
179.03490	2.5
183.02985	1.8
185.06078	1.3
187.03883	1.5
191.03510	2.8
193.01416	2.4
195.03003	1.6
195.06635	4.8
205.01474	1.5
206.02197	1.1
211.02492	4.2
216.20490	1.1
221.04572	11.7
227.03484	10.2
229.04936	2.0
255.02974	18.8
256.03479	3.0
257.04459	1.4
284.03250	20.7
285.03995	12.5
286.04419	1.3
288.08670	1.1
295.04584	4.4
301.03455	1.6
313.05661	18.6
314.06226	1.6
329.14316	1.0
379.28760	1.0
421.07840	1.7
447.09308	3.2
465.06717	29.6
466.07144	3.4
477.18756	1.7
519.11932	1.3
542.09253	1.2
599.10468	7.0
600.10638	1.5
687.32361	1.4
688.33209	1.5
689.34283	1.7
751.11511	78.2
751.70715	1.3
752.11993	20.3
752.25342	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	751.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29932	0.4
59.01381	3.4
61.87341	0.4
67.01880	0.5
71.01376	2.8
71.07953	1.0
79.01912	0.6
85.02962	1.1
88.15895	0.4
89.02457	1.8
95.01387	1.3
101.02429	1.6
104.52446	0.4
107.01390	3.9
108.02174	11.6
109.02981	3.7
111.00869	0.7
113.02441	1.0
119.03473	0.6
121.05027	1.3
123.00879	6.9
124.01746	0.9
125.02448	11.6
136.98805	0.6
137.02435	0.7
139.00334	2.2
140.01146	0.9
141.01913	1.0
151.00375	6.3
151.04028	0.7
152.01155	8.9
153.01952	3.6
165.01897	0.6
168.00592	1.6
169.01410	19.4
169.02850	1.0
170.01761	1.3
211.02538	2.9
235.26865	0.5
271.04544	4.7
313.05765	1.9
315.07214	13.5
316.07553	1.3
349.00632	0.6
435.11407	100.0
436.11765	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	751.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54905	0.3
59.01373	0.5
65.00330	0.4
67.01888	0.7
68.99812	0.6
69.03439	0.6
71.01379	2.1
71.52087	0.4
72.99339	0.2
79.01877	0.5
80.59989	0.2
80.82257	0.3
81.03453	0.5
83.01382	0.8
85.02941	1.4
87.00874	0.6
93.03435	0.5
95.01398	1.7
97.02962	1.0
99.00887	0.3
101.02460	1.8
107.01390	4.9
109.02957	0.6
111.00880	2.0
113.02444	1.5
121.02955	0.5
123.00893	6.7
123.04472	0.4
124.01751	1.2
125.02448	31.8
126.02777	1.0
127.00336	0.6
135.04495	0.4
136.98824	1.1
137.02423	0.8
138.03159	0.3
139.00409	3.3
139.04013	0.6
140.01149	2.7
141.01913	0.7
143.03490	0.4
149.02426	0.8
151.00368	5.2
151.04010	0.5
152.00711	0.3
153.01944	1.0
161.02434	0.4
163.03922	0.3
165.01920	0.9
166.02609	0.3
166.99879	1.3
167.03477	1.0
168.00639	4.8
169.01421	43.4
170.01729	2.0
177.01924	0.3
179.03479	0.9
181.01350	0.6
183.02988	1.6
191.03435	0.4
193.01428	4.4
195.03075	0.3
203.03406	0.3
205.01338	0.3
207.02982	0.8
211.02475	7.7
212.02869	0.3
223.02507	1.5
229.04984	0.3
235.02452	0.9
241.03529	0.8
253.03497	1.8
284.03296	0.5
285.03949	1.9
295.04498	2.3
296.05344	0.3
297.06543	0.3
313.05630	14.1
314.05957	0.9
447.05664	0.3
465.06714	100.0
466.07043	11.6
466.13773	0.4
497.26312	0.3
519.39044	0.3
599.10431	1.7
668.48853	0.3
724.07990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
61.52108	0.1
61.98830	100.0
62.98534	0.2
70.92823	0.3
71.01398	0.3
78.95913	0.6
83.05057	0.2
90.22118	0.1
101.02487	0.2
102.51794	0.1
109.06637	0.1
117.07153	0.2
119.03470	0.2
123.00851	0.1
125.09829	0.3
135.08159	0.3
139.41164	0.1
140.01154	0.2
140.43011	0.1
152.99611	0.2
156.43596	0.1
163.11252	0.3
171.10344	0.2
179.10814	0.2
185.11908	0.2
197.11862	0.6
207.10193	0.8
209.11816	2.3
211.13295	0.7
223.09700	0.2
225.11319	0.8
227.13008	0.6
250.49197	0.1
253.09377	0.5
273.82227	0.1
287.16666	0.4
289.18085	0.3
293.21442	0.2
305.17770	0.4
307.19238	0.3
309.20883	0.3
311.22202	0.8
374.63248	0.1
461.20496	0.2
718.40033	0.4
733.38428	0.4
750.42157	1.2
751.40692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52824	0.3
59.01396	0.8
64.61308	0.3
67.01874	1.1
69.03440	0.9
69.65941	0.4
70.82057	0.7
70.82393	0.6
71.01370	3.9
72.99300	0.7
79.01880	0.5
80.58140	0.3
81.03432	0.6
83.01397	0.9
85.02950	1.5
87.00854	0.5
93.03466	0.6
95.01363	1.8
96.31119	0.4
96.96050	0.4
97.02946	1.2
98.47426	0.4
101.02432	1.2
107.01387	8.5
109.02938	0.8
111.00883	1.8
113.02465	1.3
119.04985	0.4
121.03001	0.5
123.00877	8.5
123.04472	0.3
124.01694	1.3
125.02442	50.5
126.02782	1.6
127.00404	0.5
127.51205	0.3
136.98788	1.2
137.02441	1.0
139.00380	3.2
140.01178	2.1
141.01974	0.8
145.03030	0.5
149.02399	0.8
151.00362	6.2
153.01904	0.8
161.02295	0.5
163.04019	0.5
165.01892	1.2
166.99812	1.2
167.03494	1.6
168.00626	3.6
169.01414	66.8
170.01761	2.5
177.01884	0.4
179.03510	1.2
181.01422	0.7
187.03926	0.6
191.03484	0.6
193.01408	3.9
211.02419	4.5
211.04086	0.5
212.02776	0.6
223.02449	2.1
227.03522	1.6
229.05090	1.1
235.02562	0.7
241.03488	1.3
253.03531	1.6
255.02979	2.3
256.03806	0.4
257.04532	0.6
284.03250	3.8
285.04007	11.1
286.04303	1.1
287.07806	0.4
295.04611	1.8
297.06308	2.7
300.03003	0.4
313.05627	26.2
314.05914	1.9
319.14508	0.4
420.23758	0.4
465.06708	100.0
466.07040	11.9
599.10419	15.6
600.10681	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.8
61.98839	5.5
63.96246	1.8
70.65063	2.4
71.01381	7.9
71.22438	0.8
73.02947	2.1
78.95912	1.5
78.98604	7.6
79.95741	15.3
80.96520	80.1
85.02937	2.8
87.00869	3.6
94.98091	16.3
96.95998	1.1
97.02930	1.7
99.00845	0.8
101.02441	1.3
105.05885	0.9
106.98095	2.6
121.94868	0.9
122.97581	4.3
123.38096	0.9
125.02444	3.0
134.97607	4.6
136.99170	1.4
148.99142	5.0
152.98615	8.0
161.90758	0.7
164.98608	12.3
206.99660	2.5
211.13332	1.8
225.00760	16.7
225.95026	0.9
226.10956	0.8
255.23340	4.6
277.21695	1.6
281.25107	1.0
493.17493	2.1
537.27374	1.1
749.41461	100.0
750.41644	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98814	1.2
63.96236	1.6
69.03470	0.6
70.92960	1.4
71.01379	8.5
73.02946	2.1
78.95896	6.7
78.98591	8.4
79.95734	14.0
80.96514	87.1
81.03452	1.7
83.01354	0.7
85.02946	3.0
87.00877	2.6
94.98087	21.3
95.01357	0.9
96.95981	1.5
97.02960	1.5
100.33759	0.7
101.02434	2.2
106.98082	4.1
122.97565	4.5
125.02476	3.7
127.03938	0.7
134.97589	6.6
136.99132	1.4
148.99118	8.7
152.98613	7.0
152.99625	1.7
164.98625	14.0
167.00139	1.0
192.71312	0.6
196.89464	0.8
206.99661	3.0
211.13463	1.4
225.00726	21.0
234.15935	0.7
255.23285	11.9
256.23581	8.0
257.23883	2.4
277.18881	0.7
277.21680	1.5
281.24792	3.6
282.25211	2.0
283.04669	0.8
293.21390	0.9
493.17258	2.2
537.27173	1.3
693.39044	0.8
721.75360	0.8
748.52148	2.2
749.41370	100.0
749.52026	5.1
750.41595	28.2
773.35889	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17294	0.4
59.01392	2.0
60.99326	0.5
61.15555	0.4
61.98830	100.0
64.26962	0.4
70.47224	0.4
71.01395	2.1
75.00874	0.9
78.91850	0.4
78.95925	0.5
79.95758	0.6
81.03493	0.5
83.05031	1.2
85.02951	0.5
87.20563	0.4
88.98808	3.2
89.02454	1.1
97.06609	0.5
98.19859	1.0
101.02453	1.2
113.02458	0.8
125.02482	0.5
125.09756	0.6
131.38873	0.4
156.53111	0.4
161.04597	0.6
163.11327	0.9
165.12846	0.5
169.01498	0.7
183.13910	1.3
193.12347	0.5
207.10292	1.1
209.11832	24.6
210.12151	2.1
211.13393	26.3
212.13770	1.4
224.92175	0.4
227.12933	3.5
228.98830	0.5
235.08267	1.0
253.09413	2.3
255.59247	0.4
291.19672	0.7
445.20920	0.5
447.22281	2.5
508.69238	0.4
535.23260	0.5
689.33459	0.4
713.37292	0.4
749.41840	0.5
750.41010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54551	0.6
53.77533	0.5
59.01385	2.0
59.37593	0.5
60.99298	1.2
61.98833	100.0
71.01390	1.4
72.99312	3.0
75.00879	1.6
77.31279	0.6
78.95915	1.0
83.05034	1.7
88.98820	4.8
89.02453	1.1
94.15240	0.5
96.00071	0.6
97.02940	0.6
98.20660	1.7
101.02464	0.8
126.28828	0.6
161.04565	1.0
163.11307	1.9
165.12834	0.7
169.01442	0.6
183.13943	2.4
209.11833	34.6
210.12180	2.0
211.13399	34.4
211.15460	1.2
212.13768	2.6
225.11411	0.8
227.12895	6.3
229.62685	0.6
235.08238	1.5
253.09357	2.5
265.82040	0.8
445.21219	0.8
447.22522	2.4
639.34277	1.0
738.65710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29688	0.5
57.74397	0.5
59.01374	1.6
64.10487	0.6
65.03973	0.8
67.72456	0.5
69.46442	0.8
69.46848	3.4
71.01391	2.1
73.92237	0.6
74.37489	0.5
85.02950	1.4
91.01891	1.2
93.03461	54.9
94.03806	1.7
96.95438	0.5
96.95997	2.6
96.96981	0.7
109.02950	13.2
113.02441	0.9
115.56465	0.5
121.02995	1.2
123.00893	1.1
123.04501	3.2
124.71107	0.5
125.02479	1.2
135.00890	5.9
137.02446	100.0
138.02776	3.6
139.04027	1.4
149.02438	7.5
151.04005	2.9
153.01968	1.8
160.01636	0.9
163.00369	11.4
165.01874	1.4
169.01546	1.2
195.66913	0.5
197.06091	0.9
215.03683	0.5
224.04726	1.0
225.05539	4.3
241.04758	0.6
259.06097	7.5
269.04547	14.4
269.07269	1.1
287.05612	74.0
288.05914	6.8
299.07727	15.5
299.11157	0.8
300.08194	0.8
322.05624	0.6
431.09903	1.0
449.10931	0.9
503.81772	0.7
570.07092	0.7
728.17938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13766	0.1
56.31703	0.1
59.01365	0.5
59.43839	0.1
61.98831	100.0
62.98513	0.2
71.01386	0.5
75.00880	0.4
78.95912	0.5
85.02987	0.2
88.98824	0.5
89.02468	0.2
112.15871	0.2
125.09692	0.3
152.99629	0.3
163.11255	0.2
169.01489	0.3
171.10333	0.5
197.11545	0.2
207.10289	0.6
209.11896	0.5
211.13368	0.8
212.13751	0.2
212.21475	0.2
225.11308	0.3
226.11809	0.2
255.23354	0.7
256.23676	0.2
281.24936	0.2
413.57520	0.2
747.52637	0.2
748.52826	0.4
762.18207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
61.98829	100.0
69.37770	0.1
75.00874	0.4
78.95920	0.5
84.03455	0.1
109.06487	0.1
125.09748	0.4
152.99594	0.4
166.77806	0.1
171.10289	0.4
187.09731	0.2
207.10356	0.2
209.11909	0.3
211.13416	0.5
212.13766	0.3
221.95464	0.1
223.13403	0.5
224.13657	0.1
229.12929	0.2
255.23242	1.7
256.23657	0.6
270.94479	0.1
281.24918	0.6
282.25235	0.4
354.52621	0.1
357.14960	0.1
747.53101	0.2
748.52112	1.1
749.39026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	27.3
61.98825	4.9
70.22853	2.7
70.23198	5.7
71.01387	18.1
72.95499	2.0
72.99308	2.6
78.95894	10.2
87.00906	2.2
89.02445	31.1
101.02439	17.8
101.63616	1.8
113.02437	7.1
119.03529	12.5
132.21924	1.8
143.03488	2.9
152.99573	8.1
161.04526	3.1
171.00705	2.2
179.05515	9.7
225.22212	5.5
255.23251	38.2
256.23624	23.6
261.22412	2.1
271.22717	5.1
281.24918	13.7
282.25235	12.1
296.25940	3.3
389.29929	2.0
402.24973	1.9
447.93631	1.9
449.27084	1.9
511.55942	2.2
532.47327	17.8
533.47742	3.6
550.48315	7.3
712.53656	100.0
713.54089	31.7
748.51837	53.7
749.51819	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	747.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	25.0
68.82608	3.8
69.54009	20.1
71.01386	13.4
75.80448	3.5
78.95904	34.6
78.98599	7.2
79.95738	24.8
80.96519	100.0
94.98095	22.7
97.02905	4.5
97.06605	7.0
110.98529	10.8
122.97585	9.3
125.02395	7.4
134.97537	8.9
148.99089	9.4
152.98572	5.5
152.99640	8.1
164.98628	15.0
167.01157	10.4
171.10292	21.9
193.12292	9.8
225.00829	20.8
225.14900	13.9
243.15984	8.2
253.21689	11.6
255.23296	99.7
256.23557	10.5
281.24759	8.9
325.54468	4.0
327.21649	4.2
333.83875	4.0
341.23300	60.1
342.23450	7.9
394.86362	4.1
423.25156	8.5
511.27032	22.7
646.74341	4.3
747.37708	81.4
747.49939	43.5
748.38751	29.7
748.50348	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	747.3821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.5
61.98834	65.4
71.01366	7.2
71.50749	1.9
72.99308	2.2
73.02946	2.5
78.79055	1.4
78.95927	3.6
81.03467	2.0
83.01392	1.7
83.05038	3.0
85.02953	1.6
88.00034	1.8
88.98819	5.0
89.02446	4.0
97.02970	4.2
99.00899	1.6
100.32693	1.5
101.02443	6.9
102.38775	1.5
109.06584	20.4
111.08152	2.0
113.02466	3.5
125.02446	2.1
125.09719	3.5
135.08145	3.3
145.05101	1.8
161.04605	1.5
163.11279	11.3
171.10277	22.7
172.10695	1.6
173.88013	1.5
181.12375	3.0
183.13942	9.6
185.11920	1.6
189.12651	1.7
191.10690	1.6
193.12367	2.4
207.08345	3.1
207.10268	49.7
208.10672	3.4
209.11833	6.1
211.13400	100.0
212.13736	5.5
223.13333	2.0
225.11327	25.8
226.11684	2.5
235.08223	4.8
241.14522	7.1
253.09344	11.3
255.23314	7.4
281.24835	3.9
289.17975	1.7
339.23209	2.1
373.23984	2.1
383.22278	3.9
391.24893	2.0
401.23367	8.2
405.69897	1.5
419.24188	3.2
443.19098	4.3
447.22433	5.4
461.20471	6.2
575.80365	1.5
609.32727	4.6
619.31122	4.0
637.32281	31.7
638.32373	7.6
655.33435	36.0
656.33466	8.3
663.55237	1.6
747.39758	2.0
747.52637	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	747.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53494	0.5
61.34243	0.5
63.96225	2.7
69.03460	1.5
71.01379	11.6
73.02947	2.1
78.95908	11.4
78.98583	7.4
79.95737	18.4
79.96203	0.9
80.96516	100.0
81.03471	1.2
83.01371	0.6
85.02937	4.2
87.00888	3.3
94.98087	19.9
96.88547	0.6
96.96033	2.7
97.02952	2.2
97.06567	1.3
101.02405	3.5
106.98100	3.4
109.03188	0.5
110.98533	4.7
111.58840	0.5
121.76193	0.5
122.97568	7.3
125.02437	3.2
127.03990	1.5
134.97600	7.7
136.99115	1.7
148.18584	0.6
148.99152	8.8
150.97063	0.7
152.98558	6.4
152.99782	3.3
154.13849	0.6
164.98630	14.6
167.01106	1.8
171.00591	0.9
171.10289	4.7
193.12265	2.6
206.99615	2.4
209.11841	2.9
211.13412	1.2
225.00754	19.3
225.14923	4.2
226.01056	0.8
243.15999	1.9
253.21764	3.2
254.22006	0.8
255.23282	31.9
256.23489	3.0
281.24872	8.1
282.25089	2.5
321.52881	0.7
341.19394	0.6
341.23337	9.3
343.24591	2.4
405.23642	0.6
423.24915	0.8
447.89102	0.6
491.16476	2.6
491.22345	0.8
509.28915	1.2
510.28912	1.9
511.26624	6.7
537.27612	1.2
561.65704	0.6
619.25055	0.6
747.39459	95.7
747.50098	8.1
748.39789	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
56.88025	0.5
57.03439	1.0
59.01379	100.0
60.01703	0.9
63.59886	0.5
69.61272	3.7
71.01382	11.1
73.02955	4.4
78.32324	0.5
83.01395	1.7
85.02942	6.1
87.31717	0.5
89.02451	1.5
95.01390	1.0
97.93594	0.5
99.00900	2.1
101.02451	9.8
113.02441	5.3
125.02465	1.9
127.74326	0.6
159.03033	0.8
161.04532	5.3
169.01457	2.2
258.03571	0.5
269.10321	10.9
270.10751	0.9
300.99976	0.7
311.11313	6.2
385.14804	0.6
389.21747	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	745.402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29004	1.1
59.01378	17.0
60.00960	1.2
61.25052	1.1
61.98830	8.2
63.24070	1.0
67.59583	1.1
69.03439	1.4
71.01378	4.2
71.50235	1.4
71.94334	1.2
74.31789	1.2
78.95899	3.4
79.43598	1.0
79.59400	1.0
81.91275	1.1
83.05058	1.1
87.00879	1.3
89.02415	1.7
95.04992	1.3
101.02441	3.8
107.14349	1.2
113.02435	1.7
115.59003	1.4
119.35105	1.0
127.04109	1.1
152.99609	3.2
161.04512	2.4
167.10774	3.6
169.01422	1.7
171.10321	2.6
174.17885	1.5
179.14371	2.8
183.13939	6.3
189.33359	1.1
193.12340	2.1
195.13913	9.4
205.12270	8.8
209.11841	1.4
211.13388	100.0
212.13817	6.4
223.13388	86.5
224.13705	5.8
235.08165	3.5
253.09259	8.5
281.24844	6.7
312.61307	1.2
399.25259	2.4
441.21207	1.6
447.22342	10.0
459.22183	12.8
460.22745	1.7
464.50180	1.2
509.28500	7.2
609.32501	1.4
635.34308	3.7
636.34607	1.5
653.35150	5.9
691.35052	1.2
745.41846	1.5
746.48792	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	747.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01695	1.0
61.98818	4.1
69.19467	7.6
74.19988	0.8
78.95889	3.2
80.96528	1.4
86.01583	0.9
98.20687	1.7
105.91258	0.9
108.53708	0.8
133.19081	0.9
152.99594	1.6
240.64049	1.0
255.23314	8.3
281.24860	2.9
454.08823	1.1
455.17279	2.7
469.11588	2.2
473.18073	5.3
496.13815	2.9
511.15665	1.0
512.13361	11.9
513.13733	3.3
525.13898	1.7
526.14941	13.6
527.08514	1.0
527.15350	5.9
541.64600	0.9
569.16821	1.9
600.18542	1.8
601.19360	4.9
613.19501	1.3
614.20148	76.5
615.20435	25.5
632.17914	2.1
646.18988	10.1
647.19196	1.9
673.21997	2.1
687.23071	7.1
688.23053	1.4
688.36823	1.0
747.25189	56.1
747.36450	2.5
747.50287	4.7
748.25555	20.0
748.37231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.4
60.99006	1.1
60.99310	17.8
61.52727	0.6
61.98833	48.3
66.25209	0.5
69.77724	0.5
71.01389	1.6
71.51309	0.6
72.99313	1.9
78.95919	1.2
87.00877	1.2
88.00408	1.2
88.98809	100.0
89.02438	5.5
89.99146	1.5
101.02467	0.8
109.06562	0.8
109.38521	0.6
112.07148	0.6
113.02421	0.7
116.92817	0.6
125.02470	0.8
125.09708	1.4
169.01369	0.8
171.10268	1.5
181.12355	0.6
187.09843	0.7
201.11392	1.6
207.10284	2.0
209.11798	2.7
211.13385	6.1
225.11284	3.0
227.12877	0.6
253.09402	0.9
255.23347	1.8
279.11432	0.5
327.21570	0.9
430.88202	0.6
461.21124	0.7
637.32196	2.1
655.33423	1.6
747.39948	0.7
747.52466	0.9
748.40527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12618	0.2
58.07399	0.2
59.01389	0.9
63.02402	1.1
65.00340	0.5
67.00405	0.2
71.01369	0.6
73.02930	0.2
80.47705	0.2
83.01392	0.8
85.02937	0.3
89.02448	0.3
91.01869	0.3
93.03455	2.0
95.01394	0.3
97.02951	0.3
103.58034	0.2
107.01394	3.4
109.02962	0.9
117.03448	0.4
123.00887	1.6
125.02451	2.5
131.05020	0.4
135.00900	1.0
137.02402	0.3
139.00357	0.3
141.01927	0.2
143.05042	0.9
145.02933	0.4
145.06599	0.2
151.00363	5.8
154.04126	0.3
157.06589	1.1
158.03651	0.3
159.04507	1.2
163.00366	2.1
164.01096	0.4
165.01891	0.5
167.05025	0.3
168.00609	0.2
169.01434	4.3
169.06601	0.6
170.01741	0.3
171.04517	0.5
173.06096	0.5
179.03435	0.3
183.03015	0.3
183.04547	0.5
185.06070	2.4
187.03992	3.2
189.05571	1.0
195.04514	0.5
197.06044	0.5
199.03984	0.6
201.05612	0.5
211.03998	1.5
212.04741	0.4
213.05554	2.5
214.02701	0.4
215.03455	0.4
223.04115	0.3
224.04810	0.2
227.03477	1.9
229.05066	8.7
230.05394	0.8
239.03485	1.4
240.04182	0.8
241.05045	1.3
243.02991	0.3
255.03006	0.8
256.03696	0.6
257.04553	6.3
258.04883	0.6
267.02997	0.8
284.03174	0.5
285.04041	100.0
286.04379	8.5
297.09781	0.5
457.83289	0.2
459.11441	14.1
460.11880	1.4
593.15625	0.3
745.15881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89182	4.4
54.35273	4.5
61.98830	17.7
71.01408	6.7
78.95911	100.0
82.14825	5.8
82.39012	4.9
96.97001	7.4
98.20765	8.6
120.75145	4.9
136.50932	4.8
146.95273	5.2
152.99580	49.7
153.99741	5.7
171.10254	8.8
195.13911	6.3
204.51114	5.1
211.13408	18.8
223.29080	4.4
225.00955	5.4
225.11400	5.6
229.08769	6.5
255.23276	7.8
277.21823	23.7
281.24847	22.6
295.22763	17.1
311.22415	9.5
389.19000	8.6
390.19962	5.6
431.21780	13.1
447.21509	16.1
450.97443	5.3
516.26147	5.5
743.44922	53.0
744.44757	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	743.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50621	1.2
59.01366	4.4
59.63295	1.6
61.98546	2.5
61.98838	42.5
63.28068	1.3
69.49252	4.0
69.49653	6.4
71.01381	6.6
71.05000	2.8
78.95911	37.4
87.00887	1.6
96.96967	2.0
97.02950	2.4
97.06582	1.9
98.19881	1.6
99.00872	9.0
101.02470	3.7
125.09727	6.0
128.31851	1.6
145.05049	1.5
152.99583	19.9
163.11290	5.9
171.10297	5.0
181.12354	9.0
188.43271	1.3
195.13802	3.1
197.11819	1.9
199.13446	8.4
206.41522	1.4
207.10258	19.3
208.10654	1.8
209.11746	1.8
211.13400	5.0
225.11327	32.9
226.11600	2.0
235.08179	3.1
243.12283	4.4
253.09366	2.5
277.21707	3.8
279.23328	2.3
281.24860	75.9
282.25214	7.3
295.22830	10.3
311.22205	4.3
431.21954	6.4
447.21548	5.2
448.22623	1.6
461.20468	1.9
465.22565	2.7
635.80762	1.6
725.44788	4.6
743.45807	100.0
744.45844	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4747
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17020	0.4
59.01370	0.9
61.98829	100.0
71.01387	0.4
78.95909	5.8
88.33414	0.4
99.00916	0.5
109.15272	0.4
112.98638	0.7
125.09739	0.6
152.99599	4.4
171.10300	0.8
185.11861	1.8
192.45227	0.4
197.12044	0.5
199.13449	0.7
207.10339	1.6
211.13509	0.6
225.11371	2.4
229.41037	0.6
235.08223	0.7
253.21729	0.5
277.21750	2.0
278.22043	1.0
279.23483	0.7
280.23651	0.6
281.24844	6.6
293.21231	0.5
295.22867	1.6
311.22617	0.8
322.13947	0.4
369.60068	0.5
431.21820	1.0
447.21710	0.9
465.22610	0.7
479.52280	0.5
505.26398	0.6
506.26147	0.7
702.65009	0.5
710.49176	0.4
734.96057	0.5
742.44019	0.7
743.45575	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	743.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.7
60.99310	18.0
61.98838	4.6
69.52612	0.6
69.53024	1.6
71.01382	0.8
78.95914	0.8
87.00888	0.8
88.00411	2.9
88.98811	100.0
89.02447	13.5
89.99138	1.1
118.77200	0.3
125.02473	0.5
125.09740	0.5
152.99564	0.5
164.14268	0.3
171.10309	0.6
183.87857	0.3
208.95477	0.3
211.13385	0.8
255.23427	0.4
293.21213	0.5
319.58148	0.3
351.43927	0.3
397.13586	0.9
451.62534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02858	0.2
59.01386	0.4
60.99322	0.2
61.98829	100.0
67.83946	0.2
71.01395	0.4
71.49854	0.2
74.30198	0.2
75.00880	0.2
78.95934	0.3
81.27264	0.2
83.05053	0.2
88.00386	0.2
88.98808	1.2
89.02453	0.4
101.02466	0.2
113.02457	0.2
125.05466	0.2
158.90047	0.2
161.04526	0.2
171.10306	1.0
172.10666	0.2
176.20097	0.2
184.93042	0.2
201.11325	1.9
202.11748	0.6
209.11794	4.2
210.12125	1.9
210.13612	0.2
227.12901	0.4
228.13228	0.2
230.13579	0.2
253.09309	0.7
277.21671	2.9
278.22000	2.0
279.22424	0.4
293.21463	0.3
382.63339	0.2
588.81158	0.2
604.87274	0.2
691.05786	0.2
746.17249	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.7
59.69131	0.3
61.98829	100.0
71.49789	0.4
76.55212	0.3
78.95906	5.0
88.48995	0.3
96.96938	0.3
125.09713	0.3
152.99561	2.9
162.10864	0.3
171.10281	0.6
185.11914	0.9
187.09834	0.3
207.10233	0.3
225.11287	0.7
241.01266	0.3
253.09406	0.4
255.23349	0.5
277.21686	1.5
278.22272	1.0
279.23282	0.4
281.24826	3.2
281.92218	0.3
282.25064	0.5
293.21280	0.5
295.22849	1.0
311.22198	0.5
421.02380	0.3
431.22299	0.6
447.21597	1.0
506.26074	0.7
578.47449	0.3
656.61688	0.3
742.44238	0.8
743.45398	2.8
757.09790	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51805	1.5
61.98831	2.3
71.49741	1.6
78.95905	74.1
96.96956	5.0
110.98554	3.8
111.23778	1.7
143.05313	1.6
152.99586	63.4
167.01215	2.0
171.00648	4.6
171.10292	8.5
181.12300	2.0
195.13896	8.9
207.10170	3.7
225.11333	4.0
227.03189	5.5
243.12512	2.2
253.21712	28.9
254.22026	3.4
255.23305	21.7
256.23538	2.4
258.40607	1.8
275.15097	1.7
277.21719	99.4
278.22116	9.8
278.24597	1.7
281.24701	3.3
293.21173	3.3
295.22815	31.6
296.23187	3.1
374.47391	1.8
413.21075	4.3
463.24734	2.7
483.27008	3.7
487.24741	2.4
499.05255	2.1
505.25748	100.0
506.25900	14.0
506.81506	1.9
515.03247	1.9
616.38641	2.0
637.36981	4.5
741.47070	37.6
742.47455	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	741.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27976	0.8
78.95903	46.4
96.96952	2.7
110.98530	3.1
112.20457	1.1
152.99579	47.3
154.00037	1.2
167.01169	1.6
169.12337	1.2
171.00630	3.4
171.10204	1.4
197.11772	2.0
211.13397	3.4
227.03281	5.6
245.04160	1.2
253.21741	30.4
254.21992	2.5
255.23302	6.4
256.23611	1.3
267.19583	2.0
271.98865	1.2
275.20187	3.0
277.21707	92.8
278.22049	9.6
279.23285	17.0
280.23581	4.0
281.24460	1.7
282.25143	1.5
293.21167	6.9
295.22751	2.7
311.21964	2.4
400.62259	1.2
402.94125	1.0
413.20901	3.5
463.24152	1.1
483.27179	4.5
505.25812	100.0
506.26056	14.8
741.46832	33.6
742.47241	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	741.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.6
59.01364	1.9
61.98831	1.0
78.95906	19.3
96.96960	0.5
97.06561	0.5
110.98534	10.9
113.09721	2.7
152.99582	6.9
167.01138	4.0
171.00615	1.3
177.12842	0.9
179.14418	1.4
181.12207	0.7
183.13719	0.5
195.12096	0.9
195.13893	18.5
196.14249	1.2
227.03223	0.6
253.21744	4.7
255.23380	0.8
267.19589	2.1
275.16376	0.8
277.21713	26.2
278.22070	2.3
279.23224	4.0
280.23599	0.9
281.24869	3.5
293.17563	1.8
293.20798	1.0
294.21500	0.9
295.22766	100.0
296.23148	8.3
311.18564	1.5
413.20770	0.6
445.23572	1.5
457.91699	0.5
463.24710	4.9
464.25195	0.8
505.25702	12.9
506.25943	1.9
741.46948	40.3
742.47076	9.3
750.56659	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00611	0.6
58.92760	0.7
59.01377	5.0
59.89695	0.7
61.98832	4.9
67.47901	0.7
69.18229	2.0
69.18649	4.9
69.23288	0.7
71.01385	5.1
73.02929	1.6
78.95906	1.3
80.02674	0.7
81.03466	0.7
83.01376	0.8
83.05019	3.6
84.02160	0.8
85.02951	1.1
87.00880	0.8
89.02430	2.8
95.05013	1.2
98.19942	1.7
101.02424	3.3
113.02441	1.8
113.52426	0.7
117.86176	0.8
119.03478	1.2
119.86681	0.7
125.02341	0.9
125.09714	2.4
127.11290	2.9
137.57741	0.7
155.10709	1.0
161.04533	1.7
163.11256	2.3
165.12794	2.0
171.10240	2.6
172.10526	0.9
179.05592	1.2
181.12308	1.0
191.10822	0.9
199.13348	0.8
201.11314	38.5
202.11626	2.0
207.10210	0.9
209.11815	80.8
210.12198	5.7
211.13432	1.5
225.11243	1.3
226.11568	0.9
227.12874	9.5
235.08221	7.5
253.09274	16.2
254.09537	0.9
277.21710	100.0
278.22079	15.9
279.22348	1.8
299.43774	0.7
379.33105	0.7
437.20273	1.6
443.86734	0.8
445.20490	1.0
505.25818	1.4
524.28564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11206	3.2
59.44052	3.2
61.98829	5.8
62.20811	3.3
78.95924	26.5
89.93981	3.1
96.61204	3.1
97.75809	3.2
98.19859	6.1
138.77895	3.7
152.99590	33.8
171.35942	3.7
248.97787	3.3
253.21759	29.7
277.21710	60.8
278.22031	7.6
413.21164	4.5
505.25787	100.0
506.26019	10.3
741.47131	21.7
742.47412	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	741.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
59.01380	7.1
61.98811	0.7
70.81106	1.5
71.01373	6.6
73.02941	1.1
73.19601	0.7
77.46316	0.8
83.05022	1.4
85.02931	1.1
87.00871	1.4
89.02440	2.4
95.05013	1.3
97.06578	6.1
101.02425	5.0
103.90990	0.8
111.08150	4.4
113.02428	2.2
119.03532	1.1
133.10190	0.8
149.09737	1.0
150.17618	0.8
151.11295	18.0
161.04562	1.6
165.81630	0.7
169.12335	78.9
170.12654	4.3
171.10233	1.3
179.05647	0.8
181.12463	0.9
185.11775	1.2
187.08325	0.7
195.10254	3.5
197.11818	25.8
198.12158	1.7
209.11729	1.0
211.13344	4.8
213.11298	11.5
214.11726	0.8
227.12857	1.6
235.08261	1.9
253.09364	4.8
263.20145	1.3
291.19678	2.5
309.20743	8.6
310.21136	1.3
378.56891	0.8
381.19623	0.7
403.91513	0.9
431.19263	3.2
449.20428	5.3
712.95551	0.9
719.50940	1.0
741.40674	100.0
742.40918	23.7
760.65253	1.0
762.02319	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86601	1.3
58.11050	1.3
59.01371	8.4
61.98828	38.5
71.01376	9.8
71.50093	1.8
78.95903	41.8
83.05019	2.9
83.27572	1.4
87.00883	2.8
89.02469	3.5
96.96960	4.3
97.06616	1.8
101.02429	7.0
111.08121	2.2
113.02428	3.5
119.03481	1.5
125.09718	2.4
136.91988	1.7
145.05074	2.3
145.55301	1.4
152.99574	22.5
161.04529	2.2
163.11278	4.1
165.12773	9.4
171.10246	21.0
181.12315	2.2
183.13889	9.1
197.11829	6.6
201.11372	2.7
207.10178	4.3
209.11829	44.7
209.13800	3.1
210.12151	3.7
211.13319	2.1
225.11284	4.9
227.12878	36.8
228.13142	2.1
230.56256	1.6
235.08188	2.9
245.13918	10.5
253.09296	12.0
253.21748	3.1
255.23073	1.9
277.21704	100.0
278.22098	13.4
279.23224	8.5
281.24701	1.7
293.21231	2.8
295.22638	10.4
309.20715	2.5
354.48395	1.5
429.20480	2.6
431.21707	4.5
435.84433	1.6
445.19907	6.4
447.21732	2.5
449.23071	1.8
463.20859	2.1
476.00900	1.5
481.22812	3.1
505.25900	3.7
741.44019	52.7
742.44269	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	741.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53353	0.6
57.03445	2.4
59.01381	9.3
60.40187	0.6
61.98827	1.4
62.11178	0.6
71.01381	5.1
71.58026	0.6
73.02937	1.9
80.23006	0.6
83.01407	0.7
83.05025	1.3
85.02954	2.0
87.00851	1.1
89.02455	3.5
95.05009	1.7
97.02952	0.9
97.06592	6.0
98.19858	1.5
101.02441	5.1
108.75185	0.7
111.08170	4.4
113.02454	1.9
114.53963	0.6
119.03474	1.3
125.09753	1.0
133.05042	0.7
149.09645	0.8
151.11287	16.4
152.99632	0.6
161.04546	1.0
169.12340	87.6
170.12701	5.0
171.10345	0.8
185.11819	1.0
195.10294	4.1
197.11836	17.5
198.12103	1.1
209.11818	2.6
210.12146	0.8
211.13362	2.5
213.11317	11.5
214.11607	0.9
227.13040	0.8
227.33348	0.6
235.08195	1.5
253.09293	4.5
273.18576	1.0
287.15018	0.7
291.19702	4.8
309.20712	7.7
310.21002	0.9
431.19217	3.9
449.20319	5.6
741.40662	100.0
742.40955	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41250	1.5
57.03442	2.8
59.01384	19.7
61.98832	14.2
65.65199	1.7
67.01884	1.8
69.85498	1.6
70.63644	1.8
71.01393	9.9
71.50194	2.0
72.99302	1.7
73.02948	2.8
78.95914	3.2
83.05022	4.8
85.02933	3.4
87.00849	2.5
89.02432	7.3
95.05034	3.1
97.02951	2.3
97.06603	8.4
97.07133	1.5
98.06927	1.6
99.36040	1.6
101.02427	5.9
109.06555	2.8
111.08182	2.4
113.02453	3.7
121.10266	2.5
123.08173	1.9
125.02475	2.7
125.09740	5.5
137.09723	2.2
149.09753	1.8
151.11292	23.7
156.18697	1.5
161.04541	1.9
163.11256	1.7
167.10815	2.9
168.87900	1.8
169.01408	1.6
169.12346	100.0
170.12691	4.0
171.10265	11.3
183.13799	1.7
185.11827	14.0
195.10239	5.3
197.11858	14.1
197.34016	1.7
198.65350	1.7
199.09755	2.1
201.11333	1.8
207.10254	3.8
209.11836	14.5
210.12189	4.3
211.13428	34.6
212.13742	4.4
213.11319	17.6
223.13403	2.0
225.11324	3.0
227.12897	4.0
235.08255	3.1
253.09280	10.8
254.09543	1.6
277.21619	2.1
291.19678	24.8
292.19974	4.9
293.21265	6.1
294.21542	3.8
309.20728	11.8
310.20877	2.6
425.27151	1.6
431.19168	4.1
433.97659	2.1
449.20349	9.3
603.30487	5.3
632.82428	1.8
643.33301	26.1
644.34131	5.7
723.39655	44.4
724.39868	11.9
741.40845	61.8
742.40649	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	741.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34418	0.9
57.03445	2.3
59.01382	15.5
61.98831	8.0
69.03474	1.8
71.01379	8.0
72.66263	0.9
73.02942	1.8
78.95898	2.0
81.03481	1.3
83.01389	1.4
83.05029	2.9
85.02937	2.0
87.00887	1.3
89.02457	4.9
95.05044	1.6
97.02937	2.2
97.06609	5.1
99.00913	1.0
101.02435	7.1
109.06602	1.2
111.08148	3.5
113.02433	4.1
119.03461	1.4
125.09728	1.1
143.03493	1.6
149.09703	1.2
151.11281	20.3
152.11842	1.0
153.09134	0.9
161.04596	2.1
165.12805	1.1
167.10742	1.1
169.12343	91.6
170.12645	3.5
171.10263	3.7
181.12483	1.3
185.11841	2.7
195.10252	2.5
195.13866	2.5
197.11826	25.7
198.12099	2.4
199.13440	2.0
209.11902	6.4
210.12190	2.3
211.13486	6.2
213.11324	17.3
214.11623	1.5
221.11803	5.3
223.13367	10.7
224.13545	1.7
227.12877	3.2
228.13228	1.5
235.08167	4.9
239.12856	4.4
253.09212	9.3
277.18005	1.1
279.12820	1.1
284.03082	1.8
287.15173	1.1
291.19678	7.5
293.21164	3.2
294.21527	2.5
295.21826	1.2
309.20712	15.1
310.21036	1.4
404.20959	1.1
431.19266	4.5
449.20200	7.9
723.39441	1.3
741.40710	100.0
742.41095	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25903	1.8
61.98832	2.8
69.50507	1.7
71.27955	2.8
92.90965	1.8
101.02389	2.0
113.02425	2.3
118.39455	1.6
165.07440	2.5
167.89853	2.1
209.11824	100.0
210.12129	5.8
227.12872	29.4
233.08000	1.7
235.08209	4.8
253.09277	6.0
296.08386	1.6
445.20499	9.3
637.32056	2.5
741.34637	18.4
742.35089	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	741.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	24.8
61.98831	100.0
71.01393	20.5
72.99319	5.3
78.95911	5.2
80.96526	4.9
85.02979	4.6
87.00887	4.4
88.71091	4.1
88.98818	5.1
96.96013	5.8
98.19846	8.2
101.02428	9.3
109.06596	5.7
113.02455	7.9
125.02451	7.3
135.99495	3.8
154.33298	3.7
160.49861	3.8
169.01376	8.6
171.10291	13.1
185.11966	7.6
197.11777	7.9
199.09753	10.1
199.13373	8.3
201.11311	10.8
207.10254	19.9
209.11810	91.5
210.12082	6.1
211.13345	8.4
225.11261	29.8
227.12897	29.9
235.08257	6.6
239.64110	4.1
253.09258	15.9
313.34509	4.7
402.67096	4.0
402.92966	3.9
445.20938	5.2
519.32654	8.2
635.31641	5.6
637.31476	6.3
655.33484	5.9
741.33636	36.2
742.33411	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	740.459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92715	0.4
52.94179	0.3
56.57604	0.3
59.01379	0.9
61.98830	100.0
68.72423	0.4
71.78802	0.3
78.95901	6.0
80.12985	0.4
81.88607	0.3
93.11246	0.4
96.97004	0.6
108.91541	0.4
110.04396	0.4
119.71578	0.4
152.99594	6.2
171.10297	1.0
178.71169	0.4
197.11725	0.4
207.10393	0.5
209.11833	0.7
225.11505	0.7
253.21680	0.7
277.21689	0.6
293.21295	1.6
311.22330	1.0
429.20544	0.6
445.19882	0.7
447.21402	1.1
454.16217	0.4
740.41211	1.2
741.44336	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	740.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
61.98830	100.0
62.98522	0.1
69.31310	1.0
72.30070	0.1
81.03478	0.1
83.05047	0.4
91.46577	0.1
125.02495	0.4
130.19765	0.1
169.01443	0.6
226.16411	0.2
437.11163	0.2
593.12415	0.1
678.50702	0.4
679.49988	1.1
680.50580	2.6
681.51361	0.2
740.49286	1.2
741.50171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
60.45072	0.2
61.98829	100.0
64.85678	0.3
69.70817	1.8
73.63403	0.3
78.95904	5.5
95.28532	0.3
95.44282	0.3
96.96979	0.3
98.19892	0.4
152.99600	3.3
171.10205	0.3
185.11909	0.4
195.13899	0.3
197.11829	1.2
201.11440	0.3
207.10362	0.5
211.13385	0.3
212.89433	0.3
225.11340	1.2
253.21613	0.5
253.60898	0.3
255.23312	1.1
277.21768	1.7
279.23123	0.5
281.25043	0.4
293.21295	0.8
295.22836	1.3
385.86890	0.3
419.30920	0.4
429.20499	0.6
430.20612	0.4
445.20572	0.4
447.21411	0.5
463.21356	0.3
505.25861	1.0
584.56262	0.3
682.23566	0.3
688.42004	0.4
740.42419	0.8
741.43591	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	740.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89160	0.2
58.00621	0.2
59.01376	1.8
61.98832	100.0
63.05206	0.2
68.01773	0.2
71.01382	1.0
78.95923	0.2
83.05025	0.3
85.02960	0.3
87.00866	0.3
89.02456	0.6
94.12887	0.2
98.20686	0.5
101.02434	1.2
111.08167	0.5
113.02455	0.5
116.92898	0.2
161.04593	0.5
163.11328	0.4
165.12897	0.3
165.55577	0.2
169.12357	0.6
170.12628	0.2
181.12372	0.3
183.13870	1.1
184.14240	0.5
185.11885	0.2
195.13911	0.6
197.11835	4.5
198.12163	1.8
199.13464	0.8
200.13730	0.3
209.11830	5.4
210.12239	0.5
211.13393	17.9
212.13731	8.0
213.13968	0.3
227.12964	1.7
228.13293	0.4
229.67856	0.2
230.82115	0.2
235.08205	1.1
236.08559	0.4
239.13039	0.2
253.09270	2.8
254.09698	1.0
277.21768	0.7
280.23816	0.3
291.19733	1.7
292.19952	1.3
293.21274	1.4
294.21506	1.2
295.22781	3.8
295.25931	0.3
309.20703	4.8
310.21045	4.2
311.21527	0.3
447.22659	0.6
448.22577	0.6
572.65839	0.2
702.58752	0.3
740.42084	0.3
741.41217	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81827	1.0
59.01376	2.7
61.85712	1.1
69.56379	1.1
71.01369	2.4
71.49996	1.4
78.95905	33.9
79.95751	2.2
80.96529	6.0
82.96093	1.9
94.98087	2.3
110.97839	1.9
110.98539	21.9
111.08144	5.7
112.20332	1.0
122.63042	1.1
122.97562	3.9
139.11435	1.2
152.99565	2.4
165.12895	1.2
167.01144	8.9
169.12360	3.7
171.10287	2.7
181.12335	2.3
185.02240	1.4
193.12370	1.4
196.54628	1.1
197.11836	28.7
198.12158	2.7
199.13467	1.6
209.11792	1.2
211.13330	9.3
251.16542	1.4
255.23283	1.6
260.82901	1.3
277.21732	64.8
278.22177	8.7
279.23303	100.0
280.23636	12.5
281.24768	1.5
291.19650	10.6
293.21255	5.6
295.22894	1.4
309.20728	26.9
310.21091	4.1
311.22311	26.6
312.22626	3.1
396.21881	1.1
429.24081	1.6
445.23630	1.8
447.25311	3.3
461.23279	1.3
479.24503	2.3
532.52472	1.2
739.45398	49.1
740.45392	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	739.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.9
56.75959	1.0
57.03445	1.2
59.01384	12.3
61.98820	1.6
65.16889	1.0
70.24772	3.3
71.01379	13.4
71.05009	1.5
74.99051	0.9
77.34803	1.0
81.18174	0.9
83.04993	1.3
84.85396	1.1
85.02943	1.9
87.00870	2.0
89.02435	2.8
92.96056	1.0
97.02935	4.4
97.06601	1.0
99.00887	11.9
101.02429	5.2
109.06580	2.1
110.03703	1.5
111.08035	0.9
113.02444	2.9
125.09755	5.1
127.11230	1.3
161.04550	2.4
163.11317	7.0
171.10274	19.5
181.12354	13.4
182.12637	1.1
183.13785	1.3
185.11749	1.9
195.13985	1.6
197.11842	2.3
199.13400	27.8
200.13702	2.2
201.11319	3.5
207.10274	30.7
208.10555	2.3
209.11794	4.0
211.13412	9.9
225.11325	64.2
226.11659	3.7
227.12856	9.7
235.08180	4.3
243.12352	14.7
244.12509	1.2
253.09251	8.5
277.21725	58.5
278.22055	6.8
291.19604	3.9
293.21191	7.0
443.19266	1.8
461.20364	11.9
463.21677	1.2
479.21252	3.2
562.35187	1.2
579.84802	1.1
591.32611	1.1
676.19208	1.0
721.41443	6.1
722.41815	1.9
739.42719	100.0
740.43134	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	739.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.5
59.01378	4.0
61.98833	1.7
71.01381	3.4
71.05015	0.3
73.02942	0.4
80.02672	1.0
81.03452	0.8
82.50791	0.3
83.01406	0.4
83.05031	3.7
84.02177	0.7
85.02951	1.0
87.00887	0.6
89.02452	2.4
90.72616	0.3
95.05033	0.9
97.06577	0.4
101.02433	2.8
111.08192	0.5
113.02450	2.4
119.03510	0.8
121.10246	0.4
125.06102	0.7
135.08125	0.4
143.03493	0.4
161.04529	1.2
163.11296	3.1
165.12840	2.2
167.10844	0.4
171.10233	1.5
179.05582	0.5
179.14343	0.7
181.12303	1.2
183.13918	0.6
191.10760	0.8
195.13911	6.3
196.14502	0.9
197.11775	0.6
199.13527	0.4
205.12396	0.6
205.16042	0.4
209.11829	100.0
210.12149	6.3
211.13428	5.2
223.13383	4.4
227.12880	10.6
227.15115	0.6
228.13332	1.0
235.08170	1.8
235.17101	0.4
241.45947	0.3
253.09288	15.4
254.09602	1.0
256.13153	0.8
265.21820	0.5
269.11871	0.4
275.20148	7.2
276.20544	0.9
291.19720	1.1
293.21228	79.1
294.21533	8.7
294.24716	0.6
309.20718	1.4
312.88635	0.3
445.20752	1.1
492.22232	0.4
529.30042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03433	1.1
59.01388	7.7
60.26688	0.7
66.52160	0.7
68.31861	0.7
69.03473	1.0
70.07849	0.7
71.01381	5.9
71.05018	1.7
73.02954	2.2
78.95911	0.9
81.47234	0.6
82.93475	1.0
83.01374	1.0
85.02969	1.8
89.02434	2.7
95.01366	0.8
97.02934	2.3
97.06567	2.2
99.00887	10.0
100.01178	0.7
101.02461	3.8
109.06575	1.9
110.20189	0.7
113.02435	1.7
113.53384	0.7
113.57987	0.7
119.03479	0.9
123.08161	2.2
125.09722	7.0
125.61329	0.8
127.11314	1.4
142.02704	1.8
153.12730	0.8
161.04558	1.9
163.11301	6.1
167.77507	0.7
171.10277	8.8
175.35912	0.7
181.12334	10.5
182.26065	0.9
197.11798	0.8
199.13422	10.2
201.11368	3.1
207.10275	22.1
208.10588	1.6
209.11804	1.1
211.13425	1.9
225.11340	42.7
226.11647	2.2
227.12967	1.9
235.08188	3.6
243.12398	6.0
243.84505	0.8
253.09320	4.3
277.21735	71.2
278.22079	7.1
291.19617	1.3
293.21158	3.4
306.70630	0.8
342.95813	1.0
383.85995	0.7
394.21536	0.7
461.20135	5.3
468.51862	0.8
479.21368	2.0
721.41901	4.8
722.41321	1.1
739.42737	100.0
740.43091	25.4
740.55725	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.9
59.01379	14.0
61.98831	23.2
70.47093	1.3
71.01385	11.0
71.05026	2.7
72.99323	1.4
73.02936	2.2
78.95901	4.4
80.02682	1.0
80.96526	3.9
81.03450	2.7
82.95461	1.6
83.05024	7.7
85.02951	4.0
87.00877	1.9
89.02431	5.8
92.79833	1.0
95.05004	4.1
96.96002	2.3
97.02930	1.4
97.06592	7.2
97.38187	1.3
101.02434	7.9
109.06573	6.2
111.04502	3.2
111.08156	4.4
113.02459	4.2
119.03478	1.9
125.09765	2.1
127.07680	1.8
130.47079	1.1
139.26248	1.2
143.99959	1.1
149.09665	1.3
151.11281	16.1
161.04532	3.5
163.11301	3.8
165.12801	1.6
167.10751	1.7
169.12346	59.5
170.12677	4.8
171.10277	2.8
179.05447	1.2
181.12405	1.7
183.13853	2.3
185.11911	2.2
193.08600	1.3
193.12346	1.6
195.10265	2.6
195.13890	3.6
197.11832	12.0
198.12166	6.4
209.11827	100.0
210.12161	33.2
211.13658	19.6
212.13683	1.4
213.11382	7.8
227.12958	7.8
235.08099	6.0
245.19093	2.0
253.09326	15.3
254.09534	3.6
255.09796	1.5
289.18103	32.2
290.18387	4.4
291.19693	10.7
292.20001	6.8
293.21237	26.5
294.21564	2.0
299.84854	1.2
307.19156	3.2
309.20663	20.4
310.21161	12.1
311.21295	7.8
331.22641	1.4
400.50159	1.2
431.19254	3.1
449.20306	5.2
503.33548	1.9
721.37817	4.8
739.39233	77.5
740.39484	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68677	0.4
57.20576	0.4
59.01371	0.8
60.99294	0.7
67.01892	2.6
69.03452	0.6
69.27131	1.6
69.27554	1.2
71.01381	1.4
83.05006	0.7
85.02949	3.5
87.00875	4.8
93.03456	18.9
94.03796	1.0
99.00871	0.4
99.04545	0.5
109.02948	0.8
111.04512	2.3
115.68501	0.3
119.05021	4.6
125.02426	0.9
127.03967	1.0
129.01956	1.0
137.02538	0.4
145.02953	1.5
155.03514	0.4
163.02740	0.6
163.04008	5.7
169.01352	0.8
171.03011	0.3
171.99568	0.4
173.04520	5.4
191.05605	100.0
192.05988	3.3
320.34302	0.4
337.09280	29.5
338.09515	2.5
401.10733	0.5
451.08679	1.3
733.23663	0.4
734.33667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51079	0.2
57.01234	0.2
57.03445	0.4
59.01370	0.6
60.99304	0.8
67.01891	2.3
69.03436	0.6
69.42879	0.5
69.43285	1.2
71.01371	1.2
76.38125	0.2
81.03412	0.5
83.05022	0.5
85.02946	4.9
87.00875	4.3
88.91329	0.2
93.03458	17.8
94.03796	0.4
99.00917	0.4
99.04543	0.3
101.02467	0.3
109.02953	0.8
110.31073	0.2
111.04514	2.7
119.05032	4.4
120.38421	0.2
123.00915	0.3
125.02443	1.2
127.04010	0.9
129.01932	0.7
137.02423	1.6
145.02950	1.5
151.00447	0.3
155.03522	0.5
163.04007	5.9
169.01445	1.6
172.09787	0.3
173.04544	6.6
191.05609	100.0
192.05965	3.7
225.59283	0.2
313.05661	1.1
337.09283	33.6
338.09598	3.7
436.85693	0.2
451.08856	3.0
452.09021	0.4
518.80182	0.3
587.13641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	8.8
58.65996	2.5
59.01361	3.6
61.99671	3.3
69.03463	2.8
71.50603	3.5
81.03467	3.4
83.01380	5.0
85.02940	4.5
93.03474	12.1
97.02936	4.9
107.05004	4.8
108.02142	2.8
109.02965	27.2
117.03489	2.5
117.53952	2.5
121.02925	4.4
123.04517	25.8
125.02453	64.3
129.01938	4.2
133.02945	3.5
135.04503	6.1
137.02438	37.6
139.03923	3.2
145.02936	5.9
147.04442	3.1
149.02441	11.3
150.03156	3.9
151.04002	19.8
151.63029	2.4
157.02939	2.6
159.04506	9.9
160.01633	2.7
161.02480	22.0
161.06070	5.7
162.05560	5.4
163.03989	5.0
164.01155	7.3
165.01849	6.9
169.01407	7.4
171.04494	2.9
171.81161	2.6
175.03964	21.1
177.01886	10.1
179.03450	6.1
183.04536	6.0
185.02454	5.8
187.03955	11.0
189.02058	3.3
191.05566	5.2
197.05966	4.1
199.04034	5.1
201.05533	8.8
203.03525	5.1
203.07184	12.9
205.01338	2.4
205.04990	9.5
206.04510	3.1
211.03995	4.5
212.04843	2.3
213.05568	4.7
215.03442	3.3
216.91190	2.4
217.04797	2.3
223.04514	3.0
225.05569	15.0
227.03433	6.8
228.04074	2.8
229.04980	10.1
231.03027	4.8
241.05103	6.1
243.02905	11.2
243.06604	3.5
245.04568	22.9
245.08167	14.0
253.04974	3.9
255.03014	19.9
256.03683	11.6
257.04440	6.8
269.04556	88.2
270.04761	11.5
271.06088	5.2
273.04037	9.5
281.04544	11.8
283.02356	6.7
285.04007	4.6
287.05579	3.2
288.02832	3.3
289.07184	78.9
290.07495	7.9
297.04077	4.2
297.07278	2.7
323.07730	3.1
339.08557	6.4
363.09015	3.1
381.10046	4.2
407.07700	100.0
408.08032	15.4
419.07217	3.8
425.08774	35.3
426.09131	5.2
433.09143	16.9
437.08783	4.0
439.08902	4.0
449.10538	8.7
451.10931	4.1
541.11255	4.7
559.12354	7.0
587.13824	14.4
636.00189	2.7
739.19196	25.8
740.18835	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	739.209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80005	0.6
65.00339	0.7
67.00098	0.7
67.37392	0.7
70.59868	0.7
79.92483	0.6
83.01395	0.7
87.07732	1.0
91.88825	0.8
97.94228	0.6
98.20693	1.6
106.17718	0.6
107.01413	2.4
113.87443	0.7
117.56270	0.7
121.89101	0.7
128.30345	0.7
131.05109	0.8
132.02174	1.7
134.65425	0.8
150.65572	0.8
151.00362	4.4
152.01045	0.9
152.21252	0.7
163.00380	1.2
178.99834	2.3
183.04488	1.4
197.51474	0.7
211.04056	2.0
227.03493	43.3
228.03905	3.4
229.05055	2.0
254.13454	0.8
255.02985	76.4
256.03467	9.2
257.04434	2.2
257.64267	0.7
283.02460	2.3
284.03259	100.0
285.03876	19.4
398.45172	0.8
508.12988	0.8
575.14557	1.5
739.20929	60.7
740.21246	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43769	0.2
61.98830	100.0
69.79665	0.3
69.80070	0.7
71.01389	0.5
76.96977	0.2
78.95916	0.3
79.95741	0.7
80.96528	1.1
82.96098	0.2
85.02979	0.2
91.41630	0.2
94.98062	0.3
96.96012	2.2
96.96973	0.2
134.41795	0.2
171.10295	0.3
197.11887	0.2
199.09813	0.2
207.10133	0.2
209.11917	0.6
210.12099	0.2
223.13469	0.5
225.00876	0.3
339.70709	0.2
720.30353	0.2
738.30322	0.9
739.31494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
61.98831	100.0
62.98534	0.3
63.99253	1.0
69.60225	0.2
70.61421	0.3
71.01382	1.2
78.95917	0.4
79.95737	0.2
80.96530	1.0
83.05019	0.2
87.00878	0.2
89.02441	0.3
95.01395	0.2
97.02949	0.2
100.39865	0.2
125.02461	0.4
169.01451	0.3
171.10326	0.4
181.12303	0.2
197.11888	0.2
199.13611	0.2
207.10336	0.4
208.10654	0.2
209.11829	1.2
211.13451	0.5
225.11389	0.7
227.12889	0.2
253.09384	0.3
257.56195	0.2
300.99966	0.2
376.12155	0.2
444.53851	0.2
466.95346	0.2
518.54083	0.2
635.30817	0.2
648.45673	0.2
653.33264	0.2
671.33551	0.4
738.31787	0.6
739.31989	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	738.444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26878	0.4
59.01379	9.5
61.98830	100.0
71.01379	1.2
71.49770	0.6
76.42393	0.5
78.95905	7.7
92.15414	0.4
96.96960	0.6
99.28344	0.4
109.06583	0.7
152.99599	5.7
171.10268	1.8
197.11884	0.6
199.13223	0.6
207.10371	1.2
209.11884	1.9
211.13383	0.9
225.11452	1.8
255.23384	1.3
277.21613	2.9
279.23349	2.9
293.21304	1.3
295.22659	0.7
311.17191	0.5
311.22379	2.3
429.20242	0.9
445.19836	0.7
447.21796	0.6
453.15799	0.7
726.45044	0.6
739.41168	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	738.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.2
59.01375	0.5
61.98830	100.0
63.99270	0.4
68.70110	0.2
71.01383	1.3
73.02944	0.2
78.95898	0.3
79.95742	1.1
80.96507	2.0
83.15169	0.2
85.02971	0.2
87.00870	0.3
94.98071	0.5
96.96022	1.8
96.97028	0.3
97.06592	0.3
108.61003	0.2
113.02439	0.4
125.02504	0.3
125.09740	0.7
130.12654	0.2
132.10083	0.2
134.97519	0.2
148.99097	0.3
164.98657	0.3
165.13007	0.2
171.10255	0.4
197.11884	0.2
207.10181	0.4
209.11900	0.8
211.13510	0.4
223.13428	0.2
225.00787	0.5
225.11409	0.5
244.17091	0.3
253.09250	0.2
270.18692	0.2
277.63071	0.2
371.07648	0.2
458.28860	0.3
499.83710	0.2
521.48523	0.2
579.21747	0.3
608.29163	0.2
681.62592	0.2
692.30658	0.4
694.35303	0.7
720.30225	0.4
738.39075	0.9
739.37579	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89136	0.7
59.01379	3.9
61.98833	9.7
67.01886	1.0
71.01379	2.5
71.09269	1.0
78.96793	0.8
85.02950	1.6
92.04776	0.8
93.03458	0.7
95.01395	2.6
96.95976	1.4
97.02958	1.0
97.55834	0.8
101.02465	1.3
104.59436	0.8
107.01392	4.3
111.00896	2.4
123.00896	14.0
125.02454	22.0
126.02742	0.9
127.00365	1.8
136.98814	0.9
139.00378	4.3
140.01143	3.2
141.01915	1.2
151.00374	8.5
153.01932	1.1
167.03401	0.9
168.00681	1.6
169.01418	26.2
175.03833	0.8
177.01994	0.9
183.03033	1.7
198.52356	0.9
209.12032	1.0
232.97359	1.0
255.03291	0.8
285.04343	1.1
291.49020	0.9
313.05533	1.1
430.06836	2.5
594.32758	0.9
675.35907	100.0
676.36243	19.2
734.39734	0.9
738.31866	0.9
739.18457	2.9
739.32233	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	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06843	0.1
59.01380	0.2
61.98830	100.0
62.98530	0.2
63.99274	0.3
69.29470	1.1
71.01385	0.2
78.95916	0.3
78.98604	0.1
80.96519	0.6
94.98111	0.1
96.96049	0.2
98.19977	0.3
125.02435	0.2
137.56659	0.1
171.10324	0.3
207.10300	0.3
209.11786	0.6
211.13423	0.2
223.13553	0.1
225.11354	0.3
227.12990	0.1
237.94391	0.1
635.30560	0.2
671.32983	0.2
721.31738	0.2
738.31561	0.3
739.33307	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.2
61.98830	100.0
62.65757	0.1
62.98534	0.1
78.42072	0.1
95.88080	0.1
97.70097	0.1
101.02446	0.1
109.06594	0.1
113.02469	0.1
130.82236	0.1
209.11882	0.3
211.13431	0.3
225.11536	0.1
227.12918	0.1
278.22165	0.1
293.21588	0.1
397.13321	0.2
399.14020	0.2
506.17883	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	738.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68718	0.2
59.01374	0.7
61.57535	0.1
61.98829	100.0
62.98516	0.2
71.01389	0.5
75.75881	0.1
75.91223	0.2
80.02705	0.2
83.05019	0.5
83.96621	0.2
89.02448	0.4
97.03019	0.2
101.02441	0.4
163.11336	0.3
165.12840	0.2
169.12395	0.2
195.13954	0.5
207.10249	0.2
209.11813	11.1
211.13399	1.4
223.13422	0.3
225.11324	0.3
227.12862	1.2
235.08246	0.4
253.09271	1.5
275.20285	0.6
277.21719	0.3
284.69427	0.2
293.21231	7.4
309.20731	0.3
398.13806	0.2
399.14307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	3.4
61.98827	10.1
67.01864	1.1
71.01387	2.7
78.53400	1.1
80.96514	2.0
83.01379	1.6
85.02942	2.6
87.00876	10.8
95.01383	3.0
96.96013	1.7
101.02451	1.9
107.01394	6.3
111.00897	2.5
123.00887	13.2
124.01684	1.6
125.02454	37.6
127.00438	1.2
135.38605	1.3
136.98842	1.4
137.02422	1.6
139.00385	3.9
140.01135	3.7
141.01923	1.3
151.00378	6.6
168.00682	7.4
169.01427	41.1
170.01811	1.7
183.02866	1.5
197.27481	1.2
202.76547	1.2
209.11888	2.6
211.02469	2.6
229.81522	1.5
258.64651	1.2
261.79059	1.1
277.28412	1.2
313.05496	1.9
341.23203	3.1
365.58994	1.2
505.20807	7.9
506.20645	2.0
523.21814	13.7
524.22498	1.5
525.15021	1.4
587.13483	2.1
674.34753	4.7
675.23053	100.0
675.35156	11.8
676.23431	21.7
678.48431	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80798	0.3
59.01379	14.0
61.16195	0.2
81.03455	4.8
83.05024	13.5
83.31456	0.2
84.05337	0.5
89.65730	0.2
90.50042	0.2
98.20766	0.5
100.07701	0.4
107.06108	0.4
108.04572	0.4
125.02387	0.3
125.07167	0.9
126.05538	0.5
138.87103	0.3
143.08224	0.5
171.84180	0.2
181.94980	0.2
207.15034	0.6
224.17682	2.4
225.16069	12.7
226.16434	0.4
228.99416	0.3
239.24689	0.3
242.18620	0.7
250.15598	0.3
309.21872	0.6
324.26392	0.3
327.00793	0.2
333.22836	0.7
341.29141	0.9
367.27072	1.1
433.31836	1.3
450.34500	1.1
451.32901	6.8
452.33304	0.9
550.43713	1.2
565.44171	0.3
593.43945	0.5
659.48444	1.7
660.48132	0.3
677.49664	100.0
678.50000	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	737.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
58.00602	0.6
59.01380	14.2
61.98830	5.2
69.03465	1.2
69.16895	4.2
69.17316	2.7
71.01384	8.0
73.02962	1.4
75.00896	1.1
78.95907	1.0
80.02674	1.3
81.03462	2.1
83.01420	1.1
83.05008	3.4
84.02205	0.9
85.02961	2.7
87.00872	1.7
89.02442	5.2
95.05048	1.9
97.02950	6.0
97.06602	1.1
98.20613	1.2
99.00874	1.6
101.02441	9.2
109.06590	24.8
110.03707	1.7
110.06929	1.1
111.08186	2.3
113.02438	4.2
119.03478	1.4
121.06596	2.1
123.04567	3.4
123.16804	0.6
125.09715	1.0
135.08157	4.2
136.05330	1.4
142.02725	2.3
143.03600	0.9
161.04567	2.5
161.09708	1.7
163.11264	13.3
164.11603	1.2
165.12825	0.9
169.12169	0.8
171.10226	1.0
179.05551	0.9
179.10780	1.3
179.14378	1.0
181.12306	4.6
183.13884	2.1
185.11798	0.8
188.98882	0.8
189.09227	2.6
195.13882	10.6
197.11722	0.8
199.13399	1.3
205.12238	0.9
207.10255	78.7
208.10616	5.8
209.11832	16.5
210.12167	1.3
211.13383	21.9
212.13689	1.7
223.13403	6.5
225.11322	27.5
226.11717	2.3
227.12915	4.4
235.08224	5.0
243.12202	0.9
253.09286	24.3
254.09711	0.9
263.20090	1.4
275.20175	7.1
276.20435	1.2
289.18100	4.5
291.19666	11.7
292.19879	1.9
293.21225	100.0
294.21576	11.3
299.14911	1.0
307.19144	7.3
308.19305	0.8
443.19574	3.4
445.20703	1.0
461.20340	8.3
462.20258	1.3
483.31168	2.4
492.21906	0.7
525.26367	0.8
527.28259	0.9
529.30225	1.1
530.30591	0.8
542.33807	0.7
543.27856	0.9
556.76599	0.7
650.31396	0.7
668.34833	1.1
719.40057	1.9
737.41138	34.8
738.41595	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	737.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56777	0.4
55.01888	0.8
57.03450	0.9
59.01380	6.5
61.98828	5.3
69.03453	4.5
71.01378	5.9
71.05007	2.1
73.02971	1.0
78.95906	0.8
81.03453	0.5
81.27525	0.4
83.01402	0.5
83.05029	0.7
85.02970	1.8
87.00874	1.4
89.02437	2.3
95.01361	0.5
97.02976	0.9
97.06589	0.7
101.02448	4.0
109.06612	0.6
113.02449	2.5
119.03503	0.7
123.08171	1.2
125.09724	1.5
151.11259	2.2
152.99600	0.5
153.12851	1.3
161.04517	1.0
161.09724	4.4
169.12297	2.4
177.09187	0.4
179.10777	8.4
182.59430	0.5
185.11836	0.5
188.87883	0.5
197.11830	46.0
198.12186	3.6
202.70320	0.5
207.10254	1.5
223.09814	2.4
225.11386	1.0
227.12830	0.8
229.09991	0.5
235.08246	1.2
241.10802	1.9
253.09311	3.6
264.01791	0.5
277.21713	60.9
278.22064	5.0
279.23279	0.7
291.19827	0.8
293.21301	1.3
459.18765	1.3
463.45953	0.5
477.19693	2.0
581.83868	0.5
737.41119	100.0
738.41486	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03456	1.7
59.01384	14.6
61.98836	12.5
66.07907	0.7
69.03484	0.7
70.08910	1.1
70.09293	1.5
71.01390	9.4
71.05024	0.7
72.99320	0.8
73.02954	1.5
78.95878	0.5
80.02687	1.7
80.27026	0.5
81.03461	2.3
82.47343	0.7
83.01411	1.4
83.05034	7.0
84.02173	1.2
85.02961	1.9
85.27774	0.5
87.00890	1.6
88.57635	0.6
89.02444	4.9
93.03450	0.9
95.01435	0.8
95.05042	1.8
97.02955	3.3
99.00886	0.9
101.02452	6.7
109.06606	16.1
110.03750	1.4
110.06939	0.7
111.08168	7.8
113.02456	3.8
117.46920	0.6
119.03500	0.6
121.06622	1.1
123.04552	0.7
125.02505	0.7
125.06039	0.8
125.09705	0.7
129.01898	0.6
135.08202	2.3
136.05281	0.9
137.09718	1.1
142.02676	1.2
149.09747	0.9
161.04578	2.4
161.09659	0.9
163.11307	11.6
165.12839	2.3
167.10770	1.8
169.12250	0.6
171.10268	2.9
177.12866	2.3
179.05609	1.3
179.10779	1.8
181.12360	3.4
189.09203	1.9
190.09683	0.6
191.10814	0.9
195.13922	8.4
196.14276	1.0
197.11853	0.9
205.12560	0.7
207.10277	44.1
208.10576	3.0
209.11844	98.3
210.12199	7.3
211.13409	5.4
223.09593	0.9
223.13396	3.3
225.11342	20.7
226.11681	1.5
227.12897	14.7
228.13435	0.9
230.68594	0.6
235.08188	5.0
243.12288	0.9
245.19225	0.6
247.20622	2.7
253.09302	20.5
254.09702	1.3
273.18628	1.6
275.20193	3.1
281.13864	0.6
289.18057	1.5
291.19678	100.0
292.19965	9.9
293.21249	39.0
294.21698	4.1
307.19431	0.7
308.61685	0.6
309.20779	1.2
422.21848	0.6
443.19354	3.1
461.20313	6.1
483.31073	1.4
501.32132	0.7
504.79736	0.7
509.27637	0.9
527.28644	4.3
528.29205	1.1
719.40002	1.6
720.41620	0.7
737.41254	17.7
738.41656	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	737.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.9
59.01380	8.4
61.00095	0.5
61.98831	3.8
68.98209	0.5
69.03461	3.9
69.64687	3.0
71.01381	5.1
71.05034	2.3
73.02946	1.4
78.95904	0.9
82.16637	0.4
83.01392	0.7
83.05042	0.7
85.02959	0.9
86.71088	0.5
87.00874	1.4
89.02459	2.9
95.01437	0.7
97.02964	1.0
97.06625	0.8
101.02435	4.4
105.58255	0.6
109.06596	1.1
110.03780	0.5
111.04540	0.9
112.14041	0.5
113.02436	1.7
119.03535	0.9
123.08139	1.0
125.02423	0.5
125.09720	1.9
137.09805	0.6
138.89467	0.5
144.49074	0.5
149.09749	0.7
151.11282	2.0
153.12843	1.6
161.04509	1.1
161.09720	4.2
163.11259	0.6
169.12306	1.7
171.10239	1.2
179.10745	6.7
197.11821	89.8
198.12164	5.1
205.08719	1.4
206.68410	0.5
207.10226	2.0
209.11818	0.5
211.13457	0.7
223.09737	3.5
225.11305	1.3
235.08185	1.2
241.10858	4.8
253.09308	4.0
255.23335	0.8
277.21716	34.2
278.21848	2.7
293.21216	1.5
342.52994	0.5
407.65140	0.5
459.18848	1.4
477.19644	2.4
591.75732	0.6
679.38373	0.9
719.40271	0.7
737.41132	100.0
738.41461	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98521	0.5
59.01374	1.1
61.98830	100.0
62.98535	0.9
63.99254	0.7
65.27872	0.4
69.51714	2.8
71.01395	2.0
79.95741	2.3
80.96536	3.4
83.05039	1.4
85.02968	0.7
87.00889	0.8
89.02494	0.5
90.98979	0.4
91.90948	0.4
94.98081	0.6
96.96078	0.5
101.02457	0.8
113.02463	0.6
125.02447	0.7
134.97629	0.4
163.11273	0.8
165.12830	0.7
169.01462	0.7
169.12354	1.3
171.10309	1.5
209.11823	31.2
210.12256	1.5
211.13408	0.6
221.77071	0.6
225.00636	1.0
225.11430	0.8
227.12938	5.3
235.08357	0.6
253.09308	1.9
390.56769	0.5
436.08752	0.5
445.21121	1.1
536.72119	0.6
576.69720	0.6
585.26221	0.5
687.32758	0.7
737.29999	3.1
738.32166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.8
61.98540	1.1
61.98834	15.1
63.96221	1.7
69.03442	1.4
69.98309	1.7
69.98692	1.1
71.01385	9.4
73.02934	2.5
78.95942	1.0
78.98595	6.5
79.95738	15.8
80.96523	83.3
81.03457	1.3
83.05000	2.1
85.02962	3.5
87.00871	3.8
89.02431	1.0
93.97311	0.6
94.98099	18.4
95.01396	0.6
96.95999	1.8
97.02950	2.4
99.00893	1.0
101.02435	3.5
106.98109	4.7
113.02443	1.4
113.47404	0.7
122.97598	4.9
123.00912	0.7
125.02450	7.0
125.93204	0.6
127.03995	0.8
134.97594	5.7
136.88687	0.6
136.99130	2.3
148.99147	7.7
152.98615	5.7
161.04440	0.7
163.11256	1.4
164.98618	14.4
166.99960	0.9
169.01402	2.0
169.12320	1.3
171.10280	5.9
179.05591	0.9
197.11783	5.9
206.99657	3.9
209.11842	19.7
210.12129	1.6
215.12946	3.8
225.00761	26.5
225.02971	1.3
225.11258	0.9
226.00911	1.2
227.12871	3.0
253.09183	1.3
283.04984	0.9
388.80988	0.6
396.68488	0.7
509.17010	4.8
648.55994	0.8
673.34436	0.8
674.17572	1.0
674.34839	0.9
687.32562	1.4
705.33368	0.9
719.34222	0.8
737.30585	100.0
738.30725	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	737.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.2
61.98830	100.0
62.98542	0.8
63.90701	0.4
63.91104	0.4
63.99251	0.8
71.01394	1.6
71.77365	0.3
78.95899	0.7
79.95740	1.3
80.96523	3.0
80.97997	0.4
83.05081	0.7
94.98067	0.6
95.01401	0.4
101.02452	1.0
111.08170	0.9
113.54177	0.4
125.02412	0.5
132.94897	0.4
136.76387	0.4
152.01361	0.4
163.11252	0.6
165.12917	0.4
171.10368	0.5
197.11855	4.6
207.10313	0.9
209.11819	13.6
210.12195	1.1
211.13391	2.1
223.13385	2.1
225.00739	0.8
225.11284	0.4
227.13002	1.1
235.08310	0.9
253.09467	1.5
291.19662	2.1
309.20636	3.2
310.21014	0.6
400.73135	0.4
447.41730	0.4
665.28754	0.7
691.31268	0.5
737.33630	1.5
758.38220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15047	0.4
64.51862	0.4
70.36057	0.5
70.36403	1.3
71.01373	0.6
72.76918	0.5
73.75646	0.4
81.03438	0.7
84.92659	0.4
85.55399	0.4
93.03434	0.5
96.96013	0.7
98.20651	0.6
108.02171	70.9
108.29159	0.6
109.02982	12.5
114.79253	0.4
121.02946	0.9
123.00732	0.4
123.04478	1.4
125.02451	0.7
133.02975	0.6
135.00883	1.0
137.02446	22.8
138.02759	0.8
141.62976	0.4
151.04015	11.2
152.01152	56.0
153.01942	25.6
153.05551	0.5
154.02284	0.8
163.04028	0.8
165.01958	1.1
169.01363	0.8
285.06146	100.0
286.06467	6.6
299.07715	3.8
320.95749	0.4
359.88913	0.5
449.13226	0.7
451.13373	0.8
685.50519	0.4
730.98273	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.8
61.98833	100.0
69.55083	0.2
71.01392	0.6
73.23463	0.2
73.29760	0.2
78.81194	0.2
78.95916	0.9
83.05033	0.3
85.02983	0.3
89.02451	0.3
98.19902	0.6
101.02470	0.5
101.92712	0.2
109.06563	0.3
111.08211	0.3
119.72485	0.2
125.02468	0.3
135.08185	0.2
136.02153	0.2
137.84811	0.2
152.99622	0.3
161.04662	0.3
163.11325	0.5
165.12892	0.2
171.10324	0.9
197.11833	1.4
199.13406	0.3
207.10335	1.0
209.11833	6.4
210.12276	0.2
211.13390	2.1
212.13812	0.4
225.11296	0.9
227.03693	0.3
227.12976	0.5
235.08282	0.3
253.09322	0.8
255.03093	0.3
277.21741	0.2
284.03326	0.2
289.18213	0.4
291.19724	2.1
293.21289	0.9
302.84100	0.2
307.19342	0.5
309.20679	1.4
324.12720	0.2
352.54984	0.2
446.07047	0.2
461.20526	0.3
485.78674	0.2
646.75549	0.2
665.25909	0.3
719.40430	0.3
736.39514	0.6
737.40430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42115	0.2
59.01387	0.6
61.98830	100.0
64.41332	0.2
71.01384	0.6
78.95911	0.5
83.05045	0.4
87.00876	0.2
89.02455	0.2
101.02476	0.4
109.06624	0.2
111.08148	0.3
113.02397	0.2
117.60722	0.1
125.09753	0.2
134.24835	0.2
152.99631	0.3
161.04428	0.2
163.11258	0.2
168.51506	0.2
171.10268	0.4
185.12094	0.2
197.11800	1.3
207.10304	0.8
209.11813	5.5
211.13385	1.8
212.13887	0.3
225.11383	0.7
227.03590	0.4
227.12985	0.4
229.18222	0.2
235.08296	0.4
236.89540	0.2
253.09329	0.8
255.03070	0.3
289.18231	0.4
291.19641	2.1
291.22614	0.2
293.21280	0.7
309.20691	1.4
461.20694	0.2
718.39282	0.4
719.40356	0.3
736.40308	0.5
737.27734	0.3
754.66742	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.34
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63005	0.2
55.96529	0.2
59.01389	1.3
59.96561	0.2
61.98831	100.0
71.01382	1.0
78.95921	0.5
85.02963	0.3
89.02457	0.9
97.02995	0.2
98.20694	0.2
101.02470	0.6
101.54451	0.2
103.65037	0.2
109.06609	0.3
113.02445	0.4
114.51488	0.2
119.03499	0.2
135.52562	0.2
171.10284	0.3
197.11752	0.2
207.10341	1.0
209.11803	1.2
210.12251	0.2
211.13403	1.4
223.77298	0.2
225.11304	1.8
227.12930	0.2
235.08255	0.4
253.09344	0.7
277.21637	0.9
278.22153	0.7
289.18091	0.9
291.19775	0.5
293.21243	1.2
307.19165	0.2
325.56509	0.2
389.91562	0.2
397.13531	1.2
398.13681	1.0
415.14688	0.5
416.15228	0.3
461.20340	0.6
615.13049	0.2
737.42096	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53392	0.2
59.01384	1.1
61.98829	100.0
62.98547	0.2
71.01376	1.0
73.38676	0.2
78.95903	0.2
80.70164	0.1
82.95462	0.1
85.02982	0.2
87.00881	0.2
89.02460	0.6
97.02983	0.2
98.20635	0.5
101.02457	0.7
102.02786	0.2
113.02412	0.3
115.74306	0.2
125.02505	0.3
133.06184	0.2
146.57109	0.2
163.11334	0.2
171.10294	0.2
207.10281	0.5
209.11806	0.9
211.13405	1.1
213.14368	0.2
225.11349	1.5
235.08191	0.4
253.09387	0.5
277.21719	1.1
278.22046	1.1
289.18240	0.4
291.19629	0.2
293.21286	0.7
307.19345	0.2
397.13467	1.3
398.13937	0.7
415.14725	0.5
416.14902	0.3
461.20520	0.3
543.63446	0.2
624.39630	0.2
674.57568	0.2
676.35608	0.2
737.41229	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
59.01362	0.9
61.98801	0.8
71.01376	1.6
74.50583	0.7
74.54965	0.7
78.95905	27.8
79.95732	1.6
80.96513	5.5
82.52943	0.9
85.02947	0.9
94.98091	2.1
96.96004	1.1
98.20595	2.1
99.08170	5.7
110.98532	19.8
122.97579	4.9
125.09704	2.1
127.11283	5.8
139.11281	10.2
139.76059	0.8
152.99608	2.4
155.10776	1.0
164.98631	0.9
167.01146	7.7
167.14345	1.0
171.10266	35.5
172.10680	1.6
183.13873	5.4
193.12286	1.8
196.89465	3.2
209.11778	2.0
211.13394	26.8
211.15422	1.9
212.13725	1.9
229.14468	16.2
255.23274	83.5
256.23602	7.3
277.21735	6.9
279.23264	2.5
289.18048	1.2
293.21222	2.0
305.17648	1.1
314.09021	0.8
329.23297	67.7
330.23587	7.1
350.79709	0.8
354.30026	0.9
423.25217	5.0
424.25781	0.9
479.24030	1.6
735.48370	100.0
736.48804	27.4
766.64624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98526	0.2
70.78548	0.2
71.27819	0.3
115.87908	0.2
155.06926	0.2
166.49657	0.2
354.53296	0.2
451.65646	0.2
529.70294	0.2
547.59631	0.2
547.67407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50718	10.1
61.98830	31.0
63.11262	10.1
66.60007	10.6
67.64052	10.4
78.95899	68.9
80.96532	13.4
89.84610	8.2
96.56750	10.3
99.86449	10.5
149.01257	9.9
152.99586	45.7
171.10323	18.6
196.89497	43.0
207.10231	47.5
221.11829	13.6
225.11288	15.9
239.12930	15.1
255.23279	100.0
323.12711	10.5
499.19357	46.2
500.19653	12.3
699.43256	39.8
735.27924	25.8
735.41223	43.5
736.40662	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	735.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03447	0.5
58.00601	0.3
59.01106	0.4
59.01376	5.7
61.98831	3.2
69.03458	2.0
70.34745	0.2
71.01378	4.7
71.05009	0.7
73.02940	1.1
79.64265	0.3
83.01388	0.5
83.05006	0.8
85.02944	1.1
85.06591	0.4
87.00874	1.0
89.02448	2.8
93.03465	0.5
95.01421	0.3
95.05029	0.6
97.02959	0.3
97.06591	0.4
98.20626	0.9
98.78192	0.3
101.02441	3.5
107.08659	0.4
108.15199	0.2
109.06592	1.1
111.08143	0.5
113.02456	1.9
113.09690	0.4
119.03490	0.9
121.10224	0.3
122.17596	0.2
125.02453	0.5
125.09695	0.6
135.11736	0.5
141.09164	0.5
143.03479	0.6
145.05086	0.6
149.09679	0.5
161.04575	1.8
161.09483	0.3
161.13338	0.5
163.11302	0.3
167.10800	3.1
171.10275	0.7
177.12810	0.7
179.05632	0.7
179.10735	1.3
179.14410	3.2
195.13895	16.9
196.14261	1.4
197.11812	0.4
205.12315	9.7
206.12650	1.1
207.10249	0.9
209.11838	2.5
211.13362	0.7
223.13377	100.0
224.13722	8.0
225.11296	0.7
225.14871	0.8
228.13586	0.6
231.21150	0.3
235.08243	4.1
253.09270	16.2
254.09567	0.9
256.13165	1.0
261.91611	0.3
265.21808	0.3
275.20145	5.5
276.20370	0.6
289.18106	0.7
291.19672	0.8
293.21216	81.7
294.18192	0.5
294.21539	9.9
307.19241	0.3
317.76389	0.3
321.23035	0.3
441.21429	0.5
459.22363	9.6
460.22717	1.4
499.34381	0.6
529.30176	1.3
717.37897	0.4
735.41638	1.3
736.43298	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	9.4
67.01875	3.3
71.01382	5.5
71.33957	3.8
71.42023	2.1
71.78275	2.1
78.95905	100.0
78.98568	4.1
79.95735	6.7
80.96520	54.6
83.05038	5.3
85.02946	13.8
94.98075	11.5
96.96983	4.1
97.02952	3.2
99.92570	8.7
101.02341	2.4
115.92077	22.3
116.24387	2.1
116.92854	16.8
134.97540	2.8
142.81967	2.2
148.99132	5.0
152.98567	2.6
152.99600	37.4
164.98653	10.2
169.72885	2.2
171.00624	4.7
171.08961	2.9
171.10266	19.7
172.95537	3.0
177.12909	2.6
178.88406	8.9
179.89206	27.2
180.90097	11.5
196.89474	38.6
197.89410	2.7
200.85167	2.3
221.11809	11.6
225.00780	13.7
235.91885	5.1
236.92546	6.9
239.12872	19.3
253.21745	11.4
255.23256	6.2
277.21695	3.1
289.18158	3.9
297.15271	4.3
325.10574	5.3
329.30673	2.3
357.11197	2.1
407.14429	2.5
453.81583	2.8
465.05865	6.0
467.16766	7.6
499.19537	51.1
500.19669	5.8
644.24591	3.3
699.26172	2.7
717.27185	4.7
718.27747	3.0
735.28033	43.5
735.40271	74.2
736.28290	14.7
736.40594	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	735.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44179	0.7
59.01378	1.5
63.37860	0.6
63.96233	1.8
69.03452	1.2
69.97934	3.0
71.01378	7.8
73.02943	2.0
78.95904	5.7
78.98594	7.2
79.95731	13.9
80.68936	0.7
80.96516	81.8
85.02943	4.3
87.00870	2.2
94.97485	1.1
94.98088	16.4
96.96004	1.1
97.02948	2.4
99.00874	0.9
99.73257	0.6
100.48062	0.7
101.02419	2.8
106.98068	3.2
109.26780	0.6
110.98534	3.1
118.90453	0.6
122.97567	4.0
125.02455	3.9
127.04030	1.4
134.97601	5.2
136.99078	1.4
146.97620	0.7
148.99139	6.4
152.98628	6.0
152.99692	0.7
164.98624	11.9
167.01169	1.1
171.10231	2.1
172.10640	1.0
183.13829	0.6
197.11855	1.4
206.99614	2.1
211.13379	2.4
225.00716	20.4
229.14369	1.8
251.05554	0.6
255.23306	8.5
256.23563	2.2
277.21649	2.3
289.18103	1.6
327.21759	1.5
328.21979	1.0
329.23273	3.4
479.15994	3.0
500.32065	0.7
537.27130	1.2
734.46191	1.5
735.39648	100.0
736.40076	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	735.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74288	0.3
53.85996	0.3
57.03455	0.5
59.01383	2.9
61.48954	0.3
61.98830	100.0
62.98508	0.4
63.99259	0.5
70.65214	1.0
71.01382	10.2
71.44111	0.3
73.02951	1.0
75.00853	0.5
78.95928	0.5
80.96537	0.4
81.03448	0.5
83.01392	0.9
83.05039	1.2
83.19087	0.3
84.02176	0.7
85.02955	1.2
86.01829	0.3
87.00887	1.0
89.02453	1.5
95.05032	0.6
96.96044	0.6
97.02966	1.3
99.00890	0.7
101.02448	1.6
109.06586	2.0
111.00907	0.3
113.02465	1.0
115.03995	0.3
125.02472	1.1
125.09700	1.8
127.11295	1.0
129.01964	0.6
135.08150	0.5
137.09674	0.3
143.03502	0.7
145.05122	0.3
155.10777	0.3
161.04593	0.7
161.09752	0.4
163.11279	3.0
169.01390	0.6
169.12419	0.5
171.10266	13.3
172.10576	0.7
179.05771	0.4
179.10806	0.7
181.12386	1.1
183.10292	0.3
185.11888	1.0
189.09271	0.5
189.42749	0.3
191.10805	0.8
197.11852	3.9
201.11336	6.5
207.10281	7.4
207.12206	0.4
208.10641	0.6
209.11823	12.5
210.12114	1.6
211.13400	2.4
215.12946	0.7
218.94037	0.3
225.11327	9.3
226.11732	0.6
227.12842	1.6
235.08212	1.4
239.12888	2.5
243.12434	0.4
243.16228	0.4
253.09288	4.7
273.17081	22.1
274.17355	2.0
295.10291	0.7
308.33118	0.3
323.19348	0.3
375.47119	0.3
443.19455	0.5
461.20349	1.8
481.27420	0.4
671.32361	0.4
703.36353	0.7
717.37860	1.2
735.38452	1.8
736.39539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93261	3.1
61.98835	19.2
71.01395	3.6
71.25510	4.1
71.25865	7.5
78.95912	100.0
78.98614	3.2
79.95737	9.6
80.96529	45.9
85.02951	8.6
94.98083	5.7
96.96925	4.4
99.92595	11.7
115.92075	27.7
116.92865	20.6
143.49928	3.3
143.61975	3.2
152.98787	3.5
152.99628	36.8
161.34505	3.4
164.98654	4.8
171.00558	4.4
171.10275	20.8
172.95461	6.9
178.88417	13.9
179.89226	33.7
180.89958	13.4
185.73378	3.1
190.67020	3.3
194.51100	3.2
196.89481	43.2
221.11838	10.9
225.00710	10.7
235.91809	6.0
236.92603	9.1
239.12958	8.1
253.21735	9.7
255.23381	3.4
333.97415	3.4
464.06598	4.1
465.06201	7.6
467.16843	4.0
499.19418	22.2
735.28046	50.8
735.40155	79.4
736.28314	19.6
736.40765	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	734.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35339	0.2
57.50398	0.2
59.01380	0.2
61.98832	100.0
62.98529	0.2
71.01406	0.2
71.07130	0.1
92.60401	0.2
98.20674	0.2
116.26844	0.1
125.09702	0.2
134.58551	0.1
144.84148	0.1
173.54535	0.1
186.05869	0.1
197.11871	0.4
209.11816	0.9
210.12291	0.4
229.01807	0.1
269.02390	0.1
314.49677	0.1
466.88596	0.1
485.47379	0.2
734.38977	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99351	0.1
61.98830	100.0
62.98533	0.2
71.27744	0.3
72.59842	0.1
76.44314	0.2
80.50806	0.1
145.16174	0.2
145.17282	0.1
150.10393	0.2
209.11865	0.2
247.15877	0.2
337.11771	0.2
666.27820	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	2.5
61.98829	58.1
71.01370	3.8
83.05018	3.9
98.20670	5.8
125.02448	3.6
134.37328	2.1
163.11288	5.9
169.01425	2.1
171.10188	3.2
183.02968	4.6
199.13269	3.0
209.11809	100.0
210.12181	7.8
221.78790	2.3
227.12909	15.2
229.23155	3.1
253.09218	4.7
549.84460	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	733.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56687	0.3
54.24613	0.3
59.01114	0.5
59.01383	7.3
61.98825	3.1
69.03453	0.5
70.92333	0.8
71.01382	5.1
73.02942	0.8
81.03477	0.3
83.05024	0.7
85.02946	0.5
87.00883	0.6
87.10497	0.3
88.33787	0.3
89.02450	1.4
101.02434	1.4
109.06612	1.0
113.02438	1.0
116.95103	0.4
117.07139	0.4
161.04471	0.8
165.12872	0.4
167.14388	0.6
171.10263	1.3
171.11658	0.4
183.13885	6.2
193.12352	1.2
199.09818	0.6
207.10229	2.8
209.11829	2.3
211.13388	100.0
212.13745	6.1
223.09705	0.8
225.11302	2.6
227.12849	1.3
235.08202	2.3
253.09296	3.8
255.23317	0.4
295.22699	0.4
300.54950	0.4
309.20337	0.5
429.21030	1.0
440.98138	0.4
443.19073	0.5
447.22330	7.9
448.22775	1.0
461.20163	0.5
490.37958	0.4
584.38672	0.3
623.34497	1.7
637.32489	0.6
641.35272	1.4
642.35626	0.5
656.33966	0.4
733.38379	1.2
734.39819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30902	1.3
51.66426	1.5
57.03431	1.6
59.01381	28.0
61.98821	5.3
71.01379	59.3
73.02939	2.9
78.95894	3.7
82.98830	1.4
85.02955	2.1
87.00867	2.2
89.02444	3.4
97.02926	2.6
98.20760	3.2
99.00916	3.6
101.02453	7.0
109.06599	8.4
113.02454	3.9
121.06611	1.9
125.09710	2.7
135.08153	2.4
137.28728	1.4
137.62263	1.8
160.57588	1.3
161.04549	2.4
163.11296	7.3
165.12808	2.0
171.10239	6.7
177.09171	1.4
179.05487	1.8
181.12366	3.0
183.13919	8.6
185.11884	2.8
193.12363	2.4
199.13428	3.8
201.11259	3.1
207.10274	32.0
209.11839	17.9
210.61462	1.4
211.13391	100.0
212.13666	5.2
225.11319	19.5
227.12909	18.5
235.08185	5.2
243.12383	1.9
253.09276	9.1
293.21252	3.8
329.41898	1.7
355.23294	1.8
373.23773	2.0
391.24829	2.1
401.23264	5.2
419.24789	3.5
443.19220	1.7
461.20383	5.5
607.69055	1.5
637.32648	4.2
638.32782	1.7
655.33105	8.1
656.33594	3.8
733.38910	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	733.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.4
59.01375	7.9
61.98832	2.4
71.01383	6.5
73.02958	0.5
75.81311	0.3
78.95885	0.6
83.05021	0.4
85.02937	0.7
87.00835	0.4
89.02430	1.2
97.02949	0.3
101.02441	2.1
109.06592	1.3
113.02415	1.1
123.08189	0.4
125.09731	0.4
161.04529	0.8
163.11259	1.2
165.12740	0.4
165.58339	0.3
167.14438	0.6
171.10269	1.2
181.12282	0.6
183.13882	6.4
184.14211	0.7
193.12282	1.2
197.11845	0.4
199.09767	0.9
199.13393	0.5
201.11346	0.5
207.10263	4.1
209.11823	2.4
211.13383	100.0
212.13745	5.8
223.09738	0.9
224.33817	0.4
225.11282	2.7
227.12840	1.4
235.08191	1.3
253.09236	4.3
259.79684	0.4
309.20801	0.7
391.24683	0.5
401.23386	0.6
419.24628	0.4
429.21454	1.1
447.22302	7.6
448.22440	1.3
461.20435	0.7
623.13800	0.3
623.34283	1.6
627.00616	0.4
630.72809	0.4
637.32288	0.9
641.35480	0.9
655.33551	1.0
733.38220	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	732.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06341	0.1
56.26344	0.1
56.41291	0.1
59.01384	0.2
61.98832	100.0
62.07871	0.1
62.98544	0.2
65.40182	0.1
71.01413	0.2
75.00835	0.2
78.95929	0.2
83.05051	0.1
85.36811	0.1
88.98804	0.1
96.96066	0.1
109.06641	0.1
120.88344	0.1
171.10266	0.5
197.11813	0.3
207.10252	0.3
209.11780	0.7
219.17447	0.1
225.11366	0.4
253.09302	0.1
341.99982	0.1
458.33295	0.2
579.32251	0.1
641.31677	0.1
732.33063	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	732.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.1
59.41505	0.1
60.49713	0.1
61.98831	100.0
62.98551	0.2
74.11267	0.1
75.10950	0.1
77.52472	0.1
89.02460	0.2
105.04820	0.1
120.89620	0.1
165.37802	0.1
171.10271	0.6
209.11823	0.4
211.13438	0.2
229.50536	0.1
289.45895	0.1
341.23499	0.2
408.74661	0.1
425.21381	0.2
589.02454	0.1
700.22144	0.2
733.38812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82385	0.6
58.88313	0.5
59.01383	1.1
61.84669	0.5
71.01394	1.2
71.51196	0.5
71.51591	0.7
78.37589	0.5
82.48455	0.5
87.63354	0.6
89.02452	1.2
101.02451	0.9
113.02488	0.5
119.03461	0.7
120.63614	0.6
121.02959	1.3
122.03757	3.6
125.02435	2.8
135.04530	1.8
136.01654	2.6
137.06087	76.5
138.06416	2.7
163.04019	20.0
164.04355	1.3
168.00333	0.6
168.78650	0.5
169.01451	2.8
170.01872	0.6
179.07147	0.7
181.05070	100.0
182.05403	5.9
236.10690	0.6
267.11569	0.5
286.50211	0.6
336.42831	0.6
343.10339	54.6
344.10593	4.9
363.03918	0.5
393.54807	0.6
470.05554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31633	2.3
59.01368	6.3
61.98832	100.0
68.99571	3.4
69.01155	2.2
69.96584	5.7
70.70461	1.9
71.01372	7.6
72.99330	2.4
75.00864	3.0
78.95908	4.4
83.05032	4.4
84.95085	2.0
85.02946	2.6
88.98788	3.0
89.02446	5.2
95.08345	2.0
96.96016	9.5
97.02945	6.5
99.00891	5.4
101.02489	2.3
109.06582	4.4
112.98551	3.2
113.02489	3.1
123.00896	3.8
125.02470	5.3
125.09671	5.0
135.08046	2.2
143.25925	2.1
148.22931	1.9
163.11295	7.1
164.29414	1.9
165.12839	2.6
169.01421	6.6
171.10291	16.3
181.12318	9.9
185.11795	2.8
197.11882	4.8
207.10258	28.2
209.11833	84.9
210.12131	6.3
211.13254	2.3
225.09248	3.2
225.11322	45.9
226.11595	2.9
227.12872	17.8
235.08141	3.6
243.12326	5.5
253.09151	5.3
285.04062	2.6
286.04398	2.4
341.23297	4.8
355.12192	1.9
406.76648	2.6
417.22214	2.1
443.18982	2.4
445.20984	2.6
461.20392	14.3
462.20834	4.1
634.42926	2.3
653.31732	11.9
654.32391	2.2
671.32855	13.1
731.33899	2.3
732.37854	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
68.98134	0.1
69.15974	0.1
69.70255	0.8
70.79860	0.1
80.96527	0.3
86.24899	0.2
98.19968	0.2
100.93533	0.1
118.07172	0.1
171.10321	0.4
274.10327	0.1
277.21838	0.2
278.22125	0.3
366.76236	0.1
527.64716	0.2
639.31647	0.1
731.37335	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37985	0.1
59.01364	0.2
61.98828	100.0
62.98534	0.2
73.83865	0.2
74.49944	0.1
75.97034	0.1
80.96523	0.2
128.00027	0.2
171.10320	0.4
172.10593	0.3
277.21677	0.2
387.67010	0.2
723.59882	0.2
731.38159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20541	0.5
54.98257	0.5
59.01364	0.7
60.99308	18.0
61.40073	0.5
61.98830	4.6
87.00882	4.2
88.98810	100.0
89.02448	23.4
89.03018	1.0
89.99145	1.2
156.50461	0.5
171.10307	0.6
229.10342	0.6
284.84988	0.6
438.13721	1.1
439.14023	1.0
466.12921	0.7
467.13550	2.2
468.13699	0.8
481.15228	15.1
482.15726	6.3
483.16486	1.1
495.16876	1.6
497.18359	3.9
498.18866	1.2
514.14972	8.0
515.15326	2.0
528.16656	0.6
540.16559	4.2
541.16913	1.1
555.18896	39.3
556.19116	11.6
572.15637	8.1
573.16034	2.7
627.20331	0.7
641.22937	1.5
642.23322	0.7
659.23639	25.3
660.23785	8.9
731.25250	3.2
732.26440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20110	0.2
59.01369	0.2
61.98831	100.0
71.21172	0.4
71.29515	0.2
75.00880	0.5
94.37431	0.2
111.41048	0.2
125.02423	0.2
140.69466	0.2
171.10323	0.5
197.11803	0.4
199.09746	0.2
201.11353	0.5
207.10342	0.2
209.11903	0.4
211.13448	0.2
223.13275	0.4
224.68507	0.2
253.09291	0.4
318.41483	0.2
714.91211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	7.5
61.10257	1.5
61.98832	14.2
71.01382	7.5
72.99345	1.9
74.30849	1.5
78.33025	1.6
83.05036	2.4
85.02983	1.8
87.00867	2.0
89.02447	6.1
101.02453	5.1
109.06660	1.5
111.08143	4.1
113.02435	4.0
113.79462	1.7
119.03408	2.2
125.09749	3.2
127.11301	2.9
161.04544	4.0
163.11296	3.0
165.09167	1.6
167.10722	2.5
169.12367	3.2
171.10251	4.7
173.77817	1.8
179.14424	2.9
181.12379	2.2
195.13869	6.7
197.11832	23.4
199.09769	2.2
199.13318	2.3
201.11319	100.0
202.11739	5.8
205.12308	4.9
207.10330	3.3
209.11810	58.2
210.12183	5.3
211.13455	9.1
219.99077	2.2
220.81146	1.7
223.13387	62.5
224.13681	3.5
225.11353	1.7
227.12845	13.6
235.08261	4.7
253.09264	34.3
291.19644	12.9
309.20709	34.5
310.21085	4.3
437.20187	2.0
437.57507	1.9
459.22223	11.2
493.31299	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	729.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00409	1.3
51.82919	1.3
53.11289	1.1
54.40211	1.2
54.78741	1.2
59.01379	9.7
60.99305	17.2
61.98835	23.4
68.99586	1.9
70.94825	1.3
71.01404	7.0
71.51418	1.6
78.95905	2.1
85.02955	1.5
87.00876	2.3
88.98811	100.0
89.02447	12.0
89.99204	1.8
95.21374	1.5
96.96006	4.0
97.02960	3.0
99.00884	1.9
101.02451	3.2
109.06606	7.8
113.02474	2.4
116.92813	1.4
125.02419	3.2
125.09726	3.3
135.08150	1.7
163.11290	5.9
169.01436	2.3
171.10229	2.5
171.77740	1.4
179.05553	2.0
181.12350	4.2
185.11853	6.1
197.11755	3.4
199.09755	1.8
199.13245	1.4
201.11317	12.6
207.10280	24.6
208.10466	1.5
209.11801	7.6
211.13506	8.6
212.13684	1.6
223.13354	2.4
225.11324	21.3
226.11710	2.3
227.12866	1.7
235.08273	2.0
253.09299	4.3
255.03146	1.7
284.03174	3.5
291.19629	3.1
337.87796	1.7
371.22302	3.5
389.23206	5.8
461.20245	3.6
607.30933	5.0
625.30408	2.6
651.30170	6.0
669.30939	12.5
669.40674	1.7
670.31769	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	729.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	31.1
61.98832	54.7
63.74339	2.7
71.01389	16.1
72.99293	4.0
74.12430	2.9
75.82516	3.2
78.95892	4.5
81.03454	4.7
83.05042	6.8
84.57203	2.6
85.02917	5.2
86.57475	3.3
87.00868	3.1
88.98789	5.5
89.02448	7.2
96.96040	5.9
97.02959	13.1
97.06586	3.9
101.02458	10.9
101.03106	3.1
109.06602	40.8
113.02437	7.8
125.02492	6.2
125.09705	11.4
127.11310	4.5
129.68710	3.4
133.71947	3.2
135.08174	7.6
160.95453	2.8
161.04558	3.2
161.09647	3.0
163.11276	23.1
164.11598	2.7
169.01395	3.2
171.10208	7.8
181.12303	9.2
185.11830	6.7
187.09721	5.0
189.09129	3.8
194.64067	3.1
197.11848	13.0
197.78688	3.3
201.09537	5.9
201.11317	57.8
207.10265	100.0
208.10587	4.9
209.11864	24.2
209.82173	3.3
210.12206	3.9
211.13379	28.0
212.13759	7.0
218.02269	3.2
223.13379	8.2
225.11325	43.8
227.12898	10.3
253.09230	27.6
256.82715	3.6
291.19699	3.9
299.15118	3.2
309.20670	22.0
369.37225	3.2
371.22549	3.5
397.20273	6.7
415.21173	14.2
433.22089	6.6
461.20267	14.8
607.27509	12.5
613.16632	3.3
625.28943	25.3
626.28992	9.3
633.28485	6.6
651.30188	56.6
652.30493	10.1
669.31274	26.9
670.31476	6.5
729.35132	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	729.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51036	1.0
57.03440	9.8
58.54026	1.1
59.01365	2.1
61.98831	1.6
68.09209	1.1
69.03437	1.3
71.01357	2.1
78.05322	1.1
81.03462	1.7
83.01376	3.3
89.02435	2.5
93.03440	2.2
95.05003	1.1
97.02943	3.2
109.02939	16.0
116.33703	1.1
119.04998	1.1
121.02940	2.5
123.04530	10.5
125.02443	100.0
126.02771	3.2
129.74875	1.0
133.02931	2.7
135.04518	2.1
137.02443	16.5
139.03970	2.0
147.04546	2.9
149.02420	5.5
150.03262	1.9
151.03995	10.2
159.04488	2.9
161.02440	21.0
161.06110	2.6
162.03165	2.3
163.00406	2.6
163.04042	5.4
164.01123	2.4
165.01883	4.9
167.03410	1.4
169.01407	30.5
173.06003	1.4
175.03998	7.3
175.07640	1.2
177.01915	3.1
177.05591	1.9
179.03488	2.9
185.06024	1.9
187.04013	6.2
188.04675	1.9
189.01923	1.7
191.05573	6.0
199.04002	3.7
201.05565	2.9
202.20622	1.1
203.03496	1.8
203.07082	5.6
205.01353	1.4
205.05078	6.9
211.03929	1.5
213.05458	1.5
217.05043	2.5
223.03973	1.2
225.05513	1.8
227.03484	3.3
227.07033	2.4
229.05014	4.0
231.02913	2.3
241.05089	2.4
243.02974	1.5
245.04524	7.0
245.08148	8.0
245.91168	1.5
253.04993	1.5
255.03004	6.1
256.03696	3.2
257.04404	3.1
269.04544	18.9
270.05008	1.4
271.06100	3.9
273.04010	2.9
281.04419	4.3
283.02625	1.3
285.03931	2.8
287.05588	17.0
289.07172	30.3
290.07492	1.6
298.04544	1.3
299.05466	5.4
300.99869	2.2
303.05090	3.6
311.05643	1.5
313.03436	2.5
330.55161	1.2
337.09848	1.2
339.08902	2.6
381.09595	1.4
386.32623	1.1
407.07697	39.6
407.99261	1.1
408.08041	5.3
419.08139	1.5
425.08759	20.6
426.09192	1.4
433.09070	11.1
434.09579	1.4
437.08688	5.6
449.08768	6.9
451.10559	12.4
452.10260	1.4
515.13702	1.4
531.25403	1.1
541.11182	2.5
559.12372	13.4
560.12561	3.6
560.68323	1.3
577.13513	24.5
578.13751	6.3
629.23364	1.3
639.20917	1.2
727.84296	1.3
729.14142	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.35
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73748	0.1
59.01369	0.3
59.13250	0.1
61.98829	100.0
62.98534	0.2
71.01393	0.2
71.50318	0.2
111.08150	0.2
125.02528	0.2
126.79747	0.2
169.01538	0.2
170.92065	0.1
183.87598	0.1
197.11815	0.9
198.12189	0.5
199.12505	0.2
223.13460	0.6
224.13795	0.4
225.14101	0.3
233.00401	0.2
291.19504	0.2
310.21075	0.3
377.82480	0.2
384.76825	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66477	0.3
55.01884	0.4
59.01380	13.2
61.98832	0.5
71.01368	1.7
78.95918	0.7
79.81674	0.3
85.02952	0.4
89.02456	1.7
98.19890	0.9
101.02451	1.4
102.53582	0.3
103.83897	0.3
113.02447	0.8
125.09705	0.8
127.11301	1.3
152.99609	0.5
153.09174	0.4
161.04588	0.6
171.10275	100.0
172.10608	5.0
209.11818	0.9
210.12215	0.4
235.08255	1.8
253.09282	6.0
255.23291	0.9
265.64090	0.3
277.21716	48.3
278.22070	5.3
279.23370	0.4
281.24683	0.5
407.19229	2.0
709.39392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.3
59.01376	2.4
61.98833	0.6
71.01386	2.4
72.99297	0.3
73.02933	0.6
75.92531	0.2
78.95906	1.0
80.02679	0.4
80.96527	0.3
81.03461	0.4
83.01389	0.5
83.05016	2.5
84.02192	0.3
85.02942	0.6
86.99227	0.3
87.00880	0.6
89.02453	1.5
95.05003	0.4
97.02900	0.4
101.02443	2.6
113.02438	1.5
119.03515	0.5
119.88300	0.3
127.76527	0.3
133.05032	0.3
135.08173	0.5
145.05087	1.1
152.99570	0.7
161.04536	1.1
163.11314	2.0
165.12842	1.2
171.10248	0.9
181.12286	0.3
191.10797	0.6
207.10323	0.3
209.11816	57.9
210.12157	4.2
220.60016	0.3
227.12878	7.6
228.13278	0.4
235.08205	5.4
252.09822	0.3
253.09288	7.8
254.09610	0.4
255.23259	1.1
281.24838	100.0
282.25186	8.9
282.28354	0.3
445.20856	0.5
517.33917	0.6
521.59662	0.3
637.37018	0.5
709.39166	0.9
727.38586	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	727.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	5.8
58.98093	3.1
59.01376	40.3
61.98827	35.7
62.13943	3.9
66.07034	4.8
67.07925	3.2
67.92033	3.5
69.03465	6.4
71.01389	22.3
73.02951	6.8
78.95902	8.9
83.01394	5.4
83.05032	6.9
83.78622	3.8
87.00844	4.0
89.02455	15.9
97.02924	8.5
97.06570	5.0
101.02444	14.1
105.22010	3.8
109.06599	33.5
113.02449	10.5
123.08262	3.9
125.02386	4.4
125.09691	4.8
161.04576	6.9
162.03322	3.6
163.11292	23.6
165.12910	3.9
167.10674	7.6
169.01434	5.0
169.12315	3.7
171.10266	11.9
176.56300	4.6
179.05542	4.4
181.12334	8.5
185.11757	5.7
195.13850	20.2
197.11810	17.7
198.12155	4.8
199.09706	27.7
201.11327	61.8
205.12277	16.3
207.10255	93.7
208.10622	7.2
209.11870	19.9
211.13361	13.6
223.13371	100.0
224.13666	8.6
225.11298	50.0
235.08121	11.9
253.09305	32.3
289.18079	16.5
295.22675	4.2
307.19095	18.8
309.20697	16.1
333.68564	3.5
395.22122	10.9
413.23236	22.7
431.24292	10.8
435.18970	4.0
443.19189	4.8
459.22272	6.9
461.20297	13.9
605.29016	4.6
631.30615	8.8
649.32104	43.7
650.32507	10.8
667.33258	63.2
668.33405	11.4
727.26764	4.1
727.39252	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	727.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79791	1.0
59.01381	33.4
61.98825	10.4
70.50604	1.3
70.50932	2.2
71.01391	4.5
71.69080	0.9
73.02937	1.7
75.31690	1.1
78.95891	1.6
81.56655	1.0
85.02898	1.0
88.70318	1.0
89.02455	2.1
101.02458	3.9
113.02458	1.3
125.09701	1.3
127.11254	1.8
147.57059	1.0
151.11284	3.3
161.04555	1.1
169.12352	32.5
170.12666	1.4
171.10269	86.2
172.10626	5.2
197.11766	2.0
209.11740	1.9
213.11269	4.6
218.14090	0.9
231.12357	3.1
235.08333	1.3
241.14467	1.1
253.09265	4.1
277.21704	32.4
278.22009	3.9
299.31329	1.2
309.20688	1.7
332.33337	1.1
369.93860	1.0
407.19275	2.2
449.20486	1.4
463.98019	1.0
467.21292	3.1
586.73663	1.2
709.41479	4.6
727.42731	100.0
728.43085	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22890	1.1
59.01379	36.5
61.98818	4.1
69.77108	1.4
71.01367	3.6
72.10124	1.2
78.95887	1.4
79.60479	1.1
82.95394	1.3
83.99438	1.1
84.95103	1.9
85.02949	1.8
89.02454	1.3
101.02449	6.0
113.02367	2.3
125.02431	1.3
151.11237	3.5
161.04562	1.7
164.87071	1.2
169.12331	29.7
170.12694	2.3
171.10262	56.7
172.10596	3.1
197.11749	1.7
199.09775	2.6
231.12325	1.9
235.08163	2.7
253.09305	5.4
277.21707	69.3
278.22073	9.6
309.20377	1.5
368.90796	1.5
404.05124	1.3
431.46979	1.2
449.20413	1.7
482.15524	3.6
483.15756	2.2
515.15027	1.6
556.19135	8.0
557.19263	3.4
642.23761	2.5
643.23114	3.7
675.22577	3.1
709.41650	4.5
710.42322	1.7
727.42682	100.0
728.43060	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12432	0.4
55.17177	0.3
59.01353	0.7
61.98830	100.0
63.59578	0.4
71.01385	0.6
73.02967	0.3
78.95910	4.5
82.14946	0.4
86.15520	0.4
86.18110	0.4
96.96987	0.9
99.23180	0.4
101.02479	0.4
106.35925	0.3
110.99165	0.4
152.99600	2.8
171.10300	1.7
202.77229	0.4
209.11819	6.9
210.12206	0.8
225.11433	1.0
227.12912	0.7
241.01422	0.4
253.09302	0.5
255.23212	2.6
256.23691	1.7
281.24854	11.2
282.25104	0.6
293.21234	0.4
295.22977	1.2
296.23178	0.4
726.40448	3.0
727.39972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
57.03461	8.4
59.01385	34.3
63.94815	1.4
67.01895	3.0
68.99826	1.3
69.03469	9.6
70.00620	1.1
70.35741	2.2
70.36131	2.9
71.01389	20.1
73.02959	13.8
76.10829	1.2
81.03458	3.6
83.01395	4.1
83.05029	2.7
84.02184	1.5
85.02963	57.6
87.00887	100.0
93.03481	6.2
95.01395	19.3
97.02957	25.4
99.00874	2.5
99.04543	4.9
101.02433	3.0
103.04031	8.0
109.02978	9.0
111.00912	8.8
111.04515	2.3
113.02465	16.7
115.00394	12.0
121.02922	1.9
125.02464	3.7
127.04020	17.4
129.01962	2.6
137.02464	4.3
139.00392	14.8
145.05077	5.7
151.04073	2.1
155.03497	4.7
157.01439	9.5
169.05092	5.1
171.02946	2.9
173.04536	3.5
175.02502	57.7
176.02815	1.5
181.63118	1.1
199.02512	39.1
207.54411	1.2
209.95486	1.2
211.93198	1.3
212.31465	1.2
217.03548	22.4
241.03476	1.6
244.03992	1.4
285.06213	2.2
303.07254	16.7
320.50784	1.4
321.08368	7.5
325.24280	1.2
345.08414	8.0
387.09418	14.5
405.10410	6.5
563.12158	2.1
623.14612	6.6
624.15344	1.3
709.18469	14.9
710.18988	2.6
727.19360	13.4
728.19745	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	727.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22206	1.3
59.01369	4.6
61.98828	6.9
62.58957	1.4
69.33397	11.9
71.01374	2.6
75.00903	1.3
83.05003	1.9
83.14611	1.2
93.51527	1.2
96.96019	2.7
97.14585	1.4
98.19811	2.2
101.02438	3.0
107.01350	1.9
113.95363	1.3
125.02425	4.7
133.42148	1.3
163.11253	1.5
169.01410	6.4
171.10295	1.5
201.11317	28.9
202.11668	1.7
209.11815	100.0
210.12143	8.1
225.11285	1.7
227.12871	22.7
228.13216	1.3
235.08157	3.9
253.09248	8.1
301.00046	2.2
344.73947	1.5
375.21628	2.1
393.22800	1.8
437.20483	2.4
445.20758	12.0
629.31665	2.1
637.31378	1.6
647.32855	1.7
673.33929	2.6
727.33087	19.0
728.33160	5.6
743.50537	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	725.4118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90260	0.8
57.03444	1.4
59.01378	7.0
59.17038	0.7
61.98838	5.7
69.03452	1.1
70.92233	1.3
70.92580	1.5
71.01368	3.7
73.02931	1.3
83.04971	0.8
85.02939	1.6
87.00858	1.6
88.56654	0.9
89.02449	2.6
95.05022	1.1
97.02934	0.8
97.06557	3.9
101.02423	4.4
113.02445	1.8
119.03616	1.0
149.09688	1.0
151.11278	13.6
161.04498	2.3
169.12343	46.9
170.12685	2.1
195.10262	3.9
195.13902	6.1
197.11842	1.4
209.11719	1.6
213.11292	6.3
223.13379	3.5
228.13721	0.9
235.08174	1.8
253.09285	4.0
256.13110	0.9
268.24713	0.8
275.20050	2.4
277.55173	0.7
279.19601	0.9
281.24881	0.8
293.21237	27.9
294.21454	2.2
313.22128	0.7
431.19128	2.7
449.20099	4.2
725.41144	100.0
726.41522	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	725.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36811	1.7
69.37220	4.6
78.95911	31.7
80.02682	1.4
81.03448	1.5
83.05038	4.2
84.02179	0.7
87.57225	0.8
96.96960	4.4
119.29652	0.6
134.88632	0.7
152.99596	32.6
163.11342	3.6
165.12849	2.0
171.00662	4.6
171.10263	3.7
183.36852	0.8
196.89429	3.5
209.11833	55.6
210.12149	4.4
227.03288	1.5
227.12920	10.3
241.01112	2.0
255.23308	100.0
256.23697	8.9
259.15585	0.8
279.23291	2.0
293.21243	2.2
295.22760	2.1
363.12140	3.2
366.99420	0.7
386.83075	0.7
395.14893	2.1
437.15823	3.3
469.18756	1.2
483.27316	1.4
487.19031	1.0
522.46906	0.9
616.97040	0.9
693.39764	13.6
694.40039	2.8
725.42432	75.9
726.42841	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	725.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01268	0.3
57.03448	0.5
59.01383	6.3
61.98829	3.1
69.03451	1.3
71.01389	2.8
73.02950	1.0
75.49048	0.2
78.95888	0.4
83.05051	0.5
84.21163	0.3
85.02950	0.8
87.00848	0.8
89.02454	2.5
93.46416	0.3
95.01418	0.3
97.02985	0.5
97.06617	0.3
101.02448	3.0
109.06590	0.4
111.08157	4.1
113.02447	1.6
119.03511	0.5
123.08165	0.4
125.09702	0.4
127.07684	0.4
131.35040	0.3
141.09180	0.5
143.03503	0.4
149.24933	0.3
151.11279	0.7
153.09195	0.5
153.12863	1.2
161.04573	0.9
167.10782	1.0
169.12349	7.3
170.12625	0.5
171.10295	0.6
179.05647	0.4
179.10765	1.6
179.14455	1.0
181.12398	0.4
183.13869	0.3
189.42265	0.3
195.13892	2.8
197.11835	100.0
198.12151	5.3
199.13330	1.4
205.12321	2.9
207.13840	0.3
209.11838	0.4
211.13376	2.8
223.13394	26.0
224.13748	1.9
227.12816	0.6
235.08218	4.3
247.20667	0.4
253.09273	11.5
254.09677	0.6
263.20175	1.4
265.18021	0.5
290.04431	0.3
291.19681	10.4
292.20078	0.8
292.37616	0.3
293.21234	0.5
309.20724	27.8
310.21109	2.6
328.52069	0.3
356.21530	0.4
433.20804	3.2
441.21109	0.5
459.22455	3.3
460.22668	0.5
489.31973	0.4
527.28253	0.3
545.29742	0.5
647.34296	0.6
665.35168	0.6
704.94025	0.3
725.40759	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36472	0.8
61.98832	33.4
76.61516	0.9
78.95905	86.5
83.05002	1.3
96.96959	15.6
125.09689	1.7
134.98474	1.4
140.74316	1.0
150.09694	0.9
152.99576	24.7
167.48474	0.9
171.10268	70.7
172.10568	3.1
207.86292	1.0
209.11809	13.4
210.12045	1.3
215.71465	0.9
219.55325	1.0
223.00047	7.0
227.12813	2.0
239.65163	1.0
240.98737	1.7
241.01180	32.0
255.23283	66.9
256.23633	6.5
259.02130	2.3
279.23099	1.2
281.24738	7.1
282.24896	1.2
293.21085	3.7
297.03745	2.2
307.09351	2.1
363.58533	0.9
391.22482	8.2
529.50433	1.1
553.27502	6.9
669.73560	1.1
693.39655	2.4
725.38812	100.0
726.39221	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	725.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91409	1.2
53.10726	1.3
61.98835	9.7
65.55528	1.3
65.83035	1.1
69.61917	8.9
78.95903	66.3
83.05022	1.9
85.28386	1.3
87.72560	1.3
96.96973	13.7
98.19933	2.7
122.57135	1.4
125.09659	2.3
127.11288	2.1
152.99579	26.4
153.40999	1.5
165.12592	1.4
171.00652	1.6
171.10265	63.4
172.10577	2.7
181.03912	1.5
201.28197	1.4
209.11827	22.4
223.00038	4.7
227.12921	3.3
241.01199	28.9
255.23288	72.4
256.23569	6.4
259.02277	1.9
315.04868	1.6
363.17889	1.6
363.43866	1.7
391.22482	7.4
553.27374	4.8
625.49152	1.5
652.74109	1.9
693.39374	3.2
725.39038	100.0
726.39362	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	725.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.9
59.01379	1.1
60.99302	0.5
63.62564	0.3
67.01890	1.5
69.03429	0.4
71.01389	1.3
71.50946	0.6
81.03474	1.4
83.01390	3.9
83.05053	0.5
85.02955	2.7
87.00880	2.8
93.03458	9.3
93.51321	0.5
94.03822	0.7
95.05039	0.4
97.02956	0.7
109.02961	0.6
111.04514	1.3
115.72278	0.4
119.05019	3.4
121.69048	0.4
125.02449	100.0
126.02789	3.1
127.04019	0.5
129.01892	0.5
135.04419	0.4
135.81302	0.4
137.06081	0.7
139.04024	1.2
145.02933	0.7
146.80849	0.3
149.02446	13.3
149.03641	0.7
150.02640	0.4
155.03461	0.6
156.44675	0.4
161.04633	0.7
163.04013	3.9
167.03491	0.9
169.01379	0.8
171.03094	0.4
173.04544	4.8
179.03470	0.7
181.05173	0.5
191.05611	46.2
192.05952	1.8
219.09756	0.3
225.04036	7.3
226.04500	0.4
287.07739	12.3
287.10892	0.7
337.09244	11.0
338.09714	0.9
387.09348	8.5
387.16626	1.0
388.09531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91928	7.8
59.01380	74.9
61.98831	100.0
71.01378	18.3
74.86270	8.9
78.95904	12.5
82.83382	8.8
84.32748	8.0
89.02457	11.1
101.02430	12.7
125.02492	9.5
142.38548	8.2
163.11290	9.5
194.63780	7.4
207.10437	11.2
209.11824	92.0
211.13394	73.4
225.11334	11.6
227.12862	20.5
253.09299	8.7
348.16214	8.8
348.20355	11.5
447.22208	10.7
639.33606	8.5
662.37994	8.8
725.35065	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	13.2
59.77625	4.2
61.98824	44.2
64.18841	5.3
70.82172	9.9
71.01386	5.1
78.95896	9.6
85.02937	4.9
113.02454	4.9
166.75381	4.4
171.10164	12.2
197.11765	6.0
207.10324	6.8
209.11823	100.0
210.12166	11.7
211.13390	73.7
217.30913	4.4
225.11206	8.3
227.12918	25.2
235.08243	5.9
253.09401	7.0
274.33954	4.3
300.35260	4.3
326.74371	4.1
422.75613	4.6
437.87967	4.6
445.20514	11.5
447.22351	9.8
639.34491	7.2
725.35065	34.5
726.34619	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	725.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88365	0.3
55.01851	0.3
57.03437	0.6
58.00598	0.4
59.01110	0.5
59.01381	7.5
59.71525	0.3
61.98831	2.8
69.03452	1.8
70.98144	0.3
70.98515	0.7
71.01376	3.0
73.02953	0.8
75.00850	0.3
83.01386	0.7
83.05025	0.7
84.41574	0.3
85.02947	1.2
85.06609	0.3
87.00880	0.5
88.42797	0.3
89.02444	2.6
89.50356	0.3
92.80107	0.3
95.01368	0.4
96.68620	0.3
97.02930	0.8
97.06630	0.5
101.02435	3.0
102.84762	0.3
109.06571	0.5
111.08156	4.3
113.02454	1.8
119.03491	1.0
127.07648	0.8
137.09821	0.3
141.09265	0.5
151.11279	0.5
152.11685	0.3
153.09235	0.4
153.12886	1.8
161.04547	2.2
163.11366	0.4
165.12904	0.6
167.10780	1.0
169.12346	7.6
171.10214	0.8
179.05580	0.7
179.10764	1.2
179.14339	1.2
181.12317	0.6
183.13889	0.6
189.32616	0.3
195.13850	3.8
196.14299	0.4
197.11818	100.0
198.12148	5.5
199.13428	1.1
205.12317	3.7
209.11757	0.6
211.13385	3.6
213.11200	0.3
213.29793	0.3
223.13380	34.9
224.13705	2.9
227.12775	0.4
232.36909	0.3
235.08231	4.1
242.78407	0.3
253.09262	11.4
254.09601	0.5
259.25839	0.3
263.20111	1.2
265.18066	0.6
273.18628	0.4
291.19653	10.0
292.19943	1.3
293.21225	0.4
309.20691	26.6
310.21039	2.1
342.68582	0.4
411.25424	0.4
433.20792	4.0
441.21478	0.6
457.08841	0.4
459.22327	4.5
460.22940	0.5
527.28607	0.6
545.29608	0.3
599.99213	0.4
647.34424	0.7
665.35498	0.7
725.41211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.7
61.11788	0.3
61.98824	1.0
64.69627	0.3
71.01389	5.0
72.99306	0.4
73.02952	0.9
73.91998	0.3
78.95898	1.1
80.02689	0.9
81.03480	0.8
83.01383	0.9
83.05032	4.0
84.02171	0.5
85.02948	1.2
87.00883	0.8
89.02458	4.3
95.01434	0.5
95.05070	0.5
97.06590	0.5
101.02433	4.3
102.47275	0.3
109.06593	0.5
113.02430	2.4
113.09653	0.4
119.03477	1.1
125.02415	0.8
135.08197	0.8
138.49095	0.3
142.60432	0.4
147.11760	0.5
152.99608	0.5
161.04558	1.8
163.11275	3.9
165.12921	1.9
167.10715	0.9
167.14394	0.6
171.10229	0.5
173.85405	0.4
179.05608	1.1
181.12372	1.0
182.13060	0.5
183.13910	5.5
191.10800	0.9
193.12332	1.5
195.13887	4.2
196.14511	0.7
197.11865	0.5
205.12364	0.5
205.15953	0.4
207.10248	1.1
209.11829	83.0
210.12154	6.2
210.79953	0.4
211.13391	100.0
212.13730	7.0
223.13368	3.0
225.11368	1.1
226.11778	0.5
227.12898	8.6
228.13312	0.7
229.40532	0.4
231.92360	0.4
235.08238	4.1
253.09288	19.7
254.09686	1.1
259.20779	0.5
275.20139	4.5
276.20468	0.7
277.21719	42.0
278.22113	5.4
279.22342	1.0
293.21228	61.5
294.21539	5.8
445.20401	0.9
447.22449	5.2
448.22330	0.6
487.34149	0.8
529.30597	0.5
723.42780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66038	0.2
59.01377	3.1
69.71808	1.3
71.01388	2.0
73.02956	0.7
80.02677	1.3
81.03459	1.1
83.01391	0.4
83.05022	4.0
84.02177	0.7
85.02960	0.5
87.00883	0.5
89.02454	1.8
93.03539	0.2
95.05029	0.5
97.06614	0.3
101.02444	2.2
111.08162	0.3
113.02457	1.2
119.03516	0.4
125.06086	0.5
131.35046	0.2
135.08144	0.4
143.03552	0.2
159.13306	0.3
161.04544	0.7
163.11307	3.1
165.12860	2.1
179.05573	0.3
181.12434	0.4
184.37334	0.2
191.10803	0.9
199.13385	0.7
201.08629	0.2
207.10269	0.2
209.11832	100.0
210.12183	6.7
211.13525	0.3
225.11319	0.9
227.12900	11.7
228.13197	0.7
230.75945	0.2
235.08205	1.5
253.09288	9.0
254.09653	0.6
277.21729	51.2
278.22086	5.7
304.27612	0.3
445.20740	1.0
463.21796	0.4
483.77838	0.3
648.17676	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
59.01376	4.8
64.46708	0.3
71.01382	4.0
72.99300	0.5
73.02937	1.3
80.02683	1.1
81.03452	0.5
83.01383	0.9
83.05020	3.1
84.02170	0.5
85.02934	1.2
87.00869	1.2
89.02443	1.6
95.05029	0.5
97.02932	0.5
101.02439	3.1
113.02444	1.5
119.03518	0.6
135.08151	0.3
145.05031	1.0
161.04564	1.2
163.11308	2.5
165.12823	1.5
184.40572	0.3
191.10767	0.6
199.13332	0.3
209.11818	75.7
210.12169	5.5
227.12869	9.6
228.13312	0.8
233.35771	0.3
235.08221	6.3
253.09271	9.2
254.09596	0.8
259.20563	0.3
275.20145	0.4
277.21710	100.0
278.18961	0.5
278.22052	11.3
445.21014	0.5
482.09412	0.3
641.55756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	0.3
59.01379	4.4
69.03465	0.3
71.01387	3.5
71.05030	0.3
73.02939	0.6
78.95905	0.6
80.02677	1.3
80.70026	0.3
81.03465	1.2
83.01375	0.7
83.05022	5.3
84.02155	0.7
85.02907	0.5
87.00874	0.7
89.02453	1.9
95.01381	0.4
95.05048	0.5
98.20624	0.9
101.02442	2.7
109.06581	0.6
111.00935	0.3
113.02419	1.8
119.03535	0.6
125.06125	0.3
133.05093	0.3
135.08174	0.5
143.03506	0.4
145.04984	0.6
161.04520	1.4
163.11278	4.3
165.12856	2.2
179.05600	0.4
181.12329	0.7
191.10788	1.0
199.13383	0.4
207.10219	0.4
209.11816	100.0
210.12152	6.8
224.22876	0.3
224.25143	0.2
226.11575	0.3
227.12881	10.6
228.13196	0.9
229.07787	0.3
235.08185	3.7
253.09286	9.4
254.09586	0.6
259.20322	0.3
277.21713	82.7
277.71375	0.3
278.22079	9.5
342.48642	0.2
380.48947	0.3
445.20746	0.8
469.14737	0.3
705.36639	0.3
723.42249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84194	1.2
59.01379	11.4
59.49538	1.1
61.98829	21.0
69.28072	3.9
69.28487	7.5
71.01379	6.9
73.02945	2.1
81.03410	1.2
83.05035	3.6
83.45615	1.3
85.02939	2.8
87.00846	2.4
88.98804	1.6
89.02440	2.8
95.01425	1.4
96.96009	1.6
101.02468	2.8
109.02955	1.8
113.02446	2.6
121.03017	1.7
123.00874	2.6
125.02457	6.3
125.09753	1.9
137.02435	2.0
146.24620	1.4
151.03932	2.9
161.04541	1.6
163.11313	3.3
165.12874	1.7
168.00578	2.0
169.01352	7.3
169.12308	5.1
171.10312	7.4
183.02948	2.6
191.05641	1.3
199.09763	1.8
199.13402	2.6
201.11311	27.5
207.10254	1.4
209.11823	100.0
210.12160	6.9
225.11313	3.9
227.12857	12.6
235.08331	3.6
253.09238	7.5
282.86307	1.3
354.08417	1.3
445.20602	5.4
446.28455	1.5
633.30713	1.4
723.32489	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	723.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36173	0.7
50.86544	0.9
61.98835	1.1
66.55957	0.9
75.96059	0.8
78.95905	35.6
80.02667	2.0
81.03447	1.6
83.05026	5.7
84.02137	1.3
88.14166	0.8
96.96949	3.4
142.70085	0.9
150.97937	0.9
152.99586	44.3
163.11284	7.1
165.12819	2.8
171.00653	5.1
181.12263	1.3
191.10822	1.2
209.11819	100.0
210.12186	6.2
227.03178	2.5
227.12852	10.7
245.04221	1.4
253.21700	18.0
254.22064	1.8
257.90320	0.8
277.21945	0.9
363.12125	3.7
395.14743	2.1
437.15662	3.7
455.16977	8.9
487.19531	75.3
488.19781	7.4
617.69684	1.0
691.38477	6.5
692.38116	1.6
723.40857	56.8
724.41241	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	723.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.7
65.00311	0.9
67.01895	1.1
71.01379	2.1
72.99309	1.7
83.01373	1.2
87.00866	2.3
89.09339	0.7
95.01437	0.7
95.05013	3.0
101.01008	0.6
101.02419	0.9
110.00104	1.9
111.00885	9.3
111.17423	0.8
113.06083	5.2
123.00859	5.0
124.01652	4.8
125.02428	3.3
127.00397	3.8
136.98834	6.2
139.00366	11.4
140.01173	16.3
151.00366	8.2
152.07124	0.8
154.99895	0.8
161.04550	0.6
168.00645	25.3
169.01280	2.4
177.05594	1.5
191.03419	0.6
193.08775	0.9
203.07123	2.7
221.04500	3.6
221.08102	4.2
229.78166	0.7
231.49214	0.6
245.66896	0.6
265.07162	100.0
266.07452	7.3
353.19781	1.0
360.04880	0.6
413.21780	1.0
618.32324	0.8
649.25366	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.9
61.98833	100.0
64.85871	3.4
71.01382	23.3
78.95901	32.6
80.96526	4.6
89.02444	4.1
101.02501	4.6
101.18499	3.6
109.06587	10.3
115.33974	3.9
125.09718	5.1
134.97647	3.5
152.99583	16.0
169.01419	4.7
171.10242	14.5
195.10251	15.5
197.11845	14.7
201.11342	4.4
207.10265	22.7
208.78867	3.6
209.11812	14.5
211.13356	47.3
223.13393	4.4
223.69048	3.9
225.11298	17.0
229.60027	4.8
233.15465	3.8
251.12267	4.1
253.09282	13.7
289.18225	7.2
291.19717	5.2
309.20758	8.7
317.19562	4.2
327.96957	3.8
341.84912	3.5
447.21875	6.7
461.20041	5.4
619.30859	4.4
637.32037	29.4
638.31989	6.9
655.33240	30.1
723.38849	21.4
724.34424	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	721.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.4
59.01376	8.2
61.98820	1.7
70.23497	0.4
71.01376	4.4
72.99296	0.5
73.02949	1.7
81.03461	0.9
83.01385	1.0
83.05042	1.9
85.02932	1.8
87.00874	1.2
89.02448	2.2
93.03466	0.4
95.01389	0.6
97.02947	4.1
97.06651	0.4
98.19910	0.7
99.00879	1.0
101.02441	4.1
109.06590	14.6
110.03754	0.6
113.02464	1.8
119.03473	0.8
121.06632	1.1
123.04480	0.6
135.08163	1.5
136.05309	1.4
142.02695	1.2
145.05061	1.0
161.04509	1.4
161.09726	1.1
163.11288	10.6
164.11600	0.9
181.12350	2.4
189.09172	2.0
207.10252	52.6
208.10675	3.0
209.11877	1.8
225.11313	18.9
226.11740	1.4
235.08224	6.1
253.09274	10.7
254.09592	0.5
255.23233	0.8
277.21707	100.0
278.22037	10.1
281.13959	0.5
299.15079	0.5
316.70911	0.4
319.00284	0.4
406.03320	0.4
423.33234	0.4
441.33719	0.8
443.19250	3.5
461.20255	4.1
467.31793	0.7
684.09778	0.4
703.39752	0.7
704.21027	0.4
721.41626	23.4
722.41797	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	723.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.2
59.01365	2.4
61.86322	0.7
69.03479	1.0
69.98206	2.6
71.01395	1.1
73.50964	0.8
81.03452	2.2
83.01390	5.8
85.02943	1.9
93.03453	6.3
95.05029	2.6
96.96015	7.9
97.02955	3.9
107.05012	0.8
109.02950	22.1
116.03470	0.9
117.03485	0.8
119.05016	3.2
119.61215	0.8
121.02942	4.2
122.03704	1.3
123.00906	1.5
123.04521	17.0
125.01525	1.5
125.02452	28.0
126.02715	0.9
133.02939	1.4
135.04529	2.2
137.02440	16.0
139.03981	2.9
145.02977	2.0
146.03658	1.1
149.02504	5.6
149.06161	1.1
150.03180	1.6
151.04022	9.1
159.04489	3.2
160.05290	1.5
161.02448	6.4
161.06088	3.7
162.03192	1.7
163.00366	1.3
163.04062	5.6
164.01158	10.3
165.01976	4.8
167.03471	1.7
169.01411	3.5
175.04008	5.5
175.07533	1.1
177.01944	3.3
179.03494	5.5
183.02977	1.9
185.06010	1.9
187.04015	5.3
188.04784	3.5
189.01843	1.0
191.05638	3.1
197.06038	0.8
197.92667	0.9
201.05621	1.4
202.06448	1.1
203.03444	1.3
203.07162	10.7
204.07530	0.9
205.01398	2.7
205.05061	7.9
206.05334	0.9
209.06044	1.2
211.04149	1.1
212.04906	0.9
213.05586	1.4
221.08168	1.9
225.05626	1.6
227.03508	1.3
227.07092	3.3
228.04175	1.8
229.04994	2.5
231.03226	1.3
241.05188	0.9
243.03055	1.2
245.08208	12.4
247.06194	2.6
253.05064	21.1
254.05426	1.3
255.02931	3.5
255.06668	4.1
256.03720	1.3
257.04446	1.5
267.03101	1.2
267.06778	1.5
269.04599	1.8
270.05179	1.6
271.06192	7.4
273.07755	2.6
281.04526	1.5
285.03894	0.9
289.07181	100.0
290.07474	7.6
293.08130	2.0
295.06140	2.1
297.03955	0.9
300.99878	1.9
407.07736	15.2
408.08170	2.4
417.09814	3.1
419.07477	2.3
425.08609	2.3
433.11429	11.5
434.11362	0.8
435.10803	7.5
436.11179	2.0
499.14230	1.5
525.11932	14.1
526.12311	2.6
543.12762	5.2
544.13611	1.2
571.14288	2.6
597.16321	3.9
598.16138	1.0
723.19543	6.9
724.19666	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	721.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
57.03458	0.9
59.01379	10.8
59.11175	0.4
59.50325	0.4
59.73027	0.4
60.92727	0.4
61.98829	1.1
69.03442	0.6
71.01382	8.6
72.04559	0.4
73.02953	1.4
78.95898	0.6
80.02678	0.6
81.03470	1.2
82.87806	0.4
83.01391	1.0
83.05014	2.1
85.02945	1.4
87.00883	1.2
89.02440	5.5
95.01395	2.1
95.05033	4.9
97.02949	3.8
97.06607	0.5
99.00896	0.4
99.04536	0.9
100.62212	0.4
101.02438	5.5
106.04259	0.7
109.02926	0.5
109.06588	8.9
110.03700	2.4
111.04524	1.4
113.02451	4.0
119.03524	1.9
123.04501	0.6
125.02476	0.6
125.09776	1.0
135.08154	1.6
145.05031	0.5
149.09685	0.9
151.07631	0.5
151.11292	0.7
152.99623	0.5
153.09177	0.6
157.94821	0.4
161.04599	2.3
161.05785	0.4
161.09731	1.7
163.07675	0.5
163.11272	12.7
165.09319	0.6
167.10681	0.4
169.12303	1.0
177.09207	0.6
179.05566	1.9
179.10753	2.2
181.12338	2.5
189.09186	4.5
197.11790	1.7
207.10254	38.3
208.10643	2.3
209.11844	1.1
211.13408	0.5
225.11319	100.0
226.11662	7.1
227.12836	0.7
229.25784	0.5
235.08217	5.6
239.27916	0.4
253.09280	11.8
254.09747	0.7
255.23230	1.0
275.20215	1.3
277.21716	66.6
278.22076	7.0
292.91272	0.4
314.27567	0.4
319.85413	0.5
406.39600	0.4
410.61783	0.4
443.19250	8.1
444.19382	1.0
461.20255	18.5
462.20651	2.4
513.30682	0.8
721.41650	12.3
722.41949	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96242	0.5
53.10227	0.5
55.01887	0.5
59.01381	12.3
69.03434	0.7
69.48123	1.5
69.48544	2.2
71.01382	6.9
72.99310	0.7
73.02951	1.6
74.62611	0.6
78.15472	0.5
78.95894	0.5
80.02671	0.8
81.03452	2.2
83.01380	1.2
83.05022	3.7
85.02953	2.4
87.00874	1.5
89.02457	4.5
93.03446	0.9
95.05018	1.0
97.02959	7.5
97.06599	0.6
99.00880	2.0
101.02450	5.9
106.04275	0.6
107.05037	0.5
109.06589	34.9
110.03714	1.1
110.06903	1.0
111.04510	0.8
113.02464	3.3
119.03519	1.0
121.06589	1.8
123.04539	0.7
125.09719	0.7
133.06543	0.5
135.08122	4.0
136.05296	1.5
142.02705	1.8
145.10201	0.9
161.04535	2.2
161.09731	1.2
163.11285	19.6
164.11635	1.2
173.94557	0.5
179.05566	1.1
179.10793	1.2
181.12343	4.5
189.09138	3.6
207.10249	100.0
208.10603	5.4
209.11838	1.6
221.11842	0.6
225.11314	41.7
226.11607	2.8
235.08223	4.1
243.12213	0.7
253.09270	13.6
277.21707	98.6
278.22043	8.2
281.13940	0.9
299.14905	1.4
348.15536	0.6
423.32626	0.7
441.33597	1.8
443.19183	6.0
461.20251	13.8
462.20569	1.4
467.31509	0.7
477.99387	0.6
485.32578	1.2
559.36591	0.6
628.41162	0.7
703.41223	1.2
721.41669	33.1
722.42139	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	721.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.7
61.98831	58.9
62.93313	1.0
71.01382	13.8
71.12519	1.1
73.02946	2.1
78.53648	1.1
79.95731	1.3
80.02680	2.0
80.96516	7.5
83.01404	2.1
83.05017	7.1
84.02207	1.4
85.02964	1.8
87.00883	3.1
89.02454	3.4
91.54142	1.1
94.98143	1.1
95.01399	1.7
95.05068	1.7
99.00909	2.8
101.02435	8.0
101.03021	1.2
102.55634	1.0
113.02460	4.0
113.99164	1.1
119.03475	1.8
121.03011	1.4
125.02467	6.2
127.04013	2.7
137.02452	2.5
151.00433	1.2
153.12854	2.4
161.04552	2.5
163.11282	8.3
165.12894	1.8
169.01404	6.6
169.12292	2.1
171.10283	8.0
179.10741	1.4
181.12338	15.4
182.12605	1.3
185.11726	1.2
197.11810	12.3
198.12172	1.3
199.13405	69.4
200.13731	3.4
207.10265	3.4
209.11830	75.3
210.12178	6.5
215.12933	1.9
225.00772	1.7
225.11314	7.3
227.12936	6.1
243.12415	7.0
253.09340	4.9
276.99051	1.1
285.03989	1.2
434.08389	1.4
435.08411	1.4
479.21356	3.0
615.37305	1.8
659.36432	4.2
689.33820	100.0
690.34174	18.4
721.37134	55.6
722.37097	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	721.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00331	1.3
59.01376	9.6
61.98834	40.2
71.01385	79.2
71.05009	1.6
71.51776	2.0
72.01720	1.6
73.02960	4.3
78.95900	5.8
79.95756	2.0
80.96527	7.2
81.03455	4.1
83.01395	2.5
83.05042	6.0
85.02956	2.9
87.00881	2.6
89.02456	3.9
94.98075	2.6
95.01416	1.4
95.05069	1.8
96.95995	1.3
97.02985	4.3
97.06583	1.6
99.00896	4.0
99.42038	1.4
101.02451	6.7
105.07278	1.3
107.05033	1.7
109.06621	13.2
113.02460	3.2
122.21949	1.3
125.02475	1.5
125.09740	4.0
135.08177	2.4
155.10809	1.9
161.04636	1.6
163.11292	13.3
165.12842	2.4
169.01462	2.7
169.12273	1.7
171.10284	22.0
178.17094	1.5
181.12331	7.2
185.11813	5.1
191.10838	1.8
197.11884	5.2
199.13425	5.3
201.11368	5.5
207.10263	31.2
208.10521	2.4
209.11827	100.0
210.12152	6.9
211.13440	10.3
215.12894	6.2
223.13254	1.6
225.00940	2.1
225.11328	30.4
226.11650	3.8
227.12859	11.6
229.74806	1.5
230.44447	1.4
235.08136	2.6
243.12364	4.1
253.09268	11.2
291.12677	1.6
337.17493	1.5
399.21924	2.1
443.78464	1.5
461.20245	6.7
653.31689	2.0
671.32831	5.8
672.33411	3.3
689.33783	9.0
703.34644	2.0
715.85217	1.5
721.32581	12.9
722.33356	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	721.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40603	0.8
53.78911	0.7
59.01376	8.7
61.98829	23.1
62.96701	0.8
69.03462	1.2
71.01378	47.2
72.99289	0.8
73.02948	2.0
78.95909	4.8
80.02668	1.3
81.03448	1.5
83.01357	0.8
83.05029	5.3
85.02945	2.0
87.00867	2.1
89.02444	5.3
95.05022	0.9
97.02953	2.1
97.06590	0.7
98.20669	1.5
99.00871	2.0
101.02443	5.3
109.06590	4.6
110.06929	0.7
113.02410	3.4
119.03494	1.6
125.02402	1.4
125.09708	1.2
135.08138	1.1
143.03534	0.7
152.99606	2.0
161.04555	1.4
163.11285	6.3
165.12794	2.1
166.71500	0.6
171.10265	6.7
172.40237	0.6
181.12344	2.6
183.13968	0.9
185.11838	1.5
191.10825	1.1
195.13881	2.9
199.13347	1.7
201.11238	1.4
207.10254	13.6
208.10571	1.4
209.11815	100.0
210.12123	6.8
211.13330	5.0
223.13342	1.9
225.11304	10.9
226.11578	1.1
227.12941	3.8
235.08311	3.7
235.22733	0.7
243.12273	1.0
253.09283	12.5
254.09673	0.9
255.23256	2.5
275.20148	3.5
277.21729	9.9
291.19745	1.8
293.21222	30.2
294.21490	2.8
397.13498	9.8
398.14017	1.3
399.21597	1.2
415.14386	4.4
417.23160	1.2
433.10382	0.6
461.20023	3.1
479.21582	0.9
636.09497	0.7
671.32770	2.0
672.33685	1.1
689.34088	6.8
690.34180	1.1
721.37750	3.9
721.50140	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.3
61.98830	22.5
69.85237	2.5
69.85638	4.9
71.01386	57.2
73.02947	2.9
78.95930	2.0
80.02687	1.7
80.96526	3.0
81.03458	4.0
83.05019	9.3
84.02139	2.0
85.02954	2.0
87.98257	1.5
89.02435	3.9
95.05016	2.5
97.02956	2.6
99.00878	3.6
101.02431	6.6
101.65457	1.6
104.54803	1.5
104.94642	1.4
109.06597	10.7
110.06963	1.8
113.02478	1.7
113.85473	1.5
125.02461	2.7
125.09698	3.8
127.11281	2.9
135.08154	2.4
148.26048	1.8
161.04565	1.8
163.11258	12.5
165.12923	2.9
169.12378	2.1
171.10243	18.0
179.43710	1.4
181.12326	7.2
185.11925	2.2
191.03458	1.6
197.11905	2.3
199.13364	4.5
201.11378	7.7
207.10265	27.3
208.10638	2.8
209.11842	100.0
210.12210	13.0
211.13460	1.6
215.12816	2.0
216.10231	1.6
225.00800	1.7
225.11330	36.4
227.12816	11.9
228.13268	2.0
235.08237	3.0
243.12279	3.6
253.09285	8.2
268.18915	2.0
273.17010	8.9
274.17499	8.6
275.17542	2.0
461.20221	5.9
593.34949	1.7
635.30945	2.6
671.32648	5.9
689.34186	12.2
690.34515	1.7
721.37665	14.2
722.37054	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	721.366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01391	8.4
59.25565	1.5
61.98830	42.8
65.17840	1.8
70.26784	6.8
71.01382	100.0
73.02954	3.3
77.66200	1.9
81.03474	2.8
83.05009	8.0
85.02908	1.9
87.00884	2.0
89.02428	3.1
97.02951	3.9
99.00853	3.0
101.02441	5.3
105.71126	1.6
109.06583	10.8
113.02423	3.4
119.03411	2.0
125.09732	2.6
127.11263	2.0
133.18668	2.0
135.08139	2.1
155.61331	1.6
157.38808	1.7
163.11310	14.6
164.11610	1.7
165.12817	2.6
169.01422	3.4
171.10263	18.1
181.12321	5.5
185.11855	1.7
197.11850	2.6
199.13422	8.8
201.11278	7.0
207.10265	30.7
208.10606	3.6
209.11823	85.7
210.12157	7.2
211.13414	2.0
225.00558	2.0
225.11340	26.5
226.11565	2.3
227.12909	11.0
243.12286	5.1
253.09306	9.2
360.85291	1.6
461.20181	6.7
600.85223	2.1
671.32996	4.3
689.33905	14.3
690.33771	2.8
721.36664	11.0
722.36658	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	721.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.0
61.98832	100.0
62.98524	1.1
63.99259	1.0
69.03465	1.1
71.01384	13.5
71.50277	0.9
71.50636	0.7
73.02943	0.8
78.91885	0.7
78.95913	3.5
79.18528	0.7
80.96527	1.1
81.03471	1.0
83.05026	1.6
87.00874	1.1
89.02456	2.5
97.02988	2.1
99.00891	0.9
101.02461	2.7
107.46533	0.7
109.06596	9.4
113.02459	1.5
119.03579	0.9
121.06590	0.7
125.02472	1.2
125.09689	0.9
135.08157	1.5
143.08289	0.8
152.99594	1.4
161.04541	1.3
163.11324	6.1
167.10786	1.3
171.10286	2.4
181.12347	2.2
185.11844	0.8
195.13931	2.6
197.11847	1.2
199.09723	1.1
199.13417	1.5
205.12408	2.9
207.10258	28.6
208.10562	2.0
209.11833	8.6
211.13469	3.0
223.13390	29.3
224.13808	2.2
225.11339	17.4
226.11612	1.2
227.12955	2.0
227.94974	0.6
235.08307	2.3
243.12422	0.8
253.09363	5.9
255.23347	1.3
325.75607	0.7
351.23434	0.8
395.22363	1.2
413.23511	3.0
431.24301	1.5
443.18726	0.9
461.20215	6.4
601.11047	0.8
649.32501	2.6
650.32452	0.9
667.33392	5.1
668.34479	2.1
721.32349	0.9
722.32129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42973	0.8
57.03432	1.0
57.46995	0.9
59.01384	4.4
59.90201	0.9
61.98829	84.1
63.96219	1.5
69.03436	1.2
71.01382	16.4
72.00969	0.8
73.02934	2.9
78.95885	3.4
78.98591	7.0
79.95292	1.2
79.95734	15.5
80.96516	79.9
81.03448	1.8
83.05025	1.2
85.02985	4.1
87.00877	5.8
88.88895	0.8
88.98790	2.0
89.02425	1.4
94.98087	15.4
96.95990	1.1
97.02924	1.7
98.19884	2.3
99.00860	2.2
101.02430	4.5
106.59896	0.8
106.98065	3.6
109.06559	2.0
122.97552	3.4
125.02435	5.2
127.04041	1.3
134.97580	6.4
136.99052	1.7
148.99129	6.1
152.98616	6.0
163.11279	1.1
164.75468	0.9
164.98624	12.2
167.80988	0.8
168.60710	1.0
169.01387	3.4
169.12352	1.5
171.10257	5.0
173.07823	0.8
197.11807	3.8
199.13263	1.0
206.99606	2.9
207.10223	3.5
208.10487	0.9
209.10197	1.3
209.11844	14.8
210.12025	1.6
211.13402	5.7
215.12927	1.7
221.11700	1.8
225.00739	19.5
225.11302	3.6
227.12782	2.7
229.04587	1.0
239.12881	1.3
243.12189	0.9
253.09186	1.7
493.17560	2.0
509.17035	1.2
671.32916	2.3
689.32916	1.9
703.35986	1.3
721.30963	100.0
722.31342	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	721.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42973	0.8
57.03432	1.0
57.46995	0.9
59.01384	4.4
59.90201	0.9
61.98829	84.1
63.96219	1.5
69.03436	1.2
71.01382	16.4
72.00969	0.8
73.02934	2.9
78.95885	3.4
78.98591	7.0
79.95292	1.2
79.95734	15.5
80.96516	79.9
81.03448	1.8
83.05025	1.2
85.02985	4.1
87.00877	5.8
88.88895	0.8
88.98790	2.0
89.02425	1.4
94.98087	15.4
96.95990	1.1
97.02924	1.7
98.19884	2.3
99.00860	2.2
101.02430	4.5
106.59896	0.8
106.98065	3.6
109.06559	2.0
122.97552	3.4
125.02435	5.2
127.04041	1.3
134.97580	6.4
136.99052	1.7
148.99129	6.1
152.98616	6.0
163.11279	1.1
164.75468	0.9
164.98624	12.2
167.80988	0.8
168.60710	1.0
169.01387	3.4
169.12352	1.5
171.10257	5.0
173.07823	0.8
197.11807	3.8
199.13263	1.0
206.99606	2.9
207.10223	3.5
208.10487	0.9
209.10197	1.3
209.11844	14.8
210.12025	1.6
211.13402	5.7
215.12927	1.7
221.11700	1.8
225.00739	19.5
225.11302	3.6
227.12782	2.7
229.04587	1.0
239.12881	1.3
243.12189	0.9
253.09186	1.7
493.17560	2.0
509.17035	1.2
671.32916	2.3
689.32916	1.9
703.35986	1.3
721.30963	100.0
722.31342	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	719.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58120	0.4
57.03427	0.4
59.01384	3.3
59.48830	0.4
59.85035	0.3
61.98833	57.8
67.02406	0.3
67.16395	0.3
69.03457	0.4
69.89825	1.9
71.01388	4.3
72.99318	0.5
73.02946	0.7
80.02689	1.3
80.96535	0.5
81.03465	1.8
83.01393	2.8
83.05026	4.0
84.02151	1.8
85.02959	1.2
87.00910	0.8
88.02174	0.3
89.02452	2.4
95.05032	1.1
96.95984	0.5
97.02987	1.0
97.06581	0.7
99.00919	0.5
99.04614	0.4
101.02451	3.1
113.02466	1.5
117.89565	0.3
119.03507	1.1
125.02433	1.0
125.06067	0.5
125.09712	2.2
127.11374	0.6
135.08150	0.7
161.04529	1.1
163.11307	4.8
165.01257	0.4
165.12816	2.5
169.01491	0.8
169.12335	1.5
169.39894	0.4
171.10291	2.7
179.05585	0.6
181.12393	1.1
190.40343	0.4
191.10808	2.1
197.11891	1.8
199.13332	0.7
207.10265	1.2
209.11824	100.0
210.12164	5.7
211.13368	0.9
213.11334	0.5
223.09593	0.4
223.13326	0.5
225.11385	0.7
226.11990	0.9
227.12889	10.3
228.13222	0.7
235.08269	2.6
239.12759	0.4
241.14394	1.5
243.16006	0.7
253.06699	0.6
253.09299	10.7
254.09567	0.6
273.17068	82.2
274.17407	5.2
445.20593	0.8
465.28711	2.5
479.24487	0.5
483.29294	1.0
499.45071	0.5
509.25830	1.2
659.33392	0.5
687.32538	2.2
688.32373	0.5
719.33893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39319	0.1
61.98829	100.0
62.98529	0.1
65.86217	0.1
67.51621	0.1
75.49548	0.1
77.71610	0.1
95.70119	0.1
96.51614	0.1
124.65133	0.1
133.28502	0.1
209.11967	0.2
211.13533	0.2
354.14908	0.1
476.43277	0.1
622.73566	0.1
627.19965	0.1
671.54651	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	721.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57077	0.9
58.21776	0.9
58.96533	0.9
59.01373	10.7
61.98822	11.3
67.01868	0.9
69.03444	0.9
69.82070	4.8
70.15636	1.1
71.01382	6.0
72.99288	0.8
74.93694	0.8
74.96465	0.8
80.96526	1.4
81.03468	0.9
83.01384	1.3
83.05003	0.9
87.00877	1.1
89.02412	2.6
94.64960	1.0
95.01363	1.6
96.96014	2.6
101.02425	3.2
107.01381	5.2
110.00074	1.5
111.00889	5.3
111.49002	0.8
111.74613	0.9
113.02412	1.9
120.86623	0.8
123.00911	5.5
124.01628	4.5
125.02447	39.7
127.00378	1.5
136.98779	2.0
139.00400	6.7
140.01169	10.0
141.01723	1.1
151.00372	5.9
154.02254	0.9
163.11273	1.0
165.01878	2.6
166.99832	1.9
167.03471	2.0
167.99257	0.9
168.00645	26.4
169.01422	48.4
170.01729	2.3
171.10263	7.4
181.01344	2.9
183.02919	2.2
185.11632	1.0
195.02910	1.6
197.11769	2.8
201.11241	1.5
204.91531	1.0
207.10155	1.5
209.11809	9.0
211.02473	82.3
212.02722	3.6
225.11227	4.0
227.12888	1.8
235.08194	1.3
236.08661	1.2
237.14699	1.1
241.03520	1.4
271.04578	100.0
272.04840	6.4
290.11566	8.2
331.06671	25.4
332.07031	1.5
334.06863	1.0
345.17020	14.8
350.68500	0.9
371.15143	5.4
389.16043	34.9
390.16306	4.1
461.19876	0.9
568.24109	1.2
569.22089	16.8
570.22925	2.3
685.30280	1.4
703.31189	3.3
721.23218	60.1
722.23969	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	721.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31086	0.8
57.03445	1.1
58.00600	0.9
59.01381	100.0
65.46400	0.9
67.90939	0.8
71.01379	11.5
71.51984	1.1
72.99302	2.9
73.02932	3.9
74.65115	0.8
83.01353	2.0
85.02946	4.4
87.00860	1.4
89.02456	6.1
91.94810	0.8
96.96008	1.2
99.00870	1.8
101.02431	7.5
104.46376	0.8
111.08154	0.8
113.02441	4.9
117.01919	2.6
119.03488	1.0
125.02425	3.5
125.06016	1.9
138.35814	0.8
139.07527	1.0
142.99840	4.5
143.00793	0.9
143.03459	1.1
144.56883	0.9
151.00453	1.3
153.05518	2.6
161.04576	6.0
167.07021	0.9
169.01411	2.9
171.06587	1.1
173.00861	1.3
174.01675	1.9
179.05684	1.1
183.02925	2.7
193.05011	1.6
195.13873	0.9
225.07620	1.8
313.16473	2.5
331.17654	13.7
356.01895	0.9
373.18674	26.5
374.18976	2.4
395.07709	1.4
407.48816	0.9
721.21814	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	719.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.5
59.01380	9.1
59.45930	1.0
61.98830	100.0
68.39333	1.0
69.03432	1.1
69.29166	9.9
71.01006	2.2
71.01380	28.7
72.99321	2.0
75.00868	9.4
78.95917	1.5
79.95737	2.9
80.96507	4.5
81.03461	1.8
82.81193	1.1
83.01369	3.0
83.05041	5.1
85.02956	2.2
87.00887	1.5
89.02460	3.8
95.05042	1.1
95.37276	0.9
96.35282	1.2
96.96045	1.1
97.02962	4.5
97.06587	1.3
99.00887	4.1
101.02448	5.6
109.06595	10.1
111.04530	3.1
113.02440	4.1
119.03531	1.2
123.08160	1.4
125.02449	2.8
125.09719	3.0
134.92911	1.0
135.08177	2.4
145.05002	1.2
151.11298	1.6
153.09232	1.2
159.10229	1.4
161.04564	1.4
161.09761	2.7
163.11302	10.6
164.11612	1.1
165.12779	1.6
169.01434	1.8
169.12260	2.6
171.10260	17.3
172.10623	3.3
179.10757	3.9
180.11131	1.1
181.12352	3.9
185.11813	2.3
197.11761	6.5
199.13452	3.9
205.08716	8.7
207.10272	26.7
208.10561	1.6
209.11819	75.3
210.12126	4.8
211.13402	2.4
213.11360	3.2
223.09709	14.3
225.11308	19.9
227.12914	10.2
235.08194	2.2
241.10739	1.2
243.12442	1.7
253.09291	9.9
273.17062	30.9
274.17395	4.0
327.21750	2.0
329.22382	1.2
340.73645	1.2
341.23550	1.3
415.21454	2.0
431.95911	1.1
459.18658	4.4
461.20383	4.5
648.63196	1.3
651.30432	3.3
659.33032	2.6
669.31311	5.9
670.31519	2.1
687.32355	9.9
688.33276	2.3
719.35645	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	719.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01386	11.0
59.29659	1.0
61.98829	15.1
67.89613	0.9
69.03452	2.0
69.73050	6.0
71.01376	12.5
73.02945	1.6
73.71326	0.9
75.75251	0.9
79.95726	1.4
80.02677	2.8
80.96513	6.3
81.03463	2.4
83.01368	2.3
83.05032	9.0
84.02151	1.6
85.02948	3.6
87.00879	2.9
88.98827	1.1
89.02446	5.5
94.98117	1.5
96.96008	1.7
97.06615	1.3
101.02448	7.7
107.01412	1.1
107.43713	1.1
113.02436	4.0
119.03484	1.7
123.00870	2.4
125.02471	10.8
131.47731	1.0
139.00365	2.1
140.01155	2.0
149.04547	1.0
151.00392	3.0
151.11244	2.8
153.12846	1.9
161.04472	2.6
163.11288	6.9
164.98563	1.3
165.12872	3.5
168.00691	2.9
169.01430	11.0
169.12349	46.5
170.12669	2.3
171.10263	3.0
171.24858	1.0
173.76941	0.9
179.10727	1.4
191.10774	2.1
197.11833	84.2
198.12180	5.6
209.11826	100.0
210.12161	7.1
215.12854	1.5
223.09804	2.1
225.00662	2.1
227.12837	8.4
235.08127	1.9
253.09294	9.3
271.78891	1.0
313.05783	1.1
335.18668	6.9
497.23825	4.4
567.24615	8.6
669.30981	1.2
687.32281	84.0
688.32745	19.3
719.35675	62.2
720.36127	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	719.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.5
61.51588	3.7
66.46087	3.5
69.24528	4.0
71.01372	8.2
79.08996	3.5
89.02442	10.6
106.86343	4.1
119.03595	4.5
119.42081	4.1
139.75578	3.4
148.06033	3.8
179.05623	5.0
192.03287	4.3
222.76865	3.9
293.75888	4.0
312.00534	3.7
341.10962	28.4
377.08527	100.0
378.08868	6.8
469.80939	4.0
534.48798	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	719.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23795	4.9
58.95451	5.5
59.01378	6.6
60.29635	4.9
66.17342	5.1
67.14590	4.7
69.54861	33.4
69.74837	5.5
71.01389	5.5
77.43048	5.1
79.49795	5.2
89.02428	7.6
94.09516	4.8
94.18661	5.6
101.26180	5.2
341.10867	20.1
377.08533	100.0
378.09000	7.8
491.93967	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51852	0.4
54.10583	0.4
59.01379	55.4
60.01728	0.6
69.03449	0.6
69.90067	2.0
71.01384	12.7
71.17437	0.4
73.02947	15.7
81.03484	0.5
83.01387	4.3
85.02959	1.8
89.02438	4.5
95.01383	0.6
101.02441	14.1
108.02174	0.9
109.02952	1.2
113.02448	5.7
119.03475	2.6
122.03743	7.2
124.01653	0.9
125.02447	1.2
131.03487	1.6
135.04538	6.1
136.01651	2.0
143.03503	2.1
147.08092	0.6
149.04578	3.3
150.45663	0.5
161.04570	5.3
163.07599	1.2
165.09210	35.1
166.09497	2.2
169.01393	0.7
189.05551	0.8
190.68460	0.4
191.07133	47.2
192.07510	3.2
203.05476	0.8
209.08182	100.0
210.08522	6.3
221.06682	1.7
253.82405	0.5
269.55447	0.5
303.14389	0.6
336.67752	0.5
365.44223	0.6
371.13452	51.7
372.13788	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	719.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05870	0.7
55.01877	0.8
57.03442	1.2
57.18044	0.7
58.07899	0.6
59.01382	7.1
61.98832	73.0
66.47609	0.7
69.03464	5.8
71.01384	7.6
71.05012	1.7
73.02939	1.2
79.95762	1.0
80.02683	1.6
80.96520	5.2
81.03451	2.7
83.01389	1.4
83.05028	6.1
84.02163	1.6
85.02940	2.1
87.00867	1.8
89.02444	4.0
93.03438	3.4
95.01379	1.3
95.05027	0.9
97.02941	1.1
97.06602	0.8
98.19900	2.5
99.00884	1.2
100.53144	0.7
101.02457	5.6
107.01364	0.9
113.02406	2.9
123.00893	2.3
123.08234	1.6
125.02454	4.5
125.09715	2.4
135.08136	1.3
137.02469	6.5
137.07539	0.7
139.00366	0.7
151.00354	1.4
151.11287	2.0
153.12845	1.1
155.10834	0.8
161.04544	1.6
161.09756	4.1
163.11256	4.5
165.12836	3.3
168.00604	1.4
169.01463	5.4
169.12314	0.8
171.10269	2.1
179.10788	8.5
180.11171	1.1
181.12424	0.9
191.10777	1.2
197.11827	51.2
198.12187	2.5
198.80637	0.8
207.10164	1.4
209.11827	80.9
210.12106	7.0
211.13408	1.0
223.09724	2.2
225.00711	1.9
225.11330	1.7
227.12883	7.5
229.21956	0.9
241.10791	2.8
253.09274	3.8
273.16992	1.4
285.04050	4.0
313.05515	0.9
414.15027	0.7
433.07739	4.8
477.19586	1.4
567.24719	1.7
569.98126	0.9
656.33594	2.1
657.34735	1.8
669.30255	0.9
687.32343	100.0
688.32678	20.5
719.35779	21.5
720.36316	4.2
726.75037	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.3
59.01375	1.4
59.01617	0.2
61.98833	1.9
63.02405	1.2
65.00318	1.2
67.01894	0.6
69.03461	0.7
71.01383	3.6
71.52691	0.3
72.99312	0.7
73.02952	0.9
79.01905	0.6
81.03445	0.3
83.01389	2.0
83.05029	0.3
85.02929	1.8
87.00881	0.3
88.98814	0.3
89.02476	0.6
91.01852	0.3
93.03461	9.6
95.01395	1.2
96.95989	0.6
97.02975	0.8
101.02449	1.8
107.01387	4.6
108.02150	0.4
109.02969	1.0
110.00053	0.4
111.00881	1.5
113.02464	1.8
117.03466	0.4
121.02983	0.8
123.00892	5.8
123.04538	0.6
124.01631	1.0
125.02450	14.3
126.02782	0.4
126.43058	0.3
127.00348	0.4
131.03532	0.4
131.05038	0.3
133.02953	0.4
135.00880	0.8
135.04507	0.7
136.98798	0.6
137.02446	19.8
138.02773	0.8
139.00398	1.8
139.03969	0.3
140.01183	2.0
141.01915	0.4
141.07074	0.3
143.03387	0.2
143.05045	0.9
145.02940	0.7
147.04495	0.3
149.02448	0.5
151.00363	6.6
151.04042	0.3
153.01918	0.7
154.04262	0.3
155.05040	0.3
157.06586	0.7
159.04526	1.0
161.02423	0.6
163.00359	1.4
163.03979	0.5
163.11258	0.5
164.01143	0.6
165.01920	0.8
165.09164	0.4
166.99854	0.6
167.03552	0.6
167.05040	0.4
168.00636	3.0
169.01427	21.1
169.06573	0.6
170.01764	0.7
171.04558	0.9
173.02473	0.4
173.06100	0.3
177.01860	0.3
179.03551	1.2
179.68584	0.3
185.06104	2.0
187.04015	1.8
189.05583	0.7
191.03441	0.7
192.00597	0.3
193.01428	1.7
195.04628	0.3
196.05180	0.2
197.06088	0.4
199.04045	0.4
201.05632	0.4
207.02994	0.5
209.04630	0.6
209.11832	8.3
211.02452	2.8
211.04103	0.9
212.04697	0.4
213.05521	1.8
214.02707	0.2
215.03502	0.4
219.02795	0.3
223.02467	0.6
227.03612	1.8
227.12857	4.1
229.05057	5.2
230.05304	0.6
239.03551	1.5
240.04118	0.4
241.05023	1.1
243.02911	0.4
248.21208	0.3
249.14874	0.4
255.03001	2.1
256.03696	0.6
257.04575	3.7
258.04810	0.3
263.05490	0.4
265.07166	0.3
267.02899	0.3
271.04608	0.7
281.06699	2.7
284.03268	2.2
285.04044	100.0
286.04385	7.1
295.04590	1.9
313.05640	3.4
327.21567	0.4
328.22256	0.3
433.07727	49.2
434.08139	5.3
557.28973	0.3
567.11456	3.2
567.24353	8.6
568.11829	0.6
568.24750	1.0
675.27692	0.3
719.12262	0.6
719.26056	2.6
720.25220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
60.19706	0.1
61.98832	100.0
62.98564	0.1
69.03445	0.1
71.01413	0.2
78.95907	0.3
89.99955	0.1
98.19930	0.3
100.09045	0.1
171.10352	0.2
197.11760	0.3
199.13434	0.2
202.57388	0.1
207.10350	0.2
209.11871	0.4
211.13394	0.7
225.11153	0.2
227.12962	0.4
230.51862	0.1
273.17273	0.3
276.77673	0.1
311.22302	0.2
563.90491	0.2
589.08331	0.2
684.21204	0.2
718.39349	0.4
719.39001	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68569	0.1
55.77576	0.1
61.98831	100.0
71.01380	0.1
73.41048	0.1
78.95937	0.3
98.20660	0.4
98.52423	0.1
108.77017	0.1
112.11877	0.1
124.76788	0.1
174.89330	0.1
183.63219	0.1
197.11887	0.4
199.13400	0.2
207.10292	0.2
209.11906	0.5
211.13448	1.1
227.13000	0.5
253.09297	0.1
273.17194	0.4
293.21103	0.2
337.16116	0.2
345.37207	0.2
359.05328	0.1
619.37915	0.2
718.39288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.3
59.01374	1.5
61.98825	2.3
63.02391	1.3
65.00329	1.0
67.01873	0.7
71.01389	3.0
73.02953	0.6
79.01888	0.5
81.03414	0.3
83.01376	1.9
83.05029	0.3
85.02939	1.4
87.00858	0.4
88.98798	0.4
89.02444	0.6
93.03459	10.0
95.01355	1.5
96.95986	0.4
97.02949	0.6
101.02463	2.1
107.01398	4.2
108.02150	0.4
109.02943	1.5
111.00871	1.2
113.02449	1.9
117.03483	0.3
121.02959	0.6
123.00887	5.5
123.04501	0.5
124.01656	0.7
125.02449	16.0
127.00354	0.4
131.04977	0.5
135.00885	1.0
136.01576	0.4
136.98827	0.8
137.02448	19.2
138.02782	0.5
139.00372	2.0
139.03996	0.4
140.01170	1.8
141.01921	0.5
143.04980	0.6
145.02933	0.9
145.06541	0.4
147.00935	0.3
147.04535	0.5
149.02429	0.4
149.04510	0.3
151.00374	6.9
151.03897	0.4
153.01935	0.8
154.04213	0.4
155.05005	0.4
156.05734	0.4
157.06541	0.8
159.04532	0.9
161.02438	0.4
163.00380	1.1
163.04160	0.3
163.11267	0.4
164.01144	0.4
165.01927	1.1
165.09125	0.4
166.99835	1.0
167.03444	0.7
167.04955	0.5
168.00629	3.0
169.01424	19.3
169.06577	0.6
170.01741	0.8
171.04503	0.8
173.02371	0.3
173.06050	0.4
175.03984	0.4
179.03497	1.1
182.03661	0.4
183.03006	0.3
183.04515	0.5
185.06065	2.4
187.04030	2.2
189.05548	0.6
191.03502	0.7
193.01396	1.5
197.05989	0.5
199.03925	0.3
201.68326	0.3
209.09897	0.6
209.11841	9.0
211.02454	2.8
211.04085	1.0
213.05557	1.8
214.02731	0.6
227.03587	1.8
227.12878	4.5
229.05035	4.8
233.04564	0.5
239.03442	0.8
240.04344	0.5
241.05173	0.5
255.02895	2.0
256.03705	0.6
257.04584	4.0
267.02945	0.3
281.06699	2.7
284.03314	2.2
285.04034	100.0
286.04391	7.5
295.04605	2.0
313.05652	3.2
433.07739	49.5
434.08041	5.7
567.11737	2.7
567.24469	8.4
568.11810	0.6
568.24847	0.6
718.33618	0.5
719.24280	3.0
720.25745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94535	0.1
59.01379	0.4
61.98830	100.0
62.98533	0.3
70.82470	0.3
71.01384	0.5
78.95928	0.2
81.03498	0.2
83.01439	0.2
83.05032	0.3
85.02963	0.1
88.98835	0.3
101.02432	0.4
106.58533	0.1
109.06627	0.2
115.78414	0.1
120.36034	0.1
125.02447	0.3
125.09743	0.1
163.11330	0.2
169.01338	0.3
169.12430	0.3
171.10265	0.8
172.10689	0.1
194.78786	0.1
207.10269	0.3
209.11833	3.2
211.13416	0.3
223.09805	0.2
227.12971	0.5
235.08246	0.2
248.53868	0.1
253.09332	0.5
273.17056	2.7
328.22287	0.2
494.61664	0.1
650.91034	0.2
655.34198	0.2
687.32300	0.4
719.34460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.5
61.98831	100.0
63.20055	0.2
63.74911	0.1
67.41006	0.2
67.84193	0.2
68.96697	0.2
69.03491	0.2
70.87927	0.2
71.01385	0.7
78.95919	0.2
79.95743	0.4
80.96523	0.3
83.01407	0.2
85.02961	0.4
87.00865	0.2
87.11092	0.1
89.02452	0.2
100.89713	0.2
101.02477	0.4
113.02463	0.3
125.02449	0.3
127.11291	0.2
127.61684	0.2
163.11403	0.3
167.43619	0.2
169.01512	0.2
170.36584	0.2
171.10275	5.6
171.11685	0.4
172.10600	1.2
181.12346	0.2
183.02797	0.2
192.59615	0.2
197.11937	0.2
200.68393	0.2
205.08730	0.2
207.10347	0.5
209.11841	2.2
210.12180	0.2
211.13409	0.5
212.13849	0.3
221.11938	0.3
225.00893	0.2
225.11302	0.6
227.12912	0.5
229.14507	0.4
235.08287	0.6
239.12700	0.2
253.09235	1.1
254.09679	0.3
273.17114	1.4
291.19937	0.2
309.20828	0.4
310.21094	0.2
327.21783	2.2
328.22021	0.9
404.91272	0.2
407.19128	0.2
461.20294	0.2
687.32123	0.3
718.38068	0.3
719.31256	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48613	0.1
59.01379	0.2
61.98833	100.0
62.99281	0.2
78.95914	0.4
82.71947	0.2
90.45103	0.2
98.19852	0.4
98.59455	0.2
105.08169	0.2
125.02435	0.3
169.01503	0.3
182.14807	0.2
209.11958	0.3
255.23544	0.3
260.47000	0.2
277.21738	0.2
322.00751	0.2
378.42996	0.2
397.13464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01721	1.8
61.98835	8.4
64.92845	0.9
71.50659	1.5
78.95914	1.9
115.17551	1.0
125.02461	1.5
169.01392	1.2
171.10223	1.3
209.11829	4.3
255.23247	1.0
277.21732	3.9
278.21890	2.1
453.11826	1.6
457.18961	2.7
459.16418	2.6
467.13470	1.5
480.14450	1.7
481.10730	1.7
495.16635	3.1
496.13785	17.4
497.14493	9.4
498.15036	2.6
510.15399	4.0
511.16071	10.2
512.17505	4.5
513.17682	4.1
530.14551	1.5
538.14612	1.0
539.19501	3.0
544.15656	5.3
545.16541	4.2
551.15869	1.6
567.19037	11.8
568.19043	4.6
570.17688	2.8
571.18243	15.6
572.18817	3.6
583.18872	2.2
588.06531	1.4
589.19495	2.9
597.20026	2.8
598.20160	4.5
599.21478	40.0
600.21698	11.6
602.16724	2.8
630.19501	2.6
631.20490	1.2
657.22064	20.8
658.22235	6.1
717.24164	84.1
718.24377	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62648	1.0
59.01374	4.4
61.98828	4.3
70.55946	3.6
71.01372	5.4
71.05026	2.8
73.02956	1.5
78.95902	2.0
87.00878	1.7
89.02449	1.4
97.02978	2.9
97.06570	1.6
99.00872	11.7
101.02442	3.7
109.06602	1.3
113.02421	1.6
123.08190	1.6
125.09714	5.3
127.30900	1.2
145.05124	1.2
161.04597	2.0
163.11299	6.4
171.10318	6.1
181.12361	8.9
182.92125	1.2
199.13396	10.3
207.10246	18.8
225.11299	32.7
225.83650	1.1
226.11736	2.7
235.08136	2.4
243.12343	5.0
253.09283	4.3
255.23285	89.9
256.23599	7.8
293.21381	1.5
366.29419	1.4
430.40686	1.2
443.19495	2.4
461.20508	3.4
556.64331	1.2
699.43353	4.2
717.44336	100.0
718.44757	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	716.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67398	0.1
57.83921	0.1
59.01368	0.5
61.98829	100.0
62.98536	0.2
71.01408	0.1
75.28434	0.1
79.78905	0.1
80.04156	0.1
89.02446	0.1
98.20667	0.2
99.21201	0.1
101.02458	0.2
125.02443	0.1
169.01428	0.2
208.67209	0.1
255.23378	0.1
256.23715	0.1
279.26010	0.1
333.57047	0.1
399.14218	0.3
400.14676	0.1
463.99155	0.1
486.97034	0.1
599.21307	0.1
657.22491	0.1
716.40369	0.1
717.24945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35591	0.2
51.47821	0.2
59.01384	0.8
61.98835	100.0
62.98532	0.3
67.30667	0.2
69.05261	0.2
71.01395	0.5
78.95934	0.4
87.38081	0.2
89.02460	0.2
90.57217	0.2
97.02979	0.2
101.02482	0.3
114.78212	0.2
125.02518	0.3
125.09702	0.4
126.10072	0.2
127.11326	0.3
144.87166	0.2
164.27156	0.2
169.01474	0.5
171.10281	6.2
172.10623	2.0
185.11906	0.4
187.09807	0.5
188.10182	0.2
207.10313	0.3
209.11850	0.8
210.12201	0.3
211.13457	0.6
223.13474	0.2
224.13705	0.2
225.11502	0.2
227.12846	0.2
245.19092	0.2
253.09358	0.8
289.18179	1.2
290.18570	0.7
307.19162	0.4
308.19699	0.3
590.46899	0.2
716.39435	0.2
717.39020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33430	0.5
57.03451	1.0
57.31387	0.4
57.81212	0.4
59.01379	4.4
61.93580	0.4
61.98831	1.3
69.03455	5.2
71.01369	4.7
71.05021	1.1
73.02934	0.7
78.95898	1.1
83.01394	0.6
85.02962	1.2
87.00848	1.3
89.02439	2.6
95.01391	0.6
97.02916	0.6
98.19925	1.0
99.00886	0.7
100.04124	0.6
101.02444	3.3
105.60913	0.4
113.02428	2.1
123.08163	0.9
125.09731	1.7
133.05135	0.6
149.53487	0.5
151.11218	2.5
153.12785	1.0
154.28969	0.6
161.04524	0.6
161.09726	3.0
179.10764	7.3
197.11815	41.0
198.12170	2.4
199.99608	0.5
202.58293	0.5
209.11937	0.5
223.09880	1.1
228.96761	0.6
235.08293	1.0
241.10803	2.0
253.09312	3.0
255.23277	75.8
256.23602	7.9
290.16962	0.5
419.15744	0.6
477.19827	1.0
688.25397	0.5
692.89880	0.5
715.42682	100.0
716.43054	26.3
716.55908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12188	1.6
54.63245	1.7
57.03443	3.1
59.01382	12.2
61.98830	21.6
62.69284	1.6
69.03448	1.9
71.01380	9.1
71.07583	3.1
71.28194	1.7
76.05901	1.6
78.95918	2.8
83.05036	2.7
85.02930	2.9
89.02441	6.1
92.91704	1.6
95.05030	1.9
97.06604	13.2
101.02424	9.2
109.06564	5.2
111.08163	2.4
113.02467	2.2
123.08179	8.0
125.02404	2.4
125.09730	100.0
126.10028	3.2
152.99571	2.4
153.12917	1.9
161.04565	1.8
163.11320	2.7
169.01305	1.9
169.08647	3.0
170.73909	2.1
171.10240	11.2
174.72002	1.6
183.13995	3.0
185.11763	2.5
187.08119	3.4
187.09769	60.9
188.10109	2.9
197.11897	10.9
201.11325	2.7
207.10237	16.4
209.11836	7.5
211.13399	28.1
224.18472	2.1
225.11314	7.7
227.12968	1.9
253.09216	5.6
261.90768	1.8
291.19791	2.7
309.20804	5.2
401.23413	3.4
405.17569	2.8
423.18735	17.2
427.31339	2.0
514.01233	1.7
637.32013	8.0
655.33093	5.5
715.39050	97.2
716.39160	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72970	0.5
59.01377	4.0
61.98829	100.0
63.87335	0.3
69.03453	0.5
70.35276	0.8
70.35645	0.8
71.01382	2.9
72.09761	0.3
72.99314	0.5
73.02943	0.5
78.95921	1.0
83.01396	1.2
83.05019	0.4
85.02965	0.9
87.00867	0.7
89.02444	2.2
95.01402	0.5
97.02943	0.6
97.06575	1.9
101.02431	2.2
109.06594	0.5
111.08196	0.6
113.02457	1.0
123.04556	0.6
123.08202	0.9
125.02454	1.5
125.09716	4.3
127.11264	1.1
137.09729	0.7
141.09283	0.5
153.09204	0.5
161.04596	0.8
163.11307	1.7
165.12801	0.6
167.10738	0.6
169.01396	2.7
171.10265	54.9
172.10612	3.0
174.84380	0.4
181.12332	0.5
183.13889	0.6
185.11850	2.4
187.09775	3.4
188.10147	0.5
191.14392	1.5
200.38957	0.4
207.10274	1.1
209.11838	5.0
210.12358	0.4
211.13344	3.8
212.13760	1.9
213.13991	0.6
223.13371	2.4
224.13699	2.0
225.11186	0.7
225.13959	0.6
227.12848	1.1
235.08211	1.6
237.11203	0.5
245.19092	3.6
253.09288	5.5
254.09557	0.5
258.01584	1.9
263.20093	0.8
289.18097	12.4
290.18466	1.3
291.19608	0.8
293.21088	0.6
307.19116	8.7
308.19345	0.6
309.20676	1.1
329.23352	0.5
364.40005	0.4
423.18866	0.5
445.20392	0.5
491.24695	1.9
492.24945	0.5
639.16998	0.7
715.38831	1.3
716.38818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54643	1.2
56.69193	1.1
57.03447	3.3
59.01384	21.0
61.98834	13.6
69.03455	1.9
69.79940	4.1
69.80355	1.8
71.01382	10.2
73.02951	3.6
76.08860	1.1
78.95906	2.1
81.03467	1.4
83.05000	2.9
85.02942	2.8
87.00848	1.5
87.71803	1.3
88.98818	1.5
89.02453	4.8
95.05048	1.5
97.02959	5.5
97.06596	7.2
98.20664	1.5
99.00893	1.7
101.02442	7.8
109.06603	19.1
111.08154	1.9
111.57851	1.3
113.02449	6.3
119.03505	1.4
121.06552	2.0
123.08150	3.1
123.64780	1.2
125.02440	2.8
125.09734	38.7
126.10065	2.1
135.08145	1.7
156.93307	1.3
161.04599	3.6
163.11302	9.9
165.12849	1.5
166.61330	1.3
168.60536	1.4
169.01390	1.7
171.10266	12.2
181.12315	5.9
183.13922	10.8
185.11789	1.9
187.09760	17.5
193.12213	1.8
197.10300	1.4
197.11803	8.0
199.13329	1.3
207.08350	2.7
207.10275	44.9
208.10596	3.5
209.11902	7.8
211.13412	100.0
212.13788	5.8
225.11366	21.4
227.12955	1.9
235.08279	5.5
253.09296	9.9
263.16589	1.2
290.33643	1.4
291.19476	2.9
305.38907	1.4
309.20630	4.5
325.14716	1.3
339.23431	1.9
346.50043	1.2
357.24493	1.5
373.23764	2.4
383.22241	5.0
391.24680	1.6
401.23328	12.6
405.17578	2.6
419.24329	5.6
423.18811	3.7
440.46970	1.3
443.19183	4.0
447.22330	4.6
461.20432	4.8
609.32892	3.8
619.31525	1.7
637.32288	23.9
638.32849	5.7
655.33380	31.5
656.33887	3.3
715.39111	42.1
716.39130	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	712.537
Annotation	Pinelloside
Peak:m/z	Relative Intensity
55.10888	1.8
57.03444	2.2
58.00579	6.1
59.01385	100.0
60.01698	2.2
61.98827	6.5
63.75942	1.9
65.31519	2.4
65.92883	1.8
70.16873	4.3
70.17264	4.3
71.01385	60.4
72.99307	7.2
73.02975	2.7
78.95905	5.0
83.01395	3.3
85.02946	7.5
87.00883	3.2
89.02447	90.6
95.01352	4.1
98.19962	2.1
101.02441	49.5
102.02769	2.3
110.98529	2.1
113.02464	26.5
119.03520	42.3
131.03523	4.1
143.03474	6.5
149.04497	4.5
161.04533	8.6
179.05620	15.7
213.86380	1.7
225.22240	18.6
230.31793	1.8
237.22289	2.5
253.21800	3.8
255.23283	8.7
271.22803	7.0
278.24850	3.4
281.24802	4.4
289.18069	3.0
296.26041	5.0
307.19165	3.2
532.47339	49.1
533.47473	9.0
550.48456	20.9
551.48944	3.4
712.53717	42.4
713.43573	4.3
713.54584	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	713.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68595	1.0
53.42035	0.9
55.93945	1.0
57.03419	1.2
59.01373	15.7
61.98823	5.8
69.03444	1.8
71.01376	4.3
71.50079	1.4
78.95869	1.2
89.02430	4.1
101.02425	4.3
110.06796	0.9
119.03421	1.6
125.02409	1.3
125.09713	3.2
131.09808	1.2
167.10699	2.8
167.14232	1.1
169.01416	1.6
171.10262	1.2
177.25255	1.2
179.05542	1.3
179.14339	2.4
183.13910	6.9
185.11818	3.2
187.09668	2.6
193.12277	1.2
195.13918	6.3
197.11810	1.7
201.11349	5.5
201.12988	1.1
205.12335	5.9
211.13387	100.0
212.13710	6.6
223.13387	74.9
224.13681	5.2
235.08308	5.4
253.09383	8.6
277.21768	1.7
293.21201	3.7
301.00281	1.5
309.20697	1.4
397.13510	3.1
441.21375	2.2
447.22498	9.9
459.22372	10.5
540.16833	1.1
556.92340	1.3
621.14093	1.2
635.34259	1.7
653.35016	2.9
713.37384	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	713.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16198	0.4
59.01358	0.8
61.98808	0.6
71.01358	0.5
71.28853	0.6
73.16422	0.4
86.02884	0.4
89.02470	0.4
92.41125	0.4
96.95988	0.7
112.38885	0.4
123.00865	0.5
125.02403	0.4
165.49611	0.4
169.01384	1.7
200.37860	0.4
285.03976	1.0
313.80569	0.4
451.33209	0.5
465.06799	0.6
677.49701	2.6
678.49829	0.6
713.47321	100.0
714.47589	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	711.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98666	7.3
56.02596	6.0
59.01368	24.2
71.01395	17.7
81.74302	7.6
89.02431	18.9
89.05114	6.3
97.02892	7.5
101.02423	11.8
111.84000	6.7
125.02509	6.8
125.44148	7.0
137.50711	6.4
179.05653	7.2
277.21652	45.6
293.21216	15.0
397.13474	100.0
398.13589	10.6
415.14462	35.6
654.27380	8.8
711.33380	41.7
712.33813	13.4
714.98383	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	711.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	23.6
60.61948	5.5
61.98831	91.9
65.46520	6.2
71.01370	17.6
79.46695	5.8
80.09257	5.1
88.98814	6.6
89.02411	6.3
98.20702	9.1
113.02446	6.5
116.92895	8.1
119.78596	5.8
123.00888	6.1
125.02424	11.5
147.72403	5.5
169.01366	10.9
171.10307	6.6
179.15215	5.2
197.11852	85.1
198.11862	5.7
207.10225	19.2
209.11821	100.0
210.12117	7.5
211.13391	72.4
212.13667	5.5
225.11217	15.3
227.12872	30.1
235.08121	10.1
253.09305	15.2
310.90985	5.9
343.22659	9.9
433.20602	13.7
433.70416	5.8
445.20901	12.2
489.32391	9.5
549.26660	10.9
625.32996	9.4
639.32782	8.1
655.32446	8.6
711.33228	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13048	2.1
59.01380	12.6
61.98831	100.0
64.63612	1.8
69.18361	2.0
71.01378	4.5
72.99303	2.0
78.95916	5.9
87.00897	2.5
89.02442	3.4
101.02461	2.0
125.02427	8.7
141.89021	1.9
144.18286	2.3
163.11369	2.4
169.01396	7.1
171.10239	3.3
197.11847	8.6
201.11363	4.4
207.10275	4.1
209.11836	19.9
211.13408	18.5
212.45003	2.0
225.11507	3.1
227.12901	7.5
238.39542	2.5
253.09224	2.8
268.89346	2.1
292.98880	2.5
318.77136	2.3
463.21417	2.2
618.56152	2.2
639.33234	2.7
711.33722	14.4
712.32574	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	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.7
61.98825	2.5
68.65303	0.3
69.03458	1.3
71.01391	3.0
72.99338	0.4
73.02951	0.7
78.95911	1.8
83.05003	0.4
85.02959	0.5
87.00890	0.8
89.02457	3.5
101.02422	2.3
113.02459	1.2
113.09763	0.4
119.03483	0.5
120.29659	0.4
123.08128	0.4
125.02448	0.5
141.09267	0.4
152.99583	1.0
153.09195	0.5
153.12845	1.5
161.04559	1.2
165.82233	0.4
168.96527	0.5
169.12354	5.7
171.10402	0.4
179.05719	0.4
179.10783	0.7
179.14278	0.5
195.13911	6.0
196.14436	0.5
197.11833	100.0
198.12178	5.5
205.12523	0.4
209.11797	1.0
211.13368	0.6
223.13367	3.1
224.13725	0.4
227.12878	0.5
229.17871	0.5
235.08258	3.0
246.27705	0.4
253.09302	14.2
256.13168	1.0
258.01465	0.5
263.20255	0.4
275.20123	4.8
293.21228	61.5
294.21600	6.3
317.06714	0.4
433.20816	4.3
434.21252	0.6
473.32776	0.7
509.71747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.7
56.46005	0.4
57.03447	1.1
58.00594	0.6
59.01380	8.2
61.98839	1.9
69.03449	0.4
70.06044	1.6
71.01378	5.1
73.02950	1.6
78.95908	14.6
80.96517	0.8
81.03434	0.8
83.01413	0.5
83.05025	2.0
85.02946	1.8
87.00878	0.8
89.02456	3.8
94.35888	0.4
95.01409	0.7
95.05032	1.0
96.96993	1.1
97.06590	3.9
101.02438	3.9
113.02466	1.7
119.03506	1.3
125.02454	0.6
125.09716	1.3
127.11288	1.1
133.05013	0.6
140.99840	0.4
151.11287	13.5
152.11613	0.6
152.99590	19.2
155.10779	0.6
161.04619	0.8
163.11269	1.2
165.12791	0.6
169.12344	93.3
170.12715	4.7
171.00667	2.5
171.10295	0.7
179.05666	0.6
195.10283	2.0
201.11319	17.8
202.11803	0.6
209.11829	18.7
210.12213	1.3
213.11322	12.5
213.12869	0.3
214.11624	0.7
227.03271	1.3
227.12871	1.7
235.08260	1.6
245.04309	0.5
245.13954	0.6
253.09187	3.0
253.21675	3.6
277.21719	23.0
278.22086	2.8
279.23325	1.0
308.22885	0.4
337.10538	0.5
363.12286	0.7
381.13278	1.1
429.15369	0.9
431.19138	3.1
432.20059	0.5
437.15594	1.0
449.20242	9.2
450.20331	1.0
455.16873	3.9
473.17892	18.3
474.18411	1.2
691.38214	2.9
692.38910	0.8
709.41187	100.0
710.41571	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	709.417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21589	0.7
57.03428	1.8
59.01377	4.6
64.23941	0.6
68.99543	0.7
69.03457	1.0
71.01389	4.3
71.39479	1.2
73.02936	1.2
78.95906	11.5
83.01354	0.8
83.05007	1.8
84.69216	0.8
85.02971	1.7
87.00877	2.0
89.02451	2.0
95.05042	1.9
96.96927	0.8
97.06593	6.0
101.02438	4.7
113.02464	2.6
113.77105	0.8
125.09693	1.0
127.11318	1.3
145.05078	0.9
149.09772	0.8
151.11281	17.7
152.99593	17.6
161.04497	1.3
169.12341	47.1
170.12642	2.6
171.00740	1.3
195.10271	6.3
201.11327	15.4
202.11714	0.8
209.11819	15.7
213.11305	7.4
225.11330	1.0
227.03336	1.2
227.12910	1.5
235.08200	1.9
253.09370	3.2
253.21735	3.1
277.21719	54.1
278.22028	5.7
337.10736	0.9
381.13397	1.2
431.19138	3.6
449.20215	2.7
455.16840	3.4
473.17978	15.3
474.18195	2.5
504.33057	0.8
691.38702	3.2
709.41272	100.0
710.41687	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	709.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.7
61.98825	2.5
68.65303	0.3
69.03458	1.3
71.01391	3.0
72.99338	0.4
73.02951	0.7
78.95911	1.8
83.05003	0.4
85.02959	0.5
87.00890	0.8
89.02457	3.5
101.02422	2.3
113.02459	1.2
113.09763	0.4
119.03483	0.5
120.29659	0.4
123.08128	0.4
125.02448	0.5
141.09267	0.4
152.99583	1.0
153.09195	0.5
153.12845	1.5
161.04559	1.2
165.82233	0.4
168.96527	0.5
169.12354	5.7
171.10402	0.4
179.05719	0.4
179.10783	0.7
179.14278	0.5
195.13911	6.0
196.14436	0.5
197.11833	100.0
198.12178	5.5
205.12523	0.4
209.11797	1.0
211.13368	0.6
223.13367	3.1
224.13725	0.4
227.12878	0.5
229.17871	0.5
235.08258	3.0
246.27705	0.4
253.09302	14.2
256.13168	1.0
258.01465	0.5
263.20255	0.4
275.20123	4.8
293.21228	61.5
294.21600	6.3
317.06714	0.4
433.20816	4.3
434.21252	0.6
473.32776	0.7
509.71747	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76003	0.5
57.83591	0.5
59.01379	1.1
63.96238	2.0
70.22862	1.2
70.23215	1.4
71.01382	9.6
73.02956	2.1
78.95903	2.0
78.98585	7.1
79.95734	13.4
80.96517	86.5
81.03455	0.8
85.02946	3.3
87.00850	3.4
94.98083	17.4
95.67899	0.6
96.96013	1.4
97.02960	1.4
101.02439	2.8
106.98084	3.9
112.51395	0.6
122.97544	4.1
125.02454	3.8
131.80849	0.7
132.16579	0.6
134.97569	5.9
136.99129	1.7
146.78038	0.7
146.97601	0.7
148.99130	6.1
152.98627	5.9
152.99666	1.5
164.97336	0.9
164.98636	14.3
171.10265	2.5
206.99661	2.9
207.10260	0.7
208.36581	0.6
225.00734	18.2
225.11249	1.6
226.01047	0.7
233.30760	0.6
255.23288	4.0
279.23282	6.3
376.27484	0.7
453.14484	4.0
537.27356	1.9
674.22614	0.6
691.38470	0.8
709.38354	100.0
710.38684	23.2
710.48267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77907	1.5
59.01367	2.7
61.98812	3.3
65.49123	1.6
71.01378	7.6
71.50224	2.2
73.02929	2.7
73.35206	1.4
78.95904	25.6
78.98576	4.4
79.40967	1.5
79.95736	10.8
80.96516	77.0
81.03490	1.9
83.05051	1.6
87.00863	2.5
94.98090	19.0
96.96937	3.4
97.02946	1.6
101.02435	2.6
106.98096	3.1
109.06568	1.9
122.97546	4.1
125.02402	4.0
127.64231	1.7
134.97575	4.3
136.99153	2.7
143.08565	1.4
147.08409	1.4
148.99115	6.4
152.98573	4.2
152.99612	29.0
163.11255	2.2
164.98584	9.0
171.00607	2.9
171.10228	6.6
181.12312	2.6
185.26749	1.8
197.11809	2.0
199.09776	2.1
199.13382	5.7
200.92065	1.8
206.99670	2.0
207.10233	7.3
209.11859	12.7
213.58231	1.6
225.00739	17.0
225.11368	10.8
227.12848	8.1
235.58394	1.5
253.08887	2.0
253.21741	2.7
255.23277	23.2
256.23523	3.2
279.23312	14.4
281.24863	15.8
361.10471	2.3
453.14243	2.2
455.16724	15.2
473.17825	1.9
510.70834	1.7
524.59796	2.0
691.38287	20.4
692.38800	4.3
709.38477	100.0
710.38940	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
59.96117	0.6
63.96239	1.2
66.05903	0.6
71.01057	0.8
71.01392	8.1
71.30419	1.1
73.02956	1.5
78.98590	6.5
79.95732	13.0
80.96518	80.5
85.02950	2.6
87.00871	3.3
94.98087	16.2
96.96012	0.9
97.02943	1.6
101.02457	3.0
106.98103	3.4
122.97578	3.8
124.73952	0.7
125.02456	3.4
127.04015	0.9
129.25429	0.6
134.97624	4.6
136.99133	1.6
137.77802	0.6
146.58994	0.6
148.99162	7.6
152.98643	6.8
164.98637	11.8
171.10280	1.5
206.99719	3.4
225.00755	19.9
225.02966	1.0
227.22685	0.6
233.53951	0.7
255.23329	1.4
257.15491	0.8
279.23346	1.3
453.14243	3.0
537.27448	1.3
617.30634	0.8
709.38379	100.0
710.38776	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.6
61.98830	12.8
64.94538	2.1
69.03454	2.3
71.01373	7.7
73.02956	6.2
77.31760	2.3
78.69324	2.1
78.95900	26.4
85.02933	3.0
89.02451	3.4
98.19883	7.3
101.02413	5.1
109.06570	6.5
113.02411	4.0
125.09685	3.5
137.09686	2.9
152.99612	12.0
161.04536	2.7
171.10237	10.2
181.08723	5.4
183.13853	11.0
197.11752	8.0
199.08014	3.4
199.09749	40.5
207.10330	13.5
209.11777	11.5
210.12148	5.5
211.13380	100.0
212.13680	7.9
221.53619	2.9
225.11256	14.9
235.08168	4.5
253.09322	13.5
284.81882	2.9
289.01059	2.4
293.21133	4.7
295.84866	2.7
375.21780	5.5
396.75186	2.4
401.23489	4.4
435.18707	4.2
447.21957	5.8
461.20050	3.3
593.29230	4.3
611.31012	5.7
629.32220	4.1
637.32751	7.6
655.33118	5.3
677.35675	8.0
709.37048	9.8
710.38007	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	709.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02157	2.6
55.49737	3.6
59.01380	66.3
60.44181	2.8
61.45375	2.9
61.98830	100.0
71.01380	45.0
73.02943	8.1
78.95907	12.9
80.97409	3.0
82.38238	2.8
83.04978	2.9
85.02941	4.8
87.00880	3.6
88.98789	3.6
89.02460	15.9
95.01403	3.5
96.96949	4.4
101.02436	17.0
109.06618	6.2
113.02447	11.8
125.02426	8.8
137.02461	3.0
152.99620	3.2
161.04555	14.6
163.11292	7.1
168.00615	2.9
169.01407	11.3
171.10251	35.5
183.13863	6.1
185.11890	4.0
197.11867	4.1
199.13397	5.7
201.11327	5.5
207.10257	28.6
208.10582	6.2
209.11818	69.1
209.38300	2.6
210.12192	4.0
211.13405	53.9
212.13795	5.3
225.11354	20.7
227.12872	27.5
228.05301	3.3
235.08134	7.1
245.53082	2.9
247.13420	3.8
253.09296	14.1
293.21124	3.7
311.22266	50.5
341.20850	3.2
364.89014	2.8
391.25156	4.6
397.13287	8.2
401.23245	5.7
407.19077	2.9
415.14529	12.7
445.20285	3.7
461.20309	7.8
463.21301	4.8
487.30679	16.4
490.76245	3.2
637.31964	18.2
653.31366	3.5
655.33252	20.6
656.33722	6.1
709.31824	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	709.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	44.3
61.52419	2.8
61.98830	32.4
65.45113	3.0
71.01385	19.5
78.95900	8.8
83.05019	3.6
89.02438	4.7
90.55265	3.5
95.88908	3.6
96.26921	3.3
97.02901	4.0
101.02475	6.5
101.87231	3.1
113.02455	3.8
152.99527	4.0
155.10712	4.0
161.04543	3.7
163.11343	5.2
165.12825	7.2
171.10272	11.2
183.13889	51.9
184.14232	5.9
197.11865	17.0
199.09772	24.2
201.11311	5.2
207.10258	13.0
209.11813	27.6
211.13380	100.0
212.13792	4.1
219.27527	4.2
225.11353	12.1
227.12894	12.7
235.08215	12.4
253.09213	14.4
293.21317	7.1
375.21841	4.8
401.23242	3.9
447.22256	8.1
611.30927	6.5
637.33197	5.2
637.89215	4.0
655.33673	6.4
673.34833	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	707.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.4
59.25344	0.3
60.20497	0.3
61.98825	0.9
69.03450	0.4
70.35633	1.0
71.01374	3.7
71.13786	0.3
73.02955	0.9
78.95903	8.7
81.03436	0.4
83.01372	0.5
83.05030	0.7
85.02957	1.1
87.00863	0.8
89.02448	2.2
92.85005	0.3
95.05029	0.5
96.23715	0.3
96.96954	0.5
97.76536	0.3
99.00864	0.5
101.02438	3.3
102.85166	0.3
103.48663	0.3
109.06575	1.8
110.03712	0.3
111.08131	0.4
113.02447	1.1
119.03500	0.6
123.08245	0.3
125.02458	0.4
142.30167	0.3
145.05113	0.6
152.98370	0.6
152.99579	9.2
161.04550	1.3
161.09430	0.3
163.11301	1.5
167.10849	0.5
167.14471	0.5
169.54721	0.3
171.00632	1.0
171.10237	1.7
179.05635	0.4
179.10776	0.5
181.12267	0.7
182.12947	0.3
183.13898	5.8
193.12312	1.5
197.11734	0.7
207.10231	3.5
211.13388	100.0
212.13741	6.8
222.65608	0.3
225.11331	5.5
226.11647	0.5
227.03140	0.8
235.08234	3.4
238.71933	0.3
243.12352	0.5
245.04291	0.4
253.09283	8.8
253.21681	1.6
255.23331	0.9
277.21713	81.0
278.22061	8.1
279.23227	1.0
355.05148	0.3
361.10568	0.8
380.96054	0.3
429.21320	0.8
435.14279	1.2
447.22296	2.2
453.08978	0.6
453.15253	9.3
454.15359	1.0
471.16385	1.9
472.16772	0.5
483.27509	0.6
689.36658	4.3
690.37012	1.0
707.37274	3.4
708.37970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91294	1.0
51.21980	1.3
57.03423	1.2
59.01378	16.7
60.01765	1.2
61.98833	18.6
67.37767	1.1
70.93193	2.5
71.01376	16.9
72.88346	1.2
73.02947	2.0
74.45264	1.2
78.95898	13.5
80.48628	1.3
81.03443	1.8
83.05047	3.1
85.02959	2.4
87.00890	1.7
89.02454	7.7
97.02952	3.8
100.07165	1.3
101.02451	6.8
109.06583	16.6
113.02432	4.4
119.03516	2.3
121.06560	1.4
123.00943	1.5
125.02426	2.2
135.08160	2.1
142.02684	1.2
152.99596	6.1
161.04533	3.0
163.11263	9.4
167.14429	1.3
169.01530	1.8
171.10297	4.4
181.12296	4.4
183.13878	15.7
185.11789	2.6
188.74040	1.3
189.09146	1.5
199.09724	2.5
207.10262	51.8
208.10661	4.0
209.11836	11.7
211.13391	100.0
212.13751	7.5
225.09248	2.2
225.11317	30.8
226.11647	1.7
227.12915	2.7
235.08165	4.3
253.09372	13.7
293.21219	6.2
329.23407	1.3
373.23926	2.5
383.22223	3.6
391.24976	2.9
401.23257	9.1
402.23648	2.4
415.95401	1.3
419.24451	3.7
443.19196	3.3
447.21753	1.6
461.20258	12.4
465.22366	1.6
609.32892	1.4
637.32117	8.6
655.33221	16.1
656.33838	5.5
677.36169	2.0
709.38599	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.438
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46787	0.5
59.01387	4.6
61.98831	1.3
63.22678	0.4
71.01385	3.4
73.02947	0.7
78.95908	14.1
80.96516	0.9
83.05046	0.7
83.60155	0.5
85.02955	1.0
86.69476	0.4
87.00895	0.5
89.02451	1.9
95.05068	1.1
96.96963	1.4
97.02988	1.1
101.02451	2.6
109.06585	3.2
113.02480	1.5
113.06154	0.4
119.03558	0.6
145.05093	0.5
150.97960	0.5
152.99596	17.1
156.18208	0.5
161.04573	1.6
161.09741	0.6
163.11295	3.1
171.00662	2.0
171.10295	2.0
173.25079	0.5
179.10820	0.5
181.12355	1.3
183.13913	6.0
184.14369	0.5
193.12273	1.0
197.11882	0.5
206.81261	0.5
207.10297	7.1
208.10599	0.6
211.13412	100.0
212.13741	6.9
220.61102	0.5
225.00879	0.5
225.11336	10.3
226.11674	0.5
227.03305	1.0
235.08263	4.3
245.04175	0.5
253.09312	9.8
253.21797	2.8
255.23390	1.2
277.21735	99.7
278.22107	10.6
278.24991	0.9
279.23349	1.3
324.85333	0.5
361.10535	0.7
401.15027	0.5
429.21249	0.8
435.14285	1.7
447.22150	2.4
448.22806	0.9
453.15314	17.4
453.21436	1.0
454.15646	3.3
471.16394	1.9
483.27509	0.7
689.36700	10.9
690.37164	2.9
707.37262	4.3
708.38110	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75512	0.6
62.95219	0.7
70.44538	0.6
78.95905	33.9
89.98055	0.7
96.96964	2.1
100.93242	0.8
105.43104	0.7
110.98505	0.7
141.33104	0.6
145.50476	0.6
147.28934	0.6
148.37617	0.6
152.99599	40.3
154.00000	0.7
158.58597	0.6
165.12843	2.4
167.14330	1.0
171.00626	3.3
183.13905	9.1
185.09998	0.8
193.12288	2.4
209.11943	1.0
211.13393	100.0
212.13736	6.5
227.03255	5.2
245.04286	0.9
253.21727	22.6
254.22115	2.0
255.23351	3.2
277.21686	5.0
278.22021	4.8
279.23120	3.3
347.12833	1.6
379.15182	2.0
412.39145	0.7
421.16119	1.7
439.17419	7.7
471.20001	76.6
472.20288	8.0
483.27142	2.5
576.81512	0.7
604.77484	0.7
675.39288	2.7
707.41382	25.5
708.41455	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	707.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.9
61.98826	2.0
69.03452	1.3
69.42136	9.4
71.01385	4.8
71.12421	1.2
77.68153	1.2
78.95906	98.9
80.96519	2.6
81.03422	1.8
83.05036	2.7
95.05049	1.6
96.96949	7.9
97.02961	5.6
101.57082	1.2
109.06595	34.3
121.06619	2.2
125.09747	1.4
131.97450	1.3
134.98529	1.3
135.08136	3.8
136.05319	1.4
142.02734	2.5
143.10768	1.8
152.99585	100.0
161.09676	1.6
163.11278	18.1
171.00653	15.5
171.10339	2.6
179.10834	2.9
181.12338	6.4
197.11859	5.1
199.09755	3.1
207.10255	57.9
208.10558	3.4
209.02225	5.4
211.13390	3.3
225.11316	47.0
225.13608	2.4
226.11678	4.1
227.03230	9.7
243.12263	2.8
245.04312	3.5
253.21696	23.4
254.22083	2.4
255.23322	5.9
277.21695	6.9
278.55380	1.4
279.23276	3.2
361.10583	9.5
379.11563	4.7
435.13992	4.0
453.15308	90.6
454.15689	9.6
471.16397	6.5
475.46494	1.4
483.27298	3.4
689.36365	10.5
690.37408	2.6
707.37445	13.1
708.38947	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	707.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86745	1.0
57.61548	0.7
59.01376	5.7
61.98830	16.8
70.35334	2.6
71.01377	6.2
78.95905	100.0
80.02652	1.1
81.03455	1.8
83.05045	3.9
89.02464	1.0
96.96969	8.9
101.02474	1.2
109.06569	1.1
113.02455	0.8
113.09790	0.9
129.09184	1.5
134.98466	1.4
150.98126	1.2
152.99586	50.0
163.11285	4.4
165.12782	2.0
169.01366	1.3
169.12376	2.5
171.00667	1.3
171.10268	3.2
181.12338	1.2
186.57497	0.8
195.10333	1.0
197.11790	7.1
198.12111	1.0
199.09773	0.9
199.13383	1.7
201.11339	1.8
207.10207	1.5
209.11823	52.8
210.12134	3.6
211.13423	5.2
225.11275	1.7
227.12871	6.5
238.61923	0.9
253.09207	1.8
291.19681	4.2
293.21365	5.2
309.20670	1.4
311.22226	11.9
363.12109	12.9
364.12289	1.4
381.13095	3.7
395.14828	12.4
413.15680	1.4
447.21484	13.6
448.21512	1.3
465.22461	3.1
656.19995	0.9
675.35156	40.4
676.35577	7.7
707.37653	23.1
708.38257	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	707.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.8
57.88155	1.0
58.00591	1.2
59.01381	31.1
61.98831	32.8
66.29718	0.9
69.03441	2.2
70.28460	3.1
71.01383	32.1
72.99299	2.6
73.02924	3.7
73.77614	0.8
73.78130	0.9
78.95900	4.3
81.03469	0.9
83.01397	3.2
83.05037	1.6
85.02960	5.7
85.61572	0.9
87.00877	3.6
89.02448	26.5
90.02754	1.1
93.03468	1.4
95.01395	1.3
95.05013	1.7
97.02946	3.2
98.19973	1.2
99.00878	2.1
101.02448	21.3
109.06586	1.6
110.08679	0.8
111.08173	11.4
113.02478	8.0
119.03513	7.8
125.02445	8.2
131.03517	1.5
133.05019	1.5
137.09785	1.1
139.11267	1.0
143.03467	3.6
143.29646	0.9
146.41476	0.8
151.61339	0.9
152.99583	1.4
161.04568	5.4
163.11316	1.3
167.10757	1.8
169.01395	1.9
169.12338	1.3
171.10223	1.5
177.12811	2.5
179.05650	7.1
179.10759	1.5
195.13902	6.9
197.11940	1.1
201.11322	3.1
207.10207	2.2
209.11833	5.4
210.12244	1.0
211.13533	1.9
221.06696	1.9
225.11310	2.8
227.12816	1.3
235.08180	6.0
247.20744	2.2
253.09274	3.4
263.07822	1.0
291.19650	100.0
292.19962	8.2
309.20532	2.3
392.03033	1.1
397.13483	13.2
398.13992	1.3
415.14560	15.5
416.15088	1.9
485.32449	1.0
504.35855	0.9
510.13318	0.9
601.34515	0.9
615.55139	0.9
675.34149	1.2
707.35498	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	707.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00609	1.3
59.01380	13.2
61.98830	15.9
71.01379	64.2
72.99319	1.5
73.02948	2.7
81.03465	2.3
83.01371	1.7
83.05027	5.4
84.02193	1.5
85.02971	2.3
87.00894	1.9
88.98801	1.2
89.02447	5.9
95.05038	1.0
96.96026	1.1
97.02962	1.8
97.06635	1.3
99.00893	1.9
101.02427	6.0
103.42021	1.1
107.05019	1.1
109.06633	5.1
113.02444	5.2
119.03520	1.5
123.00855	1.7
125.02444	3.9
125.09708	2.5
127.11312	3.0
153.09319	1.3
155.10832	1.1
155.14301	1.0
161.04533	2.8
163.11292	7.1
165.09212	1.7
165.12856	1.6
168.00568	1.2
169.01462	4.9
169.12291	1.0
171.10265	52.0
172.10663	1.6
181.12305	3.8
185.11810	4.2
189.09180	1.2
197.11833	2.0
199.09760	6.8
199.13376	4.3
201.11317	37.6
202.11531	1.5
207.10223	15.0
209.11816	100.0
210.12157	5.6
215.12874	2.2
225.11333	18.7
226.39214	1.1
227.12862	11.2
235.08179	3.6
243.12303	3.0
253.09296	11.1
290.18478	1.4
461.20459	4.8
518.70642	1.0
548.61121	1.1
635.31860	1.2
645.31598	1.3
653.31598	2.3
671.32678	5.0
689.34033	6.7
707.23584	1.4
707.35016	13.6
708.34637	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94677	1.1
55.01863	1.2
58.39777	1.1
59.01377	19.0
60.39414	1.1
61.98830	27.5
69.03424	1.5
71.01379	82.6
71.05028	1.2
73.02963	4.0
81.03469	3.9
83.01355	1.9
83.05025	6.8
85.02959	3.9
87.00890	5.2
88.98810	1.4
89.02440	9.8
90.31960	1.1
95.01400	1.7
95.05034	3.3
97.02951	3.8
98.54362	1.1
99.00876	3.5
101.02444	10.9
109.06572	8.3
113.02455	4.6
119.03517	4.1
121.06705	1.3
123.08139	1.4
125.02441	6.4
125.09697	5.4
127.11304	4.4
135.08142	1.5
136.07680	2.6
137.09749	2.0
139.11317	1.4
153.09215	1.7
155.10779	2.6
156.28589	1.2
161.04576	4.3
161.09782	1.1
163.10098	1.5
163.11266	8.4
165.09151	1.3
165.12872	2.1
169.01392	5.8
171.10262	55.0
172.10609	2.5
179.05602	2.7
179.10693	1.4
181.12344	3.7
185.11859	4.8
191.10739	1.5
197.11847	1.9
199.09830	7.9
199.13361	5.0
201.11307	40.0
202.11557	2.5
207.10252	19.4
209.11812	100.0
210.12170	8.3
211.13496	7.0
215.12852	2.5
225.11313	25.0
226.11748	1.6
227.12852	16.0
228.13295	2.7
235.08209	5.9
243.12331	3.3
253.09299	14.4
291.19626	8.2
309.20660	3.1
349.37274	1.4
397.13452	10.1
398.13443	1.5
410.63239	1.2
415.14432	4.5
451.21509	1.4
461.20215	5.6
473.32248	1.6
663.32458	2.3
671.33203	3.9
689.34106	6.7
690.34338	2.6
707.34583	12.1
708.35339	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	707.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09511	0.2
56.22918	0.2
59.01117	0.2
59.01365	1.1
63.79584	0.2
69.75728	0.4
69.76144	0.8
71.01378	0.7
83.01405	0.3
83.93526	0.2
84.76347	0.2
85.02949	6.5
87.00888	1.6
87.01356	0.3
91.23058	0.2
93.03455	2.8
96.95995	0.7
98.20598	0.3
99.04514	0.2
109.02932	0.6
111.04545	1.0
125.02410	0.5
127.03992	1.7
133.02954	0.4
135.04492	0.9
137.02448	0.3
141.72362	0.2
155.03470	0.3
161.02452	1.8
169.01379	0.4
171.03017	0.3
173.04591	1.2
179.03453	0.7
191.05608	100.0
192.05954	4.5
209.08186	0.3
211.23457	0.2
289.07101	0.8
353.08755	13.0
354.09122	0.9
707.20258	0.3
733.08289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	23.7
61.98838	46.8
70.85593	4.1
71.01379	30.6
72.61294	3.5
78.95882	4.8
79.95724	4.9
80.96519	30.3
83.05031	4.4
88.98808	25.4
89.02435	9.2
90.61655	3.6
94.98092	10.9
96.95984	4.2
97.02959	5.0
98.19868	7.8
98.92579	3.7
99.00874	9.0
101.02457	12.8
104.34557	3.6
109.06584	7.1
110.18985	4.1
125.02423	9.7
147.03142	3.5
153.46892	3.5
161.04572	3.8
163.11288	7.5
164.98688	6.6
165.12886	5.7
169.12244	7.6
171.10187	7.9
181.12291	5.5
185.11838	4.3
197.11868	4.9
201.11238	6.2
207.10170	18.6
209.11813	100.0
210.12187	13.8
211.13390	10.7
225.00710	11.4
225.11342	53.6
227.12923	28.4
228.13118	4.9
235.08215	5.4
253.09126	8.0
288.03940	3.7
289.18201	4.9
308.19528	5.7
309.20657	8.8
318.95233	4.4
397.13394	4.1
415.14441	5.0
461.20288	20.5
462.20935	4.8
485.32782	10.6
635.31042	5.0
653.31769	17.4
654.32941	5.6
671.31531	17.6
707.29822	90.9
708.30182	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	707.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98298	0.9
51.65430	1.0
52.79672	1.0
53.00859	1.1
58.17830	0.9
58.91236	0.9
59.01383	8.3
61.98829	100.0
62.51006	0.9
63.99242	5.2
64.62686	0.9
66.42905	0.9
70.35507	1.0
71.06831	1.0
71.07164	1.9
78.95887	2.3
83.01394	1.0
84.47721	1.0
84.65233	0.9
91.24268	1.1
99.71606	1.0
109.02979	1.0
113.41843	1.1
125.02416	1.0
133.02997	2.6
134.03729	1.0
144.71118	0.9
151.00351	2.8
152.99495	1.2
183.04453	1.3
197.11852	1.1
209.11897	1.4
211.03899	1.5
211.13417	8.4
213.05347	0.9
225.11421	1.2
227.03481	48.9
228.03947	1.9
229.05139	1.5
239.03377	1.2
255.02974	59.1
256.03561	8.9
277.21716	6.4
278.22122	1.3
284.03241	54.8
285.04010	49.5
286.04407	4.2
309.20627	1.2
327.04788	1.2
341.23145	2.1
424.29092	1.1
554.70789	1.0
707.30743	85.4
708.30969	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	705.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47643	0.7
59.01376	3.1
61.98835	11.2
70.81647	1.9
71.01379	4.3
73.02941	1.0
74.37106	0.6
80.02681	0.8
81.03451	0.9
83.05042	4.5
85.02941	1.0
85.32671	0.9
87.00877	1.6
89.02441	1.8
91.83040	0.7
101.02434	2.8
113.02447	1.3
125.02419	0.7
137.16342	0.6
161.04457	0.9
163.11304	3.7
164.89017	0.6
165.12822	2.6
169.12335	3.1
171.10223	3.6
181.12341	1.4
191.10791	1.0
197.11800	1.3
199.13368	0.8
201.11299	0.8
207.10240	1.2
209.11826	100.0
210.12143	7.3
225.11349	1.5
227.12904	15.1
228.13322	0.8
235.08308	2.2
241.61952	0.8
253.09315	5.0
259.15488	1.8
445.20993	1.3
604.69037	0.7
687.32336	0.9
705.33643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.33
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
60.57036	0.1
61.98831	100.0
62.98542	0.1
69.25121	0.1
71.01395	0.6
73.02946	0.1
75.15017	0.1
78.39359	0.1
78.95898	0.2
83.05031	0.3
89.02454	0.3
98.19853	0.3
99.00925	0.2
101.02452	0.5
109.06566	0.2
113.02469	0.3
120.71519	0.1
142.72243	0.2
151.11299	0.2
152.99577	0.1
161.04596	0.1
163.11334	0.3
165.12877	0.4
169.12360	0.7
171.10309	0.4
172.28455	0.2
181.10739	0.1
181.12370	0.2
183.13916	2.4
184.14212	1.1
197.11998	0.2
199.13365	0.2
207.10248	0.5
209.11827	3.7
210.12151	1.5
211.13475	0.3
212.13857	0.2
225.11394	0.6
227.12985	0.5
228.13292	0.3
253.09286	0.4
339.24622	0.1
421.28525	0.1
447.52991	0.1
656.34229	0.2
657.31616	0.3
673.34857	0.2
674.34692	3.6
674.45129	0.2
675.35217	0.5
706.37970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.0
61.98824	3.3
71.01391	1.6
71.05058	2.1
71.50384	2.8
76.82478	1.8
76.98894	1.9
78.95908	100.0
96.65647	2.0
96.96956	7.1
114.80888	1.9
119.38287	1.8
152.99594	86.1
153.12877	2.7
160.93149	1.8
171.00667	10.2
171.10234	2.2
179.10791	4.4
186.14018	1.8
190.62282	2.0
197.11827	65.3
209.11893	2.2
213.33597	1.9
227.03226	4.2
241.10822	36.8
255.23277	4.1
277.21704	17.5
319.42145	1.9
347.32367	1.9
377.10101	9.3
451.13791	12.7
469.14819	38.5
470.15161	3.6
483.27020	1.8
705.36157	90.9
706.36774	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	705.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.9
61.98826	3.9
70.26722	1.7
70.27100	1.8
71.01395	2.4
77.08803	1.0
81.03461	1.2
83.05041	4.9
83.91722	0.9
84.02161	1.5
85.86558	0.9
87.00895	1.5
89.02485	1.7
98.20559	1.2
101.02463	2.3
103.95564	1.1
109.05547	1.0
111.07058	1.0
154.34177	1.1
163.11264	2.5
165.12827	1.5
169.12350	1.9
171.10254	2.4
176.40387	1.2
199.13380	1.6
209.11829	100.0
210.12187	6.5
225.11354	1.6
227.12917	16.0
228.13234	1.3
234.68729	1.0
235.08214	2.7
253.09274	6.2
287.07587	1.2
441.37585	1.1
445.21039	1.7
674.32452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55078	2.3
59.01394	4.9
61.98830	100.0
70.17306	2.3
71.01385	31.7
72.68323	2.4
76.81216	2.4
78.72369	2.3
78.95926	4.6
107.58984	2.4
109.06577	4.3
111.47843	2.4
112.99203	2.6
125.09692	2.5
132.75436	2.5
163.11327	4.3
171.10289	7.5
181.12308	4.0
197.11765	6.7
199.13397	3.4
205.12437	3.4
207.10321	15.5
209.11829	33.2
211.13402	27.0
223.13425	34.1
225.11299	10.6
227.12866	7.5
235.08327	2.7
253.09291	6.8
430.26382	2.5
436.89063	2.7
459.22287	7.5
461.19940	3.0
673.34039	6.0
705.33752	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	705.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.8
59.01376	16.3
61.98830	87.6
71.01382	100.0
71.05023	2.5
72.75059	2.7
73.02947	9.0
74.70530	2.4
76.57609	2.5
78.95905	45.5
81.03455	3.8
83.05036	5.0
85.02950	9.7
87.00887	21.6
89.02434	8.3
95.05013	4.1
96.97002	3.5
97.02952	6.8
97.06593	3.2
99.00882	6.3
101.02449	10.6
109.06578	21.1
113.02443	7.0
125.02462	3.8
125.06074	3.0
125.09705	11.1
127.11267	4.6
142.02734	3.3
142.62935	2.8
151.11252	2.8
152.99577	25.3
159.04585	2.3
161.09764	3.7
163.11296	18.9
165.12860	3.5
169.12334	3.9
171.10262	78.3
174.74988	2.9
179.10683	5.0
181.12326	7.8
185.11829	6.2
197.11842	8.3
199.09575	3.3
199.13354	8.6
201.11305	37.0
205.08728	3.5
207.10239	59.2
208.10480	3.9
209.09912	4.4
209.11826	57.6
210.12161	4.8
211.13351	6.3
213.11365	4.6
215.12852	9.4
223.09729	5.6
225.09258	4.2
225.11331	76.8
226.11336	2.5
227.12877	9.8
235.08136	5.2
243.12361	6.2
253.09296	10.6
254.09587	3.7
291.19699	5.1
295.22327	2.9
395.14932	5.3
445.20007	5.5
461.20114	8.6
669.31061	3.5
673.33398	9.9
687.33173	12.5
688.32233	3.5
705.34723	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	705.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15470	3.2
59.01370	12.1
61.98830	100.0
64.84176	2.7
66.29357	2.9
69.03416	3.9
69.44118	3.9
71.01385	60.9
72.99302	3.6
73.02937	5.7
78.95901	29.7
79.95750	7.3
80.96516	32.4
81.03445	3.8
82.41632	4.3
83.05003	6.7
85.02936	5.4
87.00894	4.4
94.98102	7.9
95.05022	3.3
97.02966	4.4
98.20669	7.6
99.00898	3.6
101.02422	5.8
106.04262	3.9
109.06578	14.9
113.02428	7.2
124.09098	3.1
125.02453	4.9
125.09660	5.6
131.89580	3.1
131.96878	3.5
148.15044	3.3
152.99600	15.8
160.55707	3.5
161.04555	4.2
163.11252	12.6
164.98602	5.8
165.12820	3.3
169.12407	4.5
171.10275	26.3
174.62282	4.0
181.12395	5.5
183.13869	6.7
185.11850	3.3
197.11803	15.5
201.11324	9.9
207.10237	50.4
209.11812	40.3
211.13400	29.3
223.09746	3.3
225.00711	7.2
225.11299	36.2
227.12875	7.9
235.08226	6.4
243.12204	3.4
253.09192	10.2
273.17075	4.7
415.21582	6.5
442.88254	3.6
461.20212	13.8
607.27722	8.6
625.19458	4.0
625.28412	16.5
633.28857	6.4
651.30206	32.4
652.30652	9.1
669.31128	24.1
673.34222	6.4
705.30164	33.3
706.31610	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	705.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26476	0.4
59.01385	1.9
67.01891	1.2
69.47736	1.6
69.48143	1.2
71.01373	1.9
78.86220	0.4
81.03448	0.8
81.49037	0.4
83.05028	0.7
85.02952	13.4
85.18533	0.4
87.00878	4.9
93.03457	10.4
96.95966	0.5
99.00882	0.4
109.02946	1.4
109.57035	0.4
111.04523	2.5
116.92940	0.4
119.05025	0.9
125.02395	0.7
127.04016	3.1
134.03751	1.5
155.03520	0.6
163.04037	0.9
169.01408	0.4
171.03003	0.8
173.04556	4.2
191.05612	100.0
192.05968	3.3
193.05023	0.6
226.06351	1.5
241.08626	1.7
244.06004	0.4
251.07143	0.6
271.77786	0.5
273.79233	0.4
280.07443	0.9
295.09793	0.8
331.11868	0.4
352.44836	0.4
353.59821	0.4
357.09756	1.7
398.58688	0.4
401.85245	0.4
412.21442	0.4
513.13873	1.4
705.20319	34.9
706.20612	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	705.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93421	1.3
59.01379	10.3
61.98836	7.9
71.01378	8.2
71.51779	1.4
71.99506	1.4
73.02935	2.9
79.37754	1.2
80.05128	1.5
80.21973	1.3
81.50640	1.4
82.41138	1.4
84.43937	1.2
84.54628	1.4
85.02966	2.8
89.02440	7.1
94.02997	14.5
94.06628	5.9
96.95990	3.7
99.00920	2.3
101.02448	5.5
107.03784	9.3
113.02484	2.8
122.06126	60.4
123.00899	2.5
123.06487	2.1
125.02421	9.7
125.09721	1.7
134.06102	6.1
138.05605	5.3
138.26382	1.5
139.02751	4.9
149.04578	2.7
150.05559	4.8
152.07173	88.7
153.07469	4.5
161.04605	2.3
162.07915	1.9
163.11288	3.3
169.01398	8.2
171.10257	9.3
181.12395	2.0
191.05693	1.8
198.69998	1.5
201.11308	4.5
207.10234	3.9
209.11830	23.3
225.11154	6.1
227.12866	7.2
235.08728	2.6
237.10455	3.5
242.09969	1.8
243.12300	2.5
245.99467	1.3
249.10316	2.1
250.07391	7.3
262.07840	1.9
263.08240	5.7
265.09772	15.6
266.10202	2.9
267.11353	2.7
272.14798	1.8
273.15302	1.8
277.09863	7.8
278.07050	9.5
279.07782	2.1
291.07733	5.0
292.08340	2.5
293.09274	54.6
293.12543	2.7
294.09671	5.2
305.09296	19.9
306.09763	2.9
314.79355	1.5
325.11826	2.8
337.08469	4.2
370.11856	2.2
372.13232	2.2
384.13614	2.3
386.15198	3.2
398.14972	2.8
414.14191	2.4
428.16037	3.7
429.17032	2.3
430.17859	7.7
432.15436	7.9
440.16568	2.5
444.15555	4.0
445.20911	2.9
457.16351	3.2
458.17224	23.8
459.17654	3.7
472.18695	3.2
484.15469	2.7
490.19986	5.4
501.15579	2.2
502.16193	39.3
503.16428	6.9
504.21436	7.0
505.21854	3.0
517.18451	10.8
534.18866	9.7
535.18188	2.1
548.20441	3.0
549.21057	4.7
553.23804	2.5
569.24225	3.0
579.22534	2.9
597.23486	41.0
598.23560	6.5
615.22028	2.1
615.78021	1.8
629.26288	24.9
630.26678	4.9
641.22699	15.1
642.22729	2.9
661.28802	4.2
673.25122	100.0
674.25470	22.7
687.32361	4.0
705.27368	20.5
706.28412	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	703.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19891	4.9
59.01358	5.8
61.92577	4.7
61.98823	20.7
69.21481	4.1
69.33740	32.7
69.34158	11.8
78.95917	31.2
78.96313	5.2
89.02435	7.0
100.40911	5.1
101.02428	6.2
107.53349	5.1
109.06586	24.9
127.49181	4.9
130.35071	4.6
135.08186	5.1
136.83372	4.6
144.44435	5.0
152.99565	5.9
162.00290	5.8
163.11302	10.8
171.10274	10.3
207.10208	37.3
209.11816	27.9
210.12123	8.7
223.13438	11.1
235.08310	6.6
241.14392	48.4
253.09430	13.6
255.23300	55.5
256.23593	14.4
277.21729	100.0
278.22037	14.4
361.31976	5.1
380.44162	5.4
436.32840	5.2
703.40033	13.7
704.44684	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	704.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.0
60.01688	0.2
61.98829	100.0
62.98528	0.2
73.98989	0.1
119.88358	0.1
133.28860	0.1
209.11952	0.1
220.40208	0.1
239.12044	0.1
277.21774	0.1
315.61649	0.1
321.08261	0.1
367.66031	0.1
370.26828	0.1
377.49631	0.1
483.15945	0.1
484.15295	0.5
498.17383	0.2
500.18433	0.1
543.17157	0.1
555.19409	0.1
556.19928	0.2
557.19025	0.4
558.19244	1.2
575.16028	0.3
603.12744	0.1
644.22760	0.6
704.24115	2.0
705.24255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21527	0.1
56.13718	0.1
59.01355	0.2
61.98833	100.0
62.98542	0.2
71.01401	1.3
72.96503	0.1
73.02941	0.2
78.37122	0.1
78.95912	1.6
83.05042	0.3
87.00897	0.2
96.96909	0.1
98.19877	0.5
99.15804	0.1
101.02498	0.2
109.06564	0.3
125.02484	0.2
125.09794	0.3
152.99590	0.5
163.11310	0.4
169.12292	0.3
171.10258	1.0
183.58752	0.1
197.11905	0.3
201.11360	0.5
207.10194	0.8
209.11821	1.8
211.13528	0.5
225.11365	1.1
227.13011	0.2
229.77283	0.2
253.09303	0.2
253.91119	0.2
261.27328	0.1
283.73096	0.1
363.12305	0.2
394.90271	0.2
399.54663	0.1
444.18597	0.2
455.95761	0.2
487.82910	0.2
624.56598	0.2
654.32501	0.2
672.33307	0.4
705.35144	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42353	1.4
59.01377	13.8
61.98827	5.6
70.99473	1.7
70.99790	2.2
71.01380	8.8
72.99300	1.3
73.02943	2.2
74.55881	1.1
78.98602	1.1
80.02681	2.8
80.70320	1.2
80.96531	7.1
81.03466	3.0
83.05014	6.9
84.02135	2.0
85.02946	2.7
87.00869	2.4
89.02438	4.5
93.03474	1.5
97.02961	4.0
101.02446	7.2
109.06590	23.9
113.02460	3.3
119.03501	1.8
121.06602	1.5
125.02451	2.5
125.09673	3.0
135.08154	3.4
139.99150	1.1
142.02675	1.2
144.60562	1.2
161.09763	1.5
163.11292	16.4
164.98634	2.2
165.12830	3.7
169.01421	1.2
171.10245	2.7
181.12303	5.7
185.11806	1.9
197.11819	2.7
199.31895	1.4
207.10266	60.5
208.10683	2.9
209.11832	100.0
210.12143	7.5
211.13359	1.5
225.11324	33.3
226.11646	2.4
227.12875	16.5
228.13260	2.1
231.10193	1.4
235.08134	4.2
249.11240	2.2
253.09355	10.0
273.17050	1.4
389.37610	1.2
399.21744	3.3
417.22778	4.8
431.86887	1.3
452.45868	1.3
461.20370	10.3
462.20728	1.6
635.30792	9.6
636.31256	2.0
653.31482	12.2
654.32397	2.2
671.32800	23.6
672.33514	9.2
703.29645	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	703.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78319	0.9
59.01382	10.2
61.15984	1.0
61.98826	4.4
69.03455	1.1
70.99097	1.9
71.01388	6.1
73.02949	1.1
80.02686	2.9
80.96510	1.0
81.03453	3.6
83.01348	1.0
83.05029	7.1
84.02180	1.4
85.02934	1.8
85.96915	0.9
87.00906	1.6
89.02430	3.6
95.05033	1.4
97.02964	4.8
97.06593	1.1
99.00893	1.4
101.02444	4.6
107.05029	1.1
109.06596	23.2
110.03719	1.0
113.02415	3.4
119.03496	1.0
121.06635	1.7
125.02428	1.1
125.09731	3.1
130.75775	1.0
135.08148	3.1
142.02695	2.1
143.03429	1.1
153.57993	1.0
161.04553	1.8
161.09677	2.1
163.11304	16.2
164.11496	1.1
165.12938	2.0
171.10223	1.5
179.10802	1.3
181.12323	3.5
185.11807	2.7
189.09302	1.5
191.10793	1.6
193.32547	1.0
197.11855	2.7
203.61446	0.9
207.10258	57.4
208.10623	4.6
209.11829	100.0
210.12169	5.5
211.13338	2.9
225.11336	26.1
226.11591	1.6
227.12888	14.4
235.08221	4.4
247.13329	1.1
253.09311	10.2
263.12653	1.0
299.14856	1.1
399.21765	4.4
417.22891	4.5
443.19284	1.6
461.20374	9.5
527.88080	0.9
635.30872	14.1
636.31201	2.4
653.31781	11.8
654.32336	2.2
671.32898	22.7
672.33032	3.2
703.28650	1.2
711.94727	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12557	0.8
57.03452	1.2
59.01388	1.9
61.17935	0.9
61.98826	1.2
78.95911	25.4
79.95750	1.6
96.96018	4.1
98.16313	0.9
98.19910	2.9
109.01381	0.9
110.98553	13.2
113.09760	2.7
131.02364	0.8
138.10223	1.0
152.99629	3.2
163.47299	0.9
167.01125	5.4
179.14484	1.3
195.13927	16.6
196.14207	1.3
211.10289	0.8
211.13493	0.9
255.23303	63.9
256.23642	8.8
269.25073	1.3
277.21768	13.7
293.21286	1.2
294.21616	2.1
295.22803	100.0
296.23199	8.0
405.24377	1.3
423.25104	6.8
463.25153	1.4
701.47656	38.2
702.48053	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	702.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
61.98830	100.0
67.18287	0.1
69.30202	0.2
71.01394	0.6
73.56290	0.2
78.95915	0.2
107.41624	0.2
124.10000	0.2
135.08234	0.2
171.10300	0.5
183.14044	0.2
197.11807	1.3
209.11806	1.0
211.13371	1.2
223.13425	0.3
225.11320	0.3
237.14966	0.3
238.15279	0.3
253.09329	0.3
399.87976	0.2
671.32922	1.7
703.35309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	2.1
55.85867	2.4
59.01375	6.1
61.98829	100.0
71.01384	10.1
71.50035	2.7
74.66489	2.3
78.95904	9.4
83.05012	3.4
89.02428	2.4
95.85312	2.3
101.02486	3.1
109.06583	6.2
129.12340	2.1
147.68855	2.4
152.48424	2.1
152.99585	2.8
157.08676	3.2
159.00517	2.1
163.11250	3.4
167.10719	2.3
171.10226	7.6
197.11801	9.3
201.11316	3.8
207.10257	14.1
209.11823	26.7
211.13411	11.7
223.13374	11.5
225.11311	9.9
227.12917	4.4
253.09334	4.6
255.23195	2.7
257.17676	5.6
273.17090	5.6
411.17755	2.5
437.95346	3.1
461.20471	4.6
479.07007	2.8
533.39453	2.9
649.32117	7.5
667.33002	7.3
671.33423	3.8
685.31244	3.7
703.31714	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	703.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35282	1.0
55.01851	1.2
57.03456	2.5
58.76073	0.9
59.01379	17.7
61.98833	8.9
64.21306	1.0
67.01909	1.1
69.03462	7.8
70.88366	1.1
70.88696	2.1
71.01382	16.4
71.05017	3.7
72.18301	1.0
73.02959	2.6
75.02561	1.0
78.67202	1.0
80.02701	1.9
80.96524	1.8
81.03455	3.9
83.01403	2.0
83.05025	5.9
84.02168	1.1
85.02946	4.0
87.00874	3.4
89.02452	6.6
93.03440	1.0
95.01374	1.5
95.05012	2.1
97.02954	5.7
97.06597	2.7
99.00879	2.5
101.02457	8.6
107.05099	1.3
109.06583	24.4
109.07274	2.0
110.03723	1.7
110.06934	1.4
113.02489	2.7
119.03526	1.2
121.06617	1.6
123.00881	2.3
123.08222	2.1
125.02431	2.9
125.09760	5.1
135.08176	3.1
136.05283	1.2
142.02698	2.3
145.10326	1.1
151.11279	4.5
155.38512	1.3
161.04556	4.0
161.09697	9.5
163.11276	12.9
169.01428	3.1
169.12308	1.1
171.10194	5.0
179.10776	19.2
181.12350	3.8
185.11836	4.2
189.09128	2.4
197.11826	100.0
198.12172	4.7
199.09727	1.6
207.10255	55.9
208.10646	3.5
209.11812	22.8
210.12163	2.0
210.62311	1.0
211.13419	1.9
216.58006	1.2
223.09822	2.8
225.11308	36.5
226.11707	2.6
227.12927	4.1
235.08215	4.2
241.10771	8.1
243.12462	1.2
253.09270	10.5
370.17624	1.1
405.22461	1.4
443.19131	2.9
443.97165	1.3
459.18665	4.6
461.20465	8.2
477.19730	10.2
523.25690	1.9
635.30841	2.4
641.32001	2.3
653.32324	1.6
659.29547	1.9
667.29681	2.0
671.32507	4.3
685.30725	38.5
686.31189	8.2
703.30798	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	701.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79028	0.4
55.01886	0.4
59.01376	2.4
59.76625	0.3
61.98826	0.7
69.77969	1.8
71.01366	2.1
78.95899	4.7
80.02657	0.6
83.05018	2.5
84.02213	0.3
86.05437	0.3
87.00867	0.5
87.94950	0.4
89.02458	1.8
95.05044	0.4
97.23587	0.4
101.02433	2.5
110.98540	3.5
113.02451	1.4
113.09727	0.7
119.03500	0.5
135.08188	0.4
145.05080	0.6
149.00079	0.3
152.99594	0.4
161.04549	1.2
163.11305	2.2
165.12804	1.3
167.01123	1.3
181.12244	0.5
182.99214	0.3
191.10805	0.6
195.13879	3.5
208.37503	0.3
209.11812	65.3
210.12164	4.1
227.12869	7.2
235.08180	4.2
253.09254	6.1
254.09422	0.4
255.23271	100.0
256.23596	9.4
270.49341	0.3
277.21671	2.8
277.49203	0.4
295.22766	19.9
296.23090	1.8
423.25208	1.5
445.20892	0.6
463.24994	0.4
491.32190	0.9
701.47656	7.1
702.47687	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	701.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28036	0.5
59.01362	0.6
61.98826	3.1
78.95904	18.5
79.39191	0.6
89.79274	0.5
110.98529	15.1
113.09718	3.0
140.32033	0.5
145.16238	0.6
152.99583	0.8
153.49568	0.8
159.46875	0.6
167.01140	6.7
171.10336	0.7
179.14386	0.7
188.93602	0.5
195.13899	14.0
255.23277	100.0
256.23621	10.9
256.80185	0.6
271.97696	0.6
277.21707	14.2
278.21896	0.8
279.23157	0.7
293.21185	1.5
294.21509	2.4
295.22769	93.6
296.23056	10.3
297.24228	1.1
405.24115	0.8
423.25171	6.7
424.25452	0.9
445.23529	0.9
463.24765	2.5
464.25122	0.9
465.26132	1.3
701.47601	39.5
702.48053	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	701.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61582	0.3
59.01374	2.4
61.98822	0.3
71.01376	2.0
73.02936	0.4
74.37549	0.2
75.00918	0.3
78.95907	1.2
80.02684	1.0
81.03459	1.1
83.01373	0.4
83.05023	4.8
84.02164	0.5
85.02957	0.7
87.00883	0.5
89.02436	1.8
95.05025	0.6
98.19921	0.6
101.02442	2.0
109.06591	0.5
110.98534	0.5
113.02448	1.4
115.11839	0.2
119.03529	0.3
125.06094	0.6
127.11428	0.3
131.06921	0.2
132.01915	0.3
135.08176	0.3
143.03510	0.5
147.11818	0.3
161.04564	1.4
163.11284	3.7
165.12801	2.3
165.65182	0.2
167.01212	0.3
167.74236	0.3
169.35268	0.3
179.05606	0.7
181.12350	0.5
191.10785	0.7
195.13916	0.6
201.11479	0.3
209.11818	100.0
210.12158	6.2
227.12866	10.0
228.13228	0.6
235.08188	1.6
253.09274	6.4
255.23280	60.1
256.23624	5.7
266.22150	0.3
277.21811	0.8
295.22766	4.8
296.23239	0.4
354.04352	0.3
374.52377	0.3
445.20755	1.0
449.41547	0.3
467.03851	0.3
548.98267	0.3
701.47845	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	701.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73603	0.3
52.49361	0.3
59.01380	6.2
61.98832	2.1
70.17595	0.3
71.01378	2.0
73.02950	0.5
78.95908	1.0
83.04993	0.3
85.02958	0.3
86.06645	0.3
88.98791	0.3
89.02423	1.7
98.19835	0.5
101.02425	1.5
109.60292	0.3
111.03807	0.3
111.08183	0.3
113.02427	1.0
119.03489	0.3
125.02435	0.5
145.05061	0.3
152.99593	0.8
155.19089	0.3
161.04550	0.8
164.88632	0.3
167.14407	0.5
169.01431	0.5
169.12357	0.3
171.10272	8.1
172.10626	2.8
173.10764	1.1
179.05666	0.3
183.12407	0.5
183.13889	5.6
184.14221	0.4
193.12347	1.9
197.11818	1.2
198.12131	0.3
209.11812	1.1
211.13387	100.0
212.13731	6.5
224.52823	0.3
229.14203	0.3
235.08275	2.1
253.09277	4.6
291.19714	0.4
292.19882	0.4
293.21082	0.3
295.22791	0.5
309.20694	1.0
310.21017	1.2
311.21832	0.8
344.39236	0.3
405.26617	0.3
429.21335	1.2
447.22327	7.1
448.22754	0.5
623.34546	1.0
624.34344	0.4
641.35663	0.6
701.37250	0.4
702.39630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.3
56.40088	0.2
57.03444	0.2
59.01373	2.0
61.63957	0.2
71.01377	2.8
72.99273	0.3
73.02943	0.7
78.95886	0.9
80.02661	0.4
81.03471	0.5
82.92387	0.2
83.01372	0.6
83.05025	2.4
84.02175	0.4
84.51151	0.2
85.02952	0.8
86.00072	0.2
87.00878	0.8
89.02454	1.6
95.05042	0.3
97.02959	0.3
101.02438	2.1
101.11526	0.2
104.64034	0.2
110.98543	0.5
113.02441	1.4
119.03517	0.6
123.74286	0.2
125.06064	0.4
133.05063	0.3
135.08139	0.4
143.03474	0.2
145.05049	0.8
152.99533	0.3
161.04568	1.4
163.11284	2.5
165.12860	1.2
179.05576	0.4
181.12357	0.4
191.10770	0.5
195.13869	0.6
209.11827	59.9
210.12183	3.7
211.13222	0.2
217.07387	0.2
227.12878	6.7
228.13121	0.3
229.12317	0.2
235.08229	6.4
236.08540	0.4
237.22168	0.2
253.09302	6.8
255.23293	100.0
256.23642	8.5
277.21664	0.5
295.22787	3.5
296.23093	0.3
445.20874	0.4
491.32336	0.7
609.76007	0.2
670.40308	0.2
701.46991	1.1
702.46906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40319	1.1
59.01372	7.5
61.98829	52.5
71.01369	6.9
71.50602	1.7
73.02950	1.7
78.95894	3.7
80.96522	1.4
81.03473	1.2
83.05022	5.2
85.02962	1.6
88.09826	1.3
89.02444	5.2
101.02464	5.6
105.61839	1.2
111.08131	2.9
113.02441	3.1
125.02452	1.5
161.04488	1.9
163.11351	2.9
165.12766	1.7
167.10777	2.0
169.01381	1.7
169.12372	7.6
171.10257	15.2
172.10574	3.9
173.08243	2.2
176.09018	1.2
179.10602	1.5
179.14397	3.1
195.13884	8.0
197.11829	8.8
198.12274	1.6
205.12375	8.8
207.10236	1.8
209.11832	100.0
210.12175	5.8
211.13422	4.2
223.13390	77.9
224.13751	5.1
227.12901	14.1
235.08217	5.3
253.09248	13.4
255.23235	5.6
294.53735	1.6
295.22772	4.9
310.21103	1.7
311.22101	1.7
406.39856	1.3
445.20572	1.5
459.22366	10.4
611.34033	1.8
669.31555	5.5
670.31787	2.4
701.35217	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	701.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.5
61.98826	23.3
65.99845	4.7
78.95914	17.7
82.02972	14.4
109.65504	2.2
110.98495	5.5
117.50815	2.0
125.02451	5.0
127.78831	2.3
136.04041	4.6
152.03523	28.0
152.99571	6.8
166.05154	3.4
167.01123	3.3
169.01436	6.4
171.10248	7.1
176.21272	2.6
188.00325	2.3
194.08165	4.4
195.13860	6.8
229.49425	3.1
247.61118	2.6
255.23276	53.6
256.23587	4.6
277.21902	5.6
289.86963	2.1
293.21375	5.2
295.07321	2.2
295.22791	42.4
370.11942	3.7
395.19055	2.8
437.16046	2.4
453.19867	2.6
461.09320	2.5
478.90366	2.8
491.20651	3.4
619.22095	4.2
641.26135	5.3
651.24658	48.7
652.25031	8.6
669.25616	4.7
701.15894	5.2
701.28326	100.0
701.47070	20.2
702.28644	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.4
61.98840	28.3
68.11626	3.3
71.01385	9.4
71.50134	5.8
72.30764	3.2
78.95904	8.3
86.04987	3.7
91.20103	3.2
101.02433	5.7
116.50373	3.5
121.22581	4.3
128.97093	3.7
149.60542	3.6
152.99579	5.6
171.10266	100.0
172.10558	6.0
181.12302	5.5
197.11856	4.6
207.10210	5.1
209.11781	6.9
211.13440	25.0
223.13385	9.1
225.11269	11.6
235.08165	4.2
253.09229	15.5
255.23314	4.7
293.21222	9.4
295.22836	17.3
311.22266	54.3
568.09003	4.8
701.34363	5.1
702.40112	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	700.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
59.75351	0.1
61.98829	100.0
69.42206	0.3
69.42616	0.6
71.01392	0.4
78.95893	0.2
85.02942	0.1
89.02460	0.2
101.02470	0.2
111.08167	0.2
119.03518	0.1
123.00882	0.1
125.02479	0.2
161.04605	0.1
169.01407	0.3
169.12289	0.1
171.10252	4.9
171.49089	0.1
172.10606	1.5
181.12358	0.1
197.11806	1.2
198.12259	0.2
207.10309	0.3
209.11916	0.6
211.13474	0.3
225.11443	0.3
227.13007	0.2
235.08324	0.3
237.15071	0.2
253.09343	0.5
254.09727	0.2
255.30504	0.1
291.19815	0.4
292.20135	0.4
305.23929	0.1
309.20731	1.0
310.21057	0.8
337.19650	0.2
404.53671	0.2
404.58487	0.1
622.32483	0.1
646.89264	0.1
679.38397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29302	0.4
59.01384	0.7
61.98832	100.0
62.99282	0.3
70.45949	0.4
70.97429	1.0
71.01416	0.5
76.34470	0.4
76.39567	0.4
78.95901	0.5
83.05059	0.6
101.02485	0.5
110.66956	0.4
110.98566	0.5
139.79184	0.4
161.04610	0.4
209.11824	11.0
209.13779	0.6
210.12186	1.4
226.11563	0.5
227.12978	1.5
235.08218	1.0
253.09300	1.4
253.21725	4.6
254.22113	3.6
255.23306	11.6
277.21765	0.9
295.22876	1.6
419.66098	0.5
701.46552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79594	2.9
59.01382	42.6
59.85162	2.6
67.63104	2.7
70.04068	6.4
70.04460	5.6
71.01386	36.4
73.02944	7.6
73.09570	2.9
79.51505	3.3
85.02946	7.1
87.00882	9.6
89.02442	51.7
92.92776	3.3
101.02444	40.8
108.90199	15.5
110.89852	4.2
113.02438	17.9
119.03516	9.9
125.02431	5.2
128.89206	4.3
130.88922	6.4
131.03513	4.2
143.03491	9.3
161.04550	5.6
169.37524	3.0
179.05627	37.3
203.05571	4.8
221.06621	11.0
341.10919	26.3
383.11920	63.5
384.12207	5.0
443.14047	14.6
456.60114	3.3
485.15063	10.6
503.16052	5.0
522.79956	2.9
539.13947	6.9
566.93304	3.1
665.21490	100.0
666.21735	14.1
701.19287	38.9
702.19635	5.8
709.94965	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	701.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01733	1.1
61.98831	1.1
65.85428	0.4
76.35176	0.5
78.95931	1.1
87.82377	0.4
98.19866	1.0
169.01501	0.8
195.13913	0.8
204.87665	0.5
255.23251	6.0
277.21817	0.6
295.22733	3.9
322.11563	0.6
437.12311	1.3
438.13531	3.0
439.13699	1.1
451.14233	0.9
452.14926	1.6
453.15292	0.6
455.10205	1.1
459.34921	0.6
467.13730	0.7
479.14880	0.5
480.14536	1.1
481.15140	29.7
482.15469	8.4
495.16769	11.1
496.17371	3.3
497.18286	6.4
498.18365	1.5
514.14966	3.3
523.16010	0.7
525.14288	0.8
528.16827	0.7
538.89227	0.5
539.15729	2.2
540.16602	7.4
541.16632	1.7
553.17181	0.9
554.18121	3.2
555.18854	64.3
556.19116	16.6
556.27771	0.9
567.18738	1.1
572.15479	14.9
573.15631	2.9
582.33368	0.5
586.16974	6.7
587.17578	1.3
597.27155	0.5
609.19800	1.4
627.21191	1.6
628.21783	0.6
641.12970	0.4
641.22491	29.8
642.22766	8.6
701.24646	65.9
701.47949	1.7
702.24884	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	700.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64259	1.3
53.40506	1.3
57.03451	4.1
58.02972	9.6
59.01378	3.0
70.02959	7.1
71.01389	2.9
71.51968	1.7
72.00922	2.1
73.82306	1.2
81.03448	1.7
83.01373	2.8
89.02415	1.4
91.05521	1.9
93.03445	2.5
96.95997	1.6
97.60958	1.5
102.05673	1.6
107.01415	2.0
111.06998	1.7
117.03462	1.8
121.02966	3.4
123.00914	2.1
124.07681	1.6
125.02448	44.7
137.02454	2.5
147.04515	19.2
148.04990	1.4
149.02420	5.3
151.00366	11.3
152.01123	2.6
152.07162	14.8
153.01961	4.3
164.07150	40.8
165.01918	13.5
165.07492	2.3
169.01410	3.3
173.06068	2.4
178.99893	11.4
179.03490	1.9
201.05501	1.4
206.08203	67.2
207.08502	3.0
213.05443	1.7
215.07161	2.4
225.05589	2.3
241.05099	2.8
243.06606	3.4
259.06091	50.1
260.06372	5.4
269.04529	41.8
270.04950	4.0
277.62454	1.5
287.05603	20.3
288.06009	2.0
378.86417	1.5
391.86990	1.5
421.11530	1.7
431.09833	4.2
449.10843	100.0
450.11292	10.7
456.17615	1.4
489.37302	1.4
495.12097	1.6
597.23199	1.4
601.90051	1.6
616.16187	1.3
618.84143	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	699.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79418	0.2
51.56157	0.2
55.01882	0.3
57.03438	0.6
59.01103	0.4
59.01372	2.9
59.50781	0.2
61.98824	1.0
65.49632	0.2
69.03455	0.7
69.03840	0.2
71.01376	2.8
71.50059	0.3
73.02950	1.0
78.95912	0.4
79.50579	0.2
82.85349	0.2
83.01401	0.2
85.02957	1.0
87.00883	0.8
89.02444	3.1
91.04002	0.3
95.01385	0.4
97.02953	0.5
99.08166	0.2
101.02435	3.0
103.98573	0.2
108.59723	0.2
109.06596	0.3
111.08158	4.7
113.02454	1.5
119.03485	0.7
123.08139	0.4
125.02467	0.5
125.09716	1.5
127.07651	0.3
127.11282	1.9
133.05086	0.4
136.04070	0.2
137.09763	0.4
143.03424	0.3
145.05092	0.5
151.11313	0.4
153.09227	0.7
161.04550	1.3
163.11383	0.3
165.12840	0.3
169.01471	0.3
169.12334	1.9
171.10269	100.0
172.10596	4.9
179.05618	0.5
179.10767	0.3
181.12297	0.5
183.13794	0.3
187.09666	0.4
191.14462	0.3
197.11832	22.1
198.12227	1.2
199.13371	1.1
209.11842	0.8
211.13400	3.5
223.13297	0.3
227.12897	0.9
235.08224	4.1
247.20670	0.5
253.09286	11.0
254.09535	0.5
257.64471	0.3
263.20187	1.3
265.18130	0.6
273.18781	0.6
291.19662	14.1
291.37689	0.2
292.20007	1.1
293.21265	0.5
309.20703	29.8
310.21075	2.6
407.19339	1.3
433.20596	0.5
463.30664	0.3
527.28931	0.3
545.29510	0.6
700.38904	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
57.03457	0.4
58.00589	0.4
59.01377	3.6
61.98831	0.7
69.03461	0.4
71.01381	3.9
73.02947	1.0
78.95889	0.6
81.79218	0.3
83.01415	0.6
83.05041	0.5
85.02930	0.7
87.00868	0.9
89.02441	3.0
97.02947	0.4
97.06605	1.5
98.19765	0.5
98.23579	0.3
101.02429	3.1
111.08166	5.0
113.02431	2.0
113.06123	0.3
119.03466	0.6
123.08138	0.9
125.02445	0.7
125.09718	9.4
126.79247	0.3
127.11318	1.8
133.05116	0.3
137.96837	0.3
141.51317	0.3
143.03514	0.7
145.05017	0.7
148.64410	0.4
153.09215	0.9
153.12860	0.5
161.04555	1.3
169.01433	0.8
169.12367	2.4
171.10268	100.0
172.10611	5.0
179.05634	0.6
181.12337	0.7
183.13826	0.4
187.09767	7.0
188.10179	0.5
193.12268	0.4
195.13795	0.4
197.11823	23.9
198.12224	1.0
199.13367	1.7
209.11850	0.7
211.13376	3.5
235.08223	4.4
253.09282	13.6
254.09727	0.5
255.23222	0.4
263.20242	2.0
273.18655	0.6
287.07776	0.3
291.19669	12.3
292.20047	1.1
293.21198	1.2
309.20694	30.3
310.21078	2.5
312.82303	0.3
405.17480	0.6
407.19113	2.0
412.83527	0.3
414.40802	0.3
423.18631	1.5
463.30582	0.5
470.04980	0.3
524.05188	0.4
527.28564	0.7
545.29749	0.6
699.39624	9.7
700.39490	2.0
710.83319	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82236	0.4
55.87003	0.3
61.98832	100.0
72.54613	0.3
78.95935	0.5
98.19929	0.8
98.89223	0.3
172.06580	0.3
255.23386	0.6
293.21344	1.0
378.14935	0.3
628.99298	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.1
60.99304	7.3
61.98821	1.7
71.00011	2.5
71.01382	1.7
73.02974	0.9
84.81065	0.9
88.98814	27.9
90.54123	0.9
92.96470	0.9
96.95399	1.0
96.96023	20.9
96.96626	1.9
97.61494	0.9
100.25317	0.9
107.01396	1.7
116.34495	0.9
125.02454	2.7
151.00362	4.0
163.00340	1.1
169.01434	4.2
178.99857	2.4
181.12256	1.1
226.02620	1.0
227.03539	2.3
243.03012	8.4
254.02206	1.9
255.02995	23.1
256.03336	1.5
270.77728	0.9
271.02469	44.4
272.02960	3.6
299.01984	2.4
300.02762	97.4
301.03287	9.4
468.54672	1.8
588.84967	0.9
609.14606	100.0
610.14917	16.7
699.38086	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	699.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31323	1.0
54.88336	0.8
58.21952	0.8
59.01362	3.4
60.99287	4.9
61.98824	1.3
71.01395	1.4
71.51524	1.3
88.22423	1.0
88.98813	26.1
89.02443	1.4
90.30997	0.9
96.96011	24.6
116.82500	0.9
121.02955	1.1
123.00833	1.6
125.02453	5.6
131.07802	1.0
143.70694	1.0
148.01642	1.8
151.00349	3.9
153.01808	1.0
153.90649	1.1
161.61382	1.0
169.01405	5.2
178.99817	2.3
211.02457	1.0
216.04308	1.1
226.02797	1.6
227.03406	1.7
243.02942	7.9
254.02161	1.1
255.02969	19.8
256.03348	1.2
264.59201	1.1
271.02463	47.0
272.02905	3.9
299.01859	1.6
300.02740	100.0
301.03214	11.4
325.03696	1.0
468.54886	4.8
597.05426	1.0
609.14594	84.7
610.15063	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	698.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33185	0.2
59.01355	0.3
71.99677	0.2
97.82143	0.2
101.02435	0.2
116.05051	2.7
116.19856	0.2
117.05386	0.2
121.02993	0.3
125.02435	0.8
132.04581	0.3
159.03265	0.5
160.04034	100.0
161.04393	5.0
169.01405	1.7
191.05659	0.5
202.77362	0.2
204.03032	3.9
228.97711	0.2
331.06625	0.8
335.13733	0.3
355.10376	0.5
356.10620	0.4
366.08267	43.6
367.08603	3.6
393.77271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53902	0.5
59.01379	2.0
61.98833	100.0
71.21195	1.2
78.95924	1.3
80.96526	1.8
81.16386	0.7
92.16997	0.6
96.48650	0.5
97.02991	0.7
108.72093	0.6
109.06614	0.6
125.02455	1.1
148.19061	0.6
152.98679	0.5
153.21130	0.6
169.01485	0.9
173.52002	0.6
207.10284	3.2
225.11401	1.5
225.44217	0.6
231.18776	0.6
255.23302	6.9
469.55618	0.7
698.39990	0.9
699.44116	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	697.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14454	0.5
59.01380	100.0
60.01708	0.9
61.98819	4.2
64.32738	0.6
69.95840	2.8
71.01385	0.7
78.95916	0.8
100.37232	0.5
101.02486	0.8
107.01408	0.9
121.02967	1.9
123.00865	0.8
125.02457	8.2
125.09750	1.1
126.02813	0.8
166.99911	1.1
169.01408	10.8
171.10258	15.9
172.10599	0.9
185.11909	0.9
191.03490	1.0
209.04605	2.4
209.11809	1.4
211.13495	1.0
222.09290	0.6
245.18988	0.7
253.09436	1.4
289.18088	6.2
307.19070	3.1
469.05154	15.7
469.55362	6.2
470.05649	1.3
597.49719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
66.37306	1.8
69.27803	12.3
69.28219	3.7
71.01389	5.4
73.91756	1.9
76.29031	1.9
82.34298	2.0
85.02942	2.0
85.40465	2.0
91.46088	1.8
91.46673	1.7
92.46713	1.9
97.50558	2.0
98.20612	3.3
99.49190	1.8
107.01413	6.4
113.02458	2.4
123.00899	7.1
124.01704	2.7
125.02453	46.8
139.00333	2.5
141.63190	2.0
151.00357	5.6
168.00562	2.8
169.01421	65.1
193.01349	3.5
211.02435	3.3
295.04565	2.3
297.06088	2.9
313.05640	26.3
335.50116	1.9
415.90836	2.1
465.06726	100.0
466.07285	10.5
483.07413	2.8
635.08887	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	694.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
61.75552	0.8
61.98822	2.2
68.23950	0.9
78.95904	23.5
80.02666	2.0
81.03466	1.6
83.05024	10.4
84.02177	1.6
92.32289	0.8
95.05022	0.9
98.20858	1.6
117.14187	1.0
122.00146	1.5
125.06082	1.2
127.33887	0.8
130.65576	0.9
135.08165	1.5
140.01186	7.7
143.39742	1.0
152.99588	4.8
157.08662	1.3
163.11298	8.0
165.12872	4.6
171.10333	2.6
191.10820	1.7
196.03802	4.7
197.11732	1.6
199.13391	6.5
209.11819	100.0
210.12123	6.3
227.12885	29.5
228.13237	1.8
255.23291	60.9
256.23581	4.7
277.21732	6.3
278.22025	1.1
436.79254	1.1
452.27466	5.3
459.16626	1.5
503.96091	1.1
573.90759	1.0
662.40594	18.2
663.40723	4.6
694.43048	52.4
695.44379	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	695.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82927	0.5
57.75396	0.4
59.01379	100.0
60.01704	0.7
61.98841	1.0
63.79509	0.4
78.95905	14.6
80.96516	1.1
98.20664	1.1
138.10574	0.5
149.00107	0.5
152.99561	1.2
159.65529	0.5
199.09851	0.7
205.15938	1.7
239.52904	0.6
255.23213	0.8
277.21704	0.6
366.33505	0.5
458.18021	0.6
627.54840	0.5
695.30981	54.0
696.31372	12.8
698.24323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54457	1.2
58.19799	1.2
59.01385	2.3
61.98813	5.3
65.00318	4.5
66.34086	1.3
68.56251	1.2
69.35571	6.9
69.35995	3.5
71.01350	2.4
85.02953	1.5
86.77194	1.2
93.03471	2.5
94.94480	1.3
96.95999	2.1
97.02937	4.3
98.20690	2.4
109.02948	2.6
121.02947	16.0
123.00854	1.9
125.02486	6.6
149.99561	1.4
151.00385	3.0
165.01936	46.0
166.02209	2.0
168.00565	1.3
169.00278	1.0
169.01463	9.1
193.01476	9.3
201.11290	2.0
209.11880	6.0
227.03404	1.7
227.12878	2.9
228.04196	1.6
255.02927	1.6
259.05908	1.6
269.04221	1.5
271.02454	5.0
284.03165	1.8
285.03677	1.4
287.05368	1.6
300.02744	10.7
313.05731	2.1
315.05106	100.0
316.05450	8.2
367.24704	2.5
526.46008	1.4
629.11432	16.7
630.12134	2.1
691.35535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.4
61.98830	26.5
71.01385	2.8
78.95905	100.0
83.05028	1.7
85.87541	0.8
94.35364	0.8
94.62601	0.9
96.96978	8.9
113.09654	1.1
134.98544	1.9
152.99583	56.3
163.11330	1.8
169.12318	0.9
179.14395	0.9
194.78905	1.0
195.13904	10.6
197.11726	1.8
209.11821	26.8
210.12169	2.5
211.13393	11.9
227.12967	4.7
229.37709	1.4
245.85629	0.9
277.21707	8.6
278.22083	1.1
293.21091	2.8
295.22778	35.3
296.23132	2.4
311.22198	2.8
347.12512	1.6
363.12112	7.1
379.15253	2.7
381.13260	1.2
390.34012	0.9
395.14780	4.1
431.21991	20.9
432.22351	2.8
447.21619	5.3
449.23010	7.0
488.89902	1.2
659.35608	41.4
660.35718	7.1
691.38226	23.9
692.38379	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	691.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47830	0.9
58.89893	0.9
68.70863	0.8
69.53915	0.9
69.63401	2.7
69.63815	2.6
78.95901	45.9
80.02702	2.1
81.03463	2.2
83.05027	9.9
84.02161	2.1
95.05003	1.0
96.72689	0.8
96.96946	3.7
104.89983	1.1
114.25667	0.8
122.17337	1.1
123.67406	1.0
130.61699	1.0
132.01067	0.9
135.08109	1.5
152.99582	62.9
163.11311	6.4
165.12796	4.1
171.00653	6.1
171.10226	0.9
181.12308	2.1
191.10771	1.2
199.13318	1.3
209.11818	100.0
210.12126	5.4
222.10556	0.9
227.03191	3.8
227.12880	11.9
247.05956	0.9
253.21718	23.2
254.21828	1.2
255.23222	1.0
363.12152	7.6
402.20880	1.1
428.14136	1.1
430.42599	1.0
437.15704	8.0
454.15274	1.1
455.16852	97.3
456.17361	9.6
536.39917	1.2
691.38257	68.2
692.38446	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	691.3551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86608	0.5
58.00624	0.6
58.04550	0.4
59.01376	2.3
59.99826	0.5
61.19290	0.5
61.98829	1.4
68.88187	0.5
69.58593	3.5
71.01379	3.5
80.02670	0.7
81.03458	1.1
83.05025	3.0
84.02188	0.8
85.02964	0.9
87.00867	0.6
89.02448	1.7
95.05024	0.5
98.20670	0.6
101.02457	2.2
113.02420	0.7
120.38868	0.5
124.72702	0.6
125.02462	1.3
125.06120	0.7
125.09697	1.0
127.11279	1.3
152.01169	0.6
155.10849	1.0
161.04565	1.2
163.11299	3.4
165.12856	1.8
169.01440	2.5
171.10289	2.4
172.10655	0.7
191.10770	1.0
201.11324	23.4
202.11658	0.8
206.69659	0.5
209.11833	100.0
210.12190	8.5
225.11423	0.8
226.11581	1.0
227.12897	13.8
228.13200	1.4
235.08174	2.6
252.64255	0.6
253.09302	10.2
437.20462	0.9
445.20633	1.8
691.18353	0.8
692.60791	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Cherimolacyclopeptide C
Peak:m/z	Relative Intensity
50.12664	1.6
50.79979	1.5
51.84948	1.8
54.96542	1.7
57.03428	2.2
59.01374	17.3
61.67225	1.5
61.98833	40.7
69.03440	2.0
70.65593	1.7
71.01383	27.5
71.51793	3.4
73.02926	3.2
78.95894	5.6
80.02653	1.7
81.03458	2.4
83.05038	9.5
85.02943	6.4
87.00874	3.3
88.98792	1.9
89.02444	7.2
96.95997	4.4
97.02957	2.1
97.06582	8.5
99.00874	3.0
101.02447	10.4
113.02459	5.3
119.03530	1.8
120.96083	1.5
123.00895	1.6
125.02389	2.5
125.09740	2.8
127.11308	2.5
151.11292	30.9
161.04550	4.7
163.11264	6.7
165.12842	6.8
169.01421	6.6
169.12346	90.6
170.12682	3.3
171.10312	9.2
172.10695	2.4
173.04565	1.7
183.13914	51.8
184.14246	3.9
185.11818	5.8
187.14253	1.9
195.29419	2.2
197.11807	7.5
198.12198	2.1
199.13361	5.0
201.11304	19.5
207.10280	8.4
209.11819	92.6
210.12184	11.2
211.13458	8.0
213.11322	15.4
225.11333	9.2
226.11713	2.3
227.12930	27.5
228.13289	2.4
235.08218	6.0
243.12346	2.9
245.14021	9.8
253.09283	12.0
253.80508	1.8
303.69556	2.0
449.20483	5.5
463.21622	3.1
481.22769	7.4
482.23672	2.8
493.35965	1.7
494.05811	1.8
525.45062	1.6
637.32416	5.6
641.31708	3.0
647.32837	15.8
648.33344	2.4
655.33081	3.3
659.32819	35.9
660.33002	6.2
673.34424	32.4
674.34479	4.1
691.35443	100.0
692.35748	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81027	0.7
55.01870	0.9
57.03448	1.8
57.24493	0.7
57.80545	0.7
59.01384	5.9
61.98823	2.2
71.01385	7.8
72.48481	0.8
73.02953	1.8
74.70921	0.6
78.76404	0.7
80.02657	1.5
80.27699	0.6
81.03451	1.6
83.01396	1.3
83.05030	5.2
84.02160	0.7
85.02956	1.1
87.00873	1.2
89.02433	3.5
95.05000	1.0
97.06581	5.1
98.19930	1.8
101.02454	4.9
109.06583	1.1
113.02452	2.0
118.56269	0.9
125.09696	1.2
140.02217	0.9
145.05019	1.2
151.11288	15.5
161.04526	1.3
163.11305	5.0
165.12846	2.6
169.12343	77.4
170.12721	4.4
171.10211	2.9
179.05424	0.9
183.13953	0.8
191.10799	0.8
195.10266	3.4
201.11218	0.8
207.10277	0.9
209.11818	62.8
210.12183	3.2
211.13394	2.9
213.11310	10.1
227.12903	4.8
235.08215	2.2
237.43271	0.8
253.09239	6.1
368.57742	0.8
380.58691	0.8
431.19165	2.4
449.20187	6.0
449.83051	0.8
603.77197	0.8
641.31647	1.8
659.32843	100.0
660.33179	22.8
691.35089	7.3
692.36609	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	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
57.03429	0.8
58.00590	0.7
58.34772	0.4
58.72866	0.5
59.01383	19.3
61.98820	2.2
69.03442	1.0
69.33269	1.6
69.33695	2.3
71.01382	17.9
72.99288	1.3
73.02953	2.4
75.00882	0.6
81.03449	0.5
82.29395	0.5
82.72571	0.4
83.01373	1.4
85.02962	2.5
85.72553	0.4
87.00866	2.9
89.02448	12.8
89.03000	0.7
95.01403	0.4
96.95976	0.4
97.02954	2.1
98.20618	0.7
99.00861	1.0
101.02441	11.1
113.02449	5.5
119.03509	3.8
125.02441	3.2
128.03265	0.4
131.03526	0.6
143.03481	2.3
149.04591	0.5
161.04552	2.6
163.11263	0.8
167.10718	0.5
169.12372	0.8
171.10257	4.1
172.10638	0.6
179.05591	3.2
179.14410	0.9
185.11771	0.7
195.13889	6.7
196.14534	0.6
199.09758	1.2
199.13329	0.6
200.80861	0.4
201.11328	1.5
205.12444	0.7
205.15990	0.6
207.10289	1.4
209.11838	2.8
210.12149	0.6
211.13405	7.1
212.13823	0.8
221.06680	0.9
223.13445	5.4
225.11284	1.5
227.12912	0.7
227.85173	0.4
228.13707	0.6
235.08217	3.5
253.09361	2.0
256.13144	1.3
261.40848	0.5
263.07489	0.5
275.20184	4.3
287.07773	0.5
293.21228	100.0
294.21561	10.4
397.13492	20.8
398.13766	1.6
415.14578	24.5
416.14908	1.9
455.42087	0.5
569.13641	0.5
652.98993	0.5
654.28040	0.8
691.35352	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	691.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22715	5.9
52.71823	6.5
55.98336	6.5
59.01382	12.9
61.98826	69.1
69.79513	36.4
71.01389	19.8
78.95910	100.0
88.98790	10.1
89.02452	10.1
91.81521	6.0
96.96967	13.5
101.02450	16.4
103.18058	6.9
109.06631	16.7
113.02518	8.2
119.45251	6.3
152.99567	27.6
163.11296	13.3
169.01384	8.0
171.10248	17.5
183.13991	12.3
201.11334	7.1
207.10297	42.7
209.11867	37.1
210.12195	16.5
211.13423	90.5
212.13774	9.1
225.11218	34.0
227.12572	7.1
235.08224	9.9
239.62312	6.8
253.09286	17.0
293.21097	8.3
311.22345	7.6
379.11841	8.1
385.97357	8.7
401.23315	15.8
447.21643	23.8
637.32373	46.9
655.33423	40.0
656.33063	7.2
691.33777	38.0
692.34357	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	691.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83445	3.3
54.03468	3.4
57.03442	3.9
59.01373	25.5
61.98841	56.1
66.70263	3.5
71.01383	36.8
71.52311	6.4
72.99300	3.9
73.02941	6.6
76.57426	3.9
78.70644	4.0
78.95914	7.3
83.01383	4.1
83.05032	5.8
85.02954	4.8
87.00889	5.6
89.02433	14.6
95.05028	3.5
96.96021	9.2
97.06639	6.4
99.00871	5.1
101.02446	14.2
109.03053	3.5
109.06602	13.0
113.02423	7.2
123.00869	5.5
125.02441	14.8
125.09757	10.6
130.96672	3.8
151.11316	10.4
163.11305	9.8
165.12755	7.4
166.43581	3.7
168.00487	4.1
169.01405	15.7
169.12300	24.0
171.10254	31.1
179.05600	4.1
181.12456	6.8
183.13916	47.5
185.11749	10.3
195.10146	3.8
197.11812	12.5
199.09790	4.7
199.13387	12.5
201.11343	38.7
207.10295	25.7
209.11845	100.0
210.12135	15.9
211.13417	40.9
225.11339	23.7
226.11740	4.3
227.13031	25.8
235.08237	6.4
253.09320	18.4
254.09866	4.1
263.01215	3.6
344.42355	4.0
383.21967	4.6
401.23328	12.3
419.24097	6.2
461.19980	8.7
493.35300	17.6
546.97961	4.6
619.31268	12.2
629.30865	5.0
637.32202	74.8
638.32251	12.1
647.33008	23.8
655.32666	41.5
656.33624	6.4
659.32715	30.2
673.34393	34.1
674.34790	9.2
688.58569	4.6
691.34955	37.2
692.35254	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	691.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	2.7
59.01384	30.5
61.98823	16.9
71.01385	75.1
73.02967	5.2
73.84111	2.3
78.95906	8.0
81.03457	2.9
83.05039	3.7
85.02959	5.6
87.00883	4.2
89.02435	10.4
98.19924	8.6
99.04481	2.7
101.02435	15.1
107.69379	2.5
107.93049	2.4
109.06599	10.2
112.85725	2.7
113.02460	7.3
119.03496	4.4
125.02489	4.1
125.09710	5.7
127.11298	2.6
129.41028	2.7
135.08273	2.4
139.11330	2.3
151.11259	3.3
152.99625	2.6
161.04510	3.7
163.11241	6.2
164.11580	3.3
169.01462	2.7
169.12320	10.1
171.10281	59.1
172.10561	3.8
179.05531	3.6
181.12329	3.5
183.13860	9.7
185.11826	7.7
197.11801	5.0
199.09758	10.2
199.13409	4.9
201.11282	15.3
207.10233	25.1
209.11850	31.2
210.12105	3.4
211.13396	100.0
212.13704	6.5
225.11328	20.3
226.11623	3.5
227.12849	8.9
229.61742	2.9
235.08165	7.3
235.16884	2.9
253.09229	15.3
275.20081	5.5
293.21164	11.3
313.18396	2.8
383.22443	6.8
397.13312	8.8
401.23270	13.6
419.24139	6.0
447.22491	4.9
461.20264	6.2
469.33142	16.9
609.32800	6.3
619.30957	9.2
637.32330	43.9
638.32361	9.7
655.32892	23.1
659.32788	18.9
673.33789	5.0
691.35760	17.8
692.34930	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	691.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.4
59.01378	2.0
65.00311	0.3
67.01865	0.4
68.99780	0.3
71.01376	2.1
71.51903	0.4
72.99300	0.4
79.01891	0.8
83.01380	0.5
85.02949	0.9
89.02439	0.4
95.01388	1.1
97.02927	0.5
101.02435	0.8
107.01387	2.7
110.00169	0.3
111.00858	1.6
113.02435	0.7
113.63607	0.3
123.00889	9.3
124.01649	0.8
125.01529	0.6
125.02451	11.4
126.02772	0.4
127.00430	0.4
136.98808	0.8
138.06859	0.6
139.00372	3.2
140.01160	2.4
141.01906	0.9
151.00385	6.7
153.01883	0.7
153.09241	1.7
163.04031	0.4
168.00638	2.3
169.01427	13.9
170.01848	0.4
171.17882	0.3
181.05139	0.4
211.02397	1.5
225.14896	0.6
262.77332	0.3
271.04556	1.7
285.04187	1.4
286.04388	0.9
287.04681	0.7
313.05600	1.5
409.11176	0.3
421.35635	0.3
539.21301	100.0
540.21667	14.8
691.22571	1.3
691.34894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01835	0.6
59.01368	1.8
67.01883	0.9
69.03453	1.1
69.65114	2.7
71.01371	2.7
72.99314	0.8
73.02932	0.6
79.01902	1.1
81.03413	0.6
83.01376	1.4
85.02951	1.1
91.36244	0.5
94.55994	0.5
95.01404	2.6
97.02946	1.9
99.00894	0.5
101.02448	1.2
107.01392	8.8
110.00088	0.8
111.00866	3.5
123.00883	13.1
124.01715	2.6
125.02447	40.5
126.02751	1.4
127.00357	1.1
136.98793	2.4
137.02406	0.7
138.06865	0.6
139.00385	6.3
140.01157	3.9
141.01881	1.9
151.00365	7.8
153.01909	1.2
153.09196	1.3
161.02415	0.6
163.03995	0.8
165.01874	0.9
166.99873	0.9
168.00627	7.1
169.01425	50.4
170.01752	1.9
179.03525	0.6
181.01427	0.9
211.02464	2.4
225.15092	0.6
237.04010	1.1
253.03436	0.6
271.04498	1.2
279.22934	0.6
295.04446	1.2
313.05750	1.7
521.20282	7.5
522.20319	1.4
536.65009	0.6
539.21313	15.2
540.21985	2.4
654.22754	0.6
691.22412	100.0
692.22760	21.6
692.33496	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2242
Annotation	Curcumin diglucoside
Peak:m/z	Relative Intensity
51.10670	0.9
59.01371	3.3
60.69932	1.0
62.41574	1.2
65.00333	1.5
67.01900	2.7
69.79929	6.3
71.01388	3.3
72.99317	1.6
73.02935	1.9
73.16492	1.1
73.75872	1.0
79.01891	4.1
83.01385	2.1
85.02956	2.6
87.00842	1.9
89.02484	1.2
94.19991	1.0
95.01379	6.8
96.96029	5.3
97.02931	1.4
101.02441	1.8
107.01376	8.0
108.02162	2.9
109.02952	1.4
110.00063	1.7
111.00890	10.2
113.02442	1.4
121.02982	1.4
122.03736	2.2
123.00891	34.8
123.04491	1.6
124.01652	3.7
125.02451	31.7
126.02818	1.4
127.00372	4.0
135.04520	2.0
136.98798	4.6
137.02431	1.8
139.00383	17.7
139.03993	1.7
140.01163	15.8
141.01910	3.5
147.04532	1.0
149.02438	3.9
150.03229	8.6
151.00334	8.3
151.03929	1.2
153.01990	1.6
165.05600	5.6
166.06294	1.9
166.99855	11.6
168.00639	25.6
169.01427	49.1
170.01752	2.4
177.04024	4.0
181.08777	1.6
183.02930	7.1
211.02486	13.7
225.04004	2.5
241.03697	1.7
255.05103	1.1
271.04694	6.3
285.06171	3.2
313.05771	1.5
329.05197	3.0
329.12479	1.5
493.13675	1.6
494.14294	32.3
495.14832	6.9
509.16751	2.4
529.17358	1.3
539.21991	2.6
540.21490	1.1
549.16101	11.7
567.16791	2.8
602.69043	1.3
642.32159	1.1
643.20465	7.7
644.20105	2.2
655.20227	4.8
673.21246	25.2
674.21667	3.5
691.22400	100.0
692.22925	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	691.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45032	0.7
57.30820	0.6
59.01374	2.3
60.99296	1.0
67.01891	2.8
69.03452	0.8
69.76237	2.7
71.01385	4.4
78.68870	0.6
81.03466	0.9
85.02946	9.5
87.00875	6.6
93.03459	20.3
99.04566	0.7
107.23119	0.7
108.02155	1.9
109.02961	4.7
111.04520	4.8
115.00368	4.1
119.05020	2.3
122.03754	0.8
123.04530	0.7
125.02460	1.0
127.04005	3.4
133.02925	0.9
135.04506	3.6
135.52727	0.7
137.02490	0.9
145.02890	0.9
155.03491	0.9
161.02429	1.8
163.04018	1.6
169.01437	1.4
171.02986	1.5
173.04541	14.2
179.03535	2.5
183.02931	0.9
191.05606	100.0
192.05887	3.6
226.06294	2.0
227.07164	4.9
255.10245	14.4
256.10416	0.9
263.07324	0.7
271.04510	1.0
281.08246	2.2
289.05594	2.9
290.22165	0.8
307.06198	2.0
325.06888	0.8
337.09171	0.8
343.08105	1.9
353.08777	1.3
452.83813	0.8
463.10892	2.2
473.14297	1.0
499.12344	2.3
517.13641	5.3
539.51422	0.7
607.97699	0.8
691.18738	63.1
692.18933	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	691.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57916	0.4
59.01382	1.5
60.99303	0.5
67.01881	2.2
69.03463	0.8
71.01379	2.4
81.03458	0.8
83.05023	1.1
85.02948	13.4
87.00867	6.2
93.03458	15.6
96.96044	0.6
99.00890	0.9
108.02187	0.6
109.02956	2.8
111.04506	3.4
115.00343	2.4
119.05014	0.5
121.02969	0.6
125.02449	1.1
127.04013	2.3
135.04532	0.7
137.02452	0.8
155.03542	0.9
169.01364	1.3
171.02985	0.8
173.04543	10.2
191.05606	100.0
192.05927	3.3
223.04504	0.7
225.05524	0.9
226.06339	1.4
227.07138	8.0
255.10182	3.3
256.10629	0.6
263.07138	0.7
281.08215	1.3
289.05460	0.9
307.06342	2.2
312.91302	0.5
325.07114	0.7
463.11105	2.6
489.55771	0.4
499.12372	1.8
500.12531	0.7
517.13281	1.1
597.42090	0.5
691.18732	42.4
692.18939	8.8
719.16931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75022	1.1
55.86373	1.2
56.68590	1.2
59.01377	3.7
61.98834	88.4
62.52689	1.2
71.01388	11.2
71.41517	1.1
71.50219	1.3
73.02941	1.6
78.95910	26.9
83.05040	2.7
85.71738	1.3
88.98817	1.2
96.96965	2.4
113.02486	1.7
117.06217	1.2
119.50163	1.3
152.99619	14.2
163.11275	3.2
165.12900	1.4
169.01595	1.4
171.10316	8.9
172.10622	2.2
181.12114	1.2
195.13826	1.3
201.11385	2.3
207.10297	3.7
208.10498	1.7
209.11847	32.3
210.12166	6.9
225.11411	6.0
226.11665	1.8
227.13049	2.9
235.08243	1.8
247.53975	1.5
253.09364	2.2
293.21283	3.3
295.22891	3.5
363.11838	1.8
395.14420	1.4
431.21927	2.4
437.72198	1.5
438.39313	1.3
447.21237	1.3
452.15192	2.3
481.15222	5.3
495.16821	10.9
496.16940	4.2
502.34662	1.5
508.16769	1.9
536.16980	2.7
540.16187	3.0
551.19366	31.2
552.19379	7.2
554.18762	2.9
568.16290	2.1
572.15552	4.0
586.17078	3.1
595.18561	3.7
627.20996	100.0
628.21301	26.1
630.20905	2.2
658.34888	1.7
659.36121	8.5
689.33282	1.6
690.34869	2.2
691.38434	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	689.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30138	1.7
60.46090	1.7
61.98804	2.8
70.04930	7.4
71.53704	1.8
76.45106	1.7
78.95899	36.9
83.05019	2.2
96.96996	3.7
97.02966	4.2
109.06588	15.0
110.98531	2.6
135.08072	2.7
152.99577	57.2
154.69177	1.8
161.09608	2.4
163.11282	12.2
171.00603	4.2
181.12352	15.2
207.10245	42.1
208.10577	3.2
209.11813	8.0
225.11308	67.6
226.11655	5.0
227.03220	5.9
227.12834	3.3
228.70886	2.0
245.04221	2.3
253.21693	23.7
254.22121	2.6
255.23302	6.1
256.23642	4.9
279.23306	9.9
281.24698	2.7
282.25119	3.3
361.10483	6.9
377.78073	1.8
435.14310	6.4
453.15317	100.0
454.15845	10.6
689.36542	44.4
690.37152	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10173	0.7
52.41257	0.6
53.67952	0.7
55.01866	1.1
57.03448	0.7
58.00585	0.8
59.01105	0.8
59.01380	7.5
60.90797	0.7
61.98817	2.2
69.03465	0.8
69.41979	5.0
71.01383	9.4
72.99296	1.0
73.02950	3.2
80.02672	1.0
81.03451	2.0
83.01373	0.8
83.05030	5.4
84.02162	0.9
85.02944	2.2
87.00877	2.8
89.02442	3.8
93.56846	0.6
95.01389	1.9
95.05037	1.4
96.39393	0.6
96.95956	0.8
97.02948	1.8
97.06596	0.9
99.00854	1.1
99.04561	0.6
101.02451	5.9
107.01376	2.2
109.02993	1.0
109.06597	2.8
111.00883	1.1
111.04484	1.0
113.02472	3.7
119.03511	0.9
123.00892	2.5
124.01660	1.2
125.02455	14.3
125.09739	1.6
127.11259	1.6
135.08192	0.7
137.02444	1.2
139.00406	0.9
139.07649	1.5
143.03511	1.3
145.10300	0.8
147.09453	0.7
149.99608	0.9
151.00403	1.9
151.11346	0.9
152.01094	1.2
153.09253	0.8
155.10742	1.4
161.04565	1.9
161.09698	1.7
163.11285	7.1
165.12877	1.6
168.00652	3.2
169.01445	17.9
170.01801	1.4
171.10274	52.4
172.10609	2.7
179.10794	1.8
181.12361	2.5
185.11783	1.6
191.10762	1.3
193.01483	0.7
197.11865	1.7
199.13406	1.0
201.11339	15.2
203.50732	0.6
207.10289	11.5
209.11833	100.0
210.12183	7.3
211.02426	3.7
215.12857	1.6
225.11325	31.5
226.11685	2.5
227.12891	16.4
227.15138	1.0
235.08255	5.5
237.04214	0.8
242.46523	0.7
243.12410	1.9
251.12868	2.4
253.09311	12.3
254.09682	1.0
263.12933	1.3
271.04529	4.6
295.10272	0.9
310.60980	0.8
313.05621	2.2
340.85748	0.8
365.23264	1.0
385.15039	1.8
399.21646	0.9
407.19357	0.9
443.19272	1.6
445.20877	0.8
461.20322	4.3
465.06775	2.9
479.20929	0.9
537.16052	7.7
537.32178	0.7
538.16290	1.1
635.31042	1.4
653.32159	2.8
671.32770	2.3
672.32867	1.1
689.17090	4.4
689.33478	9.1
690.17395	1.2
690.33905	1.2
700.50739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
56.45794	0.5
59.01106	0.8
59.01377	8.9
61.98816	1.7
67.01892	2.3
68.99805	0.5
69.03429	1.4
69.22530	0.5
69.22828	5.1
71.01382	8.5
72.99291	0.7
73.02946	1.4
79.01880	1.7
81.03458	0.9
81.64962	0.6
83.01387	1.7
83.05048	1.0
85.02943	3.6
87.00878	0.9
89.02448	4.5
91.01884	1.1
92.66558	0.5
93.03470	0.7
95.01395	3.4
97.02945	2.0
99.00884	1.1
101.02439	4.7
106.87080	0.5
107.01392	12.5
107.15956	0.5
109.02318	0.5
109.02949	2.7
111.00892	2.0
113.02467	4.2
116.92841	1.0
119.03521	1.6
122.06113	1.2
123.00899	16.2
124.01641	2.0
125.02454	63.6
126.02801	2.2
127.00320	1.2
135.00908	2.2
136.03990	1.0
136.07683	1.2
136.98802	1.4
137.02448	1.2
137.15488	0.5
139.00374	6.9
139.03984	0.8
140.01173	4.9
141.01921	1.8
149.02519	0.8
149.09720	0.5
151.00369	10.7
152.01065	0.6
152.07164	1.0
153.01932	6.7
161.04521	0.6
165.01907	0.8
166.05168	0.6
166.08714	0.9
166.99725	1.1
167.03525	1.0
168.00629	9.0
169.01424	100.0
170.01765	3.8
171.10321	4.0
181.01428	0.7
183.02902	1.5
190.05153	0.7
193.01376	1.1
195.14023	1.2
199.10080	0.5
201.11353	1.7
207.03035	0.7
209.11801	7.1
211.02480	19.2
212.02820	1.0
213.14928	0.8
214.12436	0.6
223.02422	1.0
225.11285	2.7
227.12827	0.7
241.03500	1.7
242.10666	0.8
253.09135	0.8
257.12915	6.1
271.04572	16.8
272.05032	0.8
285.14682	0.5
295.04477	3.4
297.06345	0.6
301.11935	6.2
302.11990	0.6
313.05591	10.9
314.05865	1.0
331.07281	0.6
343.06793	0.9
355.13049	3.1
357.19107	2.3
375.20285	6.1
376.20526	0.8
423.05902	0.8
445.09882	2.9
461.05460	5.0
461.55652	1.6
465.06735	15.6
466.07227	1.7
469.05197	2.4
469.55289	1.0
475.16345	0.6
482.58936	0.6
483.08069	0.9
491.28741	0.8
493.17056	1.3
515.21356	1.3
519.15167	1.5
527.20880	2.6
537.15564	10.6
538.16406	1.2
581.11658	3.8
645.17969	5.1
646.18689	0.9
653.38031	0.8
688.32672	1.3
689.16840	15.2
689.26855	19.3
689.35168	11.8
690.16571	3.4
690.27234	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	689.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	1.4
59.01376	6.4
61.80088	0.7
61.98826	1.7
62.12195	0.9
69.03459	0.9
71.01379	33.9
73.02937	3.1
80.02673	1.3
81.03450	1.7
83.05020	7.1
84.02158	1.0
85.02941	2.8
87.00874	2.2
87.61806	0.8
89.02427	3.0
95.01385	0.9
95.05009	1.9
97.02934	1.9
99.00895	1.2
101.02435	4.5
109.06572	5.4
113.02443	2.4
119.03521	0.8
125.02471	0.9
125.06105	1.1
125.09706	2.9
127.11294	2.0
135.08127	2.0
137.09656	1.0
139.07593	1.1
155.10791	1.1
161.04475	1.8
161.09705	1.0
163.11292	9.9
165.09233	1.1
165.12796	2.4
169.12361	1.1
171.10271	32.3
172.10635	1.1
178.21669	0.7
179.05655	0.8
181.12389	3.8
185.11789	2.2
189.09224	1.0
191.10744	1.2
197.11784	3.7
199.13347	1.9
201.11311	19.3
202.11711	1.3
207.10236	16.3
208.10625	0.8
209.11812	100.0
210.12212	6.7
215.12878	2.3
225.11307	27.3
226.11646	1.8
227.12869	13.7
227.56113	0.8
235.08185	3.3
243.12360	2.7
251.12889	2.4
253.09267	9.7
263.12823	0.9
316.20615	0.8
371.76962	0.8
399.21786	1.1
417.22876	1.3
443.19449	1.4
445.20914	0.9
461.20224	5.3
462.20364	0.8
479.21017	1.0
635.30609	1.0
653.31525	1.7
671.33154	3.1
672.32928	1.1
689.34021	11.3
690.34058	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	689.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05510	0.7
57.03444	0.7
59.01383	6.7
64.37340	0.6
64.48231	0.6
66.82881	0.6
71.01386	43.8
71.05020	0.7
71.28525	1.5
73.02940	3.4
80.02687	1.4
81.03465	1.6
83.01392	0.8
83.05042	5.4
84.02173	1.4
85.02955	2.4
87.00893	1.7
89.02441	3.0
93.03464	1.1
95.04998	1.3
97.02952	2.4
97.06561	1.0
99.00925	1.1
101.02451	2.8
109.06557	4.5
110.03734	0.8
111.08175	0.7
113.02447	2.5
125.06151	0.7
125.09729	1.9
126.46473	0.7
127.11280	1.8
135.08168	1.9
137.09703	0.7
143.03571	1.0
145.05078	1.2
155.10800	1.5
156.51022	0.7
161.04559	2.0
163.11296	8.7
165.12837	2.0
171.10278	37.1
172.10529	0.8
179.10788	1.1
181.12378	3.4
183.10289	0.7
185.11784	2.4
197.11876	1.6
199.13371	1.2
201.11324	18.6
207.10263	14.7
208.10591	1.1
209.11830	100.0
210.12215	5.1
210.53111	0.7
215.12820	1.6
223.13293	0.7
225.11325	24.6
226.11757	1.8
227.12886	11.2
228.13120	1.1
233.11536	0.8
235.08278	3.7
243.12407	1.9
251.12909	2.6
253.09274	11.1
263.12946	1.2
277.09192	0.8
295.10226	0.9
399.21899	1.0
417.22733	1.1
445.20441	1.1
461.20566	4.1
479.22049	0.9
546.31482	0.7
653.31635	2.0
671.32593	2.2
689.33844	6.4
690.33875	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68525	1.3
61.98819	1.3
69.28471	8.5
69.28886	2.9
69.97332	1.2
71.01389	4.3
75.59146	1.1
83.01356	1.1
88.98805	2.6
94.98085	2.3
98.28275	1.3
101.02419	2.0
107.01392	5.6
123.00912	7.2
125.02451	37.7
139.00388	1.8
140.01199	1.8
142.61314	1.4
151.00372	7.9
168.00652	2.5
169.01437	55.4
170.01758	2.2
211.02414	3.3
227.03488	5.4
229.04968	1.8
241.03528	3.9
255.03046	8.9
257.04556	1.6
271.04642	3.4
284.03305	16.4
285.03922	13.7
313.05646	14.1
331.06818	1.4
447.09097	2.3
576.15692	1.4
582.76086	1.3
599.10406	100.0
600.10962	16.1
689.20270	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	689.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71008	1.5
55.89138	1.6
59.01377	5.5
59.73166	1.7
61.98822	4.1
65.00343	1.6
69.66976	9.0
70.52898	1.6
71.01385	8.3
80.96525	7.9
81.76791	1.6
83.71381	2.0
85.02951	2.6
88.98805	1.7
89.02437	3.2
91.04417	1.6
95.01395	1.9
101.02450	2.4
107.01378	10.1
109.02872	1.8
123.00881	4.7
125.02448	48.5
126.02783	2.5
139.00375	1.8
140.01105	2.5
151.00304	6.8
164.98569	2.3
168.00652	5.4
169.01448	73.9
183.02971	4.2
211.02385	10.5
225.00841	4.1
225.03413	1.7
227.03421	6.6
229.05074	1.8
241.03612	2.9
255.03044	12.8
256.03687	2.7
271.04608	17.9
284.03317	20.4
285.04059	22.8
313.05585	10.0
331.06577	9.6
447.08856	2.7
527.17822	9.5
537.20020	14.6
599.10461	100.0
600.10809	16.1
689.20715	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	687.4966
Annotation	PA(18:1(9Z)/17:0)
Peak:m/z	Relative Intensity
51.92195	0.5
54.58998	0.5
58.70531	0.5
59.69652	0.5
76.18187	0.5
78.95905	13.8
110.98530	9.0
152.99535	1.1
167.01105	3.5
196.89441	2.9
255.23283	100.0
256.23633	8.7
279.23334	3.0
280.23615	2.7
281.24857	57.6
282.25186	6.0
283.25684	0.9
342.25217	1.1
343.25626	1.2
344.25574	0.6
359.41177	0.5
405.23898	0.7
423.25198	2.1
449.26917	4.5
450.27432	1.1
451.27161	0.9
687.49634	13.1
688.49774	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	687.497
Annotation	PA(18:1(9Z)/17:0)
Peak:m/z	Relative Intensity
69.14850	3.3
75.52695	0.3
78.95903	10.8
81.63781	0.3
91.81917	0.3
110.98536	8.9
127.07771	0.3
152.92078	0.3
152.99594	0.9
157.68176	0.4
167.01151	3.3
181.94536	0.3
185.02341	0.4
221.16319	0.3
253.21745	0.6
255.23288	100.0
256.21072	0.6
256.23633	8.6
257.24081	0.9
279.23361	1.9
280.23593	1.9
281.24850	58.4
282.25201	5.7
283.25635	0.5
352.89349	0.4
405.24295	0.8
423.25107	1.9
431.25528	0.9
449.26611	4.1
450.27271	1.2
451.17279	0.8
451.27304	1.0
668.96082	0.4
671.69543	0.4
687.49805	11.5
688.49884	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	687.4326
Annotation	CHEBI:67332
Peak:m/z	Relative Intensity
57.03428	1.6
58.07971	1.3
59.01370	2.4
61.98820	3.3
63.62783	1.1
68.99539	1.2
71.01368	3.9
78.95909	6.2
83.01331	1.3
89.02444	1.5
95.05035	1.2
97.06574	5.6
101.02431	3.2
110.98495	1.9
112.98538	2.0
113.02450	2.1
122.65636	1.2
132.72256	1.2
145.05054	1.4
151.11288	12.9
152.99547	1.8
169.12337	36.8
170.12711	2.3
195.10127	2.7
196.89548	1.7
213.11266	4.7
229.12578	1.3
235.08266	1.6
253.09193	2.2
255.23289	100.0
256.23709	10.0
281.24869	16.6
282.25073	1.7
327.49869	1.5
330.17874	1.4
431.18970	1.6
509.32013	1.5
545.34802	1.5
687.43018	88.3
688.43414	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	687.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67657	0.4
52.10648	0.4
59.01373	0.7
60.04648	0.5
67.03581	0.4
69.03453	0.8
78.95908	22.4
95.01345	0.5
95.57016	0.4
96.96951	1.0
108.02210	0.5
110.98536	7.6
122.02906	1.0
122.03737	11.7
123.04077	0.5
124.01662	1.0
131.46854	0.5
135.04515	6.6
136.01646	2.0
149.06056	0.8
152.99576	19.9
154.00089	0.5
167.01082	2.6
167.10747	1.5
171.00613	2.2
177.09232	0.6
177.12805	0.6
179.14444	1.9
191.10774	0.7
195.13878	5.7
205.12338	5.4
211.50676	0.6
223.13391	24.4
224.13744	2.3
227.03273	2.0
245.04308	0.7
253.21727	12.1
254.21967	1.0
255.23282	100.0
256.23645	6.3
279.23276	1.1
280.23752	0.9
281.24850	55.3
282.25262	3.8
343.26401	93.9
344.26654	8.4
359.12619	1.7
374.27106	0.6
374.32205	0.6
405.24124	0.9
423.25201	1.5
431.25754	0.5
433.16260	1.3
449.26645	3.5
450.27130	1.0
451.17389	39.7
452.17676	4.6
483.27316	1.3
687.38617	9.7
687.49799	11.2
688.38867	2.1
688.50519	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	687.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
56.35249	0.6
57.03440	0.9
59.01380	6.4
61.98827	1.6
65.88036	0.4
67.01884	0.5
68.94516	0.6
69.03458	4.9
69.29008	3.5
69.29420	0.8
70.08632	0.5
71.01383	6.0
71.05024	1.5
72.99293	0.8
73.02952	1.7
74.58221	0.5
80.02681	1.7
81.03469	2.2
83.01376	1.0
83.05022	5.8
84.02170	1.5
85.02949	1.3
87.00862	1.5
88.47036	0.5
89.02422	2.9
95.01416	1.1
95.05036	1.1
97.02953	1.2
97.06580	1.2
99.00877	1.6
101.02444	4.3
109.06603	1.7
109.80906	0.5
111.04531	0.7
113.02457	2.5
119.03442	1.1
123.08157	1.8
125.02467	1.3
125.09706	3.1
135.08099	1.2
151.07657	0.5
151.11279	2.9
153.12863	1.9
161.04547	1.6
161.09671	4.6
163.11284	5.0
165.12852	1.8
169.01459	0.5
169.12411	0.5
171.10275	6.2
179.10756	8.2
181.12329	1.9
183.68416	0.5
185.11908	0.8
191.10776	0.7
197.11819	46.3
198.12175	2.0
199.13258	0.5
201.11296	0.8
205.08647	1.0
207.10237	4.4
209.11815	65.1
210.12123	4.6
223.09775	3.4
225.11284	5.2
227.12831	5.5
235.08235	0.9
241.10718	3.3
243.12355	1.0
253.09323	4.3
389.22946	0.7
407.24615	0.5
459.18451	1.3
461.20157	0.7
477.19711	2.9
651.30219	1.0
669.31934	2.4
687.32275	100.0
688.20612	1.0
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	687.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27118	0.7
57.03442	1.4
59.01378	6.3
61.98823	0.9
67.01829	0.6
68.99819	4.0
69.03456	1.4
69.78388	0.5
71.01382	13.1
71.05018	0.6
72.99294	1.6
73.02951	1.3
80.02667	1.5
81.03455	2.2
83.01380	1.3
83.05029	7.1
84.02171	1.5
85.02956	2.2
87.00868	1.2
89.02433	3.2
90.18636	0.6
95.01380	0.8
95.05022	2.0
97.02949	1.7
97.06606	1.1
101.02437	4.6
107.05014	0.7
109.02879	0.6
109.06605	2.1
110.03739	1.9
111.00942	0.6
111.04520	9.0
111.08131	0.7
111.63376	0.6
113.02451	3.0
119.03518	0.7
122.03771	0.5
123.04518	1.3
123.08141	2.2
123.52300	0.5
125.06125	1.3
125.09711	3.5
127.11274	0.6
135.08200	1.9
137.09683	0.6
143.31346	0.6
151.11259	1.8
153.09204	1.4
155.10759	0.8
161.04544	1.8
161.09711	4.1
163.07651	0.6
163.11288	5.5
165.12810	2.2
169.12326	1.5
171.10278	37.4
172.10620	2.3
177.09218	2.5
179.05606	0.9
179.10774	7.3
185.11839	1.8
191.10767	1.5
195.10182	1.1
197.11839	3.5
199.09758	0.8
201.11319	2.3
205.08694	10.1
207.10246	4.9
208.79279	0.6
209.11832	100.0
210.12149	7.1
211.13350	2.0
213.11334	4.4
221.11836	0.9
223.09769	22.3
223.13113	3.5
224.10112	1.1
225.11287	5.5
227.12881	13.7
227.15115	0.8
228.13136	0.9
229.12862	0.7
235.08167	3.2
241.10732	3.1
253.09286	9.6
261.11346	0.7
389.23520	1.0
397.19907	0.7
397.96786	0.5
405.17441	0.9
407.19287	1.5
415.21274	1.4
433.22488	0.6
441.17480	0.9
445.20959	1.6
449.20300	0.8
459.18491	4.0
461.20175	0.9
477.20038	1.5
581.29822	1.0
599.30688	0.9
633.29065	1.3
643.30554	0.9
651.30121	4.5
652.30725	1.3
669.31342	7.4
670.31848	1.1
687.32330	16.0
688.32031	3.0
708.36249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95428	0.7
51.73973	0.7
53.97784	0.7
57.03441	1.7
59.01379	9.3
61.98824	2.8
68.99824	3.7
69.03454	2.2
71.01383	16.7
72.99304	2.8
73.02946	3.3
74.46555	0.7
80.02707	1.8
81.03447	2.2
83.01390	1.7
83.05020	7.2
84.02153	1.4
85.02941	3.1
87.00871	2.8
89.02442	4.1
91.03996	1.2
95.01388	1.3
95.04997	2.1
97.02960	2.3
97.06589	2.2
99.00888	1.0
101.02471	6.2
108.02183	0.9
109.06584	6.3
110.03743	1.8
111.00874	1.2
111.04510	6.7
113.02469	4.1
119.03489	1.2
121.02953	0.8
123.04498	1.5
123.08154	1.9
125.02429	1.0
125.06081	1.8
125.09715	5.7
127.11266	1.5
132.03937	0.8
135.08145	1.7
145.05104	1.2
151.11275	2.5
153.09187	1.4
155.10777	1.2
160.55687	0.8
161.04549	2.3
161.09729	3.8
163.11279	9.0
165.12804	2.5
169.01387	1.5
169.12328	2.0
171.10263	53.3
172.10629	2.2
177.09222	2.3
179.05618	1.2
179.10802	6.8
180.11037	1.2
181.12387	2.2
185.11841	3.7
187.09694	1.3
191.10855	1.3
195.10231	0.8
197.11780	6.9
198.12198	1.0
199.09773	1.7
199.13394	1.1
201.11346	5.2
205.08690	15.6
207.10255	15.4
208.10675	1.1
209.11816	100.0
210.12187	7.1
211.13354	2.0
213.11253	5.0
215.12944	1.5
221.11774	1.6
223.09737	28.0
223.13217	1.0
224.10164	1.4
225.11311	15.8
226.11531	1.1
227.12898	16.3
231.10446	1.1
235.08173	4.7
241.10773	3.7
243.12587	1.1
253.09319	10.4
407.18976	1.7
415.21164	1.2
433.21228	1.0
441.17596	1.2
443.18933	1.0
445.20660	1.9
459.18655	5.4
461.20108	3.5
477.19525	1.0
500.53461	0.9
581.30170	1.0
590.57489	0.8
615.30115	1.0
633.28845	1.1
643.29974	1.5
651.30151	5.3
669.31226	11.3
670.31854	2.0
687.32306	30.6
688.32935	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	687.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88369	0.8
57.03442	1.2
59.01386	5.2
60.99298	2.7
65.60094	0.9
67.01884	7.9
69.03471	1.8
70.23772	0.8
71.01385	4.2
71.51006	1.3
80.21179	0.8
81.03448	1.9
85.02951	6.2
87.00873	8.7
89.02462	1.1
93.03459	42.4
94.03783	1.5
95.01382	2.4
101.02417	1.0
108.02216	1.1
109.02967	1.8
111.04536	6.5
111.05193	1.0
113.02439	1.6
119.05035	1.2
121.02949	23.6
123.00862	0.9
125.02470	11.0
127.04012	1.1
129.01944	1.2
137.02446	2.4
155.03532	1.0
160.04070	1.9
161.19499	0.9
163.00394	1.7
163.04005	1.6
164.98416	0.9
165.01926	2.7
169.01411	20.6
170.01743	1.3
173.04543	30.5
174.04913	1.3
181.05092	6.2
191.05606	99.8
192.05942	6.5
208.00107	2.2
209.00887	5.4
212.02753	0.8
233.04564	1.0
233.06642	3.9
243.62379	0.9
251.02013	2.6
275.01904	1.4
279.10770	2.0
281.11078	0.9
291.77090	1.0
300.99857	6.3
301.99893	1.0
302.90247	0.9
315.07285	1.3
331.06796	6.4
337.09335	5.4
355.10318	100.0
356.10635	9.9
371.05865	1.8
481.06314	2.6
513.08746	2.0
563.52893	1.0
659.81763	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.1
59.01384	6.9
61.98867	0.6
65.00355	0.5
67.01911	1.8
69.03493	0.7
69.99590	2.7
71.01383	8.3
71.01720	0.6
72.99332	0.9
73.02975	2.4
79.01923	2.6
81.03495	0.7
83.01410	1.7
85.02959	3.8
89.02435	3.9
89.57745	0.6
90.18697	0.6
95.01405	2.9
97.02966	1.5
99.00939	0.9
101.02446	7.1
107.01390	13.8
107.02044	0.9
111.00903	1.5
113.02459	3.8
119.03519	1.3
121.02976	0.8
123.00889	21.3
124.01737	1.1
125.02449	47.1
126.02814	1.5
127.00401	0.8
136.82268	0.6
136.98773	0.7
137.02425	1.3
139.00363	7.3
140.01151	2.6
141.01953	1.8
150.03140	0.7
151.00374	11.0
153.01955	1.2
161.04518	0.8
165.01955	1.4
165.05562	0.7
167.03429	1.2
168.00664	4.5
169.01421	100.0
170.01738	3.6
183.03119	0.8
205.27560	0.6
211.02467	8.1
225.15091	0.8
266.36093	0.6
271.04526	1.6
313.05499	2.3
350.90808	0.6
355.17654	3.9
373.18646	11.9
374.18912	1.3
387.20123	1.1
387.80145	0.6
389.78644	0.7
415.19412	2.1
447.12796	0.6
471.18457	1.8
501.19186	1.8
525.19647	4.8
526.19635	0.7
535.17908	1.0
669.30725	1.8
687.24280	63.1
688.24768	12.3
688.35150	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	686.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70633	1.7
59.01371	4.3
60.42789	1.4
61.98836	7.8
71.01377	4.2
71.51857	2.8
73.02940	1.8
89.02435	2.9
96.95963	1.6
99.92603	1.7
101.02446	1.7
107.01318	2.2
116.92847	10.6
117.92841	3.3
120.86000	1.3
121.02943	3.5
123.00861	5.1
125.02466	13.4
137.02475	1.9
139.00349	1.7
140.01218	1.7
151.00377	3.6
165.01949	7.5
165.88457	1.7
167.50923	1.7
168.00598	5.7
169.01407	11.7
169.97331	2.1
175.51135	1.5
183.02808	1.7
187.07318	1.6
227.03563	2.0
243.02942	2.1
255.02899	2.7
271.02490	29.6
272.02722	2.8
279.39410	1.5
281.01767	1.6
285.04092	3.0
298.98651	3.3
299.01956	53.6
300.02582	7.6
306.14044	1.7
314.04294	62.6
315.05008	25.9
437.30756	1.9
499.18875	1.5
501.19043	2.4
511.52713	1.7
623.16107	100.0
624.16608	19.9
645.09125	1.6
671.62109	2.1
686.31140	2.3
687.22888	3.2
687.34082	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	685.481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64455	0.5
56.47557	0.6
62.30351	0.5
62.96384	0.6
68.08584	0.6
71.50109	1.0
78.95904	26.0
97.21295	0.6
104.97411	0.6
110.98535	17.7
137.00096	0.8
152.99593	1.7
165.07310	0.6
167.01144	13.6
183.67227	0.6
185.02180	2.0
210.96577	0.9
253.21715	11.3
254.21976	1.2
255.23282	76.1
256.23627	7.5
257.23862	0.8
278.22021	2.0
279.23270	100.0
280.23645	8.7
281.24832	63.9
282.25250	6.4
308.04575	0.6
391.22696	0.7
405.24268	0.7
417.13309	1.0
423.25131	4.0
424.25238	1.1
429.24329	1.1
447.25040	1.8
448.25836	0.9
449.26706	42.2
450.27109	5.6
684.01599	0.9
685.48260	12.1
686.47839	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	686.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69446	1.4
52.33246	1.2
53.93152	1.3
59.01379	5.4
59.80871	1.1
61.92765	1.2
61.98831	100.0
68.32515	1.4
71.01380	3.3
71.52051	1.6
72.63358	1.3
73.02962	2.0
75.42785	1.1
79.44669	1.2
83.01395	2.0
85.02925	1.9
87.00915	1.2
89.02448	2.5
101.02446	2.9
107.01389	4.9
108.02163	1.7
109.02950	2.2
111.00919	1.5
113.02444	1.9
116.92856	5.8
121.02949	2.0
123.00874	4.1
124.01620	1.1
125.02443	10.9
132.02185	1.8
133.02954	1.6
135.04529	3.5
137.02464	1.3
151.00371	6.7
151.04065	1.4
153.01982	1.4
160.01689	1.5
161.02457	6.0
165.01933	1.7
166.99817	1.3
169.01428	19.8
170.01738	2.2
171.10216	2.3
175.03996	3.8
179.03430	3.1
185.06050	1.6
197.48863	1.3
205.08543	1.4
209.11804	3.9
211.02408	1.5
219.10321	1.2
225.11212	1.4
227.03487	25.8
227.12885	1.4
229.05060	7.7
241.04965	1.5
255.02989	49.2
256.03436	7.1
257.04501	4.3
267.02780	1.6
269.04385	1.2
283.02386	3.3
284.03244	59.0
285.04022	54.3
286.04340	4.3
299.05649	5.1
323.07709	7.1
337.09207	1.9
395.27063	1.3
447.09286	1.4
488.97284	1.3
533.59509	3.6
534.09662	1.5
623.14026	95.4
624.14484	16.8
685.30365	3.3
686.30554	6.2
687.31677	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	685.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34671	1.5
52.21954	1.8
53.00301	1.6
53.51805	1.7
54.46861	1.8
57.03455	2.3
57.46617	1.7
59.01384	16.3
61.98833	11.0
66.64147	1.8
69.03449	3.5
71.01381	100.0
71.50709	2.9
72.99307	1.9
73.02944	5.3
75.00868	2.0
77.22604	1.7
78.95898	2.6
81.03470	2.4
83.05022	5.1
85.02948	4.8
87.00878	5.3
87.04535	2.0
89.02441	4.6
91.15373	1.7
95.01427	1.7
95.05015	1.9
97.02979	2.8
97.06566	2.8
99.00869	3.2
101.02464	7.0
102.88789	1.8
109.06601	5.4
113.02391	4.2
117.65936	1.8
121.06546	2.3
125.02442	3.4
125.09715	4.6
127.11288	2.2
135.08118	3.2
138.11292	1.7
143.03520	1.7
145.04970	2.1
151.11191	2.0
161.04582	3.6
163.11255	8.0
167.10719	2.7
169.01428	4.0
171.10272	27.3
179.14389	3.9
181.12383	2.0
185.11754	2.2
195.13925	11.8
197.11868	4.1
199.13429	4.1
201.11317	29.9
205.12346	9.8
207.10278	21.1
209.11823	27.1
211.13388	5.9
215.12933	1.9
219.13902	2.4
221.11830	13.3
223.13383	78.6
224.13666	4.6
225.11339	27.8
227.12889	3.7
235.08308	8.6
239.12878	18.5
243.12253	4.5
247.13376	4.3
253.09251	17.7
255.23407	3.4
259.13199	2.2
265.14413	4.3
279.23288	5.8
281.24792	4.6
295.10507	1.8
341.25208	2.0
413.23636	2.7
431.24420	3.7
443.19205	1.9
459.22253	6.2
461.20203	3.5
475.22137	3.4
479.21542	2.4
592.07819	2.1
649.32513	5.0
667.33429	7.9
685.34247	24.7
686.34436	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	685.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72182	0.6
57.02239	0.7
59.01377	3.9
60.23848	0.6
61.98825	2.9
69.38523	5.1
71.01379	2.9
73.02942	1.7
85.02962	0.8
87.00852	0.7
87.04464	0.6
89.02462	3.1
93.03525	0.9
95.01428	0.7
95.07925	0.6
96.96014	1.1
101.02446	1.4
107.01395	2.5
111.04489	0.7
113.02428	1.4
116.92854	1.0
123.00877	2.5
125.02430	10.7
131.03502	1.4
133.10229	1.9
135.11804	22.5
139.00417	1.1
149.04552	1.4
150.06834	2.1
151.00388	1.3
161.09688	1.1
165.59727	0.7
167.10773	3.0
168.00635	0.7
169.01442	15.1
170.01772	1.3
179.10776	100.0
180.11111	6.0
185.11946	0.6
209.11806	1.0
223.09766	20.7
223.11893	1.4
224.10136	2.0
293.08755	1.2
313.05563	1.4
371.24445	2.2
523.32245	1.1
533.09576	4.2
533.59918	1.4
685.29327	11.2
685.40295	2.1
686.30634	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	683.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.2
57.39804	0.5
59.01376	4.5
61.36217	0.6
61.98829	5.9
69.03460	1.2
70.66912	0.5
71.01384	5.4
73.02945	1.6
78.95908	1.2
80.02652	0.8
81.03450	0.9
83.01388	1.0
83.05028	1.0
85.02956	1.7
87.00874	3.2
89.02443	1.8
95.01359	0.7
95.05032	2.1
97.06584	17.2
98.40485	0.5
101.02440	5.1
113.02445	2.3
123.08156	8.6
125.09719	95.3
126.10062	4.0
143.10756	0.7
145.05023	1.7
152.99545	0.9
161.04536	2.0
169.08662	2.7
187.09746	37.5
188.10104	1.3
228.95096	0.8
235.08223	3.6
253.06779	0.9
253.09155	4.2
277.21716	47.7
278.22012	4.3
308.83438	0.6
405.17642	7.7
406.17935	0.8
423.18658	7.1
504.18149	1.0
505.18588	1.3
591.22162	0.7
651.24609	8.2
652.25214	4.0
683.27368	5.6
683.39996	100.0
684.28601	1.5
684.40363	23.2
711.01154	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95165	0.6
54.51070	0.5
55.01868	0.6
57.03448	3.7
59.01379	7.4
61.98826	1.2
71.01376	5.0
78.95916	0.8
80.02644	0.6
83.05029	0.8
85.02969	0.6
89.02444	4.8
95.05015	1.3
97.06586	14.6
98.08308	0.5
98.20705	1.1
101.02442	3.9
113.02458	1.9
119.03492	1.6
123.08152	8.5
125.09719	100.0
126.10056	3.9
143.03502	0.7
143.10793	1.6
161.04536	1.3
162.98126	0.5
167.10814	0.6
169.08694	2.1
179.05556	0.9
187.09744	74.5
188.10083	2.9
235.08310	0.7
236.55322	0.5
250.22606	0.6
253.09293	2.1
255.23361	0.7
261.13452	1.3
277.21719	16.4
278.22031	1.8
279.59271	0.5
405.17633	6.4
423.18716	18.4
424.19205	1.3
492.58612	0.7
683.40076	95.6
684.40338	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	683.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.4
61.91178	0.9
61.98822	3.5
62.50035	1.0
63.19489	1.0
71.01382	7.0
71.50159	1.8
73.02956	1.0
73.70535	1.0
83.01364	1.1
85.02951	1.2
87.00890	2.5
89.02430	4.0
99.11957	1.0
101.02454	5.3
106.06622	1.1
113.02435	3.5
119.03526	1.8
125.02426	1.3
127.11253	2.4
145.05098	1.4
149.31970	1.0
161.04541	2.1
171.10263	100.0
172.10614	3.9
195.13887	3.3
205.15869	1.1
207.10202	3.1
221.11850	1.4
223.13388	1.7
235.08182	4.7
239.12823	1.1
253.09279	10.8
275.20096	6.0
277.21619	1.5
277.81491	1.1
279.23239	1.2
293.21216	40.7
294.21460	3.5
325.25424	1.3
359.25803	2.5
369.24106	3.2
387.25455	12.9
388.25568	1.9
405.26511	9.0
407.19208	1.4
430.82211	1.0
623.34332	35.1
624.34424	6.0
646.31720	1.2
651.24597	5.1
652.24878	3.0
683.26746	4.9
684.27301	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	682.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.47220	0.7
66.13132	0.7
69.28603	3.7
69.29015	1.7
77.38976	0.8
78.95902	1.2
80.96568	0.6
98.20747	0.7
110.98570	0.9
113.90141	0.7
142.08470	0.6
202.40327	0.8
255.23283	3.1
277.21701	5.4
332.44049	0.7
505.21048	0.7
605.55054	0.9
681.29407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76938	0.3
59.01378	0.6
60.99306	17.9
71.01374	0.5
71.51513	0.5
82.95409	0.6
88.98806	100.0
89.99133	1.0
92.04698	0.3
101.02436	0.4
114.61622	0.3
125.02445	0.8
151.00362	0.3
169.01398	1.0
211.02296	0.3
227.03450	2.9
243.22563	0.3
255.03001	4.4
256.03531	0.5
256.07462	0.3
284.03244	6.5
285.04065	1.5
503.19275	0.5
593.15112	8.0
594.15735	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34582	0.4
57.03450	0.8
58.00587	1.3
59.01379	48.1
60.01694	0.6
66.69204	0.4
71.01379	32.2
71.50438	0.6
72.01704	0.9
72.99299	1.8
73.02943	0.8
83.01385	1.2
85.02953	4.8
87.00875	1.8
89.02443	42.4
90.02760	0.7
94.98178	0.4
95.01388	1.5
101.02438	16.5
102.02765	0.6
113.02447	14.3
119.02658	0.9
119.03498	15.2
120.03794	0.5
125.02463	0.7
131.03497	1.6
135.04501	0.6
143.03500	3.3
149.04547	1.3
161.04556	4.5
167.30270	0.5
169.01523	0.5
179.05597	19.1
180.05818	0.6
191.05637	0.8
271.58856	0.5
323.19266	0.5
341.10870	100.0
342.11179	6.7
372.65967	0.4
415.72180	0.5
557.34576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.8
58.00586	1.4
59.01382	45.3
71.01385	37.5
71.06521	0.9
71.06860	0.9
72.99313	1.7
73.02941	0.9
74.55996	0.7
79.70302	0.7
83.01387	1.3
85.02948	5.6
87.00887	2.6
89.02450	46.5
90.02786	1.0
95.01389	1.7
101.02449	17.6
110.18131	0.9
113.01714	1.2
113.02454	14.5
119.03505	15.4
131.03496	2.2
143.03490	3.6
149.04486	1.2
155.45656	0.9
161.04546	5.3
179.04150	1.3
179.05618	19.0
341.10904	100.0
342.11227	7.7
512.88873	0.7
519.83008	0.7
653.49530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.8
57.03438	2.3
58.00589	2.0
59.01380	46.9
61.98819	2.8
64.68232	0.9
69.17151	2.4
69.17572	5.5
71.01383	39.2
72.99296	4.1
73.02949	5.4
75.00848	0.9
83.01385	4.5
85.02943	10.2
87.00874	2.8
89.02445	25.8
95.01363	3.9
96.96001	6.6
99.00886	3.0
101.02445	24.5
101.29092	0.9
107.01376	1.2
111.00886	2.2
113.02441	12.7
119.03501	10.7
121.02969	1.0
123.00871	1.7
125.02473	6.4
131.03479	2.2
143.03564	0.9
149.04546	0.9
161.04556	3.5
168.00746	1.2
169.01402	7.5
179.05598	2.3
211.02388	1.1
271.04639	1.1
274.34293	1.0
321.24545	0.8
332.41122	0.8
357.26376	2.8
501.30704	5.6
519.31824	17.9
520.32104	2.2
619.23700	1.0
681.37030	100.0
682.37421	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	681.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00606	0.7
55.01876	0.8
59.01381	6.9
61.98833	10.2
69.15104	7.0
69.39140	0.7
71.01389	6.4
72.70167	0.7
73.02941	1.1
76.14549	0.7
80.96508	1.8
81.03471	0.6
83.01387	1.3
85.02943	3.0
87.00880	1.0
88.98807	1.0
89.02424	3.1
93.03454	0.7
96.96006	0.8
99.00896	1.4
99.54832	0.7
101.02430	3.4
107.01360	1.1
109.02934	5.8
111.00868	1.4
113.02419	1.3
119.03497	0.8
119.05040	1.7
121.02976	1.0
123.00864	3.2
124.01662	5.6
125.02457	8.7
131.03438	2.1
133.06537	0.8
135.04498	0.9
136.01672	2.0
136.21513	0.7
137.02440	9.2
138.03249	5.2
139.00351	2.1
140.01131	1.8
145.03070	0.7
149.02390	2.7
150.03183	3.3
151.00302	1.2
152.01117	3.6
163.03990	1.9
166.99828	1.3
168.00620	2.6
169.01404	10.4
173.05984	1.1
175.03981	2.3
176.04755	1.6
177.05539	2.3
178.06335	1.1
179.03372	0.9
188.04761	1.0
189.05553	11.1
190.06369	5.8
193.01392	1.5
194.99263	3.0
203.07051	2.1
209.11819	0.9
212.12096	0.7
224.73689	0.9
243.10138	1.3
247.06047	3.7
258.12598	1.2
283.04691	0.8
315.35712	0.9
327.19489	2.1
343.18982	1.6
371.18701	3.9
453.05969	1.2
505.24152	1.4
577.32184	1.7
595.33447	1.9
637.28290	0.8
681.27551	100.0
682.28033	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	681.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.9
67.01880	0.4
69.25034	0.9
69.25437	2.9
71.01383	2.4
85.02949	6.2
87.00878	1.4
89.02443	1.0
89.43137	0.5
93.03468	2.9
93.70117	0.4
99.00910	0.4
101.02458	0.8
111.04531	0.9
113.02425	0.5
116.60977	0.4
119.03455	0.7
119.05051	0.5
127.03991	2.0
145.02975	0.6
154.05324	0.4
163.04005	1.5
171.02945	0.6
173.04564	1.6
179.05583	0.9
181.04967	0.5
191.05614	100.0
192.05937	3.7
197.92903	0.4
337.09293	21.8
338.09586	1.8
694.30487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97195	1.9
59.01376	15.8
60.03133	1.9
60.04086	1.9
61.98830	3.4
65.00332	2.2
67.01880	3.7
68.94366	2.0
71.01381	14.2
71.52061	2.8
75.06310	2.0
83.01403	5.6
85.02967	5.1
87.00880	4.2
89.02477	11.7
95.58352	2.3
96.96000	10.0
99.00890	9.1
100.01670	6.6
101.02460	7.2
107.01405	7.1
107.68408	2.1
109.02963	2.4
111.00887	24.9
113.02464	7.9
113.99588	27.7
115.00380	4.3
123.00900	12.6
125.02444	26.0
128.01164	8.9
135.04565	2.3
135.32858	2.2
139.00383	8.7
140.01157	4.0
151.00368	8.7
156.00659	100.0
157.01292	6.4
161.99785	2.0
168.00601	12.7
169.01418	36.5
174.01694	78.3
174.03206	4.3
175.02393	6.2
205.01410	3.7
207.78583	1.9
211.02480	37.4
237.79482	2.3
249.00420	3.2
271.04602	38.4
272.04816	4.0
285.03946	10.2
308.73282	2.3
313.05615	3.5
335.81085	2.2
505.20810	9.0
519.22626	2.4
529.19067	2.5
535.21747	10.7
563.21033	18.0
564.21661	2.7
565.23035	10.6
581.22321	39.7
582.22437	3.7
591.24213	2.4
595.30170	2.8
617.22479	2.8
618.24268	3.2
619.23920	88.1
620.24091	16.1
621.22021	38.7
622.22040	5.2
645.21948	13.3
646.21533	3.8
663.22919	6.0
681.25110	10.1
681.37482	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	680.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72030	0.1
59.01371	0.3
61.98831	100.0
70.65728	0.1
71.51640	0.2
78.95940	0.1
81.85148	0.1
125.02466	0.6
139.24992	0.1
140.01117	0.2
156.12019	0.1
163.11128	0.1
168.00694	0.2
169.01427	0.7
171.10304	0.2
190.06451	0.2
207.10196	0.1
211.13481	0.1
225.11336	0.3
303.12512	0.4
313.05423	0.2
381.34177	0.1
382.80420	0.1
432.49677	0.1
617.19110	0.4
681.27991	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28753	3.8
59.01373	6.6
59.75610	3.3
68.67944	3.2
71.01389	7.8
77.01067	3.4
83.10923	3.8
89.81845	3.5
98.19766	7.2
107.01427	7.7
121.03003	4.5
123.00903	6.0
124.01878	3.7
125.02448	22.8
126.89141	3.9
151.00377	10.1
169.01393	26.5
228.04445	4.0
248.96298	3.5
255.03014	13.9
271.02399	31.8
300.02737	77.8
301.03491	29.7
302.04233	4.0
313.05630	4.7
355.68170	3.9
463.09058	20.1
478.69885	4.0
563.69672	3.6
615.09930	100.0
616.10034	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	679.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44703	0.4
55.01867	0.8
55.06890	0.5
57.03442	1.2
58.00584	1.9
59.01383	35.5
61.98826	1.0
67.64587	0.4
68.99807	0.6
69.03447	1.9
71.01387	34.4
72.99316	2.4
73.02948	6.2
75.00855	0.8
76.73703	0.5
77.41000	0.5
81.03468	1.1
83.01395	3.4
85.02959	7.6
87.00416	0.6
87.00885	9.0
87.04466	0.6
89.02449	29.8
91.00172	0.5
94.98051	0.5
95.01387	3.1
97.02951	5.1
99.00899	2.2
99.04515	0.7
101.02448	27.8
109.02942	0.6
111.00890	0.8
111.04538	0.8
113.02452	12.2
114.02773	0.6
115.04047	0.6
119.03510	9.8
121.02943	0.5
124.01672	0.7
125.02454	12.6
126.02802	0.8
127.29229	0.4
131.03539	1.2
133.05051	1.1
139.04018	0.8
141.01991	0.7
143.03511	5.1
149.04552	1.0
161.04572	6.9
179.05635	7.1
184.24081	0.4
217.07130	0.8
219.05136	0.6
221.06737	2.4
235.08250	13.1
236.08592	0.5
245.06615	1.3
253.09282	3.8
263.07703	1.3
277.09235	1.1
281.24857	100.0
282.25198	9.7
282.27975	0.3
287.07803	3.9
295.26367	0.6
305.08765	3.7
323.09845	1.9
379.12540	1.0
397.13513	77.5
398.13889	6.1
415.14569	32.4
416.15085	2.3
517.01910	0.5
560.82465	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43307	1.6
57.03442	3.2
58.07691	1.7
59.00065	2.0
67.01877	6.0
78.95911	30.4
81.03451	3.4
81.91410	1.5
83.05045	6.8
84.02129	1.9
85.02958	22.3
98.19849	3.1
99.92580	2.5
109.06606	3.0
110.98533	14.1
114.01109	1.9
122.97578	3.0
128.16006	1.8
142.02724	1.8
149.92728	1.9
152.99583	8.0
167.01125	7.2
171.00598	2.7
171.10239	11.0
177.12785	3.5
183.13873	4.9
193.12267	2.0
195.13901	3.7
211.13402	41.6
221.11795	24.1
222.12184	2.7
225.11296	3.0
229.40750	2.2
239.12894	77.5
240.13164	4.4
255.23306	100.0
256.23721	11.3
283.26367	2.7
328.73056	1.7
423.25089	9.1
424.25543	2.4
558.37854	2.1
645.37518	9.1
677.28113	3.3
677.40314	57.7
678.40448	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	678.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04442	1.4
55.81548	1.8
59.01384	2.4
63.02406	2.0
65.00317	4.3
69.97288	1.3
71.01342	1.9
71.51833	2.8
71.75070	1.4
72.29302	1.3
82.67535	1.5
96.96059	1.6
107.01404	9.4
121.02932	8.4
125.02451	5.5
151.00374	36.0
151.01569	2.3
163.00418	1.9
169.01477	7.3
178.99843	17.5
201.60986	1.5
232.76909	1.9
297.05261	1.6
301.03516	100.0
302.03915	6.9
313.05688	2.6
615.09869	18.0
616.10175	3.2
678.19232	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	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39086	0.3
55.01865	1.0
57.03448	0.8
58.00581	1.5
59.01380	40.0
60.01725	0.5
61.98812	1.3
68.99818	0.5
69.03458	2.2
71.01381	34.3
72.01718	0.4
72.99303	2.5
73.02951	5.4
75.00879	0.8
78.95913	1.8
81.03474	1.7
82.74281	0.3
83.01389	4.0
85.02952	8.4
87.00877	9.0
89.02444	29.8
90.02773	0.5
91.03997	0.7
93.03477	0.5
95.01383	2.2
95.05027	0.3
97.02953	4.7
99.00880	1.8
99.04459	0.4
101.02445	29.3
102.02760	0.8
103.00357	0.5
111.00885	0.4
111.04467	0.7
113.02447	13.6
115.03961	0.8
119.03504	10.2
123.00903	0.4
124.01631	0.4
125.02447	14.0
131.03482	1.0
133.05038	0.8
139.03970	1.0
141.01910	0.7
143.03516	5.1
149.04535	1.3
161.04555	6.9
167.03450	0.7
169.05054	0.4
179.05614	6.3
185.04553	0.9
199.06046	0.5
203.05592	0.5
209.11906	0.6
217.07164	0.8
221.06647	2.3
224.43634	0.3
229.51158	0.4
235.08214	12.6
236.08559	0.7
238.28816	0.4
253.09229	3.2
261.22125	0.5
263.07755	1.6
268.19797	0.4
277.09238	1.4
279.23276	100.0
280.23602	9.5
287.07724	3.9
290.39273	0.4
305.08804	3.7
307.21201	0.4
323.09903	1.6
379.12418	0.9
397.13486	73.8
398.13852	6.3
415.14554	30.6
415.20490	0.4
416.15005	2.3
566.05975	0.4
677.36993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	0.9
68.35825	0.8
69.03456	0.8
70.23325	3.3
78.95904	76.2
81.18157	0.7
96.96960	6.8
97.06564	1.1
110.98492	0.8
143.45293	0.9
148.39728	0.9
150.98010	1.5
151.11279	19.4
152.11627	1.4
152.99585	100.0
153.99931	1.6
169.12338	90.7
170.12637	3.7
171.00610	9.2
185.11780	2.1
189.24472	0.9
195.10173	2.3
201.11320	1.4
209.11824	7.5
211.13518	1.0
213.11320	33.0
214.11658	1.6
227.03204	2.7
227.12781	1.5
245.04292	1.8
253.21620	2.8
255.23167	3.5
281.24872	6.8
282.25366	0.9
349.10574	7.4
363.12289	1.2
367.11426	1.2
395.14615	2.3
417.23965	1.0
423.08609	1.5
423.14236	23.0
424.14426	1.9
441.15295	87.0
442.15610	7.8
483.27109	1.2
645.37769	3.1
677.36670	68.7
678.36786	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	677.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.7
59.01376	17.1
59.39155	1.1
61.98829	18.0
69.03480	1.4
69.74863	7.3
71.01382	11.1
73.02953	2.6
79.65699	1.6
81.03465	2.0
83.01411	1.3
83.05027	7.0
85.02950	5.0
87.00893	3.0
88.98823	1.8
89.02454	6.3
95.01369	1.5
95.05025	1.8
96.96027	3.4
97.06607	6.8
101.02432	8.9
109.06590	2.0
113.02438	5.3
119.03488	2.4
123.00890	1.3
125.02420	6.1
125.09721	4.1
126.02868	1.3
127.11303	2.6
137.02446	4.3
137.09700	1.5
151.00421	1.5
151.11287	25.1
151.12471	1.8
161.04572	3.5
163.11366	2.9
165.09161	1.9
165.12845	2.4
169.01414	7.5
169.12332	100.0
170.12688	5.8
171.10233	13.5
195.10283	4.3
197.11861	2.0
199.09764	9.2
201.11322	44.2
202.11644	2.8
209.11816	70.1
210.12215	5.0
213.11331	14.6
225.11304	2.0
227.12816	7.5
235.08195	1.9
253.06810	1.9
253.09254	9.9
327.21875	1.4
403.82120	1.4
435.18622	2.0
446.70932	1.4
449.20367	7.6
479.33710	5.1
525.23602	2.3
601.93225	1.4
614.23322	1.3
633.31213	47.0
634.31531	6.2
641.32550	3.0
659.32831	99.6
660.33221	15.5
677.33844	43.1
678.34424	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	675.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.6
59.66716	0.5
61.98819	0.8
67.01877	0.8
68.10716	0.5
69.03462	0.7
69.18026	2.9
69.18454	2.4
71.01376	2.5
72.99304	1.1
73.02947	0.9
79.01901	1.2
83.01361	1.3
85.02941	1.6
85.17635	0.5
93.03497	0.6
95.01376	2.2
97.02938	0.7
101.02412	2.1
107.01385	5.7
109.02942	0.6
111.00871	3.3
111.58061	0.5
113.02435	1.0
123.00895	15.0
124.01653	1.5
125.02448	23.6
126.02813	1.2
127.00358	1.5
127.04021	0.6
136.98755	1.2
139.00395	6.0
140.01131	3.5
141.01921	1.9
151.00377	11.7
151.03986	1.0
152.00751	0.8
153.01952	1.0
163.04028	0.8
167.03539	0.5
168.00589	3.8
169.01433	26.3
170.01712	1.4
171.02008	0.6
179.43469	0.5
209.11746	0.8
210.12341	0.5
211.02385	0.9
223.08563	0.6
250.33609	0.6
287.05472	1.0
301.29892	0.6
313.05582	1.6
523.21960	4.0
647.51178	0.8
675.22894	15.9
675.35657	100.0
676.23291	2.9
676.36072	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	675.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50924	1.6
72.64475	0.8
76.08474	0.9
78.95909	32.6
79.43371	0.9
83.14261	0.8
85.02946	1.0
92.84402	1.0
96.96952	2.6
105.01660	0.9
110.98528	2.5
152.99591	37.5
165.12854	1.0
166.84521	0.9
167.01169	1.4
167.14400	1.2
171.00656	3.2
171.10219	1.1
171.70049	0.8
177.12927	1.1
183.13910	8.6
191.67928	0.9
193.12364	2.3
207.10262	0.9
209.11861	1.2
211.13400	100.0
212.13712	6.0
223.98370	0.9
225.11345	3.2
225.44208	1.0
227.03227	3.4
239.12889	1.6
241.12642	1.1
253.21732	27.2
254.22098	2.5
255.23332	4.2
279.23367	1.5
281.24768	4.1
347.12689	3.8
407.14395	1.5
421.16342	2.9
439.17383	97.4
440.17703	8.4
483.27420	3.2
642.25226	1.0
657.37384	1.2
675.38788	30.6
676.38837	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	677.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.8
56.73321	0.7
57.03429	0.8
59.01379	4.4
61.98827	8.2
66.92013	0.6
67.01898	0.8
68.99786	0.7
69.03430	1.6
71.01384	4.1
72.99313	0.9
73.02948	1.3
77.10359	0.7
77.28764	0.6
78.95911	1.2
79.01883	0.9
83.05041	0.9
85.02955	1.6
85.06560	0.7
87.00887	1.0
88.98788	1.0
89.02457	1.5
93.03443	0.6
95.01381	1.9
96.96040	1.0
97.02924	1.1
101.02438	1.8
107.01398	4.8
109.02948	0.6
111.00896	3.7
113.02478	1.3
113.06141	0.5
123.00875	11.3
124.01724	2.1
125.02446	33.4
126.02779	1.1
127.00352	1.4
136.98793	2.3
137.02425	1.9
139.00377	7.4
140.01195	5.4
151.00362	9.1
151.04047	0.6
151.11266	1.5
163.11252	0.9
166.99850	0.7
168.00642	8.5
169.01421	35.9
169.12331	6.3
170.01700	0.9
171.10280	4.3
177.23027	0.6
181.01379	2.9
183.03076	0.8
185.11812	0.7
193.01390	1.3
195.03009	1.6
198.51933	0.6
199.09758	1.8
199.98251	0.6
201.11343	2.3
207.10326	0.7
209.11801	10.9
210.12155	1.9
211.02496	1.7
211.13429	6.1
213.11237	1.2
227.12967	1.4
253.09309	1.3
257.16599	0.6
264.10068	0.7
287.09222	0.9
290.11566	2.3
313.05630	0.9
317.13937	1.4
319.15451	6.8
320.15921	0.7
345.13409	13.9
346.13693	1.5
361.13315	0.7
363.14471	100.0
364.14890	9.5
405.15588	10.1
406.15857	0.9
435.16736	2.3
441.54132	0.6
465.17563	12.6
466.07404	0.8
466.17853	1.5
501.61844	0.7
507.18753	9.4
508.19077	2.2
525.19690	22.7
526.19904	3.1
633.30823	2.1
659.32886	5.0
660.32904	0.9
676.35474	1.1
677.21021	17.6
677.33881	7.2
678.21350	3.3
678.31976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96656	0.3
55.01879	1.1
57.03432	1.1
58.00589	2.6
59.01378	51.4
60.01720	1.0
61.98828	4.1
66.72527	0.3
69.03458	2.9
70.79079	0.3
71.01379	41.2
72.99303	2.8
73.02946	6.8
75.00884	1.3
78.95894	6.7
78.96306	0.4
81.03474	1.8
83.01385	4.8
83.05028	0.8
85.02946	9.8
86.00117	0.6
87.00342	0.6
87.00877	11.5
87.04534	0.7
87.91750	0.4
89.02444	39.8
90.02806	0.5
91.04006	0.8
91.73286	0.4
93.03470	0.8
95.01388	2.8
96.96951	0.5
97.02943	7.6
97.86008	0.3
99.00890	2.3
99.04532	0.6
101.02437	32.8
102.02806	0.7
103.00376	0.5
109.02946	0.7
111.00887	0.6
111.04498	1.7
113.02450	18.5
114.02784	0.6
115.04035	1.2
119.03496	11.8
121.02964	0.7
123.04491	0.6
124.01642	0.5
125.02444	13.0
126.06586	0.4
127.04044	0.8
129.01871	0.5
131.03517	1.4
133.05058	0.9
137.02466	0.4
139.03999	1.2
141.01917	0.6
143.03502	5.7
149.04585	1.2
152.99559	2.4
157.05048	0.4
161.04561	8.6
167.03516	0.7
169.05057	0.7
169.12340	0.4
179.03920	0.5
179.05582	7.7
179.07022	0.6
185.04538	0.8
199.06154	0.7
203.05600	0.4
207.10229	0.4
217.07173	1.1
219.05212	0.4
221.06581	2.7
233.22847	0.5
235.08203	14.7
236.08699	0.6
245.06693	1.1
253.09274	4.3
259.20761	0.7
263.07730	2.2
277.09305	1.3
277.21701	100.0
278.22034	9.8
287.07724	4.5
288.08185	0.5
295.22638	0.7
305.08682	3.5
323.09799	1.8
361.11478	0.7
379.12402	1.4
397.13486	81.5
398.13806	6.9
415.14539	35.7
416.14835	3.0
577.96271	0.5
644.67310	0.4
657.33838	0.8
675.34949	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	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
57.03434	1.1
58.00595	2.3
58.32844	0.5
59.01381	55.4
64.34069	0.4
69.03467	2.5
71.01382	42.2
71.47296	0.5
72.01709	0.8
72.08604	0.4
72.99324	2.4
73.02945	7.9
75.00870	0.7
81.03442	1.5
83.01382	4.4
85.02953	9.2
85.84241	0.5
87.00878	10.8
87.04501	0.6
89.02447	40.9
90.02755	0.5
95.01380	3.4
95.05016	0.6
95.79372	0.4
97.02956	6.4
98.19872	1.5
99.00896	2.3
99.04539	0.7
101.02445	33.0
102.02811	0.6
103.00354	0.7
103.03979	0.5
109.02950	0.9
110.44341	0.5
111.00883	0.7
111.04528	1.4
113.02450	17.5
115.04015	0.8
119.03503	10.5
121.02992	0.7
125.02446	13.1
127.03989	0.5
127.07593	0.6
128.07101	0.4
131.03496	1.6
133.05063	0.8
139.04015	1.0
141.01921	1.0
143.03510	7.2
149.04581	1.3
161.04553	8.0
167.03465	1.2
171.02989	0.5
179.05620	6.5
185.04524	1.1
203.05614	0.7
217.07153	1.3
221.06619	2.2
229.05870	0.6
233.06667	0.5
233.22813	0.6
235.08208	15.6
236.08446	0.9
245.06520	0.8
253.09233	3.9
259.20953	0.6
263.07642	1.9
275.20197	0.6
277.09290	1.6
277.21716	100.0
278.22058	9.0
286.26157	0.5
287.04916	0.7
287.07748	3.8
305.08774	4.7
323.09949	1.5
361.11194	0.8
379.12500	1.4
397.13498	81.7
398.13773	5.9
415.14563	32.9
416.14862	2.8
582.08148	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01365	1.5
61.98845	0.5
62.30626	0.4
67.01884	1.1
68.99821	0.5
69.03439	0.9
70.75803	0.4
71.01392	2.2
72.99303	0.6
79.01908	1.2
81.03453	0.8
81.90907	0.4
83.01390	1.6
85.02960	1.2
87.00867	0.6
87.83861	0.4
88.98788	0.8
89.02464	0.5
93.03481	0.5
95.01385	3.2
97.02930	1.3
98.20638	1.6
99.00866	0.8
101.02470	1.0
107.01386	7.9
110.00119	0.4
111.00865	3.5
121.17419	0.5
123.00886	14.9
124.01690	3.1
125.02444	42.2
126.02771	1.4
127.00372	1.7
136.98813	1.9
137.02444	1.0
139.00380	6.0
140.01154	5.4
141.01945	0.9
151.00351	9.5
153.01913	1.2
163.04028	0.9
166.99821	0.8
168.00633	7.3
169.01421	45.8
170.01768	1.8
175.03967	0.5
179.03502	1.0
191.03513	0.4
193.01413	0.6
193.04987	0.7
207.02986	0.5
209.11833	0.7
209.15488	0.7
211.02470	1.8
237.04094	1.0
252.08469	0.4
252.38097	0.4
295.04639	0.8
313.05612	1.4
470.28088	0.5
505.20816	7.7
506.20953	1.1
523.21887	12.2
524.22302	2.0
674.34589	3.3
675.23090	100.0
675.35327	16.8
676.23315	19.7
676.34991	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53647	0.6
59.01354	2.7
61.98809	0.8
67.01877	0.7
69.26334	3.8
69.26757	2.2
71.01376	3.1
73.02930	0.9
76.46705	0.7
79.01881	2.1
80.75571	0.7
83.01393	1.0
85.02931	1.0
95.01382	2.7
101.02402	1.7
107.01392	5.6
110.00072	1.2
111.00889	2.9
113.02472	1.0
123.00889	16.2
124.01717	1.2
125.02454	23.4
126.02746	1.9
127.00362	1.4
136.98787	1.7
137.95793	0.6
139.00378	7.0
140.01151	4.4
140.84145	0.7
141.01881	2.0
151.00381	9.4
152.00618	0.7
153.01952	1.3
163.03911	0.8
168.00662	3.2
169.01440	27.7
170.01775	1.4
175.44724	0.6
181.05008	0.8
209.11816	1.3
211.02411	1.2
230.49344	0.6
313.05591	1.2
402.22675	0.6
510.91937	0.7
523.21716	4.4
524.21667	0.7
637.69604	0.7
675.22864	15.4
675.35620	100.0
676.22986	3.9
676.36017	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	675.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.8
61.98822	1.4
64.26148	0.8
67.01882	1.4
68.99810	0.9
69.03434	1.4
69.48569	5.2
71.01385	5.0
72.99316	1.0
75.43205	0.8
78.95892	1.0
79.01881	1.8
83.01385	1.7
85.02932	1.5
86.29117	0.9
88.98803	1.6
89.02438	1.7
95.01367	3.3
96.96023	7.2
101.02457	2.0
107.01392	13.3
107.02719	0.8
109.02927	2.4
110.00114	1.2
111.00878	5.6
113.02443	2.4
121.02953	2.1
122.03733	2.7
123.00889	15.0
124.01685	4.5
125.02448	37.7
126.02779	2.1
127.00383	2.0
133.02879	0.8
135.04494	1.4
136.98798	4.6
137.02425	1.3
139.00388	7.9
139.03992	5.1
140.01169	8.7
151.00330	6.8
153.01904	2.5
154.99873	1.2
163.07559	1.4
165.05496	1.0
165.09221	11.8
166.99803	1.0
168.00618	12.0
169.01414	53.6
170.01735	2.5
177.05562	1.0
181.01405	2.0
183.02959	14.3
184.03279	1.2
191.05531	2.1
191.07133	21.3
205.38428	0.9
209.08185	34.5
210.08490	1.5
211.02400	1.8
223.02293	1.0
304.40482	0.9
313.05630	15.6
314.05777	1.3
347.14810	1.0
359.11343	3.5
361.16379	1.7
371.13699	1.5
401.10681	1.2
404.69281	0.8
426.48062	0.9
499.15802	1.6
513.18677	1.2
523.14545	74.7
524.14783	8.9
585.25531	2.1
595.17365	1.1
675.22931	100.0
676.23334	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
57.03430	0.4
59.01376	1.8
62.73906	0.2
65.00320	0.3
67.01893	0.6
68.99792	0.2
69.03432	0.2
69.31897	0.7
69.32318	1.1
70.29121	0.2
71.01386	2.5
72.99284	0.4
73.02956	0.5
74.96085	0.2
79.01898	0.6
83.01355	0.7
85.02945	1.2
89.02457	0.3
90.94312	0.2
91.61860	0.2
95.01379	1.2
97.02976	0.5
97.03596	0.2
99.00881	0.3
101.02445	1.3
107.01396	2.5
110.00095	0.3
111.00896	1.0
113.02438	0.6
123.00893	10.6
124.01660	0.7
125.02449	11.8
126.02742	0.3
127.00393	0.7
136.98819	0.7
137.02449	0.4
139.00366	3.2
140.01175	2.5
141.01921	1.2
143.56140	0.3
150.99193	0.4
151.00372	7.6
152.00685	0.4
153.01973	0.7
163.04022	0.3
168.00647	2.5
169.01422	14.8
170.01752	0.8
179.03496	0.2
181.05045	0.4
209.08136	0.2
211.02466	1.1
223.02425	0.3
253.03430	0.3
271.04562	1.2
313.05609	1.2
487.17511	0.3
523.21826	100.0
524.22150	14.2
580.85846	0.2
650.09070	0.2
675.23016	1.3
675.35034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.8
60.99301	0.8
67.01891	2.8
69.03454	1.0
70.10793	0.6
71.01384	3.4
71.51487	0.7
74.99101	0.5
81.03444	1.2
83.05034	1.1
84.09621	0.6
85.02948	11.6
87.00874	8.7
93.03458	25.4
96.95998	3.7
96.99308	1.5
99.00925	0.7
101.02457	0.7
109.02890	1.3
111.02597	0.7
111.04513	5.2
112.91913	0.6
115.00374	1.2
117.03464	0.7
119.05024	5.4
125.02442	4.6
127.04027	3.1
131.05058	1.5
133.02980	1.5
136.87552	0.6
137.02441	1.0
143.05043	5.8
145.02902	0.7
155.03511	1.5
158.41443	0.7
159.64265	0.6
163.03960	2.7
169.01430	2.5
171.03073	1.6
171.04498	1.3
173.04558	9.0
191.05603	100.0
192.05946	3.2
210.06712	0.9
211.07631	13.9
212.07921	1.3
235.07623	1.5
237.09224	1.7
265.00903	0.6
265.08630	9.6
266.08777	0.6
279.08713	5.3
289.05597	1.1
300.99905	1.7
309.07703	2.9
327.08719	26.2
328.08896	1.3
381.15549	1.3
442.04199	0.8
483.12964	4.6
501.13947	13.0
502.14377	1.6
675.19208	59.8
676.19519	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	675.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46923	0.6
57.03405	0.6
59.01344	2.1
61.32295	0.7
61.98804	0.6
67.01861	0.8
69.99216	2.4
71.01379	3.3
72.94514	0.7
81.03404	0.8
83.01344	0.9
85.02944	0.7
88.98759	0.9
89.02403	1.3
93.03400	0.8
95.01357	2.0
96.96008	7.7
97.02947	0.9
98.20762	0.6
101.02402	2.0
107.01389	6.9
108.02191	0.8
109.02895	1.6
111.00808	2.4
113.02418	1.4
121.02898	0.8
122.03758	3.3
123.00898	7.0
124.01597	2.2
125.02448	32.9
126.02742	1.0
127.00311	1.5
135.04538	3.5
136.01627	0.9
136.98726	2.0
137.02394	0.7
139.00357	4.3
139.03934	2.1
140.01166	4.1
141.01854	1.3
151.00383	4.9
153.01849	1.5
165.05487	0.7
165.09207	17.7
166.99847	0.6
168.00635	6.5
169.01422	46.3
170.01669	2.0
172.54674	0.6
183.02957	3.5
191.07137	26.2
209.08189	48.9
210.08450	2.7
211.02390	1.8
223.02208	0.6
241.03450	0.8
264.40182	0.6
271.04498	1.1
313.05615	20.0
314.05930	0.9
359.11331	1.0
371.13333	2.0
371.52231	0.6
404.08557	0.6
499.15884	0.7
523.14557	100.0
524.14807	13.3
595.16327	1.4
610.98602	0.6
675.23102	27.5
675.35052	1.1
676.23792	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	675.193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67780	0.3
59.01373	0.9
67.01896	0.4
71.01382	0.7
83.05027	0.4
85.02955	6.4
87.00884	1.4
93.03454	3.2
99.00835	0.4
99.04484	0.3
102.03143	0.3
109.02921	0.7
111.04533	1.2
119.04989	0.5
127.04028	1.9
145.02954	0.8
162.19142	0.3
163.04018	1.0
171.03053	0.4
173.04616	1.6
185.65009	0.3
191.05618	100.0
192.05962	3.2
229.50945	0.4
337.09286	21.7
338.09598	1.7
359.55774	0.3
403.82202	0.3
585.12579	0.3
675.19080	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	675.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.7
60.99319	1.0
66.74490	0.5
67.01899	1.9
69.03453	0.8
69.17999	1.4
69.18414	3.2
71.01386	1.3
73.82627	0.4
81.03478	0.9
83.05023	0.5
85.02953	11.2
87.00883	5.1
93.03461	14.5
99.04525	0.7
109.02931	0.7
111.04536	2.4
113.02470	0.6
119.05028	2.6
125.36407	0.5
127.04041	2.1
129.01930	0.8
143.05046	0.5
145.02881	0.5
155.03461	0.8
163.04044	2.4
171.03023	0.6
173.04544	6.8
191.05617	100.0
192.05934	3.5
211.07645	2.1
265.08832	1.0
327.08737	3.8
337.09314	4.5
356.88986	0.5
390.10602	0.5
483.12839	1.2
501.14157	1.6
634.97955	0.6
675.19324	41.8
676.19696	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	673.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46130	0.6
51.93080	0.7
57.80333	0.7
58.36969	0.6
70.52624	0.7
77.16241	0.6
78.95904	29.2
88.75651	0.7
96.96983	2.1
103.32230	0.7
110.98531	1.6
115.92087	1.0
145.97250	0.7
149.33971	0.8
152.99586	37.8
153.99881	0.7
161.59349	0.7
163.11365	1.1
167.01161	1.0
171.00633	3.2
207.10307	1.0
209.11821	100.0
210.12138	5.9
211.13393	11.0
212.13795	0.7
227.03238	5.4
239.32115	0.6
245.04227	0.9
245.17517	1.3
253.21730	21.9
254.22078	2.2
255.23273	7.2
267.26978	0.6
273.59555	0.6
279.23318	8.5
281.24890	1.3
286.64993	0.7
345.10971	2.2
391.22418	0.9
409.23572	0.8
419.15103	0.8
437.15787	84.0
438.16162	7.1
463.24268	1.1
483.27194	2.6
627.03540	0.9
673.37213	18.2
674.37225	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	674.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50070	0.3
52.55140	0.3
55.86429	0.3
58.50909	0.3
59.01370	0.9
60.10371	0.3
61.98830	100.0
70.12852	0.2
71.01382	1.6
71.42036	0.3
71.50074	0.3
75.04609	0.3
78.95911	2.3
80.76084	0.3
91.78947	0.3
96.96997	0.4
98.92120	0.3
101.02425	0.4
128.17273	0.3
152.99593	1.1
169.01329	0.4
171.10382	0.5
199.13487	0.3
200.13834	0.4
201.11314	0.4
207.10277	0.6
209.11815	1.9
210.12209	0.9
211.13429	1.6
212.13855	1.1
225.11224	0.6
227.12883	0.6
235.08470	0.3
638.33179	0.4
674.22900	0.4
674.35199	0.8
675.21967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10954	1.0
57.03431	1.8
57.45670	1.0
58.00576	2.0
59.01385	13.3
61.98833	13.3
69.36079	5.4
69.36501	2.5
71.01384	52.4
71.04996	1.5
72.01702	1.2
73.02940	4.4
75.21145	0.9
76.89110	0.9
78.95910	16.6
80.02657	1.1
81.03460	3.1
83.01363	2.3
83.05022	6.9
84.16989	0.9
85.02937	3.3
87.00882	3.1
89.02438	5.7
92.23994	1.1
95.01385	1.4
95.05016	2.4
97.02943	5.0
97.06509	1.0
99.00872	3.0
101.02446	9.0
109.06599	9.7
113.02425	5.3
119.03490	1.6
121.06574	1.1
123.08173	1.1
125.09685	3.8
133.63504	1.0
135.08183	1.6
142.02733	2.0
145.05080	2.1
152.99582	8.4
155.10764	2.1
161.04521	3.4
161.09663	2.1
163.11279	13.2
164.11539	1.6
165.12811	4.5
169.12323	1.6
171.10251	11.5
179.05629	1.0
179.10779	1.4
181.12332	6.0
183.13892	12.2
185.11809	3.8
189.09102	1.4
191.10768	1.6
193.12288	2.7
197.11821	2.5
199.09668	1.9
199.13380	25.2
200.13623	1.4
201.11337	9.3
207.10260	31.1
208.10573	3.2
209.11830	83.7
210.12175	8.1
211.13402	100.0
212.13834	5.8
215.12848	1.8
225.09235	1.9
225.11324	26.2
226.11659	2.8
227.12891	71.5
228.13309	4.9
229.14415	2.5
235.08273	6.2
235.13298	2.1
237.14864	1.0
243.12334	2.4
245.13785	1.2
247.13312	1.7
249.14880	1.6
253.09297	17.3
253.14432	1.6
265.14502	1.2
293.21402	1.6
295.22577	1.1
296.22998	1.0
311.22205	1.8
339.23462	1.0
357.24179	1.3
361.10791	1.6
368.64175	1.2
373.23486	2.1
375.25519	1.9
379.11774	1.5
383.22363	2.1
391.24991	1.2
401.23120	7.0
402.23734	1.3
419.24344	5.4
437.25363	1.2
443.19321	1.7
445.20776	1.4
447.21762	3.2
461.20129	5.1
463.21796	11.5
464.21884	1.2
537.87036	1.4
623.20050	1.2
637.32202	8.5
638.32538	1.4
655.32922	12.1
656.34216	3.9
673.34119	28.5
674.34741	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	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.2
58.00607	0.2
59.01377	2.1
71.01384	1.8
73.02959	0.3
80.02683	1.2
81.03469	1.1
83.01369	0.4
83.04520	0.3
83.05025	5.4
84.02158	0.5
85.02947	0.4
87.00890	0.4
87.04555	0.2
89.02437	1.5
93.03520	0.2
95.05025	0.8
97.06583	0.4
98.20651	0.6
101.02428	1.9
109.06580	0.4
113.02449	0.9
119.03526	0.3
123.08111	0.2
125.06090	0.5
135.08167	0.6
147.11794	0.4
149.09731	0.3
161.04541	0.8
163.11292	3.9
164.11488	0.2
165.12851	2.5
171.10277	2.1
181.12358	0.7
191.10800	1.1
209.11816	100.0
210.12161	5.8
221.11801	0.4
227.12874	10.9
228.13179	0.7
235.08199	1.3
247.13477	1.1
252.63623	0.3
253.09279	5.4
254.09811	0.3
265.14359	0.6
401.23523	0.3
445.21274	0.3
462.35571	0.3
519.19110	0.2
637.32489	0.8
652.07703	0.2
655.32977	0.4
673.33386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08558	0.2
59.01377	2.7
64.34064	0.2
64.68907	0.3
65.78325	0.3
71.01369	1.7
73.02944	0.4
80.02686	1.0
81.03453	1.3
83.01376	0.5
83.05026	4.9
83.05489	0.5
84.02164	0.6
85.02975	0.5
85.36434	0.3
87.00877	0.4
89.02413	1.4
95.01387	0.4
95.05019	0.6
99.13224	0.3
101.02438	1.7
110.82098	0.3
113.02507	0.7
119.03476	0.4
120.57671	0.3
125.06094	0.6
125.09667	0.5
135.08162	0.7
135.79399	0.3
161.04565	0.7
163.11293	3.9
165.12827	2.5
171.10265	3.1
181.12337	0.7
191.10794	1.3
199.13341	0.4
209.11823	100.0
210.12178	6.2
221.81380	0.2
227.12881	12.6
228.13159	0.8
235.08125	1.6
247.13490	1.4
247.15556	0.3
253.09290	4.4
254.09785	0.4
265.14557	0.4
266.11749	0.3
355.33148	0.3
445.20718	0.5
611.30750	0.4
637.32385	0.9
655.33392	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35480	0.7
59.01364	1.9
59.32177	0.6
67.01888	1.1
69.03459	0.9
70.82047	1.7
71.01375	3.9
72.99283	0.8
77.89967	0.7
77.98501	0.7
79.01913	1.0
83.01379	1.4
83.25417	0.6
85.02956	1.7
87.00853	1.0
95.01369	2.0
96.96000	1.0
97.02957	1.4
98.20627	0.8
99.00848	0.8
101.02453	2.3
104.18785	0.8
107.01385	10.6
109.02946	5.2
111.00874	2.7
113.02472	1.3
121.02984	0.9
123.00881	13.4
124.01656	1.3
125.02444	46.8
126.02787	0.9
127.00381	1.2
136.10760	0.7
136.98851	1.4
137.02425	1.6
139.00381	5.0
139.03984	1.0
140.01134	2.7
141.01965	1.0
151.00351	9.9
153.01932	0.9
159.04538	2.7
168.00630	3.2
169.01411	50.6
170.01765	2.4
173.05989	2.5
183.02950	4.5
189.05516	2.0
191.07051	1.4
211.02498	1.2
231.05568	0.9
240.04340	0.9
241.05174	4.3
253.26463	0.7
255.02930	1.0
255.06540	2.7
256.03223	1.1
267.06610	1.4
271.02469	2.9
272.02640	1.8
287.15137	0.9
299.09183	3.7
300.02823	5.5
301.03122	5.5
302.03400	1.1
313.02246	1.2
313.05652	14.7
313.10837	6.0
323.60641	0.8
329.10315	1.9
344.12595	10.8
345.09555	1.1
345.13339	7.3
346.13693	1.0
357.56769	0.8
359.14984	17.5
360.15179	1.7
452.07419	0.7
605.25793	0.8
610.14905	6.0
611.14911	1.1
673.21307	100.0
674.21619	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	673.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85308	0.7
58.00592	1.2
59.01084	1.0
59.01379	6.7
61.98831	2.3
62.19316	0.7
69.98361	3.8
71.01380	5.3
71.43808	0.7
73.02942	2.2
78.95908	0.8
80.02659	1.2
80.05054	2.2
81.03455	2.4
81.49747	0.7
81.68822	0.7
83.05037	3.8
83.24624	0.7
84.02139	1.0
85.02951	1.3
87.00902	1.1
89.02441	3.2
95.05034	1.3
97.02907	0.8
98.19986	1.2
101.02477	5.5
104.05061	1.1
106.06628	1.1
107.01408	1.9
107.03764	2.6
108.02175	1.1
109.06586	1.5
111.00981	0.9
113.02477	1.6
122.06125	15.4
123.00889	2.5
125.02443	7.0
125.06008	0.9
125.09698	1.1
134.06139	4.5
135.08086	0.9
139.00372	0.9
140.01114	1.0
141.45256	0.7
144.74387	0.8
148.04070	1.1
151.00371	1.8
152.01105	1.1
152.07178	18.6
161.04588	1.8
163.11259	4.7
165.12856	2.6
168.00729	0.9
169.01462	9.4
169.12334	1.3
171.10220	2.3
174.05640	1.3
181.12344	2.6
185.11848	1.2
188.07162	1.3
191.10733	1.2
199.13380	9.5
200.13795	1.0
207.10292	1.7
209.11833	100.0
210.12198	6.2
211.02483	1.2
211.08746	0.9
211.13438	1.1
213.10323	3.2
217.19705	0.7
225.11145	2.9
226.11462	1.6
227.12900	62.0
228.13211	4.4
229.14468	1.3
235.08279	4.2
239.11917	4.1
241.13452	2.9
245.12967	3.6
245.63602	0.7
247.13400	2.1
251.08008	1.0
251.12039	1.0
253.09329	9.1
265.09863	1.9
265.14227	0.9
271.04578	0.9
278.07312	1.6
279.07611	1.4
285.12460	6.3
293.09320	5.1
293.13019	2.4
294.09830	1.7
295.10828	6.3
305.06613	2.5
307.10886	2.3
313.11752	1.3
323.10385	1.8
325.11826	1.2
337.08328	2.5
339.09824	1.3
351.09592	1.2
355.12927	1.2
358.15591	2.7
389.71243	0.8
400.16684	3.1
401.23215	2.6
412.16544	1.9
419.24582	1.3
432.19122	0.9
445.20599	2.0
459.17889	1.6
460.18546	3.3
461.20734	0.8
463.21863	4.5
474.20499	1.7
476.18179	2.3
486.16705	0.9
503.17096	1.0
504.17810	5.5
518.19452	5.9
518.26440	1.0
550.22302	4.2
565.15961	1.5
565.24512	19.0
566.24835	3.2
597.27094	1.2
609.23511	10.3
610.23865	1.5
637.32550	4.2
641.26190	30.2
642.26086	5.7
655.33502	3.9
673.18756	1.4
673.35522	11.0
674.34015	3.1
677.37427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90930	4.4
59.01381	12.1
66.26704	4.1
71.01405	8.7
71.49846	7.3
77.30716	4.6
89.02425	9.4
92.71049	4.8
101.02428	9.9
118.97811	5.6
120.34614	4.7
123.00878	12.6
125.02438	20.6
131.59225	5.1
139.00346	6.3
151.00420	13.8
169.01433	44.6
191.05510	5.5
211.02391	11.8
271.04596	13.7
316.36212	4.7
331.06677	100.0
457.64578	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	673.2133
Annotation	Premithramycin A2'
Peak:m/z	Relative Intensity
53.55503	1.3
56.13517	1.4
59.01366	6.1
61.98814	1.4
66.48435	1.3
67.01874	2.0
68.99809	1.7
69.03442	2.2
70.44854	1.2
71.01358	6.7
72.99310	2.8
79.01894	2.7
83.01399	2.0
85.02950	4.0
87.00851	1.3
93.03452	1.5
95.01383	7.4
97.02975	1.7
99.00895	1.4
101.02435	4.2
107.01385	15.0
111.00892	7.6
121.02976	3.3
123.00887	37.6
124.01672	3.2
125.02450	53.8
126.02863	1.9
127.00373	3.5
136.98798	4.9
137.02455	2.1
139.00391	15.9
139.04016	3.6
140.01151	12.2
141.01901	1.9
151.00383	15.5
153.01852	1.9
165.01875	1.4
166.99847	4.2
168.00627	16.7
169.01421	56.6
170.01707	3.2
177.04022	1.6
179.94142	1.4
183.02983	7.8
211.02446	11.0
214.53227	1.2
229.34297	1.8
240.04205	1.6
251.06377	1.4
255.06705	1.3
268.07275	1.8
269.08221	2.7
271.04587	6.0
281.08289	4.3
282.08893	2.0
283.09573	2.3
300.09805	1.8
302.77301	1.5
313.05728	1.9
315.12311	4.3
326.11572	2.7
327.12357	2.9
329.05063	1.8
329.13995	3.5
331.28146	1.4
341.13956	2.3
355.12048	1.7
360.10593	1.3
434.80804	1.5
462.15244	2.0
471.23935	1.3
476.16830	4.5
477.17508	12.8
478.18329	1.9
489.18182	2.0
491.19241	4.8
521.20569	3.5
537.16174	5.5
643.20319	100.0
644.20428	18.9
655.20337	53.1
656.20612	10.1
673.21368	80.4
673.32520	2.8
674.21851	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	672.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90062	1.2
59.57038	1.3
60.24091	1.1
61.98828	3.6
69.15195	1.2
69.34916	10.8
71.31910	1.3
74.92770	1.1
87.66330	1.1
92.87564	1.2
107.01434	2.0
108.02170	1.4
134.03239	1.4
148.01738	1.8
150.01566	1.3
151.00360	2.9
178.99832	1.9
197.01057	1.3
227.03609	1.9
243.02995	6.6
254.02209	2.2
255.02994	19.2
271.02469	49.8
272.02957	4.4
299.02014	2.9
300.02771	100.0
301.03217	8.6
370.01935	1.3
370.06424	1.5
609.14612	88.8
610.14880	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	672.142
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42397	4.8
69.42805	7.2
71.44476	1.7
90.11906	2.0
99.61154	1.8
107.01373	2.2
151.00342	10.1
162.05620	5.2
163.00406	2.0
169.01364	3.0
170.43829	1.9
178.99857	4.1
206.04558	4.4
227.03430	3.0
243.02951	7.1
255.02931	18.3
271.02441	45.0
272.03186	3.4
300.02747	76.8
301.03400	26.8
302.03772	2.6
321.44247	1.9
360.22186	1.9
368.10068	3.1
520.10809	6.4
609.14587	100.0
610.14825	11.8
673.23383	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	671.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.5
59.01381	3.8
61.98829	2.3
65.00315	0.6
67.01885	1.0
69.03442	0.5
69.85653	2.2
71.01391	2.8
72.99285	1.0
73.02950	0.7
75.76582	0.5
79.01894	1.3
81.03443	0.5
83.01386	0.8
85.02947	1.6
87.00865	0.7
89.02467	1.1
95.01388	2.2
97.02933	0.7
98.20066	0.7
101.02435	1.4
107.01385	5.3
111.00861	2.0
113.02448	1.3
117.77339	0.4
123.00877	13.6
124.01608	1.4
125.02446	19.5
126.02776	0.9
127.00343	0.7
136.98793	2.0
137.02466	0.6
139.00380	5.0
140.01161	3.3
141.01909	1.3
151.00356	9.1
152.01003	0.5
153.01999	0.7
163.03996	0.6
165.09123	0.6
168.00661	4.8
169.01411	24.5
170.01767	0.8
209.11734	1.4
211.02472	7.1
225.11308	0.9
271.04553	5.1
272.04559	0.5
301.03342	0.5
313.05493	1.0
414.96838	0.5
509.30612	0.7
641.31696	1.4
671.32770	100.0
672.33105	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	671.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03433	0.9
59.01377	11.4
62.91230	0.5
62.93264	0.5
65.03957	0.6
71.01371	6.5
71.01656	0.6
73.02950	1.9
75.58117	0.5
75.60958	0.7
77.89370	0.6
80.02672	2.2
81.03455	3.0
83.01381	1.2
83.05025	8.5
84.02183	1.1
85.02952	2.0
87.00878	0.9
89.02439	3.9
93.03461	2.1
93.62701	0.6
95.05032	1.7
97.02963	5.9
97.06578	1.0
99.00864	1.4
101.02451	5.2
106.04237	0.9
109.06590	24.7
110.03762	1.9
110.06960	1.1
111.04496	0.9
113.02464	2.8
119.03505	1.1
120.92640	0.7
121.06612	2.2
122.06126	1.0
123.08154	0.9
125.02483	0.8
125.09734	2.0
135.08179	3.8
136.05298	0.8
137.78741	0.6
142.02661	0.9
145.05031	0.7
161.04553	2.1
161.09746	1.7
161.41388	0.7
163.11287	16.9
164.11610	1.5
165.12874	3.3
171.10205	4.0
181.12357	3.7
185.11830	2.3
189.09189	0.9
191.10803	1.3
199.13478	0.9
201.11327	1.0
205.08771	0.6
207.10254	61.4
208.10561	3.6
209.11823	100.0
210.12157	6.6
217.12280	1.0
221.11865	1.0
223.13374	1.1
225.11314	27.9
225.13550	1.5
226.11676	2.2
227.12875	10.9
231.10330	1.3
235.08221	4.2
235.13335	1.5
243.12334	0.7
249.11351	1.6
253.09309	9.5
263.12814	1.7
265.14542	1.1
293.09314	0.6
299.14938	0.9
355.22748	0.7
399.21808	5.5
400.22076	0.8
417.22867	5.2
418.23495	0.9
428.13120	0.7
435.23990	0.8
443.18900	3.2
461.20276	10.2
462.20294	0.7
502.16330	1.0
625.32489	0.9
627.30237	0.8
635.30847	10.3
636.30823	1.8
639.24341	0.9
653.31836	13.7
654.31824	3.5
671.32782	25.0
672.32764	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	671.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
59.01381	4.1
61.98817	0.6
67.01890	1.3
68.99805	0.5
69.03442	0.7
69.19473	1.2
69.19882	3.4
71.01373	3.4
72.99320	0.8
73.02922	0.6
79.01889	1.5
82.13544	0.4
83.01399	1.0
83.05060	0.5
85.02947	1.5
87.33355	0.4
89.02426	1.0
95.01402	2.4
97.02946	0.9
101.02432	1.9
107.01397	4.3
108.02180	2.5
109.02941	1.3
109.06549	0.6
111.00874	2.5
112.54344	0.4
113.02442	1.2
121.02925	1.0
123.00882	15.9
124.01673	0.9
125.02449	21.5
125.09715	0.5
126.02774	0.5
127.00299	1.0
136.98787	1.5
137.02435	0.6
139.00356	5.4
139.80978	0.5
140.01189	3.2
141.01897	1.9
151.00377	9.6
152.01144	2.4
153.01938	2.2
163.03940	0.6
163.11201	0.8
168.00627	4.5
169.01431	25.3
170.01758	0.9
171.10222	1.2
172.48839	0.5
179.10751	0.6
180.65549	0.5
201.11380	0.9
204.99429	0.6
207.10307	2.6
209.11818	8.5
211.02426	2.6
225.11345	6.6
227.12837	1.2
253.09279	1.3
271.04568	2.0
301.40167	0.4
310.16406	0.5
313.05682	1.5
373.25522	0.6
443.19162	0.6
461.20401	0.7
519.15045	2.7
561.18848	0.5
635.30579	0.5
641.30780	0.6
653.31665	1.3
671.32806	100.0
672.33160	18.7
692.98071	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.2
61.98830	1.1
64.96178	0.5
71.01380	6.4
72.99332	0.6
73.02961	1.7
78.95932	1.0
80.02684	1.5
81.03450	3.0
83.01366	1.4
83.05029	7.4
84.02190	1.2
85.02972	2.5
87.00913	0.9
89.02449	4.3
91.76871	0.6
93.03462	1.0
95.05038	1.8
97.02954	6.5
97.06572	1.1
98.20756	1.5
99.00874	3.1
101.02446	5.3
107.05045	0.6
109.06592	17.3
110.03733	2.1
111.04552	0.8
113.02468	3.8
121.06623	1.1
123.08159	1.4
125.02404	0.8
125.06084	1.0
125.09740	3.8
127.11275	0.6
135.08176	2.7
136.05278	1.6
142.02711	1.6
145.05075	0.7
145.10147	0.7
151.11328	0.8
161.04539	1.8
161.09694	1.9
163.11293	15.9
164.11646	0.8
165.12839	2.4
171.10263	4.5
179.05669	0.7
181.12372	7.3
185.11781	2.8
189.09160	2.1
189.12808	0.6
191.10814	1.6
197.11836	0.7
199.13399	1.2
201.11357	2.8
207.10262	52.3
208.10556	3.5
209.11827	100.0
210.12193	5.8
213.09184	0.9
221.11754	1.3
223.13446	1.7
225.11317	45.1
226.11647	2.7
227.12894	14.7
231.10265	1.0
235.08273	4.2
235.13380	1.4
237.76927	0.7
243.12381	2.7
249.11118	0.7
253.09306	9.5
263.12955	1.3
265.14493	1.0
299.15018	0.9
355.22870	1.4
355.92581	0.7
373.23822	1.7
399.21744	4.1
417.22678	4.5
418.22821	0.7
435.23962	1.2
443.19238	2.8
445.21005	0.7
461.14362	1.0
461.20334	14.9
462.20709	1.6
609.31049	1.0
625.31519	0.7
627.30872	0.7
635.30646	8.2
636.31586	1.2
653.31836	15.8
654.32123	3.2
671.32831	28.8
672.33087	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	671.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
59.01377	6.4
61.98818	2.7
63.30367	0.6
66.54324	0.6
67.86333	0.7
69.03454	1.0
69.88807	3.2
71.01379	6.8
73.02935	2.4
75.84191	0.6
76.42126	0.6
81.03446	1.1
82.21365	0.6
83.01375	2.1
83.61599	0.6
85.02952	4.7
89.02438	2.1
93.03460	0.9
95.01382	2.7
96.96013	1.7
99.00919	1.0
101.02450	6.1
106.04560	0.7
107.01399	1.4
108.02177	65.8
108.45736	0.6
109.02964	37.5
110.03251	1.3
113.02491	3.0
121.02921	1.8
123.00886	2.8
123.04522	1.2
125.02441	3.8
125.19702	0.6
135.00897	0.7
137.06035	1.4
151.00356	1.5
151.03946	1.0
151.43336	0.7
152.01157	62.2
153.01945	19.9
163.04031	1.7
169.01465	4.5
181.04951	2.0
188.64946	0.7
211.13318	1.1
212.02339	0.7
285.04425	0.6
354.47617	0.6
373.04755	0.6
373.18652	9.5
374.18616	0.9
445.09686	1.5
509.14886	0.7
540.42603	0.6
627.26575	1.2
671.25409	100.0
672.25879	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	671.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51402	0.6
63.87061	0.8
69.06805	0.7
74.73991	0.7
75.29325	0.8
75.29871	0.6
100.89153	0.7
111.00868	2.9
120.95258	0.8
124.01659	2.3
124.50383	0.7
134.42706	0.7
136.98792	1.1
139.00365	1.7
140.01155	2.6
168.00652	4.9
173.84767	0.7
183.02988	100.0
184.03311	4.2
242.95824	0.8
262.78305	0.8
335.04123	9.5
370.35004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.2
62.91537	0.4
65.00787	0.4
71.01383	9.0
71.50780	0.5
73.02943	2.5
73.85128	0.4
80.34327	0.4
83.01395	0.5
85.02948	4.0
89.02462	0.9
93.03473	0.8
95.01405	1.4
95.50900	0.4
99.00892	1.5
99.04520	0.9
100.79394	0.4
101.02433	5.1
101.44263	0.4
108.02180	1.7
109.02965	2.4
113.02441	4.7
121.02991	2.4
121.06614	0.6
122.03738	100.0
123.00876	2.1
123.04580	12.0
124.50920	0.4
125.02511	1.1
135.04523	1.4
136.05263	0.5
137.02448	1.8
137.06073	1.9
143.03499	0.9
147.04539	1.7
150.03224	0.4
159.02975	1.5
161.04558	13.4
161.05907	0.9
162.03177	0.5
165.05560	5.8
166.99889	0.8
167.03474	0.8
169.01448	1.0
177.05510	2.5
191.05635	0.5
205.03459	0.5
221.50369	0.4
276.77832	0.4
285.09778	4.7
286.10260	0.5
329.08759	58.5
330.09003	4.6
465.06519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.7
59.01377	6.4
69.03450	1.9
70.60434	0.4
71.01387	4.4
71.05031	0.5
73.02954	0.9
80.02689	0.6
81.03462	1.1
83.01396	0.8
83.05021	5.7
83.60674	0.4
84.02164	0.8
85.02951	0.6
87.00887	0.7
89.02462	3.1
95.05020	1.1
97.02946	0.4
98.20657	1.0
101.02454	3.9
109.06637	0.7
113.02445	1.7
113.61194	0.4
119.03510	0.9
125.06043	0.5
125.09753	0.8
128.41286	0.4
135.08142	0.6
145.05034	0.7
149.09695	0.5
161.04527	1.4
163.11279	3.8
165.12856	2.5
167.10802	2.9
171.10262	2.6
177.12782	0.6
179.05711	0.7
179.10747	1.3
179.14417	3.2
181.12329	0.9
191.10742	0.5
193.19331	0.4
195.13902	9.7
205.10533	0.7
205.12344	8.9
206.12804	0.4
207.10313	0.6
209.11821	100.0
210.10393	0.4
210.12204	5.6
223.13387	96.6
224.13736	5.8
225.11259	0.5
227.12881	15.2
228.13158	0.6
235.08208	3.8
253.09282	10.3
261.14972	2.6
262.83173	0.4
326.96738	0.4
441.21201	0.6
445.20932	1.5
459.22311	9.3
460.22504	0.8
633.32568	1.1
651.33588	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14272	1.9
69.43156	15.0
71.01373	5.2
75.22062	1.9
75.48290	1.9
79.24424	2.1
81.11211	2.3
98.20677	4.2
107.01417	3.4
123.00865	6.7
125.01546	2.5
125.02447	39.2
127.06825	2.3
134.10352	2.0
139.00322	3.3
151.00340	6.2
154.52371	2.0
168.00662	4.0
169.01431	58.3
193.01521	3.9
211.02524	3.8
224.68994	2.2
301.00037	2.5
313.05676	24.0
465.06726	100.0
466.07190	10.3
635.08478	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	671.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
67.18882	0.7
69.52890	1.8
69.53318	2.9
78.69511	0.7
81.91995	0.7
98.19871	0.8
111.00861	1.2
124.01666	1.5
136.98784	1.9
139.00371	1.6
140.01169	3.6
168.00662	5.4
169.01018	0.7
181.93832	0.7
183.02972	100.0
184.03340	3.8
335.04077	12.3
336.04413	1.6
616.10333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.2
59.01380	26.9
61.98831	26.6
69.03458	2.9
71.01376	18.9
73.02945	3.0
78.95897	5.8
81.03442	3.9
83.05029	10.8
85.02943	4.7
87.00867	4.2
89.02438	7.8
95.01347	3.8
95.05029	5.2
97.02927	11.2
97.06622	4.5
99.00874	2.9
101.02431	11.2
101.96907	1.7
108.02158	2.0
109.06585	23.7
110.03727	5.4
111.04520	16.1
113.02398	8.3
119.03497	1.9
121.06515	2.0
122.14876	1.9
123.04553	3.6
123.08144	3.2
125.02446	3.8
125.06043	3.0
125.09735	12.0
131.20879	1.7
133.06520	1.8
135.08113	6.2
151.11301	3.3
152.99622	2.8
153.09224	3.5
157.08734	4.9
161.02441	4.5
161.04518	4.6
161.09695	11.5
163.11296	20.6
169.01489	2.9
171.10242	10.1
175.11208	2.3
177.09178	2.9
179.10817	12.6
181.12354	4.9
185.11789	6.8
187.09738	4.9
191.10776	5.5
197.11839	3.5
201.11205	4.0
205.08678	23.4
207.10260	65.7
208.10544	3.5
209.11824	92.1
210.12106	3.5
211.13499	2.8
217.12102	1.8
219.10405	2.4
223.09747	44.3
223.13127	8.9
224.10017	4.4
225.11305	44.9
226.11795	3.2
227.12885	12.5
229.28714	2.0
233.11789	3.2
235.08162	6.8
235.13374	4.9
243.12280	2.0
245.11732	3.2
247.09770	2.4
251.12796	2.4
253.09215	14.0
263.12952	4.2
281.14084	2.6
308.03415	1.8
343.18582	1.9
369.20547	2.6
371.22055	3.4
387.21979	2.6
389.23318	4.6
397.20056	4.2
405.22552	1.9
415.21268	8.9
433.22388	5.6
441.17725	4.4
443.18896	3.0
459.19022	9.5
461.20175	7.9
607.28009	3.9
625.28986	7.8
633.29211	11.0
651.30200	52.5
652.30817	11.5
669.31323	100.0
670.31793	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	669.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43302	2.1
51.84233	2.1
55.01882	3.3
57.03442	3.6
58.00605	4.0
59.01382	68.6
61.98838	10.7
62.30915	1.9
69.03454	2.8
71.01387	100.0
71.52504	2.1
72.99313	6.4
73.02941	12.9
83.01394	7.3
85.02949	29.8
85.68271	2.2
87.00878	10.5
89.02455	42.5
95.01394	11.8
96.96010	3.9
97.02924	3.5
99.00892	6.8
101.02452	45.4
107.01394	5.3
108.02177	8.1
109.02956	4.6
111.00881	5.8
113.02457	39.3
117.03497	2.7
119.03526	19.6
119.04940	2.2
123.00917	15.9
124.01689	3.2
125.02456	49.2
126.02778	2.5
131.03502	28.8
137.02446	2.7
139.00334	5.0
140.01108	4.0
143.03534	11.0
145.02939	8.2
146.03302	2.8
149.04526	8.9
151.00383	6.1
152.01169	4.6
153.01930	3.0
159.02928	2.6
161.04552	15.2
163.04044	2.6
168.00630	9.7
169.01443	60.9
170.01729	3.9
179.05615	24.3
191.05609	7.5
209.08115	2.6
209.11734	2.6
218.60641	2.3
221.06635	23.4
233.06680	8.6
241.03468	3.0
261.03738	2.1
271.04507	3.2
286.32816	2.4
293.08728	11.1
300.99936	7.0
311.09802	5.1
315.18015	3.9
331.06766	2.3
353.10925	41.4
354.11087	2.2
406.06439	2.3
441.06897	2.3
447.22391	11.1
468.54764	14.3
469.05276	17.0
469.55292	4.6
470.05704	2.8
517.08020	24.4
517.15778	4.0
517.58350	11.3
561.14294	2.9
609.17664	3.8
609.27551	71.6
610.27844	7.9
625.25568	5.4
638.01929	2.5
652.29901	2.4
669.31549	57.0
670.32178	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	5.0
59.01381	1.2
60.30121	0.7
70.02966	1.1
71.01375	2.9
71.51359	1.2
72.00909	1.7
85.02940	2.0
91.05529	1.8
95.01394	0.8
96.96008	1.0
99.00914	1.1
101.02422	1.9
102.99599	0.7
107.01378	2.3
111.00872	1.5
113.02367	0.8
123.00887	8.5
125.02465	11.3
127.00378	0.9
139.00366	3.0
140.01199	2.0
141.01898	1.0
147.04532	10.0
148.04639	0.7
151.00357	7.4
164.07166	25.8
165.07509	1.1
168.00632	2.5
169.01442	15.5
170.01660	0.8
191.05583	2.0
206.08218	39.2
207.08543	2.6
211.02528	0.9
234.12758	0.9
271.04587	1.0
275.62372	0.8
300.99915	1.1
313.05679	1.5
364.08624	0.8
417.14026	100.0
418.14301	9.2
455.54608	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57801	0.7
55.61547	0.8
57.03432	0.7
59.01389	4.7
66.50799	0.8
68.31715	0.7
69.03459	1.1
70.30634	0.7
71.01395	4.7
71.52341	1.1
73.02956	1.1
81.03451	1.2
83.01394	1.0
83.05016	1.0
85.02948	2.6
89.02434	1.6
93.03476	1.2
95.01374	3.7
96.96007	3.2
97.02963	1.3
101.02436	2.4
107.01367	1.8
108.02180	48.1
109.02972	20.8
111.00862	1.2
111.04488	1.5
113.02430	2.2
119.05130	0.8
121.02916	2.4
122.03703	3.2
123.00875	3.5
123.04481	1.4
125.02436	7.9
126.02752	0.8
133.02887	1.2
135.04543	13.6
136.01692	1.0
136.98872	1.0
137.02391	1.0
139.00360	1.0
140.01147	1.4
149.02415	1.8
149.06064	1.0
151.00375	1.9
151.04007	1.5
152.01163	62.9
153.01945	23.5
154.02179	0.9
163.03960	2.1
163.07660	4.2
165.09209	11.7
168.00606	1.5
169.01442	12.6
170.01743	1.0
173.06084	0.9
175.69452	0.7
177.01889	1.3
183.02943	2.7
189.05554	3.3
191.07147	68.8
192.07463	3.1
195.02896	0.8
209.08188	16.4
210.08470	0.8
233.08134	2.6
251.09132	1.1
275.09293	0.9
297.09644	0.8
300.99869	7.5
315.07224	4.6
343.06598	1.0
353.12292	2.1
403.08618	2.4
445.09869	5.7
463.10623	1.4
485.04059	1.0
489.14133	4.7
507.15039	30.2
508.15448	4.0
521.16742	0.8
560.49048	0.9
625.24701	1.4
669.20361	100.0
670.20709	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	669.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
59.01380	34.0
61.98825	9.8
69.03450	3.1
69.31629	1.8
70.50658	1.5
71.01378	27.8
72.99319	3.6
73.02946	5.2
75.00888	1.8
78.95899	4.7
81.03472	1.8
83.01405	3.0
85.02952	6.9
87.00883	5.9
88.98783	2.5
89.02442	21.5
93.03460	1.6
95.01385	4.5
95.05029	1.5
96.96026	11.0
97.02965	5.1
99.00880	2.7
101.02444	16.8
107.01395	6.1
109.02973	3.0
111.00906	2.7
113.02450	12.5
119.03509	6.6
123.00872	12.3
123.04540	2.3
124.01649	3.1
125.02448	51.4
125.03868	2.0
136.98868	1.8
137.02373	3.6
138.28271	1.7
139.00372	5.4
140.01118	4.3
143.03575	3.1
149.02390	2.7
151.00371	4.3
153.01958	2.5
161.02477	2.3
161.04596	4.1
163.04004	3.1
164.01170	2.4
166.99847	3.2
167.14377	1.9
168.00641	6.3
168.45740	2.0
169.01434	53.3
170.01843	3.1
173.02541	1.8
179.05612	4.8
183.02954	3.0
183.13918	7.4
203.07106	3.8
211.02458	3.2
211.13393	100.0
212.13762	5.0
235.08154	7.9
271.04550	5.2
287.07703	1.8
287.90030	1.5
287.96939	1.6
300.99927	3.0
305.08914	2.1
348.90396	1.7
397.13486	62.3
398.13867	7.7
415.14597	28.2
416.14682	2.7
429.60159	1.9
441.07547	2.2
468.04736	1.8
468.54877	10.6
469.05020	13.0
469.55435	4.8
517.07849	23.2
517.58331	11.3
518.08179	2.8
544.85901	2.2
609.27521	11.7
625.25116	3.6
638.68610	1.9
651.30499	2.2
669.31439	39.8
670.31830	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	667.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.3
59.01381	3.2
61.98832	0.8
71.01382	2.1
73.02946	0.5
78.95910	0.4
85.02937	0.4
87.00888	0.4
89.02437	1.4
95.01444	0.5
101.02437	1.5
101.79070	0.3
104.86560	0.3
113.02453	1.1
118.77158	0.3
119.03514	0.3
119.81904	0.3
125.09740	0.5
127.11273	1.7
132.09528	0.3
145.04974	0.5
153.09229	0.5
161.04526	0.8
171.10262	90.2
172.10585	3.8
186.19577	0.3
186.58881	0.3
233.22812	0.3
235.08179	2.7
253.09273	6.6
259.20682	0.6
265.57233	0.4
275.20157	0.5
277.21704	100.0
278.22034	8.4
279.50595	0.3
326.98581	0.3
328.34027	0.3
407.19058	0.5
513.30206	0.4
543.29797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.3
59.01381	3.2
61.98832	0.8
71.01382	2.1
73.02946	0.5
78.95910	0.4
85.02937	0.4
87.00888	0.4
89.02437	1.4
95.01444	0.5
101.02437	1.5
101.79070	0.3
104.86560	0.3
113.02453	1.1
118.77158	0.3
119.03514	0.3
119.81904	0.3
125.09740	0.5
127.11273	1.7
132.09528	0.3
145.04974	0.5
153.09229	0.5
161.04526	0.8
171.10262	90.2
172.10585	3.8
186.19577	0.3
186.58881	0.3
233.22812	0.3
235.08179	2.7
253.09273	6.6
259.20682	0.6
265.57233	0.4
275.20157	0.5
277.21704	100.0
278.22034	8.4
279.50595	0.3
326.98581	0.3
328.34027	0.3
407.19058	0.5
513.30206	0.4
543.29797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.1
59.01383	16.5
59.46552	1.2
61.78094	1.5
61.98823	7.5
69.03432	4.7
71.01385	13.8
71.05013	1.7
72.99332	1.6
73.02951	3.5
80.02664	1.5
81.03442	3.6
83.01386	1.8
83.05025	6.1
84.78098	1.4
85.02959	3.2
87.00893	3.9
89.02433	6.2
95.01396	1.6
95.05039	1.6
97.02955	10.8
98.20697	2.5
99.00872	2.0
101.02447	11.0
109.06599	36.2
110.03732	2.4
111.44794	1.5
113.02463	6.2
119.03548	2.6
121.06580	2.6
123.04507	1.6
125.09721	3.6
133.06621	2.0
135.08160	4.8
136.05348	2.5
142.02721	3.5
145.04958	2.0
155.70177	1.4
161.04552	4.0
161.09772	4.1
163.11293	22.5
167.10765	5.4
171.10289	1.9
179.10773	3.2
179.14421	4.4
181.12328	6.7
185.11839	5.4
189.09331	2.0
195.13872	14.0
205.12396	12.8
207.10257	99.7
208.10623	6.1
210.18105	1.4
223.13394	100.0
224.13731	7.1
225.11313	53.6
226.11659	4.4
235.08228	7.9
253.09309	13.6
299.14856	1.6
351.23181	2.6
367.22885	1.8
377.21085	2.3
385.23849	4.3
387.21472	2.7
395.22211	15.7
396.22433	2.4
403.24869	5.7
413.23370	22.3
414.23502	3.1
431.24365	9.0
443.19086	5.9
459.22339	4.6
461.20251	20.6
462.20599	1.9
505.28125	2.1
614.00848	1.6
621.32544	3.0
631.31134	3.8
649.32288	33.2
650.33380	6.7
667.33374	54.0
668.33960	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	667.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03525	1.1
57.03431	1.7
59.01381	19.1
61.98819	7.0
69.03442	3.0
70.42142	1.2
71.01384	14.3
71.04994	1.4
71.50323	1.3
72.26115	1.2
73.02949	1.4
81.03460	4.9
82.86204	1.2
83.01379	2.0
83.05022	4.9
85.02958	4.5
86.01456	1.3
87.00874	4.9
89.02454	6.9
89.26985	1.2
93.03455	2.2
95.01333	1.3
95.05077	1.5
97.02930	8.9
97.06557	1.8
99.00875	2.8
101.02441	9.0
109.06594	34.8
110.03701	2.4
111.76503	1.2
113.02443	6.7
121.06589	2.3
123.00900	1.6
125.02439	1.6
125.09708	2.6
132.47090	1.1
135.08127	5.0
136.05302	2.0
142.02722	3.6
145.04994	2.3
145.10112	1.5
161.04547	3.6
161.09747	3.5
163.11287	22.3
163.12556	1.9
167.10809	3.1
171.10228	3.8
179.05641	1.8
179.10814	2.8
179.14404	3.2
181.12291	5.7
185.11879	6.5
189.09227	2.5
195.13901	10.8
205.12340	9.0
207.10251	100.0
208.10646	6.3
209.11838	7.2
221.11888	1.6
223.13382	72.3
224.13777	3.9
225.11330	51.2
226.11639	4.6
235.08226	4.5
253.09251	12.2
259.13364	2.3
261.14984	1.4
263.12695	1.6
269.22827	1.2
277.14685	2.2
287.16656	1.9
290.76160	1.3
299.14899	1.7
351.23264	3.3
367.22827	1.6
369.20377	2.2
385.23889	3.5
387.21329	1.6
395.22321	13.1
396.22797	2.2
403.24908	5.0
413.23352	19.9
414.23694	3.4
421.19302	1.2
431.24377	10.1
443.19318	6.6
459.22281	3.7
461.20212	18.1
462.20444	1.4
473.26242	1.3
487.27533	1.3
621.32672	2.5
623.30499	1.7
631.31342	3.8
649.32202	36.1
650.32813	8.2
667.33374	57.9
668.33630	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	666.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	14.3
61.98824	1.9
62.69780	1.4
69.34711	2.7
69.35114	9.3
70.02982	5.0
71.01383	1.8
72.00916	4.5
72.26346	1.7
91.05538	3.5
91.41462	1.1
98.19943	2.7
102.84103	1.4
123.00856	1.7
125.02456	3.7
128.96480	1.1
147.04521	26.2
151.00339	1.7
164.07169	64.3
165.07495	3.1
169.01393	6.2
192.49196	1.2
206.08228	100.0
207.08566	5.5
214.73619	1.3
236.96883	1.2
415.12433	18.8
416.12769	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	665.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
63.31031	0.4
68.79078	0.4
78.95901	14.7
80.02684	1.9
81.03465	1.8
83.05025	7.5
83.70173	0.4
84.02175	1.5
95.05027	0.9
98.19823	0.6
110.98534	12.9
111.08160	0.5
118.33594	0.4
125.06060	0.5
135.08156	1.0
152.99590	0.7
163.11304	6.1
165.12839	3.1
167.01131	6.5
169.12361	1.7
171.10204	0.5
177.56850	0.4
181.12315	0.9
191.10783	1.5
195.51540	0.5
199.13399	0.9
201.11006	0.5
209.11813	100.0
210.12149	6.6
226.12019	0.4
227.12871	32.6
228.13210	2.0
231.00288	0.4
255.23270	66.4
256.23633	5.3
259.15466	1.3
405.24017	1.3
405.45050	0.4
409.16330	1.3
423.25195	6.4
424.25281	0.7
427.17630	0.7
633.37665	10.9
634.38416	1.7
665.40302	39.5
666.40527	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	665.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
77.78609	0.9
78.95901	5.5
79.95760	1.2
80.96511	1.2
83.05006	1.7
92.70284	0.8
108.02216	0.8
110.98510	3.1
113.88340	0.9
121.02921	0.9
122.03738	26.4
122.97568	3.4
124.01658	1.8
135.04507	4.3
136.01683	4.4
136.74847	0.8
149.06119	1.1
163.11261	2.3
165.12747	0.9
167.01158	1.3
199.13380	1.0
205.12131	1.0
209.11818	26.3
210.12260	1.9
227.12880	10.1
228.13414	1.0
255.23282	20.2
256.23599	1.3
259.15417	1.1
319.26404	91.8
320.26721	8.7
328.57678	1.0
345.27957	100.0
346.28345	9.8
423.24945	1.2
593.26282	1.0
633.37805	1.9
644.40790	0.9
665.40717	11.7
666.40442	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	665.339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33561	0.6
56.56349	0.7
56.91927	0.6
56.97629	0.7
57.03439	3.0
59.01379	8.1
61.98829	13.0
69.03466	1.0
71.01382	6.6
71.52369	1.4
72.99299	0.9
73.02930	1.0
80.02696	0.9
81.03451	0.9
83.01389	0.9
83.05020	2.9
85.02951	2.2
87.00890	1.2
89.02451	4.8
95.01371	0.7
95.05005	1.2
96.96007	1.8
97.06586	11.6
101.02458	5.3
110.63897	0.9
113.02426	2.7
119.03536	0.8
123.00875	1.1
123.08171	5.9
125.02447	5.0
125.09722	84.2
126.10056	3.4
131.03487	0.7
139.00389	0.7
140.00989	0.9
143.10773	1.6
145.03000	0.9
151.00345	1.0
153.96284	0.7
161.04561	2.7
163.11240	2.1
165.12874	1.2
168.00597	0.9
169.01401	4.9
169.08690	2.4
171.10248	1.0
179.05569	1.4
181.12360	0.9
187.09746	56.3
188.10080	2.4
201.11363	1.9
209.11815	41.2
210.12125	2.2
227.12823	3.1
235.08142	1.4
253.09254	2.9
295.39331	0.8
362.01169	0.9
405.17410	3.6
423.18756	10.3
424.19095	1.3
503.04947	0.7
564.34406	0.7
602.36346	0.9
615.30164	7.4
616.30005	1.1
633.31268	100.0
634.31561	18.1
662.53290	0.9
665.34674	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	665.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
71.01396	0.7
71.05151	0.5
74.21764	0.3
82.66285	0.2
83.01396	0.2
89.02449	0.8
101.02485	0.5
107.01413	0.7
117.42934	0.3
123.00887	0.7
125.02473	3.6
137.02480	0.4
139.00307	0.4
145.02962	1.0
151.00406	0.3
154.73232	0.3
157.02957	0.6
163.04016	0.4
169.01471	3.3
170.01759	0.3
173.02420	1.1
175.04048	0.4
178.58484	0.3
185.02483	2.2
189.01920	0.3
191.03485	0.3
193.01425	0.3
201.01877	1.8
203.03539	1.0
210.90459	0.3
211.02446	0.6
213.01920	0.4
217.01372	0.5
226.99841	0.4
229.01413	4.4
231.02998	0.9
245.00935	1.4
249.04010	1.2
251.94432	0.3
257.00916	2.7
258.01691	0.5
271.04568	0.4
273.00284	0.4
274.01132	0.3
275.01971	5.5
276.02304	0.5
283.99603	2.7
296.56003	0.3
299.99048	2.0
300.99902	100.0
302.00220	7.1
323.13388	2.4
331.06680	1.7
380.15515	0.3
434.57568	0.3
527.14362	0.3
535.00824	0.4
633.07306	6.2
634.07404	0.6
665.09808	2.8
665.20270	0.4
666.10583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53123	0.5
53.63649	0.5
58.00585	2.1
59.01380	34.9
71.01379	18.6
71.50369	0.7
72.99342	1.2
81.13229	0.5
83.01381	1.1
85.02932	3.9
87.00872	1.4
89.02445	22.9
89.16263	0.5
95.01394	1.5
101.02442	13.4
113.02448	9.6
119.03507	10.6
131.03531	1.1
143.03484	0.9
149.89372	0.6
161.04498	0.8
169.01454	0.9
179.05620	2.2
200.95474	0.5
300.99866	4.7
323.13449	100.0
324.13782	6.7
331.06689	0.7
458.83429	0.7
531.11206	0.6
559.24109	0.6
584.42108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.8
61.29110	2.5
61.98842	2.9
69.26001	12.3
69.26433	13.6
70.41726	2.9
70.53738	2.7
71.01392	5.2
81.03477	3.7
81.99976	3.2
95.38589	2.7
107.01395	8.5
123.00869	8.0
124.01653	4.0
125.02455	76.8
126.02703	3.8
137.02393	3.4
139.00339	4.0
151.00348	8.2
152.01158	3.5
153.01923	11.8
165.01935	2.4
168.00581	6.8
169.01437	61.2
170.01794	4.6
173.06068	3.3
176.01123	3.5
195.06638	3.1
211.02493	6.5
215.07092	4.2
243.06674	5.3
259.06061	33.0
269.04565	21.7
271.04651	6.8
287.05585	9.4
313.02216	4.1
313.05594	30.2
314.06512	2.6
332.98929	3.7
405.70493	3.2
439.08698	6.6
466.07471	5.4
472.78647	3.4
573.12262	14.3
574.12561	4.6
583.10822	37.8
584.11176	8.2
601.12036	100.0
601.21973	5.2
602.12299	9.5
664.19165	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	663.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50854	1.1
56.47958	1.0
59.01381	14.3
61.58731	1.0
61.98832	9.0
67.01858	1.7
69.03976	1.0
70.12347	1.0
70.66566	1.7
70.66895	1.9
71.01382	12.2
72.99303	1.3
73.02949	2.2
83.01363	1.8
83.05022	1.2
85.02940	3.8
88.98796	1.6
89.02439	7.7
90.00605	1.0
93.03435	1.8
95.01389	2.1
96.96009	7.9
101.02436	7.4
106.57176	1.2
107.01384	11.0
111.00861	2.9
113.02434	7.2
116.92931	1.1
117.03449	4.2
119.03565	2.6
119.05026	40.5
121.02962	1.5
123.00876	12.6
124.01633	1.4
125.02450	65.3
125.09676	1.5
126.02740	2.5
134.51292	1.2
137.02434	2.4
139.00351	5.3
140.01132	3.0
141.01781	1.9
145.01912	1.4
145.02957	18.1
149.02444	1.4
151.00356	9.8
153.01967	1.7
161.02481	2.0
161.04520	1.8
163.04008	25.7
166.99820	2.6
168.00664	5.2
169.01427	100.0
170.01727	3.1
171.10220	3.7
199.09731	2.5
201.11284	8.6
205.44855	1.1
207.10310	1.2
209.11830	2.8
211.02432	4.5
223.02524	1.5
234.89702	1.2
241.03430	1.4
253.09315	2.0
259.06082	2.9
271.04614	1.4
283.10623	1.5
285.03931	1.4
287.05713	2.1
300.02716	1.1
313.05643	48.0
314.06027	3.0
358.46603	1.1
477.10397	62.6
478.10617	7.0
511.18134	4.6
559.27411	1.5
577.29059	1.5
601.28674	1.8
663.22888	96.9
664.23242	18.4
664.34583	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.0
61.98833	0.4
66.34949	0.2
67.01894	0.5
69.03456	0.4
69.48598	0.5
69.49010	1.1
71.01389	1.0
71.71812	0.2
73.02942	0.4
81.03473	0.6
83.05038	0.5
85.02956	11.0
87.00872	2.4
93.03465	5.5
98.19991	0.3
99.04540	0.5
109.02978	1.1
111.04540	1.3
113.02467	0.3
113.49477	0.2
119.05029	1.9
125.02451	0.9
127.04037	2.5
137.02444	0.8
145.02902	0.3
153.61337	0.2
155.03574	0.3
163.03984	0.8
169.01462	0.8
171.02986	1.0
173.04526	1.8
173.22310	0.2
177.69695	0.2
191.05624	100.0
192.05997	3.2
209.08138	0.2
210.06877	4.1
210.08800	0.4
211.07642	5.9
212.07950	0.3
289.07098	0.2
300.99957	0.3
301.61523	0.2
373.05566	0.2
373.12848	4.8
374.13394	0.6
453.04242	0.2
471.12918	0.8
489.13776	0.6
501.14304	0.3
663.19366	2.9
664.20111	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50854	1.1
56.47958	1.0
59.01381	14.3
61.58731	1.0
61.98832	9.0
67.01858	1.7
69.03976	1.0
70.12347	1.0
70.66566	1.7
70.66895	1.9
71.01382	12.2
72.99303	1.3
73.02949	2.2
83.01363	1.8
83.05022	1.2
85.02940	3.8
88.98796	1.6
89.02439	7.7
90.00605	1.0
93.03435	1.8
95.01389	2.1
96.96009	7.9
101.02436	7.4
106.57176	1.2
107.01384	11.0
111.00861	2.9
113.02434	7.2
116.92931	1.1
117.03449	4.2
119.03565	2.6
119.05026	40.5
121.02962	1.5
123.00876	12.6
124.01633	1.4
125.02450	65.3
125.09676	1.5
126.02740	2.5
134.51292	1.2
137.02434	2.4
139.00351	5.3
140.01132	3.0
141.01781	1.9
145.01912	1.4
145.02957	18.1
149.02444	1.4
151.00356	9.8
153.01967	1.7
161.02481	2.0
161.04520	1.8
163.04008	25.7
166.99820	2.6
168.00664	5.2
169.01427	100.0
170.01727	3.1
171.10220	3.7
199.09731	2.5
201.11284	8.6
205.44855	1.1
207.10310	1.2
209.11830	2.8
211.02432	4.5
223.02524	1.5
234.89702	1.2
241.03430	1.4
253.09315	2.0
259.06082	2.9
271.04614	1.4
283.10623	1.5
285.03931	1.4
287.05713	2.1
300.02716	1.1
313.05643	48.0
314.06027	3.0
358.46603	1.1
477.10397	62.6
478.10617	7.0
511.18134	4.6
559.27411	1.5
577.29059	1.5
601.28674	1.8
663.22888	96.9
664.23242	18.4
664.34583	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	662.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66187	0.4
59.01374	1.4
63.02383	1.4
65.00319	0.7
69.34424	1.2
69.34850	2.1
71.01381	0.9
83.01392	0.9
89.02443	1.0
93.03481	0.8
94.89060	0.4
95.01340	0.5
98.20723	0.5
101.02440	0.6
107.01393	3.3
109.96842	0.4
111.00903	0.5
123.00900	1.3
125.02460	2.7
135.00899	0.8
137.02383	0.5
143.05032	0.8
145.02983	0.6
151.00352	6.7
157.06622	0.8
159.04515	1.1
163.00377	1.6
164.01135	0.6
165.01930	0.5
167.05078	0.6
168.00558	0.5
169.01405	3.7
169.06578	0.5
185.06094	1.8
187.03981	2.4
189.05542	0.7
197.06073	0.6
199.03990	1.2
211.03976	0.7
213.05568	1.8
215.03458	0.5
227.03458	1.5
229.05060	7.5
230.05394	0.7
239.03470	0.8
241.05081	1.1
255.02931	0.5
257.04568	5.4
285.04050	100.0
286.04419	8.0
303.56284	0.4
313.05652	13.8
314.05972	0.9
339.77087	0.5
497.26895	0.4
577.29205	0.5
599.10376	5.9
600.10669	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	662.1
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.0
61.98847	1.5
71.01382	5.2
71.28838	1.4
71.33691	0.9
73.02987	1.3
81.03466	1.0
83.01385	1.3
85.02972	1.5
95.01355	1.7
101.02435	2.6
107.01375	7.9
111.00875	1.9
113.02483	2.1
113.31172	0.9
123.00925	7.3
124.01656	1.1
125.02450	45.3
139.00388	2.9
140.01189	1.0
141.01988	1.0
145.02846	1.1
151.00371	9.2
152.22198	1.2
152.45332	1.0
165.01906	1.0
168.00627	2.8
169.01425	65.7
170.01776	2.5
174.01689	2.6
211.02357	1.4
215.17038	1.1
227.03589	5.3
229.05022	1.2
241.03539	3.7
253.03596	1.0
255.03014	12.2
256.03497	2.2
284.03247	21.7
285.03986	21.0
313.05676	16.6
389.41354	0.9
432.21545	1.0
447.09726	1.3
463.84769	0.9
467.96652	1.0
577.78845	1.0
599.10406	100.0
600.10706	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	662.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16806	0.8
58.00613	0.6
59.01374	4.2
61.98832	14.7
67.01891	1.2
69.25465	7.1
70.00636	0.7
71.01392	4.7
72.99287	1.0
73.02950	0.7
83.97241	0.7
85.02953	1.3
89.02436	1.4
95.01377	1.7
101.02426	2.4
107.01398	7.3
111.00871	2.0
113.02450	1.6
119.03519	0.9
123.00890	13.8
125.02444	23.4
125.09671	0.8
126.02781	0.9
127.00381	1.0
128.96953	0.8
131.03458	1.0
136.98816	1.5
139.00356	3.9
140.01135	2.9
141.01865	1.4
149.02402	0.8
151.00349	11.2
151.01443	1.2
168.00731	4.0
169.01419	34.6
171.10248	2.8
179.03468	0.7
195.79114	0.7
201.11375	3.6
209.11792	1.4
211.02507	1.1
223.02472	4.4
225.11385	1.5
241.03577	1.9
253.09213	1.1
283.04507	5.8
301.05798	1.1
343.06711	1.1
430.78857	0.7
475.27286	0.7
599.23431	100.0
600.23785	15.1
627.30151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95739	0.9
55.22158	1.0
59.01375	1.3
71.01384	3.6
71.52163	2.1
81.89104	1.0
82.00832	1.0
95.18825	1.1
107.01393	8.6
123.00861	7.4
123.04471	1.4
124.01603	1.2
125.02452	42.1
126.02828	2.4
137.95639	1.2
139.00290	1.3
140.01161	1.2
151.00359	6.2
168.00693	2.1
169.01422	64.0
183.02856	1.5
211.02359	1.2
227.03470	9.1
229.05032	1.6
239.03683	1.0
241.03500	3.3
255.02992	20.2
256.03580	2.3
257.04669	1.5
269.41748	1.0
284.03247	25.5
285.03995	22.1
300.95480	1.2
313.05649	14.8
447.09201	2.2
460.56784	1.1
599.10437	100.0
600.10693	16.5
662.22723	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	661.2138
Annotation	BK 223B
Peak:m/z	Relative Intensity
50.05166	1.4
59.01382	8.7
60.20188	1.3
61.98822	9.7
69.03456	2.5
71.01372	5.9
71.52243	2.6
72.99284	1.4
73.02940	2.2
79.01887	1.8
81.03439	2.4
83.01364	2.7
83.05007	4.5
83.58078	1.6
85.02943	4.2
89.02445	3.0
95.01364	4.0
97.02913	1.7
97.06561	2.0
101.02411	3.2
101.96230	1.4
107.01381	4.1
108.02173	87.8
109.02976	31.9
111.00864	3.7
111.04505	1.6
113.02451	3.8
119.03475	2.2
121.02981	1.7
123.00881	8.9
123.04511	7.3
123.08082	2.2
125.02443	11.5
125.09693	3.6
127.04002	4.7
127.11259	1.8
131.03494	1.6
139.00334	5.8
140.01112	5.8
141.01854	2.1
144.87659	1.5
145.02913	1.7
151.00330	5.0
151.04022	2.4
152.01146	76.1
153.01955	23.6
153.05450	3.4
153.12704	1.8
163.03951	1.7
163.11256	1.9
165.01854	2.4
165.05556	1.8
168.00594	6.0
169.01448	14.3
169.12358	3.6
171.10286	9.6
182.02197	1.4
185.11879	2.1
197.11821	22.0
198.12065	2.1
199.09712	3.2
199.13533	1.8
201.11311	12.9
209.11818	22.4
210.12082	3.7
211.13503	7.9
213.11290	1.8
215.12650	2.0
223.09761	2.8
225.11172	1.6
227.12790	5.0
230.41505	1.7
251.88689	1.5
253.09242	6.3
345.13437	9.7
363.14575	12.0
369.01068	1.5
393.20938	1.4
507.18787	3.3
509.20270	50.4
510.20691	7.0
571.94812	1.8
591.03229	1.9
617.22180	5.8
617.38434	3.6
643.30963	1.8
661.21167	100.0
661.32428	4.6
662.21545	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	661.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34286	1.0
58.98726	1.0
59.01371	4.4
61.98818	1.7
66.53380	1.2
71.01383	5.4
71.50747	1.7
72.99299	1.1
85.02956	2.3
87.00835	1.3
89.02436	2.5
96.96048	1.2
97.02987	1.2
99.00843	1.2
101.02460	2.4
107.01411	2.5
108.02167	14.7
109.02948	4.7
111.00871	1.6
112.98840	1.9
113.02429	1.5
123.00861	2.6
124.01707	1.3
125.02447	46.6
126.02824	1.3
129.01903	2.3
130.69865	1.1
132.60826	1.1
136.03976	1.7
136.07639	1.6
139.00352	1.8
145.01433	2.8
151.00345	2.8
152.01163	12.4
153.01929	5.6
154.99849	3.9
163.04080	1.3
163.06429	5.1
164.07112	3.2
168.00543	1.5
169.01425	100.0
170.01764	2.9
197.91711	1.3
205.03503	1.5
211.02432	3.9
247.74306	1.2
251.21231	1.0
256.55325	1.0
257.12726	2.3
285.06223	14.8
299.50162	1.0
325.01944	3.7
326.12387	2.8
357.04611	31.7
358.05060	2.0
359.09787	1.3
375.04868	5.8
375.09692	13.2
437.19058	1.4
463.17047	2.2
514.23560	1.2
643.23279	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	659.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.2
57.09361	0.6
59.01159	0.5
59.01384	6.2
61.98823	0.8
63.09118	0.6
69.96233	2.6
71.01392	5.3
73.02935	1.6
80.02677	0.9
81.03432	1.2
83.01418	0.7
83.05028	4.9
84.02170	0.7
85.02952	1.3
87.00880	1.4
89.02439	3.3
95.05019	1.3
97.06184	0.5
97.06606	5.1
99.00863	0.9
101.02438	5.7
106.59550	0.6
108.45663	0.6
113.02452	2.4
119.03460	0.8
125.09695	0.7
128.19882	0.7
135.08163	0.9
151.10112	1.3
151.11285	20.6
156.54173	0.6
161.04523	1.0
163.11288	4.1
165.12785	2.3
169.12343	74.8
170.12634	3.4
185.70074	0.6
191.10791	0.8
195.10231	4.6
197.12013	0.7
209.11824	68.6
210.12169	5.5
211.13341	2.1
212.13857	0.7
213.11336	13.2
214.11653	0.7
227.12886	8.9
235.08105	2.8
235.60536	0.6
253.09326	3.3
276.38889	0.6
282.32599	0.6
379.24756	0.7
431.19122	3.0
449.20126	8.5
497.27682	1.1
641.31909	3.2
659.32849	100.0
660.33148	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	659.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01385	8.2
61.98835	10.0
67.01907	1.1
71.01388	7.5
72.99326	1.1
73.02959	2.3
75.00903	0.8
79.01920	1.1
81.03481	1.3
83.01418	2.2
83.05036	4.3
85.02962	3.4
87.00909	1.6
88.98804	1.4
89.02468	3.0
95.01398	1.9
95.05054	1.4
97.02957	1.7
99.00890	1.0
101.02460	5.8
107.01388	5.0
109.06626	0.8
111.00903	2.4
113.02477	3.0
123.00899	13.8
123.19064	0.8
124.01682	1.2
125.02450	18.5
125.03323	1.2
125.09739	2.1
126.02879	0.8
127.00352	1.0
127.04010	4.7
127.11329	1.6
136.98822	1.7
137.02402	0.9
139.00368	5.1
139.07669	1.3
139.11296	0.8
140.01228	3.2
140.02254	0.7
141.01985	1.2
149.09795	0.8
151.00377	10.0
151.11319	2.9
152.00832	0.7
153.01968	1.1
155.10815	2.2
161.04602	1.2
163.11331	1.9
165.05592	1.0
165.09216	1.2
165.12740	1.1
167.10822	2.4
168.00661	2.4
169.01433	20.0
169.12352	8.9
170.01785	1.1
171.10265	10.8
172.10577	0.9
179.10883	0.8
185.11821	17.1
186.12204	0.9
195.10309	4.3
197.11835	12.4
198.11995	0.7
199.13431	1.4
201.11382	2.9
207.10339	2.4
209.11826	42.2
210.12158	3.8
211.13425	2.9
212.13776	1.9
213.11325	13.2
221.11931	1.3
225.11333	4.8
227.12874	7.8
228.13313	1.4
235.08316	1.6
251.13071	1.1
253.09242	5.3
285.04120	1.3
313.05798	1.7
331.72354	0.7
387.21863	0.9
405.22766	1.1
431.19504	1.6
449.20508	3.1
461.20493	0.9
463.21512	0.7
517.79938	0.8
531.32147	1.1
555.39679	0.7
615.37830	3.2
623.31055	2.0
641.32147	2.9
659.36432	100.0
660.36816	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	659.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50509	0.8
59.01112	1.1
59.01385	17.5
62.05024	0.8
67.01878	2.0
71.01389	14.7
72.99304	1.8
73.02943	2.8
76.31137	0.7
79.01879	2.1
83.01380	1.9
85.02956	3.9
89.02454	11.3
95.01389	3.4
97.02955	2.0
99.00862	1.4
101.02457	10.0
107.01391	12.3
111.00861	2.0
113.02440	6.6
116.92847	5.0
117.92879	2.3
118.92658	2.0
118.93402	0.9
118.99854	2.2
119.03516	6.1
119.96414	0.9
121.10240	1.1
123.00903	23.8
124.01677	1.3
125.02451	47.6
137.02492	1.1
139.00417	5.2
140.01137	1.6
141.01944	2.5
150.99350	1.2
151.00404	11.1
161.04547	1.9
167.10741	1.3
168.00606	2.5
169.01434	90.0
170.01744	3.1
179.05666	1.3
183.02928	1.7
193.01419	1.4
211.02507	8.2
253.03323	1.0
313.05634	2.0
327.14526	2.6
345.15512	9.6
372.37521	0.9
387.16675	3.3
481.17239	5.3
497.16605	8.6
659.21918	100.0
660.22186	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	659.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03447	0.9
59.01378	10.6
61.98839	3.9
71.01386	9.9
71.05005	1.0
72.99288	1.0
73.02947	2.2
80.02676	1.4
80.36290	0.9
81.03451	1.7
83.01360	1.4
83.05026	6.6
84.02179	1.7
85.02944	3.3
85.94942	0.8
87.00890	2.1
89.02469	5.3
95.05047	1.7
96.95979	0.9
97.06579	4.1
98.19875	2.0
99.00877	2.2
101.02451	7.3
102.52295	0.6
103.29321	0.7
109.06586	1.4
112.98525	0.8
113.02470	4.3
118.05249	0.7
119.03490	1.0
125.02438	1.4
125.09714	1.8
133.10219	0.9
145.05028	1.2
149.04549	0.9
151.11288	21.2
152.11716	1.1
161.04527	2.6
163.11295	4.5
165.12875	3.0
169.01361	1.9
169.12343	95.3
170.12651	5.2
171.10265	6.3
181.12285	2.0
185.11853	4.3
195.10229	3.5
197.11833	8.1
199.13390	4.4
207.10275	3.0
209.11832	86.2
210.12157	9.5
211.13585	9.3
212.13795	4.8
213.11336	20.8
213.13898	2.6
225.11328	4.3
225.14902	1.3
227.12889	17.5
228.13213	2.6
235.08195	4.1
243.12396	2.3
253.09239	8.1
254.09695	1.3
379.25101	1.3
419.80603	1.0
431.19168	4.4
433.20651	0.9
449.20273	13.3
450.20236	1.0
479.21790	1.1
497.27313	1.4
580.38135	1.0
595.14581	0.9
641.31940	5.8
659.32843	100.0
660.33191	19.3
676.75385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
58.00600	0.3
59.01379	3.2
61.98821	0.9
69.03456	0.5
70.81282	0.8
71.01384	2.9
73.02950	0.6
80.02679	1.0
81.03452	1.1
83.01383	0.6
83.05027	4.4
84.02165	0.4
85.02943	1.0
87.00878	0.5
89.02451	2.2
95.01347	0.5
95.05015	0.7
97.02953	0.5
97.06614	0.5
101.02437	2.5
113.02420	1.7
119.03497	0.6
125.06105	0.4
131.31184	0.3
135.08131	0.5
161.04538	0.9
163.11305	3.6
165.12866	3.0
167.10710	0.4
167.14450	0.5
169.12370	0.4
171.10312	1.5
179.05632	0.5
181.12383	0.7
183.13907	6.2
184.14305	0.3
191.10809	0.9
193.12331	1.2
199.13422	0.9
209.11821	100.0
210.12164	5.3
211.13387	89.6
211.17519	0.5
212.13737	5.4
227.12880	14.9
228.13234	0.8
235.08189	2.8
249.14973	1.2
253.09262	9.4
403.24792	1.1
421.25900	0.6
445.20792	1.2
447.22427	3.2
548.08582	0.4
621.32935	1.1
639.33508	0.8
657.33740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17422	0.2
59.01379	0.3
61.98827	100.0
62.70145	0.2
63.79298	0.2
69.46828	1.2
78.95900	3.7
78.96325	0.3
79.86004	0.2
84.80934	0.2
96.96969	0.3
131.10905	0.2
152.99574	2.3
169.01401	0.2
169.12393	0.4
197.11885	0.5
207.10254	0.2
209.11852	1.5
210.12260	0.4
211.13397	1.2
212.13832	0.4
225.11404	0.4
227.12901	0.4
293.21259	0.5
294.21429	0.4
295.22839	0.4
363.12027	0.5
430.20804	0.3
447.21695	0.3
606.65277	0.2
640.31219	0.2
658.34290	1.0
659.34875	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	659.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	63.4
61.98828	4.8
90.97147	1.0
116.16994	1.0
117.05397	0.7
132.98203	1.4
137.42404	0.8
150.94827	0.9
157.03571	1.6
174.99240	25.5
192.95857	7.4
201.02530	19.5
202.02711	2.6
217.00288	100.0
218.00626	3.0
318.32254	0.9
318.73361	0.9
343.03708	2.6
358.96936	1.7
359.01459	32.7
360.01593	3.6
374.99194	57.5
375.99435	2.6
517.00482	9.0
519.44104	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	6.1
61.98829	3.6
63.00143	1.3
63.82688	1.7
66.15022	1.5
69.03452	1.5
69.47099	7.2
69.47524	4.6
71.01366	8.3
76.61806	1.8
82.84724	1.5
83.01370	2.2
85.02945	3.5
88.98808	2.9
90.36613	1.6
91.63375	1.6
93.03449	1.9
95.01398	5.2
96.95979	1.6
97.02930	2.8
101.02428	4.2
107.01421	11.3
108.02218	2.5
109.02949	2.7
111.00873	2.5
113.02418	4.2
116.92828	4.3
119.03423	1.8
121.02966	2.5
123.00893	13.8
124.01751	2.6
125.02448	84.9
125.53605	1.5
126.02804	1.8
132.02118	3.8
132.17090	1.6
134.03711	9.6
135.04454	2.0
136.98845	2.4
137.02449	7.7
139.00391	7.8
139.04013	4.8
140.01160	3.8
149.02444	3.3
151.00302	8.5
151.03926	1.6
153.01936	3.0
160.01671	11.2
161.02391	6.9
163.03981	2.0
165.01874	1.7
165.05565	2.4
166.06366	2.6
166.20491	1.7
168.00674	10.6
169.01419	100.0
170.01772	4.3
173.44640	1.7
174.03207	2.3
175.03969	9.0
179.03433	3.2
181.01367	1.5
183.02942	3.8
190.04416	1.6
191.03433	2.3
193.01442	2.4
193.05031	5.3
195.03024	2.0
202.02647	1.9
207.02922	1.6
211.02469	25.3
217.05009	2.7
271.04581	19.1
281.06506	4.6
295.04535	6.1
297.06339	1.6
300.99994	2.2
301.03387	2.9
313.05649	29.4
361.21686	1.6
388.36688	1.7
403.63046	1.9
465.06689	72.6
466.06940	7.8
489.10352	19.3
507.10931	10.1
659.12445	56.7
659.29535	6.7
660.13177	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	657.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.3
57.03442	0.3
58.93802	0.3
59.01379	3.5
64.75034	0.3
69.76968	0.8
69.77386	1.1
70.26505	0.3
71.01376	3.1
73.02946	0.9
80.02684	1.1
81.03458	1.2
83.01378	0.6
83.05025	4.3
84.02185	0.5
85.02950	0.7
87.00880	0.7
89.02449	1.8
89.44283	0.3
95.05007	0.8
96.64914	0.3
97.06613	0.3
98.20634	0.5
101.02444	2.8
109.06644	0.7
113.02468	1.8
115.87865	0.3
119.03477	0.4
125.06073	0.4
135.08214	0.3
161.04558	1.0
163.11307	3.3
165.12828	2.2
167.14375	0.7
171.10266	1.9
179.05666	0.4
181.12393	0.4
183.13911	6.7
191.10771	0.9
193.12277	2.0
207.10307	0.5
209.11835	84.2
210.12160	5.3
211.13397	100.0
212.13748	6.6
212.15521	0.2
225.11227	0.5
227.12903	13.0
228.13266	0.7
235.08202	2.6
249.14899	1.5
253.09285	9.9
253.11871	0.6
254.09747	0.7
292.49829	0.3
383.20886	0.3
385.23758	0.5
403.24808	0.8
421.25476	0.4
425.26355	0.3
429.21469	0.4
445.20792	0.8
447.22449	3.2
448.23499	0.3
460.82263	0.3
463.21564	0.4
621.32648	1.2
639.33630	0.6
657.34259	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
59.01381	2.8
69.03432	0.3
71.01375	2.7
73.02939	0.7
80.02667	0.9
81.03438	0.9
83.01369	0.4
83.05016	4.0
84.02193	0.4
85.02950	0.7
86.00101	0.3
87.00845	0.5
89.02429	2.0
95.01394	0.3
95.05000	0.8
97.02966	0.4
101.02438	2.3
109.06603	0.4
113.02438	1.5
119.03484	0.6
125.06129	0.3
125.09755	0.3
135.08142	0.3
137.72350	0.3
145.05052	0.4
147.11690	0.3
161.04562	1.1
163.11295	3.1
165.12854	1.7
167.10719	0.4
167.14377	0.8
169.05098	0.3
171.10252	1.2
179.05536	0.3
181.12363	1.0
183.13895	6.9
191.10754	0.8
193.12346	2.0
193.28937	0.3
199.13419	0.5
202.54163	0.3
209.11812	83.3
210.12149	4.7
211.13379	100.0
212.13719	5.6
227.12874	11.4
227.15152	0.5
228.13200	0.5
229.09001	0.3
235.08238	2.9
249.15111	1.3
253.09294	9.3
254.09676	0.4
305.07852	0.3
403.24780	0.7
445.20804	0.9
447.22278	3.4
621.32617	0.9
639.33911	0.4
657.35034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33075	1.5
69.33475	2.4
71.01382	1.6
73.02986	0.6
85.02950	1.3
87.82187	0.5
95.01398	0.8
98.20747	0.5
101.02470	1.0
108.02173	49.5
109.02972	15.4
113.02424	0.8
121.02952	0.8
123.00939	0.6
123.04537	0.8
151.03992	1.1
152.01152	47.2
153.01941	16.5
163.04047	1.7
165.01965	1.0
180.22490	0.6
238.62677	0.5
315.07208	100.0
316.07504	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	657.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58301	0.4
59.01368	0.4
63.15530	0.3
69.70760	1.2
69.71168	0.9
70.76055	0.4
71.01378	1.4
73.02903	0.6
85.02959	1.1
93.03471	0.5
95.01401	0.7
101.02431	0.8
108.02171	49.7
109.02976	16.1
113.02396	0.5
114.54605	0.5
116.47353	0.4
117.01956	0.5
121.02984	0.8
123.00851	0.7
123.04516	0.8
132.41870	0.4
135.00800	0.6
151.03996	1.2
152.01151	45.3
153.01939	16.4
154.02264	0.4
154.60571	0.4
163.03960	1.0
165.01926	1.3
191.05602	0.8
192.76120	0.4
207.05103	0.9
290.71716	0.5
315.07205	100.0
316.07507	7.4
550.63867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30867	0.2
59.01378	0.7
59.54957	0.2
60.99340	0.3
61.98840	0.2
65.00304	0.3
67.01881	0.5
68.99791	0.4
69.03467	0.4
70.01503	0.2
70.01853	0.3
71.01373	0.7
72.99308	0.4
73.02943	0.4
83.01385	0.5
88.98807	0.8
89.02422	0.3
93.03490	0.3
95.01387	1.1
97.02984	0.5
101.02423	0.5
101.25705	0.2
107.01376	0.6
109.02950	0.4
110.00082	0.6
111.00892	2.7
123.00867	4.5
124.01659	2.2
125.02445	8.5
126.02738	0.3
127.00375	1.3
131.03467	0.5
135.11806	0.2
136.98801	1.5
137.02415	0.8
139.00381	4.5
140.01155	5.1
141.01874	0.5
151.00374	7.2
151.03964	0.8
154.99898	0.5
166.99861	0.7
168.00638	6.6
169.01418	7.3
181.01489	2.0
186.93770	0.2
193.01424	0.3
195.03027	1.2
209.11932	0.3
211.13371	6.6
215.25861	0.2
236.01585	0.3
264.09952	0.3
284.02423	0.3
287.09073	0.3
289.06934	0.4
289.10858	0.3
290.11511	1.9
291.12289	0.2
299.99182	0.4
303.12555	0.3
304.63272	0.2
317.14050	0.4
319.15457	6.3
320.16046	0.4
345.13370	10.8
346.13858	0.8
363.14465	100.0
364.14807	10.3
383.69968	0.3
386.36295	0.3
405.15616	0.4
657.24133	2.9
657.33337	0.3
658.24030	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36271	1.0
55.14727	0.9
59.01377	5.6
60.99306	18.6
61.58420	0.9
61.98827	2.1
62.08169	0.9
67.01862	1.1
67.84618	0.8
69.03446	1.6
69.14457	2.4
69.14875	8.1
71.01378	7.1
71.76507	0.9
78.08601	1.0
83.01393	2.2
85.02950	2.7
88.98805	100.0
89.02407	2.3
93.03452	2.8
95.01411	2.7
96.96012	1.2
97.02947	2.4
101.02418	2.5
107.01405	8.6
107.05033	1.3
109.02979	1.1
111.00883	1.8
113.02485	2.1
121.03021	1.3
123.00884	15.3
123.04520	1.7
124.01676	2.0
125.02448	40.3
131.03535	1.4
134.03830	1.1
136.98790	1.7
137.02449	7.5
139.00362	5.8
140.01184	3.0
141.01926	1.7
149.02356	1.1
151.00368	13.4
151.03923	1.3
153.01941	1.7
159.04492	0.9
165.01955	1.6
166.99898	2.4
167.03558	1.4
168.00668	7.8
169.01428	70.3
170.01772	2.1
179.03346	1.1
191.03419	1.0
193.01451	4.9
211.02455	5.4
223.02487	4.4
227.03461	6.5
229.04947	1.1
241.03484	8.5
255.02985	12.5
256.03604	2.8
257.04443	1.6
283.04633	7.6
284.03244	18.0
285.03995	17.6
300.99957	1.1
301.05664	7.6
307.62048	1.0
341.05048	2.6
342.05920	1.5
343.06668	24.8
344.07089	1.3
373.07767	5.5
385.07706	3.6
403.08951	5.8
427.08856	3.2
428.32254	1.2
445.09863	85.1
446.10242	4.4
463.10989	1.3
495.22623	1.5
546.05939	1.0
567.11414	43.4
567.24286	6.1
568.11627	7.0
597.22034	1.6
656.34955	1.2
657.26385	14.6
657.36511	1.2
658.25977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42041	0.5
59.01387	0.6
67.24557	0.4
71.01389	1.3
71.49513	0.7
78.80392	0.4
85.02959	1.3
86.94920	0.5
93.03460	0.6
101.02428	0.5
108.02179	48.7
109.02977	17.1
113.02459	0.8
121.02913	0.5
123.04552	0.6
147.06238	0.5
151.03970	1.5
152.01160	45.9
153.01955	16.5
163.03986	0.9
165.01945	1.2
165.04024	0.5
169.01459	0.5
175.17189	0.5
178.68710	0.5
315.07227	100.0
316.07568	6.4
635.68427	0.5
640.76343	0.5
684.32037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20988	0.2
59.01385	0.7
61.98829	100.0
62.98510	0.2
71.01384	0.3
78.95911	1.7
98.19886	0.6
109.06634	0.5
152.12169	0.2
152.99596	0.8
159.72813	0.2
163.11362	0.3
183.13820	0.2
193.12430	0.2
207.10309	0.5
207.30647	0.2
208.08481	0.2
208.10580	0.4
209.11821	1.8
210.12158	0.3
211.13403	2.4
212.13737	0.6
225.11397	0.5
227.12903	0.3
293.21320	0.3
363.12100	0.4
533.42200	0.2
638.32288	0.5
656.33838	0.9
657.34625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36271	1.0
55.14727	0.9
59.01377	5.6
60.99306	18.6
61.58420	0.9
61.98827	2.1
62.08169	0.9
67.01862	1.1
67.84618	0.8
69.03446	1.6
69.14457	2.4
69.14875	8.1
71.01378	7.1
71.76507	0.9
78.08601	1.0
83.01393	2.2
85.02950	2.7
88.98805	100.0
89.02407	2.3
93.03452	2.8
95.01411	2.7
96.96012	1.2
97.02947	2.4
101.02418	2.5
107.01405	8.6
107.05033	1.3
109.02979	1.1
111.00883	1.8
113.02485	2.1
121.03021	1.3
123.00884	15.3
123.04520	1.7
124.01676	2.0
125.02448	40.3
131.03535	1.4
134.03830	1.1
136.98790	1.7
137.02449	7.5
139.00362	5.8
140.01184	3.0
141.01926	1.7
149.02356	1.1
151.00368	13.4
151.03923	1.3
153.01941	1.7
159.04492	0.9
165.01955	1.6
166.99898	2.4
167.03558	1.4
168.00668	7.8
169.01428	70.3
170.01772	2.1
179.03346	1.1
191.03419	1.0
193.01451	4.9
211.02455	5.4
223.02487	4.4
227.03461	6.5
229.04947	1.1
241.03484	8.5
255.02985	12.5
256.03604	2.8
257.04443	1.6
283.04633	7.6
284.03244	18.0
285.03995	17.6
300.99957	1.1
301.05664	7.6
307.62048	1.0
341.05048	2.6
342.05920	1.5
343.06668	24.8
344.07089	1.3
373.07767	5.5
385.07706	3.6
403.08951	5.8
427.08856	3.2
428.32254	1.2
445.09863	85.1
446.10242	4.4
463.10989	1.3
495.22623	1.5
546.05939	1.0
567.11414	43.4
567.24286	6.1
568.11627	7.0
597.22034	1.6
656.34955	1.2
657.26385	14.6
657.36511	1.2
658.25977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19975	0.7
61.98830	100.0
69.24910	1.6
69.25314	4.8
98.19860	1.6
151.00333	1.5
161.02478	0.7
176.72636	0.7
180.43509	0.6
227.03479	21.9
228.04034	1.1
255.02995	39.9
256.03534	5.2
270.84543	0.8
284.03259	57.1
285.03860	10.1
551.61774	0.8
593.15076	70.7
594.15369	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	656.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79616	1.0
52.04959	1.1
59.01372	1.6
61.87301	0.9
61.98831	21.4
68.66373	1.0
69.73413	2.2
69.73818	3.4
80.09193	0.9
89.02441	1.4
101.02443	1.0
104.07248	1.2
107.01361	2.4
118.68421	1.2
125.02403	1.8
139.03978	1.6
151.00372	2.1
163.00362	1.9
169.01434	2.5
185.06169	1.7
186.24106	1.1
187.03925	1.7
213.05440	1.4
213.28290	1.1
227.03484	21.4
229.04994	8.0
239.03543	1.0
241.05162	1.2
255.02975	35.8
256.03500	6.1
257.04492	2.9
284.00024	1.0
284.03247	48.0
285.04007	65.9
286.04333	4.3
327.05038	1.2
341.85562	1.0
399.53671	1.1
414.15390	1.6
414.20871	1.2
498.18533	1.1
593.15094	100.0
594.15448	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	656.365
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37760	0.3
53.68291	0.3
59.01381	0.6
61.98830	100.0
71.01380	0.4
71.49766	0.4
78.86105	0.3
78.95900	2.1
96.96998	0.4
122.95961	0.3
152.99643	1.3
163.11340	0.4
202.34200	0.3
207.10350	1.2
208.10573	0.7
209.11864	3.0
210.12103	0.5
211.13370	4.4
212.13843	0.7
225.11421	1.2
226.11688	0.4
227.12888	0.4
362.85510	0.3
464.82541	0.3
638.32935	0.6
656.33228	1.6
657.33795	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.4
61.98833	64.4
67.68822	1.1
69.38436	6.9
75.22002	0.9
87.98585	1.0
88.98816	1.7
89.02415	1.3
93.03473	1.9
96.95973	1.2
101.02435	1.0
107.01363	3.2
117.03458	3.2
119.04997	2.8
121.02953	2.0
123.00843	2.5
125.02429	5.3
133.02951	1.2
135.00876	1.5
137.02446	6.4
145.02969	11.8
150.41069	1.1
151.00380	4.9
162.04451	1.1
163.00328	1.6
163.04018	2.3
169.01442	8.1
185.06146	1.0
209.11823	2.5
211.03909	1.5
227.03496	21.0
229.05048	4.1
255.03009	36.6
256.03607	6.6
257.04410	3.4
284.03287	59.9
285.04025	59.8
286.04309	4.7
324.99734	2.5
447.09335	1.6
503.57901	1.8
567.24420	1.3
593.13031	100.0
594.13409	14.4
657.17615	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	656.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.5
61.98836	51.4
78.79792	1.1
93.03475	1.8
96.96015	1.2
101.02467	1.1
104.01073	1.2
107.01402	3.2
117.03505	2.0
119.05036	3.2
124.01672	1.2
125.02442	4.2
135.00923	1.6
137.02458	3.4
145.02946	8.4
151.00400	3.6
163.00343	2.5
163.04021	2.8
169.01451	6.5
209.11903	3.1
212.04854	1.2
227.03526	21.9
229.05072	5.1
241.05086	1.9
255.02998	38.8
256.03546	8.2
257.04462	3.7
284.03281	51.8
285.04037	60.5
286.04312	3.9
307.08258	2.0
361.13150	1.9
427.91455	1.3
432.61737	1.3
567.24658	2.1
593.13049	100.0
594.13550	15.5
616.01996	1.4
655.33118	2.1
656.34143	1.5
657.17255	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	655.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75397	2.0
55.71238	1.8
56.67182	2.2
61.98833	12.0
78.95917	4.0
93.95512	2.1
99.45227	2.2
122.03756	35.3
135.04543	17.0
136.01659	8.2
149.06067	3.3
184.26170	2.0
191.10617	3.3
225.11331	2.6
242.21594	2.2
279.23224	4.1
315.23273	99.3
316.23520	9.6
339.23294	100.0
340.23538	10.0
437.15836	2.8
604.56879	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	655.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49109	2.0
61.98832	22.2
71.49731	3.8
77.31288	2.3
78.95898	3.7
101.43231	2.0
122.03746	30.6
124.01602	2.5
125.19409	2.1
129.96127	2.7
135.04527	16.6
136.01648	7.9
149.06140	3.2
177.09132	3.2
191.10895	2.6
199.13242	2.5
261.18286	2.8
267.02176	2.0
315.23270	75.9
316.23557	9.9
339.23273	100.0
340.23517	10.4
357.52853	2.1
520.64941	2.4
666.86737	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	655.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32734	1.8
59.01383	100.0
61.23608	1.6
61.98833	53.5
71.01379	5.2
73.02956	1.5
78.95884	3.9
83.05064	3.9
94.69188	1.5
97.02938	2.7
108.35497	1.9
109.06610	11.1
113.02487	1.7
125.02432	1.6
135.08095	1.6
152.99597	2.7
163.11310	8.5
165.12839	2.5
169.01363	2.3
171.10202	2.0
172.71559	1.8
181.12346	2.4
183.13948	3.5
185.11830	3.3
193.37756	1.8
193.58391	2.5
197.63351	1.8
199.13396	2.2
207.10268	27.4
209.11833	82.7
210.12122	3.0
211.13388	39.4
225.11288	14.5
227.12878	8.2
253.09348	4.5
287.03912	2.1
293.21115	5.9
311.22272	35.0
312.22702	2.6
355.21777	1.9
367.31201	2.0
383.22266	3.8
401.23416	7.3
443.19312	1.9
461.20313	4.2
496.96616	2.0
503.33694	3.5
595.38464	2.2
637.32532	11.4
655.33362	14.2
656.33551	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	655.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86038	0.1
55.01871	0.1
58.36418	0.1
59.01376	2.0
61.98833	0.3
65.03971	0.1
69.03461	0.2
71.01379	1.9
73.02938	0.5
79.05517	0.2
80.02692	0.9
81.03455	0.9
83.01398	0.4
83.05027	4.0
84.02169	0.4
85.02944	0.5
87.00868	0.5
89.02447	1.2
93.03440	0.2
93.44214	0.1
94.48145	0.1
95.01352	0.2
95.05029	0.8
97.02938	0.1
98.20659	0.4
101.02451	1.9
101.08491	0.1
109.06586	0.8
111.08128	0.2
113.02479	0.8
119.03465	0.4
121.34818	0.1
121.62559	0.1
123.00854	0.3
125.02448	0.6
125.06103	0.4
125.09718	0.7
135.08209	0.6
136.05307	0.2
145.05067	0.4
147.11903	0.2
149.09645	0.2
150.06848	0.4
161.04547	0.7
163.11282	3.5
164.11537	0.2
165.09230	0.1
165.11626	0.2
165.12871	2.0
169.01424	0.7
171.10280	2.4
172.10559	0.2
179.05591	0.2
179.10793	0.2
181.12367	0.6
183.13885	0.2
185.11800	1.0
191.10794	0.8
198.63763	0.1
207.10260	1.6
209.11826	100.0
210.12161	5.4
211.13397	2.2
212.13788	0.2
221.11906	0.2
221.15460	0.2
225.11298	0.6
227.12883	5.4
228.13145	0.3
231.13829	0.1
233.11833	0.3
235.08252	1.4
235.13428	0.2
247.13419	1.6
249.15001	0.8
251.12741	0.2
253.09286	5.2
254.09706	0.2
265.14542	0.5
285.04132	0.2
339.23196	0.2
355.22858	0.2
357.24530	0.2
373.23822	0.3
383.22385	0.9
401.23285	2.2
419.24423	1.3
445.20798	1.2
461.20630	0.1
493.35385	0.6
619.31372	0.4
637.32281	5.3
638.32550	1.0
655.33228	3.7
656.33832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.9
59.67127	0.6
59.96296	0.6
61.98822	0.9
67.01888	1.5
71.01382	5.3
71.51362	0.5
71.51765	0.8
72.99326	1.1
73.02938	1.0
74.51911	0.5
76.18242	0.6
79.01897	1.0
83.01380	1.6
83.04992	0.5
85.02956	2.9
89.02449	1.0
95.01385	2.4
96.96007	1.9
97.02954	0.6
99.00854	1.1
99.92573	1.1
101.02439	2.6
101.12015	0.6
107.01395	10.9
111.00859	1.8
113.02435	2.1
116.92867	4.4
121.19622	0.6
123.00888	16.4
123.04501	0.5
124.01674	1.1
125.02451	31.5
126.02785	0.9
131.03477	0.7
135.04445	0.8
135.72737	0.6
136.98817	0.8
137.02449	1.9
139.00388	5.1
140.01134	2.5
141.01924	2.0
145.97070	0.6
149.02345	0.7
151.00374	14.4
151.03955	0.7
153.01923	1.0
164.01201	0.6
168.00629	2.5
169.01428	45.9
170.01791	1.5
177.01854	0.6
179.03392	1.2
196.44765	0.6
205.01541	0.9
207.02602	0.7
211.02396	1.3
223.02466	5.0
241.03484	1.0
283.04556	8.2
315.78052	0.7
343.06570	1.3
655.26038	100.0
656.26489	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	654.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78081	0.4
57.01434	0.5
59.01384	7.6
59.55227	0.5
61.98834	100.0
71.01387	5.1
72.99348	0.6
73.02946	1.1
78.95895	0.8
85.02981	0.9
85.07639	0.4
87.00880	0.9
89.02454	3.8
95.01392	0.6
97.02953	1.3
101.02453	2.5
109.06620	1.2
113.02476	1.9
119.03530	1.1
119.43225	0.4
125.02445	3.1
142.02705	0.5
143.03526	1.0
145.02965	0.9
161.04591	1.1
163.11298	0.8
166.44324	0.4
169.01465	1.6
179.05623	0.7
207.10295	4.2
209.11890	2.3
211.13419	6.8
225.11296	2.3
235.08218	2.3
253.09332	0.8
255.23320	6.3
256.23679	5.1
283.49902	0.5
293.21359	0.6
305.09033	0.7
397.13422	5.9
398.13843	4.7
399.14349	0.5
401.23279	1.0
415.14709	1.8
416.14780	2.3
461.20172	1.1
569.30408	0.7
637.32349	2.5
654.33636	0.7
655.33258	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53189	0.2
55.01870	1.6
57.03446	1.4
58.00597	2.2
59.01381	43.6
60.01722	0.3
61.98833	1.7
67.01915	0.4
68.99813	0.4
69.03453	2.9
71.01384	35.9
72.01713	0.5
72.99305	2.4
73.02951	5.6
75.00869	0.7
77.89713	0.2
79.01873	0.2
81.03458	1.4
83.01388	4.1
85.02951	8.0
86.00097	0.3
87.00878	9.2
87.04498	0.2
87.51101	0.2
89.02446	33.8
90.02773	0.5
91.04007	0.6
93.03443	0.4
95.01398	3.0
97.02955	6.3
99.00886	2.4
99.04552	0.5
101.02442	31.0
102.02793	0.4
103.04023	0.4
109.02968	0.8
111.00880	0.6
111.04509	1.4
113.02453	14.5
114.02779	0.4
115.04005	0.9
119.03505	10.2
121.02964	0.7
123.00907	0.5
123.04537	0.4
124.01639	0.5
125.02445	13.5
126.02819	0.3
127.04025	0.6
131.03497	2.2
133.05048	1.2
137.02509	0.4
139.04056	1.2
141.01942	0.6
143.03503	5.9
145.02913	0.4
149.02412	0.4
149.04558	1.7
151.03908	0.3
155.03465	0.4
161.04556	7.8
163.04082	0.3
167.03473	0.9
169.05067	0.7
179.05609	7.0
180.05919	0.3
181.05109	0.3
185.04527	1.1
199.06139	0.6
203.05524	0.4
209.11832	0.5
217.07170	1.0
219.05165	0.4
221.06641	2.7
235.08220	15.0
236.08536	0.7
245.06676	0.9
253.09315	3.4
255.23288	100.0
256.23636	8.5
263.07733	1.6
269.24826	1.0
277.09244	1.1
287.07709	4.0
288.08179	0.3
305.08716	4.2
306.09274	0.3
323.09839	1.9
361.11362	0.8
379.12531	1.2
397.13498	81.7
398.13824	6.3
415.14563	33.1
415.18860	0.5
415.20425	0.5
416.14908	2.5
478.80014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
57.03437	1.4
58.00585	1.9
59.01377	37.6
61.98829	11.1
68.99807	0.7
69.03458	2.4
71.01380	34.8
72.99313	2.9
73.02946	6.1
75.00870	0.8
81.03450	2.1
83.01381	4.2
85.02943	7.6
86.00114	0.5
87.00872	9.2
88.33958	0.3
89.02441	31.3
89.76307	0.3
90.02754	0.6
91.04000	1.1
95.01379	2.7
97.02948	6.3
98.20678	0.8
99.00899	2.7
99.04490	0.5
101.02439	31.4
102.02784	0.6
103.00429	0.4
103.03996	0.6
109.02957	0.8
110.92368	0.3
111.00858	0.4
111.04491	1.3
111.07449	0.3
113.02442	14.3
114.02823	0.4
115.03988	0.8
119.03493	10.9
121.02975	0.7
123.00910	0.6
124.01640	0.7
125.02440	14.0
127.04014	0.6
129.01888	0.4
131.03491	1.4
133.05043	1.1
137.02412	0.8
139.04015	1.0
141.01971	0.8
143.03485	6.5
149.04527	0.8
161.04532	7.0
164.72993	0.3
167.03510	0.7
169.01408	0.8
169.05014	0.7
171.02971	0.4
179.05611	6.4
185.04642	0.4
199.06068	0.5
207.10315	0.6
209.11932	0.6
217.07161	1.1
219.05128	0.5
221.06638	2.9
235.08217	13.6
236.08575	0.6
245.06477	0.7
253.09299	3.1
255.23271	100.0
256.23602	7.4
263.07727	1.4
277.09344	0.8
287.07709	2.8
288.08121	0.6
305.08804	4.1
323.09787	1.9
361.11490	0.8
379.12518	0.9
397.13470	82.7
398.13791	6.7
415.14536	31.3
416.14810	2.2
531.33093	0.4
539.14343	0.3
626.26141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13588	1.0
51.65399	1.0
54.52866	1.0
61.98829	2.3
77.61106	1.0
78.95905	97.8
79.24972	0.9
80.96568	1.1
83.05027	2.1
96.96952	7.2
98.19894	4.4
104.86904	1.1
105.73997	1.1
134.98508	1.2
138.35779	1.0
152.99586	61.1
158.15274	1.0
163.11249	1.7
209.11830	29.9
223.13435	1.9
225.11101	1.1
227.12840	6.9
255.23286	100.0
256.23740	6.3
277.21680	1.3
363.12106	7.4
391.22534	25.2
392.22833	3.0
395.14798	5.2
409.23575	13.1
410.23624	1.3
472.14374	1.2
516.04108	1.1
619.36133	53.0
620.36517	8.5
651.38647	18.3
652.38904	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	651.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30618	3.5
69.31035	12.4
69.78178	1.9
78.95906	100.0
80.96514	5.3
83.05051	2.9
91.30940	1.7
96.96013	6.3
96.96951	8.5
98.19940	3.4
104.41021	1.8
109.76643	1.6
110.78432	1.8
110.98542	3.2
143.29305	1.9
152.99588	61.3
163.11325	2.2
171.10202	1.9
209.11801	34.0
223.13292	5.8
227.12901	7.4
255.23279	95.1
256.23553	8.6
277.21753	7.8
363.11914	9.9
391.22559	19.5
395.14725	4.8
409.23489	8.4
459.81052	1.7
619.36060	42.1
620.36377	7.3
633.36890	3.3
651.38409	29.6
652.38885	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	653.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96404	0.9
69.49326	1.3
73.44213	0.2
78.95908	100.0
83.97887	0.2
96.96965	0.5
148.98889	0.3
149.00099	5.1
152.99623	1.1
154.13130	0.2
155.00047	0.2
179.01181	0.5
200.51230	0.2
205.15993	2.0
225.11432	0.2
255.21063	0.2
255.23320	1.3
285.12646	3.4
286.12814	0.2
355.16888	2.2
381.56155	0.2
385.17676	1.1
391.22604	0.2
417.12424	0.3
447.13443	5.0
448.13406	0.4
653.30121	48.6
654.30475	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	653.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99123	0.6
55.01870	0.8
57.03446	2.0
59.01384	15.7
61.47573	0.6
61.98829	5.7
62.62058	0.7
65.03967	1.1
65.90616	0.7
67.01884	0.9
69.03454	1.4
71.01379	11.0
72.99316	1.5
73.02945	2.8
80.02677	1.4
81.03466	4.6
83.01376	1.8
83.05028	6.8
84.99307	0.7
85.02963	4.6
87.00871	3.6
89.02449	5.1
91.04004	0.8
93.03454	2.1
95.01395	1.8
95.05039	3.4
97.02935	4.5
97.06591	2.6
98.20669	1.5
99.00881	2.9
101.02455	9.1
107.05045	1.8
109.06595	13.7
110.03704	0.8
111.00919	0.8
111.04542	1.1
111.17471	0.6
113.02456	4.3
119.03486	1.4
121.02926	0.7
121.06581	1.6
123.00903	1.3
123.04507	0.8
123.08178	3.2
125.02465	3.8
125.09733	12.3
126.10120	0.8
133.05122	0.8
133.06653	0.8
135.04536	1.2
135.08154	3.0
136.05304	1.2
137.06035	0.7
142.02754	1.3
143.03482	1.0
145.05112	2.1
147.08073	0.9
147.11771	0.9
149.09750	1.4
151.11285	0.8
161.04543	2.6
161.09708	2.4
163.11292	13.9
164.11621	1.0
165.12828	2.0
169.01445	2.4
169.12328	0.8
171.10280	13.2
175.11203	1.0
177.12790	0.7
179.05595	1.0
179.10835	0.9
181.05084	0.9
181.12329	4.8
185.11853	8.4
187.09746	2.1
189.09212	1.6
191.10822	1.2
191.14415	1.5
197.11911	0.7
201.12904	1.7
203.10820	1.0
203.14420	3.0
205.12328	1.8
207.10257	46.2
208.10567	1.7
209.11827	93.9
210.12215	3.6
211.07628	0.7
211.13345	1.8
213.09177	1.6
217.12378	6.3
219.13902	1.7
221.11836	4.1
221.15439	1.2
223.09789	1.2
223.13466	1.0
225.11320	34.2
226.11763	2.0
227.12877	1.9
229.12279	1.7
231.10233	2.6
235.08183	5.8
235.13408	3.7
237.14975	1.0
243.12328	1.8
245.11830	5.0
247.13412	6.8
249.11266	3.7
253.09265	7.1
263.12903	9.3
264.13174	0.7
265.14462	4.0
285.01221	0.7
285.03806	3.7
299.15021	1.0
311.23770	0.8
316.20166	0.7
329.24698	1.4
329.90921	0.7
337.21625	1.1
355.22830	2.2
371.22159	1.0
373.20697	0.7
373.23990	5.8
381.20633	2.0
389.23282	1.9
391.20425	0.8
391.24847	3.2
399.21823	11.3
400.21710	0.9
407.24380	1.0
417.22827	19.8
418.23248	1.9
435.23688	5.7
443.19092	3.6
455.26413	1.8
461.20178	10.4
481.20834	1.2
485.20279	1.1
491.26129	1.9
499.21442	3.1
609.32086	2.7
625.32001	1.7
635.30743	29.7
636.31140	5.2
653.31775	100.0
654.32166	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	651.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14474	0.6
59.01378	18.4
61.98811	1.4
66.36320	0.7
67.73660	0.8
69.19443	7.8
71.01392	10.6
72.44095	0.7
73.02932	1.4
73.07331	0.8
83.01402	1.0
85.02949	3.2
87.00848	1.1
89.02452	10.1
95.01396	1.1
96.96020	5.0
99.08156	10.4
101.02446	7.1
107.01373	1.1
113.02467	4.5
119.03487	3.2
122.03719	1.3
123.00880	2.7
124.01604	0.7
125.02441	6.0
126.90498	0.8
127.07635	3.0
129.09187	0.9
135.04547	0.9
136.01625	0.7
137.02480	1.1
137.06087	35.2
139.00371	1.5
139.83128	0.7
141.01881	0.8
141.09166	1.0
145.08702	35.6
146.09019	1.1
151.00371	2.5
163.03990	10.7
169.01434	7.1
179.05644	1.1
181.05066	45.6
182.05385	2.0
187.09700	1.3
196.18927	0.7
211.02615	1.2
249.75854	0.9
271.04718	2.2
307.13980	100.0
308.14258	6.3
313.05566	1.0
323.09406	0.8
343.10297	26.8
344.10614	2.0
369.19067	0.8
423.84552	0.7
499.18250	31.7
500.18716	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	651.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96423	1.1
69.44451	2.5
69.44859	1.2
78.95902	100.0
81.03455	0.7
83.05020	2.2
95.38520	0.5
96.96959	8.0
110.98483	0.8
115.66647	0.5
122.06219	0.5
134.98508	1.6
140.77470	0.6
152.99579	55.4
153.99915	0.9
163.11269	1.7
165.12819	1.1
171.00540	0.8
201.11313	2.5
201.61201	0.6
209.11818	32.7
210.12183	1.9
223.13432	1.3
227.12852	5.4
255.23279	82.6
256.23636	7.3
277.21631	1.6
363.12097	5.9
364.12534	1.0
381.12863	1.1
391.22507	21.2
392.22675	2.0
395.14761	5.5
409.23553	11.8
410.23911	1.9
413.15506	0.7
605.35510	0.6
619.36133	44.7
620.36377	8.7
633.37384	1.3
651.38654	19.3
652.38867	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	651.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07295	0.7
56.66193	0.7
57.96081	0.6
59.01376	5.3
60.07542	0.6
61.98835	2.5
67.01883	1.4
69.03448	1.8
71.01390	8.0
72.99316	1.7
73.02950	1.5
79.01891	1.7
83.01411	1.4
83.05041	1.5
85.02956	2.7
85.25742	0.7
87.00845	1.1
88.98811	2.1
89.02470	2.1
93.03456	1.2
95.01393	4.8
96.95992	2.0
97.02958	2.3
98.20686	1.4
99.00904	1.1
101.02444	2.7
107.01390	14.4
107.05045	0.8
111.00886	3.9
113.02438	2.3
113.63490	0.6
121.02958	20.8
123.00892	22.4
124.01685	1.6
125.02448	44.9
126.02770	2.3
127.00358	1.3
128.90128	0.8
131.03476	2.0
136.98805	2.7
137.02440	1.5
139.00368	10.1
140.01147	5.9
141.01955	2.6
149.02443	1.3
149.04578	0.8
151.00365	16.8
151.93124	0.9
152.00850	0.8
153.01923	1.6
158.93579	0.9
163.04045	0.9
166.02629	0.8
166.99765	1.3
167.52577	0.7
168.00638	7.1
169.01424	59.7
170.01802	2.2
173.06078	0.9
176.86681	0.7
179.03462	1.0
191.05635	0.8
191.07167	1.6
193.01456	0.8
211.02498	3.4
217.05077	1.3
223.02457	7.4
235.06082	3.1
241.03528	2.3
264.35562	0.8
271.04807	1.3
283.04559	9.7
301.05713	1.7
307.08194	0.8
327.21860	1.1
343.06558	3.5
409.11478	3.1
445.09674	1.0
447.79050	0.8
469.13467	1.3
489.27817	0.9
511.14871	1.2
519.31763	1.6
529.15619	36.0
530.15741	4.0
565.22949	0.9
607.24011	2.9
615.23022	2.8
651.19440	100.0
651.30267	11.7
652.19647	16.6
652.29352	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	649.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46765	1.7
57.03447	2.3
59.01378	3.8
69.03451	2.1
71.01373	4.1
78.95902	48.6
95.01411	3.1
95.05033	5.8
96.96992	1.8
97.02950	4.8
97.06601	3.1
98.19949	4.4
99.00893	3.2
109.06590	16.6
110.03749	1.9
110.98537	29.2
125.09726	4.7
135.08134	2.6
148.25322	1.5
152.99628	10.4
163.11292	17.4
167.01144	16.8
171.10263	14.4
179.10802	3.1
181.12393	10.4
185.11790	4.7
189.09152	4.1
197.11746	3.7
199.09692	2.4
199.13330	3.7
207.10266	49.3
211.13353	3.1
225.11324	92.7
226.11597	3.8
243.12357	14.4
255.23282	100.0
256.23529	9.0
257.13852	2.4
374.13300	1.9
375.12021	4.6
377.54834	1.8
393.13187	5.0
413.15851	2.5
423.25171	10.3
631.36108	49.7
632.36591	7.8
642.26190	2.0
649.37213	39.1
650.37531	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	649.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.8
58.00604	1.6
59.01359	2.1
69.03439	1.0
71.01378	7.5
71.05047	1.1
71.49870	1.5
73.02944	5.5
78.95903	41.5
81.03477	1.2
85.02947	1.4
95.05009	5.1
97.02937	3.4
99.00876	3.2
109.06592	9.3
109.97729	1.2
110.03667	1.5
110.97832	2.0
110.98534	24.2
125.06091	1.4
125.09719	4.6
126.89304	1.0
127.11333	2.0
127.70213	1.0
137.09756	1.4
139.07697	1.2
149.09750	1.7
151.11285	1.3
152.99605	15.6
155.10751	4.0
157.12503	1.4
161.09683	2.0
163.11290	11.1
167.01164	11.4
167.10715	1.3
171.10268	18.6
172.17479	1.1
179.10767	3.3
181.12352	8.1
183.10222	2.8
185.11801	7.8
189.09247	2.1
197.11806	1.7
199.09775	9.2
199.13377	3.1
207.10249	25.5
209.11858	1.3
211.13440	1.3
215.12892	6.3
225.11302	57.1
226.11537	2.6
243.12344	9.8
253.21696	1.4
255.23276	100.0
256.23621	8.1
375.11963	2.3
391.22327	1.9
393.13110	4.8
405.24146	1.1
409.23697	3.1
413.15851	4.1
423.25143	11.1
484.22891	1.2
617.34253	4.0
631.35999	25.0
632.36737	2.6
649.37195	75.8
650.37610	9.0
679.33789	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	649.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65234	3.7
60.09777	4.3
61.98837	5.0
63.37373	3.7
69.15044	4.0
85.37037	3.8
89.21230	3.4
93.92092	4.0
95.01394	6.6
96.95997	11.4
96.96976	4.8
107.01363	4.9
109.07719	3.7
116.18932	3.5
117.03465	3.6
123.00922	19.8
125.02448	94.1
127.54015	4.2
133.02928	7.2
137.02446	6.2
139.08157	3.6
145.02962	7.8
147.04486	4.7
149.02454	4.8
161.02477	12.7
162.48386	4.0
166.99892	20.6
169.01437	100.0
173.02441	10.8
189.01941	9.1
190.99979	4.1
191.03488	8.2
201.01897	10.0
216.00652	4.6
217.01346	23.8
226.99777	6.9
229.01360	10.6
242.99425	5.5
245.00890	30.1
247.02559	9.6
261.00223	5.9
270.98868	20.1
273.00397	44.9
274.00739	5.0
298.98355	44.5
299.99066	16.6
300.99893	54.0
313.05630	6.5
316.98956	4.9
371.24335	4.4
401.41119	4.9
405.04614	8.7
417.04782	5.9
433.04019	17.4
443.02658	9.5
445.04169	37.3
451.08691	9.2
461.03595	47.2
463.05069	26.6
569.05847	5.9
613.04889	10.9
649.19714	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	649.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25134	2.3
59.26231	2.1
61.97102	1.9
61.98803	3.2
65.00346	2.3
69.03455	3.1
69.38560	18.1
71.01388	4.6
71.03668	2.0
72.09989	2.3
75.80753	2.1
95.01392	5.8
96.95964	4.0
97.02944	3.0
103.58889	2.7
117.03481	3.3
119.04969	2.3
121.02936	2.8
123.00918	14.5
125.01530	4.0
125.02450	74.2
126.02803	3.3
129.30983	2.0
133.02890	4.6
137.02422	4.8
138.61031	2.4
140.01186	2.1
145.02968	9.1
160.01645	2.6
161.02406	8.6
163.00348	4.4
163.03964	4.4
163.45897	2.6
166.99843	15.4
169.01430	100.0
170.01750	2.3
173.02448	5.5
176.01328	2.3
178.99774	3.0
185.02388	3.0
187.00388	4.7
189.01888	13.1
190.02657	2.1
191.03458	7.9
191.05612	3.7
200.01141	3.6
201.01903	10.7
203.03366	3.1
214.99719	3.7
216.00600	4.5
217.01375	18.1
226.99950	3.8
229.01442	9.3
231.02963	2.6
233.00763	3.2
235.02467	2.7
242.99292	5.1
245.00911	24.4
247.02438	25.2
249.03760	2.2
254.99400	2.7
257.00928	4.6
261.00354	5.7
270.98911	11.4
271.99469	3.5
273.00409	45.8
274.01044	4.9
275.01904	6.6
285.00558	3.0
285.03702	2.5
291.01447	7.2
298.98328	29.3
299.98987	10.4
300.99884	46.5
302.00333	5.0
313.00043	2.6
313.05484	3.8
316.99350	5.3
336.62302	2.2
389.05032	3.7
405.04733	4.9
417.04520	4.8
433.04041	20.7
435.05798	6.3
443.02267	12.7
445.04099	25.9
446.04245	2.8
461.03568	34.1
462.03992	3.1
463.05200	23.5
479.05283	2.9
497.13199	2.6
603.05658	3.3
605.08307	3.7
613.04779	14.8
614.04822	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	647.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
57.03446	0.5
58.00603	1.0
59.01379	4.8
59.43528	0.3
59.83010	0.2
61.98831	3.0
65.71314	0.3
69.24673	2.7
71.01382	4.0
73.02940	0.9
80.02696	1.0
80.57324	0.2
81.03465	1.2
83.01388	0.8
83.05023	3.7
84.02161	0.5
85.02956	1.5
87.00878	0.6
89.02435	2.9
91.03992	0.3
93.03452	0.5
95.01395	0.3
95.05031	0.4
96.96004	0.6
97.02963	0.4
97.06612	0.5
98.19928	0.5
99.00916	0.4
101.02438	4.1
109.02987	0.3
109.06591	0.4
111.08188	0.4
113.02434	2.2
116.92877	0.4
119.03503	0.9
123.00901	0.5
123.08195	0.6
125.02443	2.3
125.06041	0.5
125.09726	3.3
127.11298	5.0
131.03560	0.4
133.05063	0.3
135.08171	0.5
137.02452	0.4
137.09720	0.9
139.00386	0.5
139.11272	0.5
140.01213	0.4
143.03513	0.5
145.89075	0.3
147.37398	0.3
151.00372	0.5
155.10768	2.3
157.12321	0.5
159.34457	0.3
161.02423	0.3
161.04570	1.4
163.11272	3.0
165.09207	2.1
165.12842	1.8
168.00655	0.4
169.01451	2.0
171.10284	3.0
179.05595	0.6
179.10760	1.2
181.12297	0.7
183.03020	0.4
183.10291	1.1
185.11804	0.5
191.10803	0.8
199.09703	1.7
199.13414	0.7
201.11317	100.0
202.11642	4.1
203.62949	0.3
207.10286	0.3
209.11821	91.8
210.12173	5.0
221.11919	0.3
223.09842	0.4
223.12976	0.3
225.11375	0.5
227.12872	10.9
228.13197	0.9
235.08205	4.0
239.12871	0.6
253.09279	17.7
254.09618	0.7
272.02988	0.3
285.03867	0.4
300.02625	0.4
353.15985	0.4
375.21622	2.0
393.22925	1.6
405.17593	0.5
411.23880	0.7
419.19070	0.3
437.20337	1.6
445.10046	0.3
445.20795	1.2
487.49326	0.3
584.11200	0.5
611.30652	0.6
629.31158	0.7
647.20178	0.4
647.31836	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40487	2.8
55.73601	2.6
57.03434	4.3
59.01384	92.9
61.98836	27.5
69.03446	4.0
71.01004	4.6
71.01386	50.2
72.43848	2.8
72.99307	5.1
73.02941	9.6
75.26090	2.6
83.01365	5.6
83.05040	3.3
85.02954	19.4
87.00886	5.4
89.02449	42.4
95.01383	7.4
96.95979	8.7
99.00867	3.4
101.02456	31.9
101.41682	2.9
107.01390	3.5
113.02462	33.5
116.92876	6.5
119.03496	16.0
123.00906	5.6
125.02469	16.5
125.09700	6.0
127.11241	4.6
143.03491	3.0
146.00928	2.8
153.01880	3.0
155.10808	3.3
161.04520	6.7
169.01402	21.9
171.10216	6.6
179.05571	7.0
179.10800	5.6
183.02945	6.8
185.11873	3.9
199.09692	3.6
199.13380	4.0
201.11336	100.0
209.11847	60.9
210.12018	4.8
211.02365	3.8
227.12811	14.7
229.69482	4.2
253.09241	22.5
261.18561	9.4
263.16522	15.7
285.03848	4.5
287.16571	5.7
303.05228	3.4
323.18729	4.9
373.95883	2.9
375.21808	3.5
423.22687	3.0
437.19559	3.6
442.99814	3.4
445.09888	3.7
477.99875	3.2
485.23825	11.7
520.62207	3.1
543.28113	47.7
544.28412	10.2
544.89899	4.0
561.29059	48.6
562.29541	8.5
603.30145	4.0
647.28772	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	647.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.5
60.72426	0.9
67.37119	0.9
69.34510	3.2
69.34933	4.7
71.01379	5.5
85.02955	1.8
89.02471	3.0
95.01405	1.7
98.19903	1.6
101.02452	2.8
107.01402	1.9
108.01472	2.1
108.02180	40.0
109.02955	12.2
113.02448	1.6
117.47328	1.0
119.03471	1.0
123.00896	4.4
125.02454	29.9
126.02804	1.2
133.03062	1.0
139.00366	2.8
151.00356	5.1
152.01160	37.9
153.01968	15.2
165.01953	2.1
167.03503	1.2
168.00604	6.9
169.01428	69.1
170.01729	2.5
180.22028	1.1
211.02475	27.8
241.03513	6.1
271.04581	47.4
272.04962	3.5
315.07202	64.0
316.07535	4.7
331.06693	100.0
332.07147	7.9
341.67834	1.0
342.87225	1.0
377.43817	1.1
421.10187	1.0
445.84940	1.0
451.75156	1.1
457.92700	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.5
70.13942	2.3
71.01385	1.9
73.02931	0.7
85.02963	0.8
89.02455	0.8
95.01433	0.7
96.95998	0.6
97.02930	0.7
101.02430	1.3
107.01373	3.1
111.00888	1.0
119.05206	0.6
123.00886	4.0
124.01675	1.1
125.02456	32.6
137.02458	0.8
139.00378	2.8
140.01138	1.3
151.00406	2.8
153.01779	0.6
165.01993	0.8
168.00648	6.3
169.01433	57.6
170.01704	1.5
181.01450	0.7
191.05739	0.8
193.01382	0.8
211.02495	30.8
212.02829	1.6
213.67874	0.6
217.79601	0.6
241.03502	2.2
256.67514	0.6
271.04587	47.7
272.04959	2.2
275.68079	0.6
287.05643	1.0
313.05652	12.9
331.06680	5.7
452.26556	0.6
483.07809	100.0
484.08194	10.5
645.13031	17.4
646.13208	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	646.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.0
61.98835	13.1
65.00365	1.2
66.14042	1.1
69.40940	9.9
71.01389	2.3
71.17430	1.2
101.99165	1.4
107.01395	2.9
108.41909	1.3
109.02957	4.3
123.00905	2.7
123.04598	1.4
125.02441	13.7
137.02463	2.7
139.00378	1.5
148.01688	1.9
151.00342	10.8
153.01949	4.6
163.00398	1.9
168.00552	2.0
169.01405	10.4
178.99873	5.3
188.55099	1.5
189.77051	1.5
192.40175	1.3
193.58266	1.6
195.98921	1.3
211.02438	2.1
227.03490	5.0
243.03026	7.6
244.03833	1.4
254.02226	1.6
255.00555	2.4
255.03001	28.3
256.03564	2.1
258.49130	1.7
271.02457	44.2
272.02991	4.7
284.03305	6.0
285.03943	6.3
297.06287	1.9
300.02737	83.2
301.03394	30.0
302.04001	1.8
322.83255	1.6
463.08774	10.6
583.10950	100.0
584.11273	14.1
612.95636	1.7
646.14630	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	643.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33525	0.7
57.03418	2.0
59.01378	4.7
61.98810	2.9
61.99125	0.7
69.03435	0.9
70.84784	0.7
71.01389	5.2
73.02943	1.1
83.01397	1.1
83.05002	0.9
85.02936	1.8
87.00866	1.2
89.02426	3.4
95.05023	1.2
97.06578	4.3
98.20665	2.3
101.02439	4.6
113.02445	2.1
125.02370	1.1
125.09740	0.9
129.28349	0.7
134.38478	0.8
143.03398	0.7
151.11282	17.9
156.71117	0.8
160.03120	0.8
161.04518	1.5
167.14211	0.8
169.12334	68.1
170.12663	2.5
171.10228	1.6
183.13916	7.3
193.12344	2.1
195.10194	3.7
197.11827	10.5
198.12152	1.0
199.13354	1.2
207.10199	2.0
209.11778	8.2
210.12160	1.0
211.13383	67.0
212.13725	7.3
213.11292	9.8
213.13940	1.3
225.11472	1.0
227.12848	3.0
235.08205	2.3
243.12183	0.8
253.09271	5.9
431.19223	2.4
447.22601	1.0
449.20172	6.3
643.33319	100.0
644.33691	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	645.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45787	0.6
59.01387	2.4
69.48795	4.5
71.01379	3.5
72.99319	0.7
82.49003	0.6
83.33439	0.7
85.02948	0.8
87.00900	0.9
89.02460	1.5
93.03457	0.9
95.01408	1.0
97.02942	0.8
98.55124	0.6
101.02477	2.1
107.01367	5.0
109.02940	0.9
111.00887	1.9
113.02458	1.8
123.00893	9.6
123.50607	0.8
124.01678	2.6
125.02461	62.0
126.02825	1.4
136.98843	1.1
137.02501	1.7
139.00412	3.3
139.04013	1.0
140.01166	3.4
141.01962	1.1
151.00342	4.5
165.01906	0.9
166.99870	2.9
167.03545	1.3
168.00645	11.3
169.01436	100.0
170.01778	2.8
181.01457	1.0
193.01486	2.1
211.02481	35.5
212.02866	1.7
213.04131	0.7
223.02437	0.8
241.03572	6.8
242.03909	0.7
253.03525	0.8
270.03870	0.8
271.04602	42.8
272.04926	3.0
283.04620	1.7
295.04785	0.9
312.04913	1.2
313.05652	25.6
314.05823	1.7
331.06665	10.4
373.07758	4.7
403.08823	2.2
433.09866	7.1
465.06564	2.0
475.10999	4.9
483.07803	71.9
484.08234	6.3
493.12030	19.1
494.12466	1.0
645.13092	52.9
646.13446	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	643.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83892	0.3
59.01379	4.1
61.98828	0.8
69.03461	1.1
70.81080	0.6
71.01385	2.9
71.05043	0.3
73.02948	0.9
80.02705	0.9
81.03473	1.4
83.01396	0.5
83.05022	4.1
84.02186	0.6
85.02974	0.6
87.00888	0.6
88.74644	0.3
89.02444	2.1
93.73735	0.3
95.05038	0.6
97.02950	0.3
101.02438	3.2
109.06610	0.4
113.02463	1.7
119.03516	0.6
125.06097	0.5
125.09760	0.4
130.04222	0.3
135.08182	0.4
143.03499	0.3
145.05043	0.5
152.99565	0.3
153.09039	0.4
153.12830	1.2
161.04568	1.2
163.11287	2.8
165.12848	1.9
167.29799	0.3
169.10892	0.5
169.12331	6.3
171.10275	1.0
177.93585	0.4
179.05629	0.5
179.10747	0.8
181.12289	0.4
191.10744	0.8
197.11829	100.0
198.12164	4.6
199.13365	0.3
201.11342	1.0
209.11826	82.9
210.12169	3.8
223.13342	1.3
227.12878	11.4
228.13121	0.6
229.99307	0.3
235.08228	3.0
235.13336	1.2
253.09288	8.6
389.23175	0.6
433.20773	4.2
445.20752	1.2
542.86591	0.3
570.27472	0.3
607.30774	0.8
625.32166	0.5
643.31274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
57.03455	0.3
59.01376	3.1
61.98820	1.5
65.03972	0.3
69.03467	0.7
71.01375	2.7
73.02975	0.6
80.02710	0.8
81.03481	0.9
83.01417	0.4
83.05022	4.9
84.02198	1.1
84.27407	0.3
85.02967	1.0
87.00888	0.8
89.02445	2.2
93.76395	0.3
95.05040	0.6
97.06570	0.4
101.02444	3.0
109.06595	0.5
113.02475	1.4
118.85176	0.3
119.03497	0.4
125.06130	0.7
125.09736	0.7
135.08186	0.5
143.03522	0.5
145.05092	0.6
153.09256	0.4
153.12852	1.2
161.04523	1.5
163.11305	3.4
165.12840	2.2
169.12337	6.0
171.10257	1.5
179.05478	0.5
179.10893	0.5
181.12370	0.6
191.10794	1.1
197.11823	100.0
198.12154	4.8
199.13377	1.0
201.11308	3.4
207.10274	0.4
209.11816	95.3
210.10266	0.5
210.12154	4.8
210.18977	0.3
211.13300	0.4
223.13437	1.9
227.12877	14.5
228.13199	0.7
235.08246	3.6
235.13379	1.5
235.35797	0.3
253.09277	10.7
389.23157	0.7
415.19751	0.5
433.20761	3.8
445.20627	1.3
607.30908	0.9
625.31995	1.1
643.32898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52597	0.2
57.76237	0.2
59.01380	0.3
61.98830	100.0
71.50497	0.3
78.95903	0.7
152.99629	0.5
211.13480	0.3
229.71658	0.3
295.22693	0.2
331.56833	0.2
345.98712	0.2
431.21933	0.3
519.79535	0.2
564.18103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.0377
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28464	0.4
59.01377	99.8
60.01705	1.5
61.98836	4.3
69.12753	2.6
69.13183	2.3
90.97166	0.5
97.02566	0.5
113.04580	0.6
118.96597	0.7
132.98203	1.5
157.03540	5.5
159.01492	1.6
174.99240	21.1
176.98106	4.4
201.02545	62.2
202.02718	3.8
217.00285	100.0
218.00623	3.5
218.98062	0.5
219.97713	1.7
264.06738	0.5
307.03290	0.4
324.13962	0.5
343.03696	15.3
344.03955	2.2
359.01450	77.9
360.01617	6.6
491.79688	0.5
501.02652	5.8
508.06415	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.4
59.01378	6.5
61.98847	0.3
69.03456	0.7
71.01383	9.0
72.99310	0.4
73.02955	1.9
81.03471	1.7
83.01389	1.1
85.02953	4.8
87.00861	0.4
89.02441	3.3
90.59513	0.3
93.03465	0.8
94.10200	0.3
95.01389	3.5
96.96001	0.3
97.02950	0.3
99.00877	0.7
101.02439	4.7
108.02176	58.8
109.02964	34.1
110.03282	1.0
113.02458	3.1
118.58400	0.3
119.03521	1.1
121.02977	1.0
121.10252	0.8
121.44165	0.2
123.00875	2.6
123.04542	0.7
125.02442	0.7
133.02940	0.5
134.03760	0.4
135.00893	1.5
151.04010	1.1
152.01160	63.4
153.01952	20.8
154.02310	0.6
161.02460	0.3
161.04564	1.0
163.04028	1.0
165.01923	1.0
165.05710	0.3
165.09229	0.4
167.10786	0.7
169.01494	0.4
175.03964	0.3
183.02943	0.4
196.94180	0.2
207.03110	0.3
225.04091	0.3
272.66299	0.3
297.06152	0.4
315.07300	1.7
345.15430	0.7
353.95819	0.3
355.04413	0.3
463.16180	0.6
465.17621	8.1
466.17844	1.0
481.17065	0.5
643.22400	100.0
644.22742	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	641.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
60.61895	0.2
61.98820	0.7
66.53905	0.1
69.03433	0.4
69.95745	0.5
71.01383	1.6
73.02954	0.3
74.02265	0.1
83.01393	0.2
83.05033	0.3
85.02946	0.5
87.00865	0.6
89.02444	1.0
95.01376	0.2
98.19990	0.2
99.00863	0.2
101.02449	1.4
113.02438	0.8
119.03493	0.5
121.73161	0.1
125.09765	0.2
155.10788	0.3
161.04535	0.6
163.11337	0.2
165.12863	0.2
167.10780	0.4
167.14397	0.5
171.10265	0.3
179.05568	0.2
179.14510	0.2
183.13895	5.9
184.14281	0.3
193.12338	1.5
194.12646	0.1
197.11800	0.6
199.09708	0.4
207.10324	0.3
209.11899	0.7
210.06264	0.1
211.13382	100.0
212.13721	5.3
223.13409	0.5
225.11330	0.4
235.08223	1.8
253.09262	3.9
254.09651	0.1
268.91821	0.1
306.93292	0.2
346.64804	0.1
357.06335	0.2
369.24341	0.2
387.25464	0.4
405.26251	0.3
429.21307	0.6
447.22348	4.6
448.22784	0.6
535.88654	0.2
605.30200	0.2
623.34082	0.7
641.33356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24745	0.4
55.36037	0.3
59.01370	2.2
61.98839	2.2
69.03433	0.6
71.01382	1.3
73.02917	0.4
83.05021	0.5
85.02927	0.5
87.00892	0.8
89.02448	1.0
97.06621	0.4
101.02428	1.3
101.89266	0.4
113.02445	1.1
123.39565	0.4
124.13568	0.3
124.36823	0.4
125.02454	0.5
161.04543	0.9
163.11284	0.6
169.12303	0.5
171.10275	0.6
175.71889	0.3
181.12346	0.6
183.13889	5.2
193.12341	1.3
197.11829	1.3
199.13387	1.6
207.10190	0.7
209.11858	2.0
211.13382	100.0
212.13741	4.6
223.13371	0.7
225.11305	1.4
229.39532	0.4
235.08183	2.3
243.27248	0.4
252.03513	0.4
253.09319	4.3
387.25348	0.6
405.26520	0.3
429.21198	0.5
447.22314	3.8
623.33600	0.8
641.39655	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.37
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47914	0.4
55.41733	0.5
59.01390	1.1
60.43639	0.5
61.98829	100.0
70.08664	1.5
70.09077	1.1
75.26427	0.5
78.95911	1.1
80.96523	2.7
101.41015	0.7
108.09203	0.5
116.88007	0.5
125.02435	1.0
126.39317	0.6
135.93622	0.5
146.72072	0.6
152.99574	0.8
211.13304	0.7
225.00816	0.5
474.95847	0.5
475.60300	0.6
544.69415	0.5
555.28235	3.7
556.29486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98829	0.4
71.01360	0.5
71.22275	0.2
73.02905	0.2
76.57670	0.2
89.02454	0.4
99.92580	9.2
100.92588	0.4
101.02426	0.3
107.01395	0.3
108.02208	0.3
109.02983	0.3
116.92858	100.0
117.92861	3.8
123.00903	0.4
125.02464	1.3
136.99104	0.2
139.00439	0.3
151.00380	0.3
153.01888	0.3
167.88411	0.2
168.00699	0.3
169.01399	1.2
174.01694	0.4
177.01935	0.3
200.61102	0.3
229.04933	0.2
255.03000	0.6
268.41302	0.2
284.03110	0.4
285.03979	0.5
305.95114	0.2
418.22458	0.3
523.21893	1.0
605.13208	0.7
623.14563	0.4
641.28308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98829	0.4
71.01360	0.5
71.22275	0.2
73.02905	0.2
76.57670	0.2
89.02454	0.4
99.92580	9.2
100.92588	0.4
101.02426	0.3
107.01395	0.3
108.02208	0.3
109.02983	0.3
116.92858	100.0
117.92861	3.8
123.00903	0.4
125.02464	1.3
136.99104	0.2
139.00439	0.3
151.00380	0.3
153.01888	0.3
167.88411	0.2
168.00699	0.3
169.01399	1.2
174.01694	0.4
177.01935	0.3
200.61102	0.3
229.04933	0.2
255.03000	0.6
268.41302	0.2
284.03110	0.4
285.03979	0.5
305.95114	0.2
418.22458	0.3
523.21893	1.0
605.13208	0.7
623.14563	0.4
641.28308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.6
59.01374	4.3
61.90602	0.6
61.98826	6.5
65.00298	0.6
66.92783	0.8
67.01878	1.7
69.03445	0.8
69.21920	5.2
69.22340	1.4
71.01379	6.0
72.38175	0.6
72.99310	1.2
73.79710	0.7
79.01894	2.9
79.95705	1.0
80.96533	3.2
85.02945	2.8
88.98791	2.1
93.03423	1.9
95.01403	3.4
96.95995	1.1
97.02958	0.7
97.06591	1.8
98.20696	1.6
101.02436	2.9
103.00371	1.0
105.03429	0.6
107.01389	14.2
109.02962	1.1
111.00851	1.6
111.04475	0.8
113.02410	1.8
116.92828	1.2
121.02967	1.0
123.00884	25.6
125.02444	44.4
126.02795	1.3
127.07648	0.7
134.03717	0.8
136.98819	1.0
137.02460	3.3
139.00380	5.8
140.01202	3.1
141.01945	2.1
148.01660	0.8
149.02388	1.2
151.00368	14.2
151.04123	0.6
152.00793	0.7
153.01912	2.3
161.02391	1.1
163.03998	0.9
165.01921	1.1
167.03528	1.1
168.00635	5.1
169.01422	87.3
170.01784	3.0
171.10213	1.1
174.01643	1.0
183.02910	1.3
185.11812	0.8
191.14388	1.3
193.01411	1.0
209.11711	1.1
211.02487	7.5
211.13397	2.7
229.14465	1.5
235.13342	1.5
253.03450	1.1
285.07538	1.4
291.19611	1.6
313.05692	1.5
327.21747	7.4
331.06473	0.8
351.21628	1.3
440.11295	0.7
447.09219	0.9
461.12579	3.4
461.21616	1.3
479.22754	9.7
480.23129	0.9
641.28046	100.0
642.28284	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	639.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.6
67.01855	0.5
67.07547	0.4
71.01398	3.7
71.50134	0.6
71.50526	0.7
72.00916	0.8
74.02486	1.3
76.44435	0.5
85.02974	0.8
89.02437	3.1
91.01891	1.5
93.03465	2.4
94.41380	0.4
95.01366	0.5
101.02467	2.7
109.02950	2.2
113.02488	1.1
116.05067	3.5
119.03539	1.6
125.02457	1.4
135.00879	5.9
135.01820	0.6
137.02455	100.0
138.02763	2.8
142.06631	1.7
149.02556	0.6
151.04002	0.8
153.01967	1.2
159.09265	1.0
163.79198	0.5
169.01427	2.0
171.18126	0.5
179.03467	1.7
200.55746	0.5
203.08278	4.1
211.02621	0.5
252.08388	0.5
299.07727	8.2
300.08154	0.7
315.07166	1.2
323.13507	14.4
324.13831	0.9
548.03729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	1.6
59.01381	34.7
70.17196	1.2
71.01008	2.1
71.01382	21.6
72.99284	1.9
85.02943	4.4
89.02443	27.1
96.96011	3.9
98.20634	3.4
100.43214	1.3
101.02436	15.6
104.50093	1.4
109.02949	4.8
113.02441	9.6
117.34055	1.4
119.03507	7.9
119.04946	1.4
125.02438	4.8
137.02428	4.9
142.16887	1.7
149.04436	1.5
153.01923	6.6
169.01384	4.3
189.60271	1.5
248.94995	1.5
298.03595	1.3
315.07294	1.7
323.13477	100.0
324.13699	4.3
405.44968	1.4
477.12604	1.8
639.18567	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	639.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57455	0.7
55.01872	2.0
57.03427	2.7
59.01381	20.7
61.98823	11.9
65.03934	2.8
69.60791	1.8
69.61200	3.4
71.01005	1.5
71.01379	21.3
72.99303	1.8
73.02943	5.0
78.95900	17.6
80.02657	1.1
81.03445	2.4
83.01379	3.2
83.05028	6.8
85.02948	6.9
85.06601	0.8
87.00880	7.3
89.02439	11.3
92.57598	0.8
93.03436	1.0
95.01375	2.8
95.04995	1.9
96.96945	2.3
97.02950	1.6
97.06591	4.4
99.00854	2.6
100.19515	0.9
101.02439	15.2
109.06594	2.5
111.08144	3.8
113.02428	9.0
115.04027	1.0
116.92767	0.8
119.03478	2.3
119.04944	1.2
123.08125	1.3
125.02418	3.0
125.09716	16.3
127.11206	1.0
129.01933	1.0
135.08144	1.5
136.05344	1.4
137.09721	2.0
143.03517	0.9
145.05077	4.5
148.05333	1.1
151.11322	1.3
152.99586	11.6
153.09183	1.0
161.04533	3.4
163.07622	2.8
163.11227	2.5
165.12834	1.6
169.01387	1.7
171.10262	38.4
172.10612	1.9
179.05583	1.2
183.02917	1.8
183.13873	3.5
183.59923	0.8
185.11789	2.8
187.09714	1.5
187.11255	0.9
189.12814	0.9
189.16464	2.0
193.12372	1.5
197.11859	1.0
201.12935	1.1
205.15961	3.3
207.13786	2.5
209.11816	56.3
210.12062	4.4
211.13380	57.3
212.13730	3.4
213.12971	1.0
213.14911	1.4
215.14384	12.0
221.15436	2.5
227.12975	1.5
231.13887	2.7
233.15454	41.5
234.15802	2.3
235.08221	9.9
235.13361	1.8
239.16306	0.9
249.14943	19.8
250.15375	1.6
251.16458	1.9
253.09273	6.5
265.18048	1.0
313.25110	1.0
320.61539	0.9
331.26465	3.6
341.24728	4.6
342.25342	0.9
347.12717	1.2
359.26004	2.8
363.12088	4.0
365.13547	1.5
367.22711	3.7
375.25244	5.3
376.25928	1.6
379.15137	2.9
381.12976	1.4
385.23795	31.4
386.24353	3.9
393.26462	2.7
395.15070	1.7
397.16235	1.4
403.24881	39.6
404.25156	5.4
421.25900	11.9
427.24783	0.9
447.22626	0.9
477.28101	1.5
485.23752	2.2
575.26154	6.2
603.25879	1.1
607.28809	7.1
608.30084	0.9
611.34198	2.0
621.32764	100.0
622.33130	17.6
639.33685	42.5
640.33801	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	639.1358
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
59.01371	3.0
61.98818	1.7
63.02380	0.8
65.00326	1.4
65.99976	0.5
69.20132	5.2
73.68575	0.8
83.01382	0.9
85.02957	0.7
88.98797	1.3
89.02438	1.1
96.96012	1.1
99.92556	1.7
101.02427	0.6
107.01381	4.3
108.02188	1.9
109.02966	0.8
113.02425	0.6
116.92860	15.4
117.92898	0.7
121.02943	1.2
123.04492	0.6
124.01620	1.0
125.02442	2.1
135.00880	1.2
140.01103	0.7
148.01677	1.6
151.00369	12.0
152.00945	0.6
153.01874	0.6
160.01610	1.3
161.02409	2.0
163.00363	2.0
165.01898	0.7
169.01442	2.6
171.04453	0.8
175.03990	1.5
178.99854	5.1
183.02998	7.1
183.04533	1.2
190.99854	0.7
199.03986	1.6
201.05611	0.9
203.03394	0.5
211.04053	1.3
215.03568	1.3
216.04311	0.8
226.02786	1.7
227.03436	4.3
228.04025	0.7
229.04990	1.4
243.02972	12.5
244.03438	1.4
245.04373	0.8
254.02100	3.3
255.02975	29.3
256.03384	2.2
271.02460	63.7
272.02921	5.9
273.04010	1.5
283.02328	0.9
299.01877	2.4
300.02737	100.0
301.03445	38.2
302.03860	2.1
314.04333	0.7
315.05084	3.2
323.07730	2.0
335.04010	2.6
343.04214	0.7
401.87515	0.6
459.27582	0.6
463.08807	44.8
464.08994	5.4
477.10425	3.2
564.45905	0.7
624.12488	0.7
639.13550	53.8
639.25128	1.8
639.35730	1.1
640.13696	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	639.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63635	0.2
61.88778	0.2
61.98846	0.2
69.28737	1.2
69.29170	0.5
73.22562	0.2
76.79503	0.2
85.13538	0.2
88.98793	0.2
90.43857	0.2
93.16819	0.2
98.20620	0.3
107.01382	0.2
111.00881	0.9
116.92844	0.7
123.00898	0.2
124.01607	1.1
127.00394	0.5
134.22032	0.2
136.98801	0.6
139.00378	1.0
139.53677	0.2
140.01160	1.6
151.00375	0.7
154.39999	0.2
168.00644	4.4
169.01392	0.2
183.02974	100.0
184.03308	3.2
223.23250	0.2
301.03510	0.6
303.01523	0.7
303.70520	0.2
335.04065	43.0
336.04358	3.2
455.02664	0.3
487.05206	1.0
605.02374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.2
61.98820	1.0
64.84474	0.7
71.50895	0.8
71.51357	1.2
81.22775	0.8
85.02959	0.7
89.02448	1.3
93.03480	1.2
96.96005	1.0
101.02447	1.1
107.01374	0.8
109.02940	0.8
111.00928	0.7
119.05003	1.2
119.67819	0.7
123.00871	1.7
125.02454	10.8
155.78625	0.9
163.03992	1.7
168.00650	0.9
169.01442	15.8
170.96292	0.9
190.19783	0.8
191.05615	4.0
192.05984	0.9
202.02754	0.9
205.83937	0.8
211.02458	3.3
257.00900	2.8
269.98090	5.1
270.98849	10.8
271.04608	2.1
271.99283	1.1
283.99646	1.9
285.00470	9.6
286.01004	2.3
297.00461	1.4
297.97562	8.8
298.98349	17.2
299.99091	21.5
300.99811	4.7
311.99063	1.4
312.99924	28.4
313.05447	3.6
314.00690	12.1
315.01450	21.5
327.01483	1.5
343.00790	0.9
351.40222	0.8
441.18179	0.9
461.03555	3.0
462.04282	3.0
463.05103	0.9
465.06708	8.5
473.67474	0.8
476.05917	4.9
477.06448	26.0
478.07074	3.0
482.07199	1.1
483.07620	1.2
487.10486	0.9
568.18054	0.9
639.12030	100.0
640.12335	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	637.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56548	0.8
54.41779	0.7
59.01390	5.3
61.98810	2.2
70.91824	1.6
78.95905	100.0
96.96954	7.1
114.46156	0.9
115.91647	0.8
125.09708	0.8
152.99588	49.3
153.99905	1.1
163.11270	1.1
171.00645	1.3
171.10323	1.0
201.09505	1.8
201.11295	14.8
209.11832	19.2
227.12900	2.8
245.13971	1.0
255.23297	74.1
256.23660	7.7
263.38568	1.0
363.12222	5.0
381.13052	7.3
391.22516	16.2
392.22794	1.5
409.23636	7.3
413.28238	1.0
449.16382	1.0
578.19934	1.0
593.34357	4.2
619.36096	29.0
620.36401	4.0
637.37219	41.0
638.37378	6.8
666.11359	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01613	0.4
61.98830	100.0
71.49785	0.5
71.50217	0.4
77.44707	0.4
78.95909	4.8
94.76241	0.4
96.96974	0.5
152.99568	3.5
171.10295	4.1
172.10631	2.5
253.21837	0.7
254.22162	1.1
255.23369	1.0
256.23746	1.1
361.11060	0.5
392.23242	0.5
399.14227	2.0
400.14600	2.2
618.35236	0.6
636.36133	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	636.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07530	0.7
58.01203	0.7
60.40659	0.7
61.04201	0.7
61.34874	0.8
61.98829	100.0
69.03500	0.7
69.54325	3.0
69.54741	2.2
78.95905	7.7
96.96947	1.2
99.95430	0.9
114.43058	0.8
152.99600	5.5
153.99928	1.0
171.10258	10.7
172.10602	4.2
190.01695	0.8
253.21681	1.7
254.22014	1.3
255.23363	3.3
256.23596	2.2
315.42596	0.9
399.14264	8.0
400.14688	5.1
515.06152	1.0
636.36298	3.8
637.36469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77008	0.6
55.01866	1.1
57.03443	1.9
59.01377	14.2
61.98833	3.7
64.84084	0.6
65.03947	1.8
68.99837	0.7
69.03443	2.5
69.54288	0.6
71.01011	0.9
71.01383	14.7
71.50249	0.7
72.99287	1.3
73.02939	2.9
81.03444	1.5
83.01357	2.0
83.05011	1.2
85.02952	3.4
87.00871	5.1
89.02439	5.1
89.62753	0.5
91.05505	2.0
93.03431	1.6
95.01370	1.5
95.05037	1.5
97.02938	1.1
97.06586	3.2
99.00884	1.0
101.02440	8.0
106.04244	0.6
106.07358	0.6
107.05062	1.2
107.71509	0.5
109.06557	1.5
111.00866	0.6
111.08176	1.0
113.02459	5.3
115.05518	2.4
119.03475	1.1
119.05000	1.1
121.02911	0.5
121.06625	0.7
123.08150	1.2
125.02400	1.6
125.09728	10.0
135.08159	1.7
143.03557	0.6
145.05058	2.4
149.09642	0.6
161.04526	2.3
161.05777	0.7
163.11255	1.2
165.12827	0.9
169.01433	0.5
171.10219	4.9
185.11807	3.3
185.13263	1.3
187.09711	2.1
187.14909	4.6
195.11832	1.4
201.12816	0.9
203.14380	1.5
205.12328	1.1
207.10248	0.9
209.11818	14.4
211.11516	0.7
211.13380	1.6
213.12888	5.5
215.10739	1.2
221.15425	1.7
229.12399	0.7
231.13882	13.3
233.11819	1.6
235.08208	4.0
235.13307	1.0
247.13333	2.6
249.14879	3.2
253.09309	1.3
261.15009	0.8
263.16510	0.7
321.22232	0.9
329.24805	1.8
337.21768	0.9
339.23108	3.7
343.78806	0.6
355.22812	1.6
357.24350	2.7
365.21173	1.8
373.23718	4.4
383.22275	16.8
384.22742	1.6
391.24927	2.6
401.23300	19.9
402.23688	2.2
419.24237	6.9
445.21024	0.8
475.26767	1.0
493.28287	0.8
505.92514	0.7
567.28082	0.7
609.32825	2.5
619.31201	100.0
620.31598	17.2
637.32269	34.7
638.32452	5.4
648.19946	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48726	0.4
54.12170	0.4
54.37528	0.4
58.98095	0.4
59.01381	100.0
60.01725	0.6
61.98821	0.6
63.92307	0.5
71.01385	2.2
74.94434	0.4
76.18144	0.5
78.95882	0.5
89.02442	3.7
101.02466	1.6
113.02484	1.3
119.03506	1.1
146.80997	0.5
154.03171	0.4
157.81352	0.5
167.41057	0.4
178.46092	0.4
179.05614	0.9
205.03175	0.5
355.43518	0.4
492.57465	0.5
512.24365	0.4
635.35687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97684	0.9
58.02977	10.6
69.43194	6.6
70.02988	3.8
71.26073	1.1
72.00912	4.3
91.05547	5.4
106.67924	0.9
107.01410	1.2
123.00894	1.4
125.02455	14.5
126.02781	3.1
139.00299	1.7
147.04524	21.9
164.07172	54.6
165.07535	2.7
168.00577	2.4
169.01416	17.6
170.01813	5.8
206.08220	100.0
207.08630	5.8
211.02521	4.8
212.02896	1.8
271.04626	3.9
272.04883	2.5
279.19345	1.2
313.05670	1.2
314.06210	1.8
321.66730	1.0
357.12216	1.2
451.06366	1.0
483.07758	3.7
484.08154	13.7
636.09204	18.0
637.09265	2.3
643.94269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56002	0.8
61.98833	9.7
78.95911	30.0
96.96964	2.9
102.16852	0.7
125.09730	2.3
127.11297	2.3
152.99600	33.8
171.00639	2.6
171.10275	100.0
172.10611	3.9
194.12560	0.9
215.05980	0.9
227.03267	3.6
245.04367	1.5
253.21732	20.7
254.22005	1.1
255.23262	5.2
289.12686	0.8
307.09549	3.3
309.12476	0.8
381.13324	1.6
391.22650	0.9
399.14252	86.8
400.14447	5.0
483.27322	2.5
617.34692	1.1
635.35608	21.9
636.36035	3.0
649.44525	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15809	0.6
69.83703	2.1
69.84112	0.9
78.95905	23.4
88.03185	0.5
96.96962	2.9
122.01106	0.6
125.09729	0.9
127.11291	1.3
152.99583	32.5
153.99893	0.6
161.03925	0.6
165.64003	0.8
171.00653	2.9
171.10265	100.0
172.10643	4.4
175.63902	0.6
227.03218	4.1
245.04282	0.7
253.21718	22.2
254.22064	1.4
255.23318	4.2
307.09521	2.4
381.13098	1.8
399.14227	82.1
400.14612	4.9
460.84341	0.6
483.27286	1.6
635.35547	19.9
636.35754	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	635.251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39736	0.9
61.98827	3.3
63.48699	1.1
67.12648	1.1
71.49854	1.7
78.95907	46.6
80.45895	1.3
90.48180	1.3
93.96625	1.0
96.96969	3.4
99.00835	1.1
103.96537	1.1
106.53637	1.1
125.02513	1.7
152.99590	20.2
171.10286	3.1
207.10231	1.7
225.11296	3.5
243.12350	1.3
255.23283	31.2
256.23682	1.6
270.51636	1.3
379.11710	4.3
391.22559	6.5
399.14270	1.5
409.23697	5.1
415.15894	1.3
419.18845	1.4
430.14468	1.8
431.19077	3.9
433.20108	1.8
445.16458	1.9
458.17487	2.9
459.13931	1.8
473.15594	2.6
473.20584	2.4
474.16656	7.9
475.17487	3.1
487.17819	1.6
488.18481	7.2
489.19357	4.3
490.20258	5.0
501.19669	2.0
505.22296	5.5
529.18982	1.8
531.20569	1.6
549.21893	3.0
559.24097	1.3
560.21149	1.7
575.22955	15.0
576.23578	9.0
591.33453	1.7
603.22644	2.2
617.34552	3.3
635.25256	100.0
635.35590	13.6
636.25403	14.9
636.35114	2.1
639.57629	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.2
57.03451	3.5
59.01381	100.0
61.98811	3.2
67.01909	2.0
69.03442	3.1
71.01382	61.5
71.52136	2.0
72.99310	4.1
73.02936	14.2
73.04312	1.7
83.01379	5.8
85.02952	27.6
87.00853	5.4
89.02442	32.9
93.03530	1.7
95.01373	10.4
96.96025	12.2
97.02943	2.5
99.00869	5.7
99.04538	1.8
101.02442	40.3
104.89651	1.8
107.01401	10.9
109.94287	2.3
111.00887	2.4
113.02448	41.6
114.93413	3.1
116.92849	2.2
119.03528	11.7
120.04119	1.8
123.00871	13.3
124.01681	4.8
125.02445	80.9
126.02830	2.7
131.03485	3.8
137.09657	1.8
139.00374	4.5
139.03944	1.7
140.01181	3.1
141.01901	3.9
143.03473	5.4
149.04572	4.9
149.99567	3.5
151.00340	5.3
153.01945	2.0
159.02895	2.9
161.04558	7.5
162.29153	1.7
165.01920	3.8
165.05576	3.5
166.99823	2.6
167.03491	2.0
168.00671	12.2
169.01421	89.2
170.01785	5.2
177.01857	2.1
179.05554	3.0
180.04323	2.3
191.05602	3.0
193.01357	6.3
195.06644	4.1
207.13890	5.3
211.02466	16.4
215.20692	1.8
225.14952	20.0
237.71822	1.8
263.18985	1.8
271.04684	9.0
295.04611	3.5
297.05997	3.2
300.99808	6.2
302.00153	4.7
303.00385	4.0
313.05701	23.8
331.06744	12.0
369.19147	92.9
370.19592	5.7
387.20197	77.9
388.20502	6.2
428.19800	1.9
429.21246	30.6
430.21774	3.0
465.06708	80.1
466.06924	10.0
483.07437	36.4
484.07986	4.3
531.24451	52.0
532.24603	7.8
549.25555	21.5
550.26544	2.7
575.26978	2.8
591.26904	4.9
593.27588	3.6
635.08649	29.1
635.18707	3.4
636.09271	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	635.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
59.01379	2.7
60.65635	0.3
61.98816	1.3
65.00290	0.3
67.01865	0.4
68.99789	0.5
70.84002	0.4
70.84328	0.5
71.01382	2.3
72.99303	0.6
73.02930	0.4
78.95897	0.9
79.01875	0.9
79.95731	0.7
81.03452	0.3
83.01393	0.6
85.02950	1.1
89.02435	1.1
94.56889	0.3
95.01398	1.7
96.96013	20.0
96.96981	0.8
97.02927	0.4
101.02433	1.8
107.01390	3.3
111.00882	2.5
113.02449	0.6
123.00000	0.6
123.00890	11.6
124.01698	0.9
124.10005	0.3
125.02450	15.4
127.00334	0.5
136.98805	1.7
137.02368	0.5
139.00392	4.6
139.53192	0.3
140.01141	2.7
141.01927	0.9
151.00380	7.2
151.04048	0.6
153.01956	0.8
168.00644	4.0
169.01421	22.5
170.01788	0.6
177.04002	2.0
193.80817	0.3
211.02496	2.0
255.02933	0.6
271.04639	2.8
284.03311	1.1
285.03989	1.8
301.00113	0.4
312.75476	0.3
313.05609	2.3
329.05066	0.9
339.35571	0.5
345.40308	0.3
465.06525	1.6
483.18710	100.0
484.19086	11.8
599.10797	1.0
635.08215	0.6
635.19299	2.0
636.35968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0883
Annotation	1-O,2-O,6-O-Trigalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.52893	0.9
55.12737	0.7
57.03431	0.9
59.01381	2.4
63.01385	0.8
66.47430	0.6
67.01891	1.3
69.03465	1.5
69.85593	3.1
69.85950	1.3
71.01385	3.7
72.99310	0.7
79.01900	1.0
83.01382	0.9
85.02950	3.2
95.01389	2.9
97.02952	1.3
101.02452	2.3
107.01390	10.0
111.00886	2.2
113.02454	4.0
123.00877	11.3
124.01684	2.0
125.02446	68.4
126.02796	2.3
136.98793	1.5
137.02449	1.5
139.00395	4.2
139.04021	0.9
140.01167	3.9
143.03456	1.1
149.02455	1.6
151.00392	7.8
161.02396	1.1
165.01991	0.8
166.99866	2.8
167.03500	1.4
168.00638	6.9
169.01419	98.1
170.01768	2.9
179.03497	2.7
193.01408	5.2
203.03673	0.9
207.02899	0.7
211.02483	11.0
223.02577	1.6
235.02502	1.7
241.03456	1.1
246.71718	0.7
253.03589	1.8
271.04681	3.7
295.04541	4.6
297.06198	3.0
313.05643	26.7
314.05969	2.0
331.06708	10.6
332.07300	0.7
350.70706	0.9
421.07938	0.8
423.05508	1.5
437.09665	0.7
465.06711	100.0
466.06976	10.4
483.01166	1.2
483.07797	15.7
484.08151	1.6
608.88599	0.9
635.08685	17.5
636.08960	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	635.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66388	0.7
69.03471	1.2
71.01382	1.6
79.01888	0.8
83.01393	0.8
85.02938	1.7
89.64613	0.9
90.06849	0.8
90.42223	0.7
95.01378	2.3
97.02895	1.9
98.19927	2.1
101.02470	1.7
107.01402	8.6
111.00892	1.3
113.02440	1.9
123.00864	6.7
124.01691	2.2
125.02450	78.5
126.02734	2.0
127.00415	1.2
131.78781	0.9
137.02451	1.5
139.00403	1.9
140.01134	2.5
149.02438	0.8
151.00317	3.9
153.01895	1.0
165.01952	0.9
168.00632	7.1
169.01421	100.0
170.01715	2.7
174.37935	0.8
177.01910	1.0
181.01421	1.8
183.02914	1.3
193.01425	6.5
207.02962	1.2
211.02478	12.3
223.02275	1.0
235.02402	1.9
241.03484	1.9
271.04581	7.5
283.25555	0.8
295.04742	4.7
297.05850	0.9
300.99911	2.6
302.00208	2.3
303.00409	2.6
313.05591	11.6
314.05954	1.2
331.06815	4.1
402.25485	0.8
405.04858	0.8
423.05652	5.2
441.65573	0.8
465.06723	31.6
466.07040	2.0
483.07727	20.1
484.07907	2.0
635.08795	68.2
636.09143	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	635.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30729	0.7
54.66991	0.6
59.01389	1.5
69.46088	5.1
71.01401	3.3
73.02941	0.7
81.03465	0.8
83.01380	1.0
85.02941	1.2
86.89762	0.7
89.02421	1.0
95.01378	0.9
97.02934	1.0
100.29111	0.7
101.02449	1.3
107.01396	7.6
110.86897	0.7
111.00879	1.9
113.02472	1.5
116.92862	3.0
123.00868	7.1
124.01672	1.8
125.02441	61.7
126.02769	1.4
134.70811	0.7
136.98790	1.0
137.02397	0.7
139.00349	3.1
140.01198	3.3
141.01869	0.8
147.04539	1.0
149.02429	0.8
151.00351	4.4
164.07219	0.7
165.01849	0.8
167.03432	1.4
168.00623	8.7
169.01416	95.0
170.01749	3.0
181.01405	1.1
183.02974	0.8
193.01433	2.4
206.08145	1.3
211.00432	1.6
211.02460	31.2
212.02837	0.9
221.04517	1.6
223.02577	0.8
235.02493	1.1
241.03482	2.7
271.04568	42.0
272.05002	1.8
295.04666	1.4
300.99789	1.2
303.00433	0.8
304.04858	0.6
313.05618	17.3
314.06003	1.4
331.06580	4.3
379.25058	0.8
391.32117	0.7
423.05698	3.5
464.45599	0.7
465.06708	17.2
466.06900	1.1
483.07773	100.0
484.08154	9.9
554.10614	0.8
635.08777	33.4
636.09082	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	635.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84579	0.7
59.01390	1.1
65.00302	0.8
69.03450	1.2
69.35294	3.8
69.35724	2.9
71.01382	2.6
74.80035	0.8
74.84579	0.8
83.01399	1.8
85.02950	3.1
95.01395	2.8
97.02966	1.6
101.02441	2.8
107.01393	7.4
111.00849	2.3
113.02450	3.9
123.00881	10.4
124.01671	1.8
125.02453	68.6
126.02779	2.3
137.02423	1.2
139.00365	4.8
140.01108	2.5
141.01949	0.9
149.02362	1.1
151.00374	7.0
161.02460	1.3
165.01941	1.4
166.99820	2.6
168.00677	5.8
169.01430	100.0
170.01756	3.1
177.01933	1.0
179.03471	3.3
183.02995	1.1
191.03499	1.7
193.01387	3.5
203.03654	1.0
207.03030	1.1
211.02478	8.4
212.02977	0.8
221.04507	1.0
222.46037	0.7
235.02406	1.7
253.03635	1.1
271.04584	6.2
295.04590	4.0
300.99924	3.5
302.00259	2.9
303.00351	2.7
313.05661	29.6
314.06006	1.0
328.85547	0.8
331.06732	1.7
421.07748	3.4
465.06738	60.8
466.07166	5.4
483.07880	17.2
484.08118	1.3
635.08759	34.1
636.08746	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	635.0889
Annotation	1-O,2-O,6-O-Trigalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01379	1.5
67.01878	1.0
69.03429	1.3
71.01379	2.6
79.01852	1.3
81.03416	1.1
85.02950	1.9
95.01365	1.5
97.02933	2.3
98.20756	1.9
101.02415	1.6
107.01395	7.4
113.02457	1.8
113.87260	0.9
116.04642	0.9
117.62029	0.9
123.00893	8.3
124.01684	1.2
125.02446	74.7
126.02781	1.3
131.95587	1.0
133.96820	0.9
136.98816	1.1
137.02402	1.4
139.00359	3.2
140.01157	2.9
141.01884	1.6
143.03487	1.5
151.00395	5.3
165.01857	1.2
166.99780	2.0
168.00618	7.5
169.01414	100.0
170.01744	2.6
180.51392	1.1
181.01395	2.2
183.02992	0.9
191.03450	1.1
193.01413	5.1
211.02484	18.0
223.02473	1.3
241.03532	1.6
245.01099	1.2
271.04526	7.8
275.02094	1.0
295.04691	5.4
300.99924	5.1
302.00125	3.1
303.00320	3.0
313.05600	12.3
314.06082	1.5
331.06668	6.6
406.65164	1.1
423.05606	4.4
431.92340	1.1
465.06717	29.4
466.07062	2.9
483.07849	22.9
484.08237	2.7
635.08783	60.0
636.09229	8.8
655.38550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0893
Annotation	Gallotannin
Peak:m/z	Relative Intensity
59.01377	2.2
69.03452	1.8
69.29137	7.0
71.01389	2.3
79.01869	0.9
83.01389	0.9
85.02972	1.0
89.02441	1.4
95.01396	2.8
96.38419	0.9
97.02943	0.9
101.02424	1.5
107.01405	9.0
111.00845	1.4
113.02443	2.0
116.92844	2.2
123.00892	8.3
124.01737	1.8
125.02456	68.6
126.02773	1.2
127.00367	0.9
128.59322	0.8
131.46252	1.0
136.98839	0.8
137.02420	1.0
139.00372	4.3
140.01111	2.0
141.01929	1.1
143.03560	0.8
151.00377	4.1
165.01950	1.0
166.99838	1.0
167.03494	1.0
168.00630	8.6
169.01427	100.0
170.01790	3.1
193.01376	4.2
193.49651	0.8
207.02924	1.2
211.02481	28.0
221.04570	1.4
235.02652	0.9
241.03539	3.5
261.96063	0.9
271.04605	31.9
272.04889	1.4
295.04590	2.7
297.06006	1.4
300.99881	2.1
301.03098	0.8
302.00275	1.9
303.00235	1.5
313.05667	22.2
331.06760	3.6
423.05746	1.9
465.06747	33.6
466.07074	3.7
483.07806	83.2
484.08157	7.1
509.48495	0.9
635.08813	37.9
636.09070	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	634.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05970	0.5
61.98830	100.0
66.95374	0.6
69.11704	3.9
69.12128	1.4
78.95896	7.0
96.29003	0.4
96.96946	0.8
121.14784	0.5
130.06450	0.5
152.99574	6.0
171.10269	11.8
227.03195	0.7
253.21721	2.6
255.23242	3.3
391.22192	0.7
399.14172	9.5
495.32007	0.5
572.50464	0.6
635.35999	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	635.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.1
63.02397	1.3
71.01383	0.9
74.11150	0.6
83.01385	1.1
83.58723	0.6
87.56152	0.6
93.03431	1.4
96.58712	0.6
96.96030	2.0
100.17520	0.7
101.02442	0.6
105.33910	0.7
107.01392	4.2
108.56390	0.6
113.02457	0.7
113.99405	0.7
118.08312	0.7
119.58743	0.7
123.00907	3.2
125.02432	3.7
135.00914	0.8
139.00365	1.0
143.04999	0.7
151.00366	9.1
154.04179	0.7
159.04539	1.0
163.00368	1.6
168.00626	0.9
169.01416	7.5
169.06580	0.7
185.06087	2.3
187.03979	2.2
189.05461	0.7
197.06082	0.8
198.60583	0.7
211.02251	0.9
213.05489	1.9
227.03419	1.4
229.05048	8.3
239.03494	1.8
241.05019	0.8
257.04630	6.6
266.39664	0.8
267.02866	0.9
285.04034	100.0
286.04453	6.6
308.82660	0.7
313.02255	1.2
313.05634	15.8
314.06058	1.2
450.24377	0.9
483.18719	17.5
498.69214	0.7
501.27246	0.7
599.10327	7.5
600.10883	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0888
Annotation	Gallotannin
Peak:m/z	Relative Intensity
51.86423	0.7
57.00616	0.7
59.01381	8.2
63.48166	0.6
66.80113	0.7
68.35312	0.7
69.03445	1.5
69.60819	4.3
71.01385	5.0
72.99323	0.8
73.02956	1.0
79.01873	1.1
81.03455	0.8
83.01376	1.4
83.17602	0.7
85.02956	1.8
87.22699	0.7
89.02465	3.7
91.55975	0.8
95.01373	1.7
96.96011	5.1
96.96963	0.7
97.02956	0.9
100.00618	0.7
101.02447	3.6
104.48726	0.8
107.01379	5.2
111.00869	1.4
113.02439	3.1
116.92823	1.1
119.03489	1.5
123.00880	8.3
124.01682	9.6
125.02450	63.5
126.02795	2.1
135.04468	0.7
137.02373	1.6
139.00346	2.3
140.01115	1.8
149.02431	0.8
149.04504	0.9
149.99585	14.0
151.00395	4.9
151.03856	0.7
153.01953	0.7
155.03661	0.7
165.01952	1.1
167.03485	1.2
167.99205	1.5
168.00648	36.1
169.01424	46.7
170.01787	2.0
179.03601	0.8
193.01387	2.2
194.99384	1.4
211.02502	7.4
225.14958	0.7
241.03593	0.8
253.03476	1.2
271.04611	5.3
297.06036	1.3
298.54596	0.9
300.99951	1.4
313.05655	16.2
314.06015	1.5
331.06693	37.4
332.06955	1.7
369.19202	3.1
387.20273	2.5
439.08606	5.0
465.06723	18.6
466.06863	1.8
483.07773	100.0
484.08185	10.6
531.24384	1.9
635.08716	21.7
636.09277	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	633.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	5.0
58.64999	0.8
59.01374	9.4
61.98829	20.0
69.31963	6.9
70.18394	1.0
71.01383	7.6
73.02940	2.9
83.01364	1.2
83.05022	2.7
85.02952	2.6
87.00893	2.2
88.98828	1.7
89.02434	4.9
93.03496	1.4
95.01372	1.1
95.05015	2.6
96.96009	2.7
97.02949	1.2
97.06591	13.9
98.19888	1.7
99.00876	1.5
101.02443	6.5
107.01391	1.4
111.00887	1.4
112.98609	1.4
113.02425	2.9
119.03481	1.2
120.39876	1.0
123.00871	2.3
123.04542	1.0
123.08162	8.1
124.12778	0.9
125.02435	6.1
125.09721	92.6
126.10069	3.8
139.00386	0.8
142.66187	1.0
143.10773	1.6
151.00432	2.1
161.04533	2.1
163.11285	3.7
169.01419	6.5
169.08673	2.3
171.10268	24.6
181.12280	1.7
187.09753	60.3
188.10104	2.9
191.10744	1.3
199.13358	1.1
201.11322	4.1
207.10265	3.7
209.11818	49.6
210.12152	2.3
211.02345	1.8
212.85240	1.1
225.11311	8.0
227.12900	5.9
235.08167	2.1
243.12442	1.4
246.98924	1.1
253.09261	6.4
275.02014	2.3
300.99847	13.2
379.56992	1.0
383.01733	1.0
405.17526	5.9
423.18744	14.0
445.20801	1.1
445.52939	1.1
471.25946	2.3
488.77090	1.2
527.83270	1.2
540.59955	1.2
615.30188	8.7
616.30206	1.3
633.08246	8.4
633.31244	100.0
634.07471	1.4
634.31586	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	633.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81351	0.7
60.12625	0.6
78.95905	22.7
80.02686	2.3
81.03467	2.2
82.79144	0.8
83.05025	7.2
84.02158	1.2
89.09978	0.6
89.18427	0.7
95.05018	1.0
109.06561	0.8
110.98533	18.9
132.17747	0.7
135.08159	1.4
152.99577	2.0
153.12825	0.8
163.11310	7.3
165.12854	3.9
167.01135	9.2
181.12244	1.9
185.02206	0.9
191.10797	1.7
194.77669	0.7
197.11853	2.9
199.13391	5.7
201.14948	1.2
207.10339	1.3
208.10657	1.1
209.11826	100.0
210.12172	3.6
215.33057	0.7
225.11249	1.6
226.11649	1.3
227.12892	39.1
228.13182	2.0
255.23285	89.9
256.23697	6.5
319.39993	0.8
326.04330	0.8
342.36679	0.8
377.13654	2.0
395.14456	1.4
397.16248	3.1
405.24164	1.7
423.25241	10.0
424.25781	1.0
443.02505	0.7
454.98624	0.7
520.95740	0.7
614.85492	0.7
633.37695	51.2
634.38000	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	633.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51634	0.6
61.76244	0.6
63.96191	0.7
69.60789	4.7
70.50303	0.7
70.51836	0.7
71.01363	0.9
95.01396	1.4
98.19965	1.3
100.94163	0.8
102.89646	0.7
108.05091	0.7
117.03468	1.2
123.00864	2.8
125.02438	6.1
129.03412	0.7
145.02901	2.7
147.04507	1.0
157.02904	1.3
159.04495	1.0
161.02417	1.2
161.20726	0.7
163.04025	1.0
169.01462	6.8
173.02434	3.1
177.01909	0.9
181.43127	0.7
185.02426	3.8
189.01950	2.5
191.03453	0.8
201.01918	4.1
203.03552	3.7
213.01987	1.2
217.01454	2.0
219.02971	0.9
229.01393	7.7
229.05333	0.9
231.02963	2.0
241.05029	1.0
245.00925	6.8
247.02402	0.8
248.03532	0.7
249.03987	1.8
256.49789	0.8
257.00934	5.9
258.01663	2.2
259.02374	1.1
271.09869	0.9
273.00443	6.7
273.03165	1.0
274.01068	2.8
275.01987	16.0
283.99692	3.4
285.00436	0.9
299.99127	3.5
300.99899	100.0
302.00296	6.4
313.06012	1.0
329.03082	1.4
408.49677	0.8
419.06369	1.1
437.07178	1.1
463.04974	6.0
633.07483	59.8
633.18115	6.7
634.07874	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	633.0729
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
52.07302	0.6
57.05359	0.6
95.01427	0.8
117.03433	0.7
123.00892	2.7
124.01682	0.8
125.02462	4.4
129.03464	1.3
133.03046	0.7
145.02977	3.4
147.04576	1.6
148.04808	0.7
157.02963	1.5
158.03764	0.7
159.04503	1.2
159.46124	0.7
161.02446	1.7
163.04005	0.9
169.01389	2.2
173.02438	5.7
175.04066	2.0
177.01895	1.3
185.02441	5.4
189.01917	2.9
189.56010	0.7
191.03522	1.9
201.01923	6.1
203.03528	4.9
213.01854	0.9
217.01410	3.2
219.02946	1.0
227.00046	0.7
229.01414	11.0
229.77893	0.7
230.01996	1.2
231.02972	2.9
243.02922	0.8
245.00920	8.2
247.02414	2.5
249.04045	1.6
257.00919	8.1
258.01556	2.7
259.02252	0.8
273.00397	5.2
274.01019	3.5
275.01959	14.3
275.04980	0.8
283.99615	3.9
285.00021	1.0
286.00970	0.7
287.02103	0.9
291.01465	0.7
299.99127	3.9
300.99881	100.0
302.00192	7.7
329.02795	0.9
419.05826	1.5
463.05173	6.7
464.05582	0.7
633.07281	72.0
634.07672	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	630.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02539	0.9
59.01380	2.6
59.73202	0.9
61.98829	22.5
69.03436	1.2
69.89341	4.5
71.01379	3.4
73.02944	1.7
79.01884	1.1
83.46810	0.9
85.02946	1.8
85.40852	0.9
89.02439	1.1
95.01358	1.8
96.96021	2.5
97.02936	1.2
101.02441	2.2
101.19914	0.9
103.64835	0.9
107.01360	3.1
111.00906	2.2
123.00874	9.9
124.01640	1.2
125.02438	17.9
136.98810	1.3
139.00381	5.5
140.01135	3.9
151.00363	8.4
153.01851	1.2
168.00632	6.4
169.01407	24.0
177.04004	2.2
182.02263	1.3
201.44954	1.0
211.02432	4.6
265.14044	1.1
271.04471	2.1
285.04007	1.3
288.68637	1.1
316.05487	1.9
485.16483	1.3
495.18356	2.9
567.24402	100.0
568.24713	14.4
630.32513	1.7
631.32843	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61670	0.5
58.00600	0.9
59.01382	21.8
61.98832	9.9
67.01889	0.8
71.00996	0.8
71.01370	12.5
72.99343	1.5
79.01889	0.9
83.01395	1.3
85.02970	3.1
87.00883	1.0
88.98801	1.3
89.02454	10.3
95.01382	1.8
96.96046	3.5
99.00914	1.4
101.02451	7.7
106.06633	3.4
107.01433	1.6
108.96178	0.6
111.00874	1.1
113.02449	4.3
119.03493	2.0
122.06142	0.8
123.00922	5.3
125.02450	7.7
127.00428	0.5
134.06126	19.2
138.04553	0.7
139.00374	2.3
140.01180	1.1
143.01254	0.6
147.09761	0.6
151.00369	3.8
152.07149	2.1
153.57919	0.7
156.08231	0.8
156.95459	0.6
162.05582	2.9
167.25517	0.6
168.00690	1.1
169.01416	8.6
171.10201	1.3
174.01964	3.1
185.11824	2.5
188.07158	2.2
201.07867	0.7
201.11279	2.4
209.11800	4.1
210.12178	1.8
211.02646	1.4
211.13370	1.6
216.10286	11.8
217.10950	0.7
228.10233	1.0
236.03387	0.7
260.09305	0.9
260.09824	1.0
260.12930	11.7
271.04581	1.6
293.09338	0.8
299.01999	1.4
304.11865	1.3
305.05359	0.8
309.12396	0.8
314.12292	1.4
315.04901	0.8
316.05063	1.0
321.05396	0.7
321.08652	3.5
335.13831	0.8
352.10757	1.0
353.11328	0.7
379.20239	1.0
407.20062	3.7
451.18820	4.8
473.14697	0.7
478.10660	1.1
479.10889	2.4
501.15201	3.8
568.24695	2.6
569.25793	2.7
587.23212	2.4
603.25482	0.9
631.25012	100.0
631.33661	20.8
632.25104	13.8
632.34039	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	630.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98829	38.9
67.56744	0.7
69.28595	2.5
69.29023	2.7
93.03475	3.5
107.01400	2.6
123.00863	0.9
125.02433	2.5
135.00975	0.9
137.02472	4.7
151.00381	4.7
157.06496	0.8
163.00339	2.0
168.00671	1.6
169.01430	2.7
185.06018	1.5
187.04008	1.4
190.38164	0.8
211.04050	0.9
213.05482	1.1
227.03487	22.4
228.03842	2.2
229.05064	4.5
239.03441	0.9
241.04874	1.1
255.02963	39.8
256.03656	7.2
257.04507	2.7
281.06567	1.3
284.03250	62.7
285.04004	49.3
286.04382	2.4
340.16653	1.0
355.08652	0.7
567.11420	100.0
567.24091	7.3
568.11737	13.1
606.15808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16578	1.3
61.98831	48.9
71.28294	2.6
73.71983	1.2
93.03486	3.6
107.01366	2.4
112.89982	1.2
125.02435	5.9
132.02188	1.3
137.02451	4.6
151.00380	3.5
163.00328	1.4
165.01852	1.5
169.01477	6.9
194.05956	1.3
227.03468	23.2
255.02980	44.3
256.03696	5.6
257.04279	1.9
271.02493	2.2
272.02689	1.7
284.03256	77.2
285.03931	22.3
286.04358	2.1
298.48526	1.3
299.02014	7.9
300.02332	7.0
314.04312	5.7
315.04831	9.0
316.05356	4.3
477.10767	2.2
478.10645	6.5
567.11499	100.0
567.24933	4.2
568.11719	16.6
630.11835	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	630.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.9
61.98536	1.3
61.98829	19.9
63.77028	0.8
65.00323	1.1
67.01878	1.3
69.01962	0.8
69.38298	7.3
71.01363	3.6
72.99289	0.9
75.98625	0.8
83.01320	1.1
88.98797	0.9
89.02416	2.1
89.91691	0.9
95.01368	1.4
96.96000	4.2
97.02961	1.7
101.02397	1.4
107.01387	3.7
111.00872	2.3
113.02414	0.9
118.52753	1.1
121.02934	2.1
123.00888	10.6
124.01665	1.0
125.02448	15.7
126.02753	1.0
136.98798	1.8
139.00401	4.9
140.01196	4.3
141.01927	1.5
151.00362	7.7
153.01942	1.6
158.58987	0.8
165.01932	5.4
165.05597	0.9
166.02238	1.9
168.00679	7.3
169.01416	22.9
170.01740	1.4
177.04066	1.8
179.00009	0.8
211.02435	3.4
220.93297	0.8
227.03499	1.8
255.02800	1.0
256.03394	1.5
271.04657	1.9
284.03259	2.7
285.03903	4.5
286.04352	1.6
301.03281	1.3
303.04977	1.6
313.05594	1.9
315.05002	7.6
316.05441	9.4
489.43085	1.0
495.19022	4.1
567.24475	100.0
568.24841	12.6
593.13263	1.6
594.13159	2.5
596.56519	0.9
609.64484	1.0
630.26453	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	629.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33125	0.3
56.40162	0.3
60.67973	0.4
65.00004	0.5
65.00326	5.2
65.00647	0.6
66.06853	0.4
71.28839	0.7
73.63657	0.3
73.90021	0.3
87.78350	0.3
89.00326	1.2
91.01896	1.0
93.03458	1.9
93.77473	0.3
97.02952	3.9
107.01386	0.8
109.02968	1.7
121.02960	16.6
122.03308	0.4
124.01650	0.6
125.02458	0.6
125.25136	0.3
129.44908	0.3
139.04082	0.4
147.00955	0.4
149.02446	1.3
149.99573	1.7
151.00380	2.5
163.00369	1.1
164.01144	0.5
165.01930	43.4
166.02229	1.5
168.48254	0.3
169.01421	1.1
180.56087	0.3
190.25200	0.3
192.00597	0.4
193.01425	5.5
207.03035	0.6
219.13742	0.3
226.02734	0.8
227.03525	0.8
227.27032	0.3
228.04309	0.8
243.02933	2.0
244.03627	0.7
247.31668	0.4
254.02193	0.9
255.02965	1.7
255.96489	0.3
256.03687	0.8
259.06165	0.9
269.04553	0.5
271.02463	6.1
272.03183	1.5
287.05603	2.4
299.02054	0.5
300.02734	9.4
301.03052	0.7
313.05908	2.2
314.04156	0.7
315.05096	100.0
316.05432	8.0
477.10522	0.9
629.11371	3.4
630.12103	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1154
Annotation	Isorhamnetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
59.01361	2.7
61.98818	3.9
63.82980	1.2
65.00333	1.3
66.29350	1.0
67.01900	1.3
69.03426	1.1
69.25034	10.8
71.01373	2.8
72.99353	1.2
83.01406	1.1
88.98791	2.7
89.02405	1.1
96.96012	1.0
97.02937	1.6
98.19897	1.9
107.01392	5.5
109.02924	2.2
111.00828	1.0
119.05016	1.5
121.02962	5.5
123.00941	5.7
124.01642	1.4
125.02463	51.2
126.02780	1.8
137.02402	1.6
139.00388	3.2
140.01196	2.3
145.03001	1.1
151.00362	5.1
163.04012	2.1
165.01938	11.1
168.00661	3.7
169.01434	60.4
170.01782	1.8
193.01416	1.5
199.03987	1.5
211.02478	2.6
213.04924	1.3
227.03429	2.4
234.66484	1.1
243.02960	3.0
254.02075	1.9
255.02930	3.0
269.04507	1.5
271.02429	41.1
272.02798	3.1
285.04065	3.1
299.01981	71.4
300.02493	8.7
305.06732	1.8
313.05743	7.2
314.04324	85.9
315.05054	42.2
316.05215	2.0
335.11301	7.7
356.37054	1.2
360.08548	1.2
437.07834	1.3
440.22601	1.1
459.09372	2.0
463.08261	1.2
477.10376	64.2
478.10770	5.6
539.21307	3.1
567.24835	1.9
629.11487	100.0
630.11890	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	629.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24579	0.4
59.01355	1.7
61.98828	5.5
63.75828	0.4
65.00318	0.6
68.82584	0.5
69.18443	4.8
71.01357	1.6
73.02969	0.5
83.69596	0.5
85.02909	0.6
96.95981	0.9
101.02409	1.6
107.01372	1.6
108.02109	0.6
109.02934	1.4
111.00919	0.7
113.02378	0.6
120.58203	0.4
121.02960	2.8
123.00870	3.5
125.02442	4.5
132.67918	0.4
139.00349	1.3
140.01103	1.0
141.01921	0.6
151.00392	3.2
165.01938	9.1
168.00607	1.1
168.18506	0.5
169.01439	6.5
175.73151	0.5
193.01401	1.6
199.03922	0.8
201.11346	2.2
209.11801	1.7
211.02444	1.3
216.90286	0.4
226.02780	0.6
227.03401	1.1
243.02997	2.9
254.02190	1.1
255.02916	1.5
256.03644	0.5
269.04465	1.2
270.01666	0.6
271.02426	29.8
272.02823	2.8
285.04034	1.9
287.05508	0.7
299.01953	50.0
300.02576	8.1
313.05716	0.6
314.04312	59.7
315.05048	37.5
316.01959	0.5
316.05359	2.3
429.90817	0.5
435.29871	0.8
436.29999	1.1
467.33643	0.6
477.10345	100.0
478.10718	10.7
567.24493	5.1
629.11768	0.8
629.21838	1.1
629.31897	17.7
630.31384	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49081	0.6
59.01369	2.5
60.99313	7.5
71.01365	2.7
72.53732	0.7
79.01876	1.3
81.94796	0.7
83.01389	0.8
88.98805	40.8
98.20642	2.7
101.02442	1.4
107.01381	2.7
111.00906	1.2
113.02464	1.1
123.00873	8.1
125.02458	11.1
136.98891	1.0
139.00378	3.0
140.01117	1.8
141.01878	0.9
151.00352	7.2
153.01971	0.8
153.09184	1.1
163.03972	1.0
168.00636	1.7
169.01425	17.0
170.01772	0.8
174.16760	0.8
193.01309	0.8
211.02422	1.0
227.03455	1.8
229.89029	0.9
255.02940	5.3
271.04572	1.6
284.03259	8.0
312.66360	0.8
313.05585	1.3
322.47870	0.9
404.79272	0.8
445.09866	2.4
539.21326	100.0
540.21674	11.5
593.15063	8.9
594.15173	1.1
629.11029	1.3
629.21454	0.8
632.35443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2098
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.26718	0.3
51.29575	0.3
60.43111	0.3
61.98834	0.6
70.62659	0.9
73.02937	1.0
104.79207	0.4
126.97343	0.4
130.11812	0.3
211.13368	0.4
223.09747	0.3
409.55472	0.4
437.12213	0.7
438.13370	1.3
450.12698	0.4
451.14020	1.4
452.14844	4.2
457.14124	0.4
464.26752	0.4
466.16385	0.5
467.49911	0.3
469.11285	0.8
479.17130	0.8
480.13879	0.6
481.15024	7.5
482.15448	1.5
484.13782	0.6
493.15399	1.4
494.15674	0.9
495.16794	14.6
496.17139	2.7
507.16739	1.1
508.18121	2.1
509.17902	1.5
512.13599	0.6
521.14618	0.7
523.19189	1.3
524.19843	0.5
526.14795	1.0
533.18237	0.8
535.16290	2.1
536.16949	2.6
537.16986	0.4
539.15723	0.9
540.17065	3.9
541.16211	0.6
551.19379	42.5
552.19629	7.1
554.17645	1.4
555.19495	1.7
567.18713	0.6
568.15955	0.9
572.15271	2.9
586.17334	2.5
587.17596	0.6
595.18335	9.7
596.18420	2.1
600.19275	0.4
627.20959	100.0
628.21216	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	627.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.2
65.66981	0.7
81.03432	0.7
83.47231	0.7
92.14832	0.7
103.00496	0.6
108.02176	55.2
109.02996	9.8
125.02456	1.0
128.03505	1.1
133.02905	1.0
135.00859	0.8
151.04010	0.9
152.01157	48.4
153.01956	24.0
154.02260	1.2
163.04016	1.2
165.01869	0.8
167.35205	0.7
256.10538	0.7
281.31262	0.7
285.06155	100.0
286.06473	5.2
303.84433	0.8
331.06442	0.8
469.13043	0.8
627.23444	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	626.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.71866	0.8
70.72202	1.6
78.95900	0.7
97.11250	0.7
119.66944	0.6
123.65695	0.6
152.99657	0.7
248.06390	0.7
266.67810	0.7
278.22122	0.8
350.54199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.1
59.01370	4.8
60.99313	11.9
61.98832	34.6
67.01881	1.4
69.77506	3.4
71.01381	4.1
72.99271	0.7
73.02950	1.0
74.39684	0.6
79.01904	1.2
83.01390	1.6
85.02950	1.6
87.00884	1.6
88.00397	1.8
88.98806	81.2
89.02443	11.2
95.01378	2.1
96.96009	1.7
98.19930	1.2
99.00904	1.2
101.02423	2.0
105.01950	0.9
107.01398	4.7
108.02120	0.8
109.02937	1.5
110.00093	0.8
111.00887	2.9
113.02429	1.5
123.00008	0.9
123.00890	17.6
125.02446	20.7
127.00429	1.1
136.05237	0.6
136.98801	1.4
137.02496	1.4
139.00377	6.4
140.01173	4.0
141.01932	1.8
151.00374	11.6
151.07678	0.8
152.01117	1.2
153.01903	1.9
157.06889	0.7
162.59969	0.6
168.00645	3.6
169.01418	23.2
169.02849	1.5
181.05074	1.0
186.39799	0.6
193.05161	0.7
209.04427	0.6
211.02484	1.0
223.00154	0.7
237.41962	0.7
271.04428	0.9
285.04028	0.6
435.29630	1.1
475.12009	1.2
501.19821	1.2
627.30188	100.0
628.30719	6.8
643.32208	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42389	0.5
57.03448	0.5
59.01386	3.0
59.02721	0.5
61.98831	10.1
69.03426	0.6
71.01374	5.1
71.52255	0.6
72.99302	0.6
73.02928	0.7
78.95908	1.1
78.97527	0.4
80.96526	0.6
81.03447	2.1
83.01424	0.5
83.91193	0.4
85.02953	3.6
88.98801	1.8
89.02431	1.3
93.03437	1.8
95.01392	2.5
96.95999	0.7
97.06573	0.9
99.02937	0.5
101.02428	2.0
108.02174	59.0
109.02962	34.0
110.03268	0.8
111.00905	0.6
113.02428	2.6
119.03481	0.9
121.02912	1.2
123.00880	3.4
123.04490	1.1
125.02463	3.6
133.02858	0.6
135.00873	1.0
137.02498	2.5
139.00305	0.5
140.01099	0.8
145.02974	0.5
151.00328	1.0
151.04031	0.6
152.01151	59.7
153.01947	14.3
154.00085	0.4
154.02248	0.8
161.04512	0.6
163.03983	1.1
165.01897	1.0
168.00688	0.6
169.01396	2.9
171.10251	1.8
183.13806	0.7
197.11826	0.9
204.39725	0.5
209.11845	4.2
211.13435	3.5
227.12872	1.6
229.14430	2.8
291.19592	1.1
315.07285	0.7
327.21765	5.9
397.13516	0.7
415.14316	1.1
427.23065	0.6
625.28607	100.0
626.28937	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	625.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	1.6
59.01379	16.4
61.98822	1.3
64.40591	0.8
71.01385	14.6
71.52070	1.1
72.10149	0.6
72.51154	0.6
72.99310	1.4
73.02940	1.8
79.82948	0.6
80.02666	1.5
81.03461	1.6
82.46434	0.7
83.01384	2.5
83.05023	5.8
84.02149	0.7
85.02954	2.4
87.00880	2.3
89.02439	15.8
92.65620	0.6
95.01385	1.4
95.05014	0.7
97.02964	1.6
101.02435	11.0
113.02444	5.9
119.03519	4.8
122.23235	0.7
123.00804	0.8
125.02442	8.4
125.06065	0.9
131.03468	1.2
135.34184	0.6
137.02473	1.2
143.03485	2.7
144.27800	0.6
149.04608	0.9
151.00458	0.7
161.04620	3.2
163.11298	3.4
165.12830	2.1
169.01422	8.1
179.05608	2.9
191.10788	1.8
199.13351	1.6
207.76520	0.8
209.11821	100.0
210.12152	5.6
221.06648	1.0
227.12883	25.4
228.13081	1.0
235.06198	0.9
235.08136	4.7
253.09283	1.3
271.02292	1.0
287.07782	0.8
300.02789	0.7
301.03345	0.8
305.08698	1.2
318.57776	0.7
321.02512	2.8
397.13486	31.9
398.13864	1.8
403.13876	0.7
415.14566	19.8
416.14908	1.3
491.61740	0.8
625.15320	2.1
625.27478	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	624.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23113	0.6
52.20432	0.7
59.01371	0.8
61.30949	0.7
61.98830	100.0
69.76216	3.6
90.78865	0.6
98.20554	1.0
102.95763	0.6
129.58414	0.6
200.88441	0.6
206.60965	0.7
224.15320	0.6
272.01111	0.7
370.09464	0.6
467.28824	0.6
506.15427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
121.86832	0.5
128.16196	0.5
268.32520	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00491	0.7
61.31904	0.8
62.72631	0.6
70.98429	1.5
70.98776	0.8
71.01361	1.0
86.22800	0.6
96.95979	2.2
99.00895	0.6
117.70319	0.8
119.04981	2.3
125.02431	1.2
125.23376	0.7
151.00325	2.3
151.03981	0.9
163.04008	3.2
166.53709	0.7
169.01343	1.0
185.02298	0.7
188.01227	0.9
191.05737	0.8
200.01167	1.2
222.19594	0.7
229.01295	2.0
242.99187	2.3
243.02876	1.1
243.99971	1.0
257.00879	1.6
270.98727	28.3
271.02332	10.6
271.99280	2.7
279.28079	0.8
282.98819	0.9
283.99524	1.1
298.00974	1.0
298.98203	34.4
299.01852	20.4
299.99112	79.9
300.02420	3.6
300.99930	50.5
301.03369	8.0
302.00043	2.7
302.03433	1.0
312.99893	3.9
327.01382	0.8
328.99487	1.5
373.18390	0.7
445.04004	1.6
462.02945	3.9
463.04758	27.0
464.05258	2.0
494.00537	0.7
625.10339	100.0
626.10693	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	625.141
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98794	0.9
65.00304	0.9
70.26340	1.4
70.26706	1.4
93.03379	0.7
96.95933	1.8
107.01340	1.6
109.02870	1.0
121.02909	0.9
125.02428	1.1
149.02408	0.7
151.00385	8.6
163.04015	1.1
169.01382	0.8
171.04468	1.2
175.00282	1.3
178.99829	1.3
187.03911	0.9
196.99283	0.7
199.03903	3.3
203.03384	0.8
210.74452	0.8
215.03447	1.9
227.03429	2.9
243.02979	4.7
255.02905	1.8
270.99109	3.6
271.02460	61.4
271.99423	0.9
272.02780	4.2
282.42624	0.6
298.98444	6.1
299.01932	100.0
299.95871	1.3
299.99048	13.3
300.02594	17.6
300.99823	7.3
301.03448	42.4
302.03870	3.1
314.33267	0.7
343.04373	1.4
395.90506	0.7
462.08115	22.5
463.09094	36.8
464.09207	3.8
505.09531	1.4
607.16797	0.8
625.14166	87.7
626.14557	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	624.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98680	0.3
59.01372	1.5
59.99293	0.3
61.98832	100.0
69.03452	0.3
69.56777	0.3
71.01392	1.1
71.08567	0.5
73.02985	0.3
78.95918	0.4
79.95749	1.7
80.96526	0.7
81.03517	0.3
83.05032	0.5
85.02967	0.4
86.52203	0.3
87.00875	0.5
89.02463	0.8
98.85999	0.3
101.02456	1.0
109.06611	0.5
113.02461	0.6
119.03551	0.3
125.02419	0.5
125.09757	0.5
126.79150	0.3
138.01875	0.3
140.83385	0.2
163.11339	0.7
168.04579	0.3
169.01477	0.4
169.12349	1.0
171.10269	1.8
179.10876	0.3
181.12373	0.3
197.11832	17.2
198.11037	0.3
207.10352	0.6
208.10600	0.7
209.11826	15.9
219.13959	0.3
225.00632	0.4
225.11382	0.9
226.11795	0.7
235.08408	0.7
235.13446	2.4
253.09314	1.5
328.70197	0.3
341.10849	0.3
348.70618	0.3
371.22321	0.7
388.22089	0.4
389.23624	1.4
407.24670	0.6
433.20905	0.5
441.14523	0.3
539.18359	0.9
607.31726	1.6
624.26483	0.9
625.29553	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	623.1408
Annotation	Isorhamnetin 3- (6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
50.63477	0.5
57.61225	0.4
59.01380	2.7
61.98827	6.1
65.00330	2.4
66.26073	0.4
66.62085	0.4
71.01363	1.7
71.07816	0.4
71.51753	0.6
71.52107	0.5
72.08018	0.4
72.66399	0.4
78.95901	3.7
88.98780	1.0
89.02456	0.6
93.03471	0.6
97.02920	1.6
101.02448	0.7
107.01388	1.8
108.02145	0.9
109.02940	2.9
109.06590	0.6
111.00947	0.5
112.98544	0.7
113.02460	0.6
116.92839	1.6
117.03441	1.4
119.03524	0.7
119.05017	0.7
121.02966	5.4
121.03776	0.7
123.00864	0.8
124.01643	0.8
125.02438	3.9
133.02921	1.3
135.04510	1.4
139.00392	0.7
139.04010	0.7
145.02936	3.4
149.02310	0.6
149.99580	0.7
151.00323	1.8
152.99545	1.9
161.02406	2.3
163.04030	0.9
163.11275	0.6
165.00531	1.0
165.01926	16.2
169.01413	4.2
170.01761	0.6
171.04483	0.6
171.10347	0.6
175.03987	1.1
175.49493	0.5
179.03551	0.6
183.02998	0.7
183.04498	0.6
187.03915	0.6
193.01370	2.9
195.10251	1.0
199.03995	3.0
201.01833	1.1
203.03603	0.7
207.10223	1.0
209.11749	2.7
211.02382	0.5
215.03442	1.3
225.11272	1.4
226.02713	1.4
227.03465	4.5
227.12857	1.3
228.04086	1.0
240.12755	0.5
242.02177	1.1
243.02977	7.1
244.03490	0.6
254.02263	2.2
255.02965	4.1
256.03699	1.1
259.05954	0.6
259.16919	0.5
259.34625	0.5
269.04593	2.1
270.01700	0.6
271.02460	68.1
272.02798	4.8
272.24423	0.5
283.02454	1.2
284.03296	0.6
285.03931	3.2
286.04614	1.0
287.05557	2.0
297.04184	0.6
299.01953	96.8
300.02545	12.7
301.03018	0.9
307.08139	0.7
314.04306	93.7
315.05060	56.8
316.05350	3.8
323.07660	2.0
338.86090	0.5
357.06195	1.2
363.12271	0.7
387.21692	0.9
405.22427	0.6
470.05475	0.7
470.55673	1.4
477.10358	100.0
478.10654	9.0
591.26019	0.8
622.33044	0.6
623.14178	34.9
623.26001	4.9
624.14417	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	623.1617
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
59.01366	0.7
61.24180	0.4
61.98841	0.4
65.00314	0.7
69.28823	3.6
71.01408	0.6
94.22785	0.3
97.02953	0.6
109.02937	1.9
121.02944	2.6
132.63988	0.4
144.10555	0.4
148.30107	0.4
149.99591	0.4
151.00360	0.8
163.00354	0.5
165.01927	11.7
166.02269	0.5
169.01422	0.4
171.04477	0.4
193.01418	2.3
199.03940	1.9
203.03543	0.4
215.03514	0.9
218.92542	0.4
226.02670	0.8
227.03459	2.6
242.02209	0.5
243.02908	3.9
254.02202	1.4
255.02931	1.6
269.04492	2.0
270.01630	0.9
271.02460	50.0
272.02771	3.8
285.04001	2.8
287.05603	0.5
299.01944	81.6
300.02487	9.5
301.02988	0.5
314.04300	71.1
315.05029	30.3
316.05405	1.7
357.06201	0.9
417.21365	0.7
556.26727	0.4
623.16132	100.0
624.16455	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	623.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99602	0.5
59.01382	8.9
63.28885	0.5
69.03463	1.1
71.01384	7.3
71.50706	0.7
73.02949	1.9
83.01410	0.5
85.02951	3.6
87.00893	0.9
89.02446	3.2
93.08569	0.6
95.01391	0.8
95.70922	0.5
97.02953	1.1
101.02436	3.2
103.04018	1.1
108.02177	50.3
109.02987	8.4
111.00824	0.6
113.02477	1.1
119.03550	0.9
120.50780	0.5
125.02448	2.3
133.02972	0.7
134.03775	0.8
135.04535	1.8
137.02446	1.0
143.03516	1.0
146.57796	0.5
151.04034	1.1
152.01151	73.3
153.01950	6.6
153.05562	0.6
161.04530	0.7
163.04005	4.7
169.01399	0.7
177.01849	1.2
199.00545	0.5
207.02977	0.8
225.15460	0.6
259.75049	0.6
285.06085	1.5
461.13214	0.6
590.77808	0.6
623.18280	100.0
624.18475	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	623.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
59.01377	38.2
61.98832	6.8
69.03438	1.3
71.01377	22.5
71.52286	1.6
72.99299	2.9
73.02953	15.0
75.00826	1.9
77.08096	1.5
78.95901	1.5
83.01386	4.0
85.02943	4.9
86.47751	1.4
87.00882	2.7
89.02438	14.4
95.01381	2.7
96.96019	6.4
99.00869	1.6
101.02443	15.8
107.01400	2.3
110.60538	1.4
113.02435	10.4
119.03472	3.0
123.00864	1.9
125.02451	8.4
151.00351	2.4
154.74702	1.4
154.89922	1.5
160.55385	1.4
161.04427	1.4
169.01440	10.3
195.13881	9.0
213.14940	5.4
271.02460	3.7
285.04105	1.9
299.01993	4.3
314.04309	5.2
357.19321	6.3
375.20172	18.3
406.85489	1.3
417.21274	100.0
418.21582	12.1
470.55911	2.4
538.63586	1.4
623.16498	3.8
623.26050	2.9
630.48859	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	623.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
61.98837	4.7
63.02394	1.0
65.00328	1.2
66.74867	0.7
76.03632	0.7
83.01414	0.6
85.43491	0.6
91.22861	0.6
93.03473	1.4
96.95990	4.6
98.20691	1.5
102.38000	0.6
107.01382	3.2
109.02871	0.8
112.24510	0.6
123.00893	0.8
125.02435	1.6
132.02135	3.2
133.02965	2.4
134.03726	3.7
135.00874	1.1
135.04546	3.3
147.95448	0.7
149.06078	1.3
151.00365	5.0
159.04460	0.8
160.01653	6.5
161.02449	12.0
163.00398	2.4
164.01045	0.9
165.01945	1.0
165.93773	0.6
169.01408	1.8
175.04021	7.4
179.03494	3.6
183.04478	1.4
185.02446	1.3
185.06116	1.9
187.04012	1.9
193.05045	2.1
199.03839	1.4
200.04680	1.1
211.03935	3.3
213.05594	1.9
221.04570	1.1
227.03490	51.3
228.03934	3.3
229.05049	7.3
239.03473	1.0
240.04285	1.1
241.05132	1.2
255.02979	86.2
256.03577	11.5
257.04492	4.7
283.02457	2.6
284.03247	100.0
285.03989	61.5
286.04398	4.6
298.04691	1.8
299.02167	1.3
299.05606	18.4
300.06015	0.8
323.07684	27.9
324.08081	1.2
327.04947	1.0
337.09375	1.5
403.12518	1.0
447.09253	4.7
461.10980	0.8
623.14008	76.5
624.14288	11.6
631.48126	0.7
636.43146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.3
61.98839	3.1
63.02420	1.8
65.00340	1.3
69.48489	2.5
73.02969	0.7
75.00895	0.5
83.01408	1.1
84.96287	0.4
85.02959	0.9
88.98814	1.0
95.01395	0.6
96.96030	3.0
96.96973	0.6
97.02858	0.4
98.95638	0.9
101.02492	0.9
103.00399	1.2
105.03444	0.5
107.01385	2.9
109.02967	1.3
110.45230	0.4
113.02419	0.7
121.02987	1.9
123.00909	1.5
124.01679	0.5
125.02444	4.7
132.02168	3.9
133.02960	9.3
134.03767	2.8
135.04550	3.6
137.02536	0.6
139.00400	0.6
140.01183	0.5
147.04591	0.5
149.02489	2.0
149.06120	0.5
151.00372	6.6
160.01659	10.0
160.02901	0.9
161.02451	8.3
165.02019	0.6
168.00735	0.9
169.01430	5.7
170.49446	0.5
174.88951	0.4
175.03990	8.8
177.02054	0.7
177.05476	0.7
179.03491	2.6
193.05037	0.9
197.06117	0.6
199.04065	2.1
200.04659	0.6
201.01958	0.6
213.05531	1.1
215.03755	0.5
216.18640	0.4
217.05067	1.7
218.77747	0.5
221.04504	1.3
225.11459	0.5
227.03603	1.0
241.04993	0.9
243.02997	0.7
255.03035	1.4
256.03760	2.2
257.04251	0.7
265.20236	0.4
267.03049	0.8
270.32767	0.5
271.02487	1.9
283.02362	0.8
284.03275	34.6
285.04031	100.0
286.04355	6.7
297.04053	0.5
299.02014	3.4
299.05615	13.3
300.02493	0.6
300.05817	0.5
314.04248	3.7
315.05182	1.7
323.07700	11.9
324.08054	1.0
327.05359	0.8
403.12305	1.6
425.89554	0.5
447.09177	0.9
470.05502	0.5
470.55655	1.0
471.18552	0.7
532.66254	0.4
623.14038	68.5
624.14276	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	623.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
61.98816	2.2
62.53577	0.8
62.57062	0.7
63.02414	0.9
64.37016	0.8
69.67125	0.9
69.81992	2.5
69.82399	1.5
83.01388	0.9
93.03445	1.4
93.29027	1.1
98.20641	1.3
107.01358	4.2
109.02975	0.8
117.03481	1.6
132.02170	3.2
133.02954	3.3
134.03719	4.3
135.00897	2.5
135.04512	3.4
143.04996	1.5
151.00357	5.3
159.04541	1.8
160.01645	6.0
161.02461	7.2
163.00345	3.1
169.06630	1.2
171.04578	1.0
173.60220	0.8
175.04012	6.5
177.05550	0.9
179.03481	3.4
183.04517	3.3
185.06071	3.0
187.04031	2.3
193.04967	2.1
199.03960	2.0
200.04678	1.4
201.05594	1.2
211.03972	3.6
212.04744	1.3
213.05463	2.7
221.04501	1.7
227.03491	54.4
228.03871	3.6
229.05037	9.9
239.03600	1.7
240.04207	1.4
241.05011	1.4
255.02988	93.3
255.69609	1.0
256.03589	12.5
257.04593	8.5
283.02438	4.5
284.03268	88.4
285.04013	100.0
286.04337	6.5
298.04831	3.4
299.05612	14.8
314.04199	0.9
323.07700	18.9
337.09277	3.8
411.64316	1.0
447.09229	2.6
457.90079	0.8
461.11087	1.5
623.14044	86.1
624.14343	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	621.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91547	0.2
55.01886	0.2
59.01385	1.8
61.98814	0.5
66.83057	0.3
67.01881	0.4
69.03456	0.8
71.01364	1.2
71.52141	0.3
72.99274	0.3
73.02948	0.2
79.01892	0.4
79.42508	0.2
79.95735	2.7
81.03461	0.6
83.01389	0.5
85.02972	0.5
85.50134	0.2
89.02448	0.8
91.00300	0.2
91.80031	0.2
95.01392	1.7
96.96011	100.0
97.02950	0.9
97.95964	0.3
101.02439	0.6
101.09571	0.2
107.01390	3.3
111.00916	0.5
113.02457	0.6
119.03487	0.3
121.03046	0.2
123.00886	4.7
124.01627	0.4
125.02447	33.4
126.02766	1.4
133.12939	0.2
136.98747	0.3
137.02394	0.2
139.00365	1.1
140.01154	0.7
141.01915	0.3
145.02933	0.3
151.00362	0.7
159.04543	0.3
161.02505	0.4
166.99872	1.7
168.00662	1.6
169.01419	40.7
170.01756	2.0
177.01923	0.4
179.03452	0.3
187.04041	0.4
193.01401	0.6
198.78343	0.3
205.01375	0.4
207.02977	0.2
211.02467	0.8
217.05038	0.4
232.03026	0.7
233.04472	0.3
241.03502	2.1
241.53622	0.2
255.98825	0.2
261.04208	0.3
277.03598	0.4
279.05008	0.4
295.04602	0.7
313.05731	0.6
317.04080	0.8
389.87241	0.2
393.04620	3.5
393.54895	1.2
431.06238	0.4
465.06973	0.5
469.05142	25.1
469.55292	10.8
470.05405	1.8
523.14587	0.3
523.21820	4.3
524.22174	0.4
561.29279	0.7
579.29926	0.5
606.30249	0.2
617.07745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91488	1.4
61.98826	23.2
71.49956	2.8
74.97998	1.5
78.95904	31.5
95.01058	1.6
113.24297	1.5
118.18221	2.1
152.99591	23.2
209.11801	6.7
219.80327	1.5
227.12862	2.2
255.23256	27.6
363.12164	4.0
391.22632	8.9
401.14270	2.4
409.23801	3.6
415.15726	3.2
416.16544	10.7
416.21179	1.9
430.17786	2.5
431.18951	2.2
448.38831	1.7
459.18243	100.0
460.18768	13.3
473.19772	17.7
474.20612	6.9
475.21399	2.2
518.19629	45.4
519.20233	6.0
532.21130	9.0
533.21942	96.8
534.22479	12.8
587.23090	6.1
588.23193	2.2
619.25775	83.6
619.36401	15.1
620.25946	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96408	1.0
78.95905	100.0
83.05005	1.7
83.05485	0.8
88.10548	0.8
96.96968	7.7
134.98557	1.1
147.69478	0.8
150.98047	0.8
152.99583	62.0
153.99948	1.0
158.39519	0.8
163.11295	1.3
165.12862	1.9
171.10240	0.8
195.10260	0.8
201.70612	0.8
209.11809	26.1
210.12251	1.0
227.12921	7.1
255.23282	83.4
256.23709	6.0
341.24847	1.4
363.12115	13.8
364.11963	0.8
381.13248	1.6
391.22522	25.8
392.23041	2.4
409.23553	12.0
410.24097	1.7
619.36188	39.0
620.36511	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	620.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06211	1.7
59.01376	8.4
61.98828	29.1
66.10254	1.5
69.89180	8.2
71.01378	7.2
71.01747	1.4
73.02969	2.4
74.02490	1.8
78.95912	4.3
85.02955	2.3
88.98801	2.8
89.02447	4.6
91.01894	16.5
95.01424	1.9
96.96012	25.8
96.96954	5.1
101.02457	4.0
102.31747	1.5
107.01387	5.1
107.69985	1.5
109.02956	19.4
111.00899	2.2
113.02418	2.5
123.00889	10.4
124.01648	2.1
125.02441	47.3
135.00882	37.8
137.02473	2.2
139.00377	4.8
140.01143	2.4
151.00381	7.4
153.01942	44.5
166.99835	3.1
168.00626	6.5
169.01425	62.0
185.02440	3.8
193.98563	15.4
205.12286	2.0
211.02502	2.4
223.13400	6.9
241.03488	2.1
242.02184	4.2
243.02852	10.2
269.00885	11.2
287.01901	4.5
310.56339	1.6
313.05676	20.2
329.03061	16.0
389.05017	12.6
397.13538	4.4
412.84048	1.9
422.08630	2.5
449.07239	48.7
450.07660	3.7
466.07800	7.8
469.05212	15.2
557.13019	100.0
558.13220	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	619.2564
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.29065	1.1
61.98823	1.5
69.64623	6.8
78.95914	5.6
91.55231	1.2
98.19939	0.9
107.24613	1.0
115.90125	1.0
119.77106	1.0
149.39381	1.1
152.99600	3.3
209.11748	1.7
249.24879	0.9
255.23241	3.8
401.14117	1.9
415.15561	3.8
416.16425	12.9
417.16513	2.1
429.17233	2.2
430.18106	2.7
431.18842	1.1
444.15982	1.5
456.36261	1.1
458.18103	1.4
459.18280	100.0
460.18628	12.3
473.19821	16.0
474.20599	5.3
485.15829	1.3
486.17090	1.3
501.19244	2.3
503.17154	3.0
518.19556	42.1
519.19885	5.1
532.21289	8.2
533.21954	95.6
534.22437	13.0
587.22974	4.5
619.25641	73.3
620.25916	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	619.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62265	0.5
57.03442	0.6
58.24900	0.5
59.01390	2.0
61.98827	1.5
67.57457	0.5
69.03457	0.7
71.01391	1.9
72.14253	0.5
73.02946	0.7
75.29017	0.5
78.94523	0.5
79.01891	0.5
83.01379	0.7
85.02950	0.6
87.71900	0.6
89.02497	0.6
95.01408	1.5
96.96011	6.9
97.02979	0.9
97.78396	0.5
97.95985	0.6
98.95575	3.4
99.00880	0.8
101.02475	1.7
104.87482	0.6
107.01392	4.1
108.02190	2.5
109.03001	1.5
111.00929	1.6
113.02479	1.3
123.00895	6.3
123.01637	0.6
123.04532	28.0
124.01713	0.6
124.04945	1.1
125.02451	35.9
126.02823	1.0
130.94281	0.5
131.84013	0.6
137.02446	0.9
137.06082	0.8
139.00356	2.7
139.03981	1.2
140.01195	1.4
140.80217	0.5
141.02034	0.9
151.00385	5.2
152.01201	3.3
153.02016	2.7
153.05577	44.0
154.05957	1.9
163.04088	1.7
165.01886	0.5
168.00647	3.5
169.01425	47.2
170.01826	2.2
179.03398	0.6
191.05725	1.0
193.01530	0.8
195.06660	0.9
207.03058	1.3
211.02458	2.6
225.04138	1.5
241.03542	1.0
253.03514	0.9
271.04639	0.7
297.06287	0.6
299.02042	0.7
313.05649	22.9
314.06070	1.6
315.07324	2.0
315.10785	0.9
387.09274	1.2
423.09253	1.4
449.07458	2.2
467.12204	100.0
468.12646	8.8
539.10510	3.4
563.24945	0.6
619.09521	2.2
619.26642	2.4
620.26495	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92754	0.4
57.03438	0.8
59.01384	1.9
59.65469	0.5
61.98836	1.5
67.01901	0.6
71.01379	3.2
71.51664	1.0
72.99297	0.6
79.01923	1.0
81.03444	0.6
83.01396	1.1
85.02975	1.8
85.35455	0.5
89.02477	0.7
95.01416	1.5
95.05017	0.6
96.96011	5.9
96.96981	0.6
97.02985	0.7
98.95571	2.5
101.02482	1.8
107.01382	4.9
108.02212	2.4
109.02964	2.0
111.00893	1.2
113.02490	1.9
121.03010	0.8
123.00886	6.1
123.04525	29.7
124.01688	0.7
124.04867	0.8
125.02445	35.2
126.02790	0.8
131.03572	0.8
133.95111	0.5
134.12119	0.5
136.98866	1.0
137.02512	1.0
139.00342	2.8
139.04048	1.2
140.01178	1.7
141.01973	0.9
150.03348	0.5
151.00363	5.8
152.01154	3.7
153.02000	2.1
153.05576	42.5
154.05937	1.6
163.04037	1.3
168.00662	2.9
169.01424	49.7
170.01842	2.1
181.05122	0.7
183.03023	0.5
191.05740	0.7
207.03067	1.2
211.02548	1.2
225.04123	0.8
241.03574	1.0
253.03673	0.8
271.04645	1.0
297.06271	1.0
299.02106	1.1
313.05630	22.2
314.06146	1.4
315.07138	1.6
315.10760	1.0
319.65714	0.6
387.09537	1.4
423.09766	1.3
424.09766	0.6
449.07339	2.3
467.12198	100.0
468.12534	8.6
539.10437	4.3
540.11121	0.6
619.07813	2.6
619.25684	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	619.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
61.98832	5.1
63.23159	1.2
69.28252	2.3
69.28660	8.1
71.01387	3.4
85.02946	2.0
87.00877	1.2
89.02430	1.3
93.03403	1.7
94.05021	1.0
95.01412	1.3
96.96013	2.5
98.20725	2.0
101.02446	2.2
107.01391	4.7
108.02187	12.4
109.02982	9.9
110.05025	1.2
116.92836	1.9
123.00886	7.7
123.47861	1.2
125.02460	25.3
126.02779	1.8
135.00848	1.3
139.00401	3.1
140.01198	2.2
151.00398	9.5
151.03987	2.1
152.01161	22.8
153.01917	8.5
165.01939	1.3
168.00594	1.9
169.01431	33.9
170.01822	2.2
193.98517	2.6
211.02396	1.4
255.02885	4.5
271.02444	10.2
272.02884	2.5
297.06180	2.0
300.02707	22.2
301.03198	8.1
302.03323	4.1
303.03683	2.8
303.56415	1.3
304.04120	2.0
313.05618	9.4
315.07236	13.3
379.25482	1.4
423.09369	15.7
441.41943	1.5
449.07028	7.0
463.08905	11.3
467.08252	100.0
468.08673	9.0
514.17688	1.3
556.21191	1.9
601.12091	3.3
619.11749	15.6
620.12067	2.0
640.16504	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	618.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
70.72671	1.4
78.95904	10.0
81.15232	0.7
117.53020	0.8
117.70153	0.8
134.51993	0.8
139.92400	0.7
152.99597	5.4
209.11909	2.0
225.60294	0.9
255.23244	7.6
256.23718	1.7
277.43835	0.8
363.12219	1.2
391.22852	2.7
581.65198	0.8
619.36157	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	618.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.06509	1.3
71.13176	1.8
76.61845	1.4
78.95897	10.8
79.36756	1.1
82.64316	1.2
96.96976	1.2
101.89000	1.2
152.99553	6.9
255.23297	9.7
256.23730	1.7
391.22638	3.1
408.57608	1.5
618.35040	2.5
619.35883	3.4
639.67407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80898	0.7
51.81353	0.6
57.03442	9.1
59.01376	1.7
61.98847	2.0
65.00311	1.1
71.01392	2.5
71.51725	1.5
74.13512	0.7
78.99805	0.7
79.01933	0.8
81.03435	1.5
83.01389	2.9
85.02972	1.0
95.01392	2.0
95.31870	0.8
96.96021	2.8
97.02944	2.6
101.02481	1.6
107.01384	6.3
108.02187	3.4
109.02935	3.9
111.00878	1.6
113.02443	1.0
121.02965	1.0
123.00864	5.5
123.04532	1.7
125.02448	100.0
126.02760	8.5
127.02955	2.4
137.02513	1.5
139.00386	1.8
139.03967	1.4
140.01132	1.4
149.02457	4.5
150.02921	1.0
151.00397	8.4
152.01158	5.4
153.00832	1.1
153.01930	7.3
153.05505	1.6
154.02275	1.6
163.00394	2.0
163.03981	1.4
164.00725	1.0
164.55756	0.8
167.03412	1.8
168.00630	3.5
169.01419	42.1
170.01759	4.4
171.01814	1.2
175.00368	1.0
175.03966	1.6
177.01871	3.2
178.99850	1.9
179.03534	2.0
181.05048	1.8
199.04051	0.9
203.12917	2.4
206.08357	0.8
211.02534	5.7
212.02779	1.4
217.04999	1.1
225.04010	1.6
241.03479	1.2
271.04553	3.3
272.05109	1.0
285.03955	4.9
286.04251	4.0
287.04654	2.4
303.05078	2.2
304.05493	2.1
305.05521	1.6
313.05652	26.6
314.05908	4.8
315.06100	4.3
338.46902	0.9
423.08911	1.6
439.08752	19.2
440.08994	2.2
449.06979	1.6
465.06314	0.9
467.07797	14.3
468.08420	2.4
478.07144	1.0
479.07764	0.8
495.06570	1.4
539.10394	68.0
540.10870	7.3
575.10345	1.1
591.12561	3.5
600.10413	2.3
601.10974	12.9
602.11566	0.9
618.11780	1.4
619.12036	20.7
620.11609	1.5
622.60760	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53249	0.6
61.98830	100.0
71.41135	1.1
78.95921	7.2
86.57124	0.7
96.96980	0.9
109.20895	0.6
129.70110	0.7
138.20985	0.7
152.99564	5.2
169.04691	0.7
209.11917	2.3
210.83641	0.8
210.97733	0.8
215.59940	0.9
255.23312	6.5
256.23709	1.3
264.58914	0.8
315.11624	0.8
363.12067	1.1
391.22659	1.0
392.71948	0.8
409.23514	1.5
578.97522	0.7
609.26044	0.7
619.36713	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	617.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67942	0.3
59.01375	4.5
61.98823	1.9
68.57987	0.4
71.01379	3.7
73.02956	1.0
73.67341	0.5
80.02695	0.7
81.03455	1.0
83.01388	0.6
83.05032	3.5
84.02190	0.5
85.02951	1.0
87.00879	0.9
89.02440	2.6
95.05045	0.4
95.39834	0.4
98.19053	0.3
98.19807	0.6
101.02444	3.9
109.92587	0.4
111.08127	0.4
113.02452	1.4
119.03522	0.8
125.02451	2.1
125.09730	1.4
127.11319	1.7
131.03503	0.8
135.08179	0.7
148.00865	0.4
149.04590	0.6
151.00304	0.5
153.09212	0.8
161.04587	1.6
163.11288	3.3
165.12851	2.2
169.01448	1.3
171.10266	100.0
172.10606	3.6
175.03964	1.0
179.05513	0.5
181.12354	0.4
189.05630	0.4
190.06339	1.6
191.10811	0.4
201.11359	0.3
209.00926	0.9
209.11819	91.6
210.12180	4.9
227.12889	11.9
228.13165	0.6
235.08253	3.3
252.38017	0.4
253.09245	8.3
254.09634	0.5
303.12338	5.0
313.05722	1.9
407.19092	1.2
445.21017	1.0
463.21503	0.5
465.17838	1.2
581.29395	0.8
617.18567	2.1
617.29285	1.0
618.18695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
67.71847	0.7
70.05402	2.9
70.18264	0.6
78.95914	2.3
90.80180	0.6
131.37877	0.7
134.17734	0.7
152.99614	2.0
179.10826	0.8
197.11868	2.1
255.23227	3.5
304.37256	0.7
346.73419	0.7
409.72430	0.7
436.11227	0.6
553.37469	4.8
554.38361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1146
Annotation	Taxillusin
Peak:m/z	Relative Intensity
52.42510	0.9
54.18481	1.0
57.03454	6.4
64.06306	0.9
65.00327	3.0
67.01912	1.1
68.99826	1.2
70.84023	2.2
71.01385	3.0
81.03459	1.4
83.01392	4.2
83.32893	1.1
93.03429	1.7
95.01444	2.4
100.77497	1.1
107.01403	11.8
109.02942	2.9
111.00897	1.8
121.02962	2.5
121.62759	1.1
123.00860	7.7
123.04504	1.2
124.01653	3.3
125.02451	100.0
126.02872	2.5
136.98921	1.4
137.02461	2.4
139.00397	3.2
139.04085	1.2
140.01161	3.0
149.02449	9.1
151.00365	21.8
151.03979	3.2
152.01082	1.8
153.01949	15.4
154.62726	1.3
161.02536	1.8
163.00359	12.6
165.01878	1.4
167.99329	1.1
168.00627	5.6
169.01430	55.7
170.01872	1.5
175.00401	1.8
175.04018	10.0
176.01140	3.1
177.01952	13.8
178.99867	5.9
181.01431	2.5
188.04774	1.3
189.05588	2.5
191.03539	1.4
199.02405	1.1
199.03943	5.9
201.01923	1.8
211.02487	7.3
217.05054	7.9
241.05321	5.5
243.02975	1.5
256.03796	1.3
257.04483	2.1
259.06189	1.8
271.04755	4.8
275.05713	6.4
284.03271	8.4
285.04037	30.0
286.04282	1.9
295.04819	1.6
299.05777	2.2
303.05118	13.3
304.05411	1.5
313.05664	44.9
314.05969	1.9
439.08871	7.7
465.06876	9.0
465.12607	2.2
466.07663	5.1
467.08206	2.9
477.07086	4.2
493.06082	5.5
495.07962	2.4
589.11890	17.5
599.10443	43.3
599.19672	2.5
600.10693	6.5
617.11615	60.7
618.11609	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	615.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88411	0.6
59.91846	0.6
60.30832	0.6
94.38795	0.7
96.96022	0.8
104.08580	0.6
137.02475	0.8
138.17325	0.6
147.04469	0.7
161.02403	1.1
173.02365	1.2
175.04002	0.7
189.01981	3.8
190.02699	9.0
191.03499	2.9
203.03543	0.9
217.01424	23.3
218.02180	11.6
219.02940	2.4
245.00905	35.1
245.99547	0.7
246.01678	53.7
247.02463	100.0
248.02821	5.4
259.02502	0.7
281.14618	0.6
341.17993	0.6
408.06900	4.4
409.07758	98.9
410.08157	8.0
423.80206	0.7
428.24918	0.7
453.06720	0.9
468.17917	0.7
571.13074	15.0
572.13318	2.4
608.88678	0.7
615.11981	36.5
616.12292	4.4
644.85919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86060	2.2
66.45428	2.2
69.70506	13.9
70.43030	2.5
71.01392	2.4
78.95901	2.8
83.86493	3.3
83.90310	2.6
85.02959	3.6
93.03462	4.5
93.90183	2.7
95.90950	2.3
96.96021	5.9
98.20663	3.0
101.02426	2.5
108.02177	57.9
109.02967	14.2
115.64632	2.5
123.00874	3.4
125.02452	2.6
133.03152	2.9
137.02466	8.4
140.14395	2.4
152.01160	55.0
153.01958	17.9
163.43259	2.3
169.01355	4.8
211.02388	2.3
245.01056	3.6
246.01579	5.7
247.02458	7.6
253.01981	2.6
300.99915	3.0
313.56842	2.4
315.07208	100.0
316.07455	3.1
390.86838	2.7
409.07742	6.7
544.86420	2.8
615.11700	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	615.0989
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
59.01373	1.2
61.98833	2.4
61.99115	0.6
62.62230	0.6
63.02385	1.0
65.00330	1.5
66.95884	0.5
70.20213	2.0
71.01397	0.5
83.01367	0.7
95.01365	0.8
96.96023	1.9
100.00364	0.5
101.02496	0.5
107.01407	4.2
108.02176	0.9
109.02962	1.2
116.91241	0.5
121.02962	2.9
123.00853	1.3
125.02463	4.8
135.00818	0.7
137.02438	0.7
148.01675	0.8
149.02428	0.8
151.00366	15.6
152.00826	0.5
163.00377	1.6
169.01416	5.5
175.04018	0.5
178.99881	5.6
192.00638	0.7
203.03423	0.6
204.10283	0.5
211.04124	0.7
215.03549	0.6
227.03410	1.9
229.04953	0.7
243.03009	5.6
245.04538	0.9
254.02188	1.5
255.02968	17.0
256.03329	1.5
271.02457	35.8
272.02890	3.0
273.03958	0.9
275.01959	0.7
283.02374	1.0
299.02124	1.1
300.02737	73.0
301.03479	51.5
302.03882	3.2
313.05472	0.6
463.08786	100.0
464.09143	8.8
538.57141	1.1
615.10590	3.8
615.22308	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	615.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33154	1.2
53.45889	1.2
53.46130	1.5
70.85699	1.2
91.30357	1.2
98.19878	4.0
104.30080	1.3
104.78630	1.2
107.01361	4.0
109.02956	2.5
121.02945	1.5
123.00908	1.2
125.02446	14.1
125.59322	1.4
128.74190	1.3
151.00359	14.0
160.24660	1.4
163.00325	2.8
164.01062	1.3
167.84454	1.5
169.01430	14.8
178.99876	6.2
226.02786	1.5
243.02907	8.4
255.02986	25.8
271.02444	47.1
272.02884	4.5
283.02365	3.2
299.02051	1.4
300.02734	100.0
301.03473	44.6
302.03812	2.9
313.05609	4.9
372.39798	1.5
463.08829	47.3
464.09119	4.9
560.57745	1.4
615.09906	93.4
616.10162	16.8
637.23334	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	615.0998
Annotation	Quercetin 3-(6''-galloylgalactoside)
Peak:m/z	Relative Intensity
58.43420	0.7
58.76633	0.7
59.01369	2.0
61.98831	5.5
62.48212	0.6
63.02397	1.4
65.00331	2.2
67.01881	0.7
68.99821	0.9
71.01376	1.6
79.01891	1.0
83.01399	2.9
85.02935	1.4
88.98806	1.9
95.01385	1.7
96.95998	2.1
97.02989	0.9
98.20778	1.5
99.00893	0.8
101.02454	1.8
107.01397	8.0
108.02198	1.0
109.02958	2.0
110.37405	0.7
111.00883	1.6
113.02453	2.6
114.67128	0.7
115.83626	0.7
121.02954	2.9
123.00901	5.8
123.04522	0.7
124.01677	1.8
125.02447	27.0
127.00378	1.6
135.00812	0.7
135.04478	0.8
136.98807	1.3
137.02414	1.1
139.00380	2.4
139.04012	1.8
140.01176	3.4
148.01686	1.1
151.00374	21.2
161.50259	0.7
163.00368	2.6
164.01138	1.0
165.01895	1.3
168.00633	3.2
169.01430	30.9
170.01697	1.3
175.03954	1.0
178.99861	10.8
179.03410	0.8
186.21469	0.7
211.02408	1.5
211.04201	0.8
215.03212	0.7
218.07507	0.7
221.50377	0.7
226.02707	0.8
227.03470	1.6
229.53784	0.8
243.03033	7.8
245.04622	1.1
246.45030	0.9
253.80022	0.8
254.02214	2.1
255.02985	20.2
256.03238	1.3
270.10983	0.7
271.02438	42.8
272.02905	4.5
273.03983	1.2
299.02060	1.4
300.02756	77.1
301.03476	36.3
301.06436	0.9
302.03778	1.5
313.05676	17.5
314.06354	0.7
331.06644	1.0
331.30975	0.9
343.04724	0.9
463.08813	25.8
464.08920	1.6
525.23218	2.4
538.56696	0.9
553.19165	4.1
615.09894	100.0
615.23029	4.3
616.10120	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	615.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64452	0.3
63.02388	3.1
65.00325	5.3
69.30970	2.3
79.38622	0.3
83.01389	4.0
91.01899	0.4
93.03455	1.6
98.20625	0.6
107.01390	11.8
109.02946	2.0
119.01402	0.3
121.02957	10.0
122.00706	0.3
125.02431	0.7
131.22636	0.3
137.02419	0.3
139.04033	0.6
149.02426	1.6
151.00368	42.1
152.00706	1.0
159.04480	0.6
161.02528	0.5
163.00357	1.9
163.03987	0.7
164.01128	0.6
165.01906	0.4
169.01437	1.1
171.04463	0.4
175.03902	0.6
178.99857	18.2
180.00208	0.7
183.04550	0.5
187.03952	0.4
187.05450	0.3
189.05702	0.3
192.00601	0.6
193.01373	0.9
197.04459	0.3
201.05566	0.7
211.03954	0.9
227.03516	1.0
229.05038	1.2
231.03107	0.3
239.03592	0.5
243.02966	0.5
245.04552	1.2
255.03017	1.8
257.04770	0.5
258.53510	0.3
271.02545	1.4
273.04080	2.4
283.02423	0.9
299.02115	0.3
300.02841	1.5
301.03519	100.0
302.03845	6.7
313.05649	1.4
461.39667	0.3
463.08963	1.3
584.84351	0.3
615.09875	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	615.099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91839	0.8
65.00330	1.6
71.01373	1.5
71.89489	1.0
75.41898	1.0
84.56287	1.1
107.01368	6.7
108.02175	1.2
121.02938	2.0
123.00894	3.0
125.02450	17.0
135.00853	1.4
139.00334	1.7
148.01653	1.7
151.00360	13.5
163.00371	2.3
164.01099	1.2
164.89632	1.2
169.01428	18.1
178.99892	5.9
214.64369	1.1
227.03522	2.3
243.03069	4.7
247.27606	0.9
254.02223	1.4
255.02980	21.6
271.02457	44.4
272.02979	4.4
273.04105	1.1
283.02405	1.8
300.02753	100.0
301.03458	40.3
302.03824	3.0
313.05716	4.6
426.32190	1.0
460.49646	1.3
463.08841	53.9
464.09286	4.9
615.09888	81.2
616.10333	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	613.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05700	0.6
59.01378	5.0
61.98834	3.8
67.01901	1.1
69.03449	0.8
69.21113	1.6
69.21524	4.5
71.01378	7.8
72.99293	1.2
73.02946	1.4
74.05527	0.6
79.01909	1.5
83.01408	1.4
85.02965	2.2
88.98808	1.5
89.02449	1.4
91.38705	0.6
95.01382	3.4
96.99338	0.7
97.02962	1.7
97.95565	0.6
98.19820	0.9
99.00906	0.6
101.02435	2.0
107.01395	9.6
108.79934	0.6
109.02957	1.1
110.00108	0.6
111.00883	2.5
113.02454	2.5
121.02945	1.2
123.00890	19.0
124.01705	2.4
125.02445	58.0
126.02793	1.9
127.00433	0.9
131.03474	1.7
136.98820	1.3
137.02422	1.8
139.00377	7.3
139.04016	1.8
140.01167	4.5
141.01949	2.7
149.02444	1.8
151.00369	17.8
151.04018	1.2
153.01907	1.5
161.02472	0.8
165.01898	1.3
166.99850	2.5
167.03514	2.0
167.10745	1.4
168.00644	6.4
169.01424	100.0
170.01724	3.8
179.03450	1.1
181.01501	0.7
185.11859	1.0
193.01413	5.7
209.11769	1.5
211.02481	7.3
223.02461	7.5
241.03528	19.2
242.03992	1.4
283.04593	13.4
284.03210	3.7
285.03818	0.8
299.02283	1.4
299.05582	5.9
300.05536	0.7
301.05661	18.5
302.05969	0.9
322.47983	0.7
341.05023	2.4
342.05865	2.3
343.06671	59.0
344.06943	3.5
373.07724	25.1
374.08224	1.7
385.07727	5.7
402.08032	1.2
403.08804	44.8
404.09055	2.5
427.08765	5.8
445.09842	95.8
446.10175	8.4
461.10455	1.1
463.10889	18.0
463.17419	0.9
464.11404	1.6
477.10349	1.2
583.21362	0.7
613.24506	5.9
614.25800	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37119	0.6
55.01874	0.9
55.19970	0.6
57.03444	0.6
59.01370	3.8
60.99313	0.7
61.98832	10.0
65.00361	0.5
67.01884	0.8
69.03466	1.6
69.79858	3.1
71.01382	7.2
71.53553	0.5
72.99323	1.0
73.02970	0.8
75.91613	0.6
79.01894	1.2
83.01381	1.5
85.02953	1.9
87.00871	1.1
88.98824	3.7
89.02460	1.5
93.03474	0.7
95.01372	1.8
96.96023	1.1
97.02966	2.1
99.00878	1.0
101.02466	2.2
107.01388	10.0
109.03011	0.9
111.00865	1.3
113.02463	2.4
121.02965	1.1
123.00883	10.6
124.01658	1.2
125.02448	73.3
126.02777	1.3
127.00433	0.9
136.98833	1.0
137.02463	2.5
139.00349	3.3
140.01172	2.3
141.01927	1.1
146.78654	0.6
151.00356	9.8
151.01440	1.0
151.02608	0.6
151.04001	1.0
153.01929	1.5
154.67857	0.6
161.02513	0.7
163.00349	0.5
163.03957	0.7
165.01924	3.2
166.99796	1.0
168.00652	4.4
169.01424	85.6
170.01797	3.1
174.31155	0.5
179.03401	1.0
180.04375	0.8
183.03067	0.8
195.06653	1.8
203.03442	0.7
211.02388	2.4
227.03471	3.7
241.03453	4.0
253.03581	1.1
255.02979	12.6
256.03613	1.1
271.04562	0.8
280.17047	0.6
283.02496	16.3
284.03232	9.4
285.03922	2.2
298.04825	9.6
299.02261	0.8
299.05539	8.0
313.05649	27.4
314.06100	1.4
385.04791	0.7
451.53635	0.7
461.05328	2.4
461.10956	3.7
461.55591	0.9
465.06812	1.8
469.04947	1.1
523.21356	1.4
551.25079	0.6
613.11963	100.0
614.12292	11.4
622.33856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
60.99304	11.3
61.98835	2.1
64.73708	0.8
71.01381	1.9
85.02958	1.1
88.98804	64.0
95.01404	1.7
98.20763	1.6
101.02457	1.1
107.01417	2.3
111.00834	0.8
113.02369	0.7
113.91550	0.7
123.00887	8.5
124.01706	0.8
125.02440	11.7
136.98795	0.8
139.00359	3.5
140.01245	1.3
141.01888	0.9
151.00348	5.5
168.00592	2.2
169.01422	14.6
211.02386	0.7
255.03120	1.6
284.03348	2.1
313.05573	1.1
319.59772	0.8
469.75290	0.9
523.21832	100.0
524.15228	0.9
524.22272	10.7
613.23346	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.4
57.03465	0.3
59.01109	0.4
59.01383	5.2
61.98829	4.1
67.01899	1.1
68.99825	0.5
69.03453	1.4
71.01387	8.2
71.52660	0.4
72.99318	1.4
73.02959	1.0
79.01895	1.7
81.03481	0.7
82.53626	0.3
83.01394	1.1
85.02969	2.3
87.00887	0.7
88.98800	0.7
89.02457	1.2
93.03479	0.4
95.01392	3.3
95.06429	0.3
96.96023	0.5
96.99297	0.5
97.02953	2.1
99.00889	1.0
101.02456	1.6
107.00861	0.2
107.01393	10.1
109.02972	1.0
111.00898	2.3
113.02470	2.2
121.02991	0.9
123.00887	17.6
123.04520	0.8
124.01664	1.6
125.02453	52.6
126.02764	1.7
127.00397	1.0
131.03551	1.6
135.04518	0.6
136.98816	1.2
137.02475	1.3
138.03215	0.4
139.00380	8.2
139.04037	0.5
140.01178	4.2
141.00916	0.4
141.01895	2.1
149.02477	1.5
151.00372	17.3
151.04016	1.3
152.00809	0.5
153.01955	0.7
154.99872	0.4
155.03508	0.4
161.02466	0.5
165.01923	1.0
166.02739	0.4
166.99812	3.1
167.03526	1.3
167.10783	1.8
168.00641	6.2
169.01424	100.0
170.01752	3.2
171.10313	0.4
179.03474	1.0
181.01454	1.0
183.02997	0.6
191.05927	0.3
193.01389	4.7
205.01395	0.8
209.11789	0.6
211.02481	6.8
223.02449	7.7
224.02934	0.5
225.04054	0.6
235.02472	0.4
241.03531	19.0
242.03883	1.0
253.03468	0.4
253.09413	0.5
255.03160	0.5
265.03259	0.4
283.01663	0.7
283.04617	12.7
285.04117	0.5
297.86511	0.3
298.04718	0.4
299.01990	1.1
299.05435	0.7
300.04993	0.6
301.05652	15.5
302.05933	0.6
314.04211	0.7
315.04840	0.5
341.05127	2.2
341.23279	0.5
342.05988	2.1
343.06689	54.2
344.07068	3.5
373.07739	22.6
374.08087	1.4
385.07764	4.4
401.06982	0.5
402.08002	1.3
403.08789	41.0
404.09213	3.2
409.08017	0.7
427.08859	5.7
428.09222	0.6
445.09854	89.1
446.10181	7.1
461.10669	0.7
463.10916	18.3
464.10870	1.8
477.10211	1.6
553.19318	0.8
613.24310	4.7
613.34381	0.5
614.23450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.5
58.61926	0.3
59.01380	2.1
60.87322	0.4
61.98838	4.0
65.00322	1.0
67.13366	0.4
69.03427	0.4
69.43284	2.7
71.01386	2.0
72.99297	0.6
83.01381	0.6
85.02950	0.7
88.98815	0.9
93.03462	3.9
94.11246	0.3
95.01385	0.7
96.96012	0.5
97.02939	0.9
98.19908	0.8
101.02437	0.8
102.58395	0.3
107.01413	1.9
110.00110	1.9
111.00906	0.7
113.02460	1.0
121.02983	3.9
123.00900	3.4
123.04505	0.3
124.01787	0.4
125.02457	6.7
126.02777	0.5
132.62241	0.4
134.00131	0.6
136.98837	0.9
137.02451	0.7
139.00352	1.7
140.01161	1.4
141.01801	0.4
145.02983	0.5
151.00375	3.6
153.01830	0.5
163.00372	2.5
163.04079	0.4
165.01941	13.3
168.00638	1.9
169.01428	9.7
170.01775	0.6
178.02711	0.9
183.04482	0.4
200.04814	1.0
211.04001	1.1
212.04788	1.1
227.03494	18.8
228.04260	3.2
239.03481	0.7
240.04276	2.4
243.06609	2.7
255.02995	23.3
256.03677	6.5
271.06128	9.9
272.06485	0.7
283.02396	0.6
284.03271	23.2
285.03699	1.2
299.05618	100.0
300.05960	5.8
313.05661	31.6
314.06091	1.5
343.06366	0.4
378.45810	0.4
381.15402	0.4
445.09854	0.9
446.10132	1.0
447.10501	0.8
461.10477	0.4
562.99951	0.5
613.11884	1.3
613.32404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24707	54.6
56.58329	58.6
61.42363	57.2
94.46741	68.1
98.20711	100.0
119.61026	67.1
142.15724	68.7
157.65390	63.6
168.43195	59.4
175.23825	52.3
201.83430	73.8
204.26648	57.7
279.14996	62.3
406.41449	81.9
579.29315	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.9
59.01369	4.0
61.98828	24.2
65.00317	2.4
70.52367	3.2
71.01376	1.9
83.01382	2.1
88.98812	3.5
91.82291	1.0
95.01411	1.1
96.96017	2.1
97.02965	1.0
101.02489	1.1
107.01402	4.4
108.02181	1.6
109.02964	5.0
113.02471	1.4
119.05067	1.3
121.02943	2.0
123.00871	3.1
125.02445	49.6
126.02785	1.3
135.00955	1.3
137.02487	1.5
139.00360	1.8
140.01114	1.9
145.02962	4.0
148.01733	1.1
149.02448	2.7
151.00375	12.8
153.01933	3.3
163.00363	1.8
163.04092	1.6
166.99825	1.1
168.00650	2.9
169.01424	16.6
178.99872	5.1
181.05135	1.2
199.03998	1.3
201.05450	1.0
211.02475	4.4
226.02621	1.5
227.03441	5.8
228.71162	1.1
229.04918	1.2
243.02974	14.2
245.04524	1.5
246.54335	1.2
254.02193	2.3
255.02980	31.3
271.02420	62.4
272.02945	6.1
280.13815	1.1
283.02466	1.1
284.03284	3.4
285.04129	3.9
297.06210	1.6
299.02039	2.9
300.02719	100.0
301.03445	29.0
302.03848	2.5
315.05069	2.6
433.11508	1.1
461.05560	3.2
463.08865	14.0
464.09235	1.7
482.84045	1.2
523.22168	4.5
533.12982	16.4
534.13354	2.5
538.06818	2.9
613.12122	69.6
613.22241	11.8
614.12189	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	609.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
57.03433	3.9
57.77089	0.8
58.00589	2.5
59.01378	58.5
60.99306	14.9
61.98587	0.8
61.98837	8.8
68.99838	1.0
69.03436	1.1
70.80169	1.9
71.01382	100.0
72.01707	1.6
72.99303	3.7
73.02946	10.1
75.00873	1.7
81.03468	1.7
83.01383	6.9
85.02947	27.1
87.00868	11.0
88.00406	1.6
88.98807	96.5
89.02443	47.6
93.03465	1.3
95.01384	6.6
96.96020	2.3
97.02905	4.2
99.00903	6.4
101.02442	45.3
107.01409	2.9
108.02161	0.8
109.02946	1.7
111.00858	2.5
113.02453	35.2
114.02892	1.0
119.03503	18.5
123.00890	1.4
123.04497	1.3
125.02445	12.8
129.01909	1.5
131.03500	27.4
133.02928	4.8
135.00931	0.8
135.04523	4.2
137.02460	2.0
138.55577	0.7
139.00444	0.8
140.01143	1.3
143.03490	7.3
145.02924	0.9
149.04570	8.2
151.00369	3.4
156.05719	0.9
159.03026	2.0
161.02475	9.7
161.04546	13.7
167.03493	0.8
169.01411	12.0
170.01797	1.3
173.04544	1.3
179.03517	2.6
179.05600	19.0
183.13898	1.3
186.69553	0.8
191.05588	8.5
211.13385	18.5
212.13725	2.2
215.03445	0.8
221.04793	1.1
221.06644	23.1
227.03500	1.7
229.04979	1.2
233.06648	11.9
235.08205	1.2
241.05013	0.9
243.02954	2.0
255.02983	6.8
256.03574	1.0
257.04495	1.5
271.02393	7.1
272.02942	1.0
275.07755	0.9
284.03250	4.5
285.04041	46.6
286.04355	3.6
293.08688	6.4
300.02689	13.9
301.03418	4.3
311.09808	1.5
315.18045	1.1
323.07718	12.8
324.07956	1.1
353.10895	41.8
354.11221	2.8
359.22427	0.9
397.13425	8.5
415.14548	4.3
416.65585	0.8
417.24966	1.5
447.09109	2.8
447.22430	5.3
463.08743	2.8
464.97565	0.9
477.30447	1.1
609.12976	17.6
609.27460	17.7
610.13275	4.8
610.27692	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	610.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51036	0.4
52.78722	0.4
61.98831	100.0
71.51591	0.5
85.91599	0.4
89.12859	0.4
95.10876	0.4
96.96010	0.4
99.49087	0.4
100.19006	0.4
100.76037	0.4
104.44254	0.4
107.01469	0.5
123.00990	0.4
150.60689	0.4
151.00400	0.8
153.01991	0.5
169.01379	0.6
177.89899	0.4
223.09769	0.5
227.03510	0.6
255.03024	1.1
256.03467	1.4
271.02600	2.5
272.02704	2.2
275.33365	0.5
300.02811	3.4
301.03162	4.9
302.03894	1.2
310.04990	0.8
317.10327	0.7
347.09619	0.7
378.31009	0.4
385.14960	0.5
473.11053	0.6
610.14807	8.3
611.14240	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	611.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.7
59.01382	5.4
61.98831	6.2
67.01889	1.4
69.03467	1.1
69.97385	0.6
71.01382	7.8
72.99298	1.3
73.02930	1.2
75.00873	0.6
79.01908	1.0
81.03438	0.8
85.02950	1.9
87.00860	1.0
88.98833	2.2
89.02425	2.0
93.75759	0.6
95.01397	2.9
97.02946	1.3
99.00871	0.8
100.61372	0.6
101.02430	1.7
107.01397	8.6
108.41831	0.7
109.02941	1.2
111.00912	1.6
113.02436	2.2
123.00882	14.6
124.01687	1.5
125.02448	45.2
126.02805	1.0
136.98776	1.7
137.02423	2.0
139.00388	7.4
140.01138	3.0
141.01944	1.6
149.02429	1.3
151.00366	14.1
151.03902	0.8
152.00728	0.8
153.01997	1.0
163.03964	0.8
165.01907	1.6
166.99860	2.5
167.03456	2.1
168.00658	7.6
169.01422	81.0
170.01752	2.2
173.93216	0.6
179.03525	1.1
181.01450	1.3
193.01425	5.8
195.06662	0.9
211.02507	4.8
223.02466	6.7
223.09766	0.8
223.13409	1.0
229.78102	0.8
241.03529	14.4
265.03464	0.7
283.04581	11.2
301.05637	16.3
301.08914	1.2
341.05264	3.4
342.05875	2.1
343.06686	48.2
344.07040	2.8
373.07748	13.6
374.07782	1.2
375.21579	1.3
385.07761	5.2
401.07217	0.7
402.07837	1.1
403.08798	23.5
404.09271	1.4
409.07709	0.7
427.08701	5.9
445.09857	100.0
446.10129	7.0
460.06577	1.1
463.10880	8.8
491.15704	1.4
521.16479	0.9
551.17627	1.8
611.19879	2.1
611.32294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2683
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
59.01379	7.5
61.26826	1.4
61.98829	24.9
71.01374	5.1
71.43356	1.3
71.50999	1.9
77.04361	1.4
78.95904	55.8
78.98520	1.7
80.96503	5.1
82.96107	1.7
85.02922	1.6
89.02413	2.4
90.67805	1.5
94.98054	1.9
96.95994	1.5
96.96960	10.7
101.02432	3.4
119.91525	1.5
120.28040	2.0
121.72970	1.7
122.54977	1.8
125.02397	1.8
152.99583	61.8
167.94832	1.5
169.01353	2.1
171.00665	2.5
195.13882	9.5
205.12244	2.0
209.11777	2.1
211.13385	11.8
216.42166	1.6
223.00206	7.1
223.13383	5.1
241.01225	19.6
259.02075	2.2
271.02396	5.9
275.20160	3.5
293.21240	35.3
300.02829	8.6
315.04996	8.7
328.52274	1.7
397.13565	3.3
485.76917	1.8
577.26025	2.4
609.14807	6.2
609.26617	100.0
610.17664	1.7
610.26758	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	609.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.8
57.03447	1.0
58.00590	0.9
59.01378	28.4
61.98830	4.3
65.00332	0.9
69.03465	1.7
71.01381	23.7
71.51914	0.8
71.86600	0.5
72.99305	1.8
73.02965	3.3
73.60768	0.4
81.03454	0.7
83.01387	3.5
85.02948	5.8
87.00880	7.5
87.01396	0.9
88.00442	0.6
88.44075	0.5
88.98798	2.6
89.02444	21.3
95.01397	1.7
96.95972	0.6
97.02931	3.1
99.00903	1.5
101.02438	15.7
107.01387	2.6
108.02214	0.6
109.02940	1.6
111.00893	0.6
111.04512	0.9
113.02442	8.4
114.24997	0.6
115.04054	0.6
117.03439	0.5
119.03495	6.0
121.02934	1.1
123.00867	1.2
124.01659	1.2
125.02451	8.4
125.34703	0.5
126.02850	0.5
131.03520	5.6
137.84024	0.5
139.04048	0.5
141.01912	0.7
143.03450	2.9
145.02998	1.2
148.01581	0.8
149.04546	6.1
151.00359	6.6
161.02444	1.4
161.04506	3.7
163.00336	1.3
163.04073	0.5
164.01141	0.7
165.12712	0.5
167.14484	0.6
169.01419	5.5
169.05113	0.5
178.99925	2.8
179.05621	4.5
179.10706	0.7
183.13910	7.0
188.04593	0.5
191.05614	3.8
193.12311	1.9
199.05956	0.6
201.01884	0.6
211.13383	100.0
212.13747	4.7
221.06631	1.7
227.03477	2.1
235.08235	6.6
243.02940	4.7
245.04430	1.0
251.07622	0.7
253.09309	1.6
254.02187	1.1
255.02977	12.9
256.03098	0.7
263.07758	0.7
271.02448	24.9
272.02902	2.7
284.03214	1.9
285.04031	2.5
287.07614	1.1
300.02744	43.2
301.03452	19.6
302.03812	1.9
305.08807	2.3
397.13486	47.5
398.13828	2.5
415.14545	23.1
416.14941	1.0
417.24805	1.4
447.09753	0.8
447.20255	1.6
463.08835	26.5
464.08984	3.4
549.29108	1.1
571.28375	0.6
573.29071	1.0
609.12592	21.1
609.27753	4.0
610.12952	4.2
610.28564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05209	0.8
55.18176	0.8
57.03434	2.1
58.00587	2.1
59.01380	31.7
60.99305	6.3
61.98547	0.9
61.98829	15.6
65.00314	1.4
69.03453	1.7
69.44054	6.0
70.49182	0.8
71.01384	30.7
72.99293	2.9
73.02943	6.3
78.95893	1.1
81.03459	1.6
83.01392	4.8
85.02950	8.3
87.00874	11.3
88.00381	2.6
88.98805	42.4
89.02440	30.0
93.03458	2.1
95.01368	3.3
96.95995	1.1
97.02929	3.5
99.00857	2.4
100.58785	0.7
101.01801	1.3
101.02440	24.9
107.01399	4.2
108.02156	3.9
109.02924	3.2
111.00848	1.4
111.04498	1.2
113.02459	12.3
117.03458	1.3
119.03516	7.8
119.05000	1.8
121.02879	2.5
123.00847	3.1
123.04488	1.2
124.01631	0.8
125.02444	16.1
131.03485	6.9
133.02946	4.9
135.00885	1.4
135.02902	0.9
135.04536	4.9
137.02396	3.1
139.00328	2.0
139.04030	1.3
141.04999	0.8
141.91254	0.9
143.03442	3.4
145.02849	3.0
149.02336	0.9
149.04553	6.6
149.05643	1.1
151.00365	12.1
151.04095	1.0
152.01151	4.9
153.01910	1.5
159.04404	1.3
161.02448	11.2
161.04541	4.6
163.00323	2.8
165.01840	1.0
168.00513	1.4
169.01405	11.5
171.04289	1.1
178.99802	3.5
179.03406	3.5
179.05548	3.3
179.10728	1.9
183.13881	8.0
187.03906	1.0
191.05548	3.9
192.00519	0.9
193.01323	1.3
193.12300	2.3
199.03929	1.1
201.01851	1.0
211.04137	1.0
211.13391	100.0
212.13649	5.3
213.05566	0.9
227.03546	6.4
229.04964	3.6
235.08231	7.6
236.08557	0.8
243.02948	8.2
244.03615	1.0
253.09143	1.6
254.02052	2.2
255.02969	22.0
256.03436	1.6
257.04474	2.6
263.07623	1.3
271.02451	37.8
272.02805	3.2
278.56265	0.9
284.03253	5.6
285.00974	1.8
285.04047	35.1
286.04227	3.1
287.07858	1.7
300.02744	60.7
301.03452	31.2
302.03979	1.6
305.08691	1.9
323.07571	7.7
331.06564	1.4
359.22339	1.4
397.13510	49.7
398.13580	1.9
415.14560	24.2
416.14926	1.3
417.24734	1.6
447.09018	2.8
447.20044	3.0
453.48059	0.8
459.29459	1.2
463.08813	31.9
464.08963	4.5
477.30621	5.8
521.16663	1.0
573.29639	3.2
609.12482	38.7
609.27209	8.0
610.12341	5.0
610.27539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31132	0.6
60.48192	0.6
61.45331	0.5
65.00314	1.2
83.01403	0.5
85.65958	0.7
95.85236	0.6
107.01405	3.3
108.02153	1.5
109.02943	1.9
119.01437	0.6
121.02966	1.7
125.87535	0.6
135.00882	1.8
148.01662	1.5
151.00362	13.5
163.00325	2.8
164.01181	0.9
169.01448	0.6
178.99876	6.4
192.00586	0.9
199.04018	0.6
211.03963	0.7
226.02664	1.6
227.03523	3.7
229.04927	1.1
243.02992	11.8
244.03485	1.1
245.04442	1.4
254.02112	2.9
255.02985	28.7
256.03448	1.9
271.02472	63.7
272.02933	5.2
273.04184	0.6
283.02390	1.0
284.02951	0.6
299.02063	1.5
300.02737	96.7
301.03467	37.5
302.03876	1.6
343.04636	0.9
609.14581	100.0
610.14923	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	609.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08737	0.6
70.15669	2.9
70.30616	0.7
70.65649	0.8
85.91442	0.8
86.73813	0.7
90.29191	0.8
91.80110	0.7
93.03470	2.9
96.95974	1.3
98.19986	1.1
107.01369	1.7
113.02483	0.8
117.03432	0.8
125.02462	1.2
151.00360	4.1
153.01961	0.7
159.04459	0.8
161.80168	0.7
163.03984	1.3
167.04895	0.8
169.01442	1.1
171.04561	0.9
183.04427	3.4
187.03889	1.2
191.05609	6.9
211.03979	2.8
215.03497	0.9
227.03436	7.7
229.05075	1.0
255.02979	55.9
256.03400	3.1
257.04416	0.7
269.04309	1.4
283.02466	100.0
284.03113	19.5
285.04034	84.1
285.80765	0.8
286.04337	5.0
297.03995	1.5
299.99139	0.9
327.05042	4.6
337.09158	2.1
381.35648	0.8
446.08514	19.1
447.09299	66.9
448.09518	5.2
482.21686	0.8
489.10385	4.5
531.11627	1.0
609.14594	49.3
610.15002	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	609.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
55.93034	1.0
58.00594	1.5
58.08893	1.0
59.01381	31.1
60.99319	6.3
61.98837	1.2
62.40801	0.9
71.01386	17.5
72.99299	2.0
73.02975	1.2
79.01894	1.8
79.07639	1.0
83.01406	1.7
84.89973	0.8
85.02947	4.0
88.98809	37.6
89.02450	16.5
95.01397	3.8
97.02955	1.9
99.00928	1.1
101.02460	12.4
107.01391	6.8
109.54659	0.8
111.00883	3.4
111.04578	1.4
113.02457	6.4
119.03508	6.1
123.00896	11.5
123.08149	2.2
125.02448	32.9
125.03342	2.0
127.00391	1.0
133.91624	1.2
136.98781	1.3
139.00403	4.6
140.01141	3.1
141.01958	1.2
143.03539	1.2
151.00340	5.8
153.26755	0.8
163.04089	1.0
164.01262	0.9
168.00635	6.5
169.01430	38.2
171.11774	1.2
179.05618	1.6
183.31213	0.9
189.12863	5.9
194.99374	0.9
207.59608	1.4
211.02477	31.5
212.02846	1.4
232.41458	1.1
233.11806	2.3
243.32324	1.0
255.02953	1.6
271.04654	32.5
277.10822	2.6
300.02722	7.3
301.03510	1.2
313.05612	1.4
323.05057	0.9
331.06860	2.3
429.08521	1.9
457.17148	46.5
458.17648	4.1
521.20251	3.9
565.19208	35.0
566.19739	4.1
591.17291	5.5
609.18311	100.0
610.18616	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	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01342	1.1
71.51479	0.6
93.03448	1.3
93.45886	0.7
107.01411	1.0
114.94528	0.6
117.03472	1.5
117.97232	0.7
119.01385	0.7
124.60374	0.6
125.02431	1.7
145.03017	0.7
149.02412	0.7
151.00360	3.8
155.04933	0.7
159.04593	1.0
165.01854	0.8
169.01399	1.5
183.04469	3.1
185.02528	0.7
187.04039	0.9
190.80986	0.7
194.27258	0.7
197.80682	0.6
211.04008	2.8
227.03465	12.0
228.03856	1.0
229.05089	1.1
239.03532	0.7
241.05182	1.0
241.21069	0.8
255.02965	55.2
256.03448	4.9
257.04453	0.8
283.02451	100.0
284.03165	26.2
285.04007	53.2
286.04202	3.7
296.58804	0.7
297.04004	2.1
298.04553	0.7
298.98584	0.8
299.99054	1.8
300.99731	0.9
313.03281	1.5
326.03976	1.7
327.05017	1.9
397.05658	1.1
429.08319	2.1
446.08499	16.3
446.14294	1.2
447.09277	96.6
448.09671	7.2
489.10303	11.2
609.14612	35.0
610.15125	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	609.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25716	0.5
55.92322	0.5
60.43851	0.5
65.00321	0.5
83.01395	0.5
98.19855	1.1
107.01401	1.4
108.02176	1.4
121.02956	0.7
135.00900	0.7
148.01656	1.1
151.00359	3.2
164.01155	0.6
178.99863	3.1
199.03955	0.7
205.46271	0.5
211.03976	0.9
213.95753	0.4
226.02713	1.5
227.03441	1.7
243.02997	8.4
244.03441	0.9
254.02275	1.7
255.02983	23.2
256.03394	1.1
271.02475	54.6
272.02988	4.4
299.02045	1.8
300.02744	100.0
301.03345	9.5
393.68222	0.5
394.03741	0.4
609.14581	67.7
610.14911	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	609.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.9
61.98820	4.2
65.00339	1.3
67.01891	0.8
69.17342	4.2
69.17770	2.9
71.01376	6.3
73.02951	1.2
73.04369	0.7
75.43653	0.7
83.01398	2.1
85.02969	1.2
87.00897	1.1
88.98829	2.2
89.02443	4.0
93.03461	2.1
95.01408	0.9
97.02938	1.1
98.19832	1.6
99.00840	1.0
101.02468	3.3
107.01409	3.6
108.74426	0.6
109.02958	1.8
111.88153	0.7
113.02444	2.2
117.03465	0.7
119.03488	1.2
122.17579	0.7
123.00849	0.8
125.02443	4.5
125.65370	0.7
132.02220	1.4
133.02954	13.2
134.03760	0.9
135.00879	1.0
135.04529	25.8
137.02502	0.9
139.00333	0.8
143.05063	1.2
149.06114	1.7
151.00381	7.8
157.06631	1.5
159.04485	2.0
161.02440	47.0
162.02826	1.1
163.00378	3.0
168.00690	0.8
169.01430	4.1
171.00485	0.8
171.04578	1.1
177.05595	3.2
179.03491	16.0
179.04994	1.2
181.05115	2.6
183.13914	1.0
185.06061	2.5
187.03996	3.2
197.06017	1.0
199.03975	1.8
203.03491	1.7
211.04045	3.1
211.13406	15.2
212.04662	1.2
213.05582	2.6
215.03433	0.9
218.05769	1.4
221.04568	3.4
227.03503	21.8
228.03836	1.3
229.05064	8.2
233.08179	1.2
235.08302	1.5
239.03453	1.0
240.04163	0.9
241.05074	1.6
246.83362	0.8
255.02992	37.1
256.03702	4.9
257.04538	6.8
263.05634	0.8
267.02997	1.0
271.04736	1.0
284.03268	37.0
285.04041	100.0
286.04410	7.3
300.02783	3.7
301.03409	1.0
323.07718	27.6
324.08130	1.3
397.13428	6.8
415.14304	3.2
447.09341	4.4
573.29504	1.3
609.12457	90.7
609.26947	5.0
610.12903	11.7
633.67963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.9
61.98828	9.7
63.02407	1.4
65.00332	1.0
67.24877	0.4
69.17806	3.4
69.18233	1.5
71.01382	4.5
73.02957	0.7
78.95924	0.6
83.01395	1.9
84.95126	1.3
85.02961	0.8
88.95160	0.4
89.02462	2.0
93.03471	1.4
94.62196	0.4
95.01357	0.6
97.02930	0.7
101.02428	2.6
107.01387	2.7
107.05020	0.6
108.02168	0.5
109.02958	1.5
113.02460	2.3
117.03453	0.9
119.05065	0.5
121.02942	0.6
123.00880	0.5
125.02429	1.8
130.32962	0.4
131.05016	0.5
132.02158	1.1
133.02959	14.5
134.03748	1.3
135.00870	1.5
135.04526	21.4
136.04842	0.7
137.02449	0.9
143.03514	0.4
143.05008	0.5
149.06108	0.6
151.00365	6.2
159.04533	1.7
161.02437	45.6
162.02802	1.4
163.00372	1.6
164.01077	0.4
165.01843	1.2
167.04967	0.6
169.01433	2.1
169.06569	0.9
171.04573	0.8
177.05598	1.4
179.03502	14.8
183.04466	0.6
183.13832	0.5
185.06050	1.8
187.04008	2.4
189.05583	1.3
196.05145	0.6
197.06149	0.6
199.04063	0.9
201.05504	0.6
203.03557	0.8
211.03992	1.9
211.13368	5.9
213.05589	1.6
213.73611	0.5
214.66966	0.4
215.03563	0.5
221.04543	1.3
227.03482	14.1
229.05058	9.0
235.08180	0.7
239.03459	1.3
240.04343	0.6
241.05125	1.8
243.02939	0.7
251.05428	0.5
255.00201	0.9
255.02957	21.2
256.03632	2.6
257.04550	5.8
271.02353	2.2
284.03259	24.2
285.04025	100.0
286.04431	5.5
300.02673	2.4
301.03433	0.7
314.04361	1.2
315.05176	2.8
323.07690	38.2
324.08032	2.0
397.13364	2.8
415.14520	1.6
417.24686	0.5
447.09201	3.9
477.10422	0.7
609.12421	55.0
610.12720	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	607.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54826	2.6
57.03431	4.9
59.01381	100.0
61.98839	35.8
69.22816	28.9
69.34545	2.5
71.01379	29.4
72.99306	3.6
73.02941	9.5
75.81518	3.0
76.34552	2.5
78.95908	11.4
83.01380	5.9
85.02959	14.3
86.68705	2.6
87.00878	7.5
88.98801	5.7
89.02431	15.3
95.01386	5.1
96.96036	3.7
97.02940	3.3
98.20719	5.4
99.00902	6.1
101.02438	18.9
104.77522	2.6
107.01371	3.2
111.00862	3.5
112.01556	2.5
113.02455	19.0
123.00882	5.3
124.01769	3.3
125.02436	24.9
131.03499	3.4
137.02466	3.0
137.62276	2.9
139.00369	2.9
140.01196	5.7
143.03448	4.7
149.04524	5.8
151.00331	4.6
161.04514	3.6
161.94511	2.8
168.00644	6.1
169.01404	23.0
175.87575	2.5
186.60115	2.7
201.02124	3.3
201.14938	2.9
209.11774	8.6
211.02425	6.8
227.03502	4.8
255.02995	14.3
271.04633	9.5
283.02539	18.6
284.03189	8.0
285.04117	4.4
298.04776	7.7
299.05490	17.1
300.05759	4.6
331.06714	3.2
359.28131	15.4
379.11011	3.3
401.23257	2.9
409.26062	3.9
431.09500	3.2
475.28802	3.9
503.32260	96.1
504.32516	11.3
521.33331	27.5
522.33398	3.1
545.33722	3.5
607.16547	14.7
607.27179	44.0
608.27374	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	608.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98830	100.0
65.13157	0.2
65.48638	0.2
71.01390	0.9
71.07712	0.2
71.08057	0.3
78.95914	1.5
80.96523	0.6
89.02457	0.4
94.29897	0.2
101.02477	0.4
104.00968	0.2
115.43517	0.2
125.02447	0.3
130.00734	0.2
211.13507	0.7
221.14401	0.2
243.03139	0.2
271.02625	0.5
300.02844	0.6
518.40607	0.3
609.15875	0.3
609.27246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26241	0.2
59.01366	0.3
61.98829	100.0
69.18543	0.5
69.18949	1.5
71.01391	0.2
78.95934	0.3
80.96537	0.3
88.61687	0.2
89.02444	0.3
103.25528	0.2
123.52641	0.2
124.32740	0.2
193.54085	0.2
209.11757	0.2
482.32553	0.2
609.14697	0.2
609.26965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62829	0.5
57.48844	0.4
59.01371	1.6
61.98830	100.0
63.63142	0.4
71.01403	1.1
71.51170	0.6
73.02940	0.6
76.31567	0.4
78.95923	1.0
80.96532	0.5
89.02470	0.5
101.02493	0.9
113.02452	0.8
114.25327	0.5
125.02455	1.0
152.99591	0.9
168.67448	0.4
169.01514	0.6
193.01471	0.5
209.11879	1.0
211.13454	1.6
235.04050	0.4
255.03079	0.6
271.02472	1.3
296.09097	0.6
300.02823	1.6
353.25385	0.6
369.53391	0.5
372.22791	0.6
390.23856	0.5
416.94855	0.5
430.17691	0.4
439.43744	0.6
551.89075	0.5
608.32867	2.2
609.15082	0.7
609.29443	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20054	0.7
54.47816	0.7
57.03436	0.8
59.01120	0.8
59.01378	10.7
61.98834	7.5
69.03468	1.0
71.01377	6.7
71.51954	1.3
72.99274	0.8
73.02946	1.3
75.00862	5.1
78.95875	0.8
83.01366	1.7
84.95097	1.2
85.02920	2.8
87.00854	1.5
88.98801	2.3
89.02433	5.0
93.03458	1.0
95.01402	1.1
96.95979	0.9
97.02919	1.0
99.00819	1.6
100.88967	0.9
101.02468	4.0
107.01385	2.3
110.00047	1.2
111.00883	0.8
113.02415	2.4
116.92840	1.0
117.03476	0.9
121.02917	0.8
123.00887	4.5
125.02451	14.0
126.02788	1.3
127.02850	1.0
131.03500	2.0
137.02461	1.5
139.00349	1.6
149.04541	1.6
151.00395	3.9
161.04608	1.0
165.01912	2.6
168.00587	1.4
169.01427	17.4
170.01729	2.6
171.50612	0.8
175.04025	1.0
178.99767	1.3
179.05553	1.0
183.04527	2.3
191.05527	1.2
193.01384	0.9
198.55064	0.7
201.14806	1.1
209.11765	2.3
211.02443	2.3
211.04044	1.9
227.03487	9.9
228.04042	1.0
235.48842	0.7
243.06410	0.9
255.02980	51.7
256.03595	5.5
271.04330	1.5
271.06427	1.1
272.77652	0.8
280.34177	0.8
283.02469	100.0
284.03168	17.9
298.04813	76.8
299.05551	36.1
300.05927	1.6
325.26675	0.9
341.06592	1.6
379.06613	0.9
427.10132	0.9
438.45984	0.8
453.06201	0.8
453.56067	2.2
454.05801	4.1
454.56155	5.3
455.06387	1.5
475.29031	0.9
491.27722	0.8
503.32327	5.7
521.33411	1.2
606.44580	0.9
607.16797	96.0
607.27386	15.6
608.16992	11.1
608.26556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82418	2.1
55.08554	1.9
57.03431	2.1
58.00605	2.5
58.35059	1.9
59.01379	67.8
61.98830	100.0
71.01385	50.3
72.99299	3.8
73.02968	11.0
75.00865	6.0
78.95904	8.8
79.01874	1.9
79.95740	2.5
80.96530	11.7
83.01385	6.0
85.02952	9.7
87.00864	6.3
88.98782	5.6
89.02447	50.3
94.98109	2.8
96.96031	3.5
96.96921	2.5
97.02950	3.5
99.00871	6.4
101.02442	37.7
107.01393	2.1
111.00886	2.7
113.02456	17.6
119.03505	10.0
123.00850	3.0
125.02450	19.3
131.03514	29.4
136.98813	4.0
139.00403	4.6
140.01193	3.1
143.03467	5.8
149.04561	26.9
152.99588	2.4
161.04572	11.2
168.00664	4.9
169.01402	14.5
179.05609	5.0
179.10703	3.0
183.02991	13.9
191.05600	16.7
209.11862	21.6
217.15961	2.8
221.11642	2.2
225.00629	2.2
235.08257	13.9
236.29521	1.8
251.07736	2.2
253.18066	9.6
293.08777	2.3
367.12354	2.6
370.09222	2.1
397.13486	5.3
397.22217	2.9
415.14679	4.0
415.23257	32.3
416.23596	2.4
547.27637	8.4
565.22333	3.3
607.24310	32.4
608.25018	5.4
628.95978	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	606.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08581	0.4
57.66336	0.4
59.01374	1.3
61.98833	100.0
62.11605	0.3
66.07078	0.4
68.42454	0.4
71.01381	0.7
71.08141	0.8
78.95915	1.2
79.95731	0.6
80.96520	2.0
89.02457	0.4
90.88316	0.3
94.98083	0.6
119.03468	0.4
120.57927	0.4
152.80969	0.4
152.99594	1.1
164.98700	0.5
194.74509	0.4
209.11853	0.9
225.00778	0.5
263.71689	0.4
372.25882	0.4
412.88620	0.4
426.38647	0.4
491.63229	0.4
505.84198	0.4
506.64197	0.4
575.25787	0.4
606.38513	0.6
607.23969	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21640	0.6
59.01357	1.9
59.13934	0.5
61.98832	4.2
65.00335	0.8
69.41611	4.8
71.01371	1.6
73.02918	0.7
78.95892	1.1
85.02956	1.2
87.00861	1.1
88.98788	1.8
89.02418	1.0
93.03447	1.0
96.89851	0.6
98.20602	1.3
101.02415	1.3
107.01379	0.9
110.00125	1.4
123.00899	1.4
125.02477	5.5
128.90201	1.1
136.98801	0.7
137.02484	0.7
140.01059	0.8
151.00400	1.7
165.01898	1.8
168.00667	0.9
169.01421	4.5
171.01747	0.5
183.04459	1.8
191.05580	2.5
207.62938	0.6
209.11842	0.8
211.02267	1.1
211.04015	2.3
227.03513	21.1
228.04269	2.8
243.06612	1.7
255.02989	53.1
256.03632	6.4
269.04504	0.9
271.06079	1.7
280.01147	0.7
283.02484	66.6
284.03229	30.7
285.03589	2.1
298.04840	37.0
299.05606	100.0
300.05966	5.5
341.06815	1.4
392.47217	0.6
503.31659	0.7
521.20660	1.0
563.21533	2.1
607.16809	75.9
607.27313	9.9
608.17279	8.9
608.26953	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2245
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
59.01119	0.5
59.01377	6.3
61.98826	5.1
65.00298	0.5
67.01875	0.8
68.99802	0.8
69.03443	0.6
69.76362	0.4
70.51208	1.0
70.51578	0.9
71.01374	4.3
73.02924	1.3
78.95882	0.6
79.01865	1.8
82.95378	0.6
83.01363	1.0
85.02926	1.7
87.00851	0.7
89.02412	2.0
93.03442	0.8
95.01353	2.0
96.95975	0.5
97.02953	1.0
99.00900	0.5
100.70360	0.4
101.02470	2.7
101.40308	0.4
107.00753	0.5
107.01398	8.3
108.02171	4.0
109.02924	0.5
111.00900	3.1
113.02399	2.1
119.03468	0.6
119.05016	0.5
121.02950	3.7
122.03709	1.0
123.00890	15.4
123.04523	0.9
124.01595	1.8
125.02451	40.4
125.12775	0.6
126.02730	1.8
127.00330	1.1
131.03462	0.6
134.03722	0.5
135.04480	0.5
136.98763	1.4
137.02382	1.6
138.99506	0.5
139.00378	5.5
139.03822	0.7
140.01172	3.6
141.01869	1.2
149.04517	0.5
150.99214	0.6
151.00381	10.5
152.99591	0.7
153.01869	0.9
166.99811	0.6
168.00655	5.3
169.01428	49.4
170.01680	2.0
174.58438	0.5
179.03409	0.8
185.51944	0.5
207.02951	0.5
211.02373	1.6
241.03487	1.0
246.16277	2.3
247.16995	6.5
248.17160	0.7
251.16463	1.3
253.03471	0.8
271.04510	1.0
273.14948	2.3
290.15210	5.1
291.15985	6.3
292.16287	0.5
293.20346	0.5
297.06003	1.7
313.05634	9.2
341.47842	0.5
377.04889	0.9
377.54990	0.5
413.21252	0.6
438.82108	0.5
453.05621	3.8
453.55692	0.9
545.28497	0.9
563.29828	0.8
605.22229	100.0
606.22540	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	605.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
60.93450	0.3
70.19640	0.3
72.66940	0.3
106.06593	0.4
125.21265	0.3
233.93304	0.3
413.12921	0.3
415.15289	0.4
416.16531	0.8
427.19254	0.3
429.17245	0.9
430.18039	1.2
443.18887	0.9
444.19012	0.5
455.18784	0.4
456.15552	0.4
457.20920	1.7
458.21109	0.4
459.17493	2.7
460.18970	0.4
461.23761	0.6
470.21008	1.1
471.18158	1.9
472.18872	0.7
473.19702	4.7
474.20294	0.6
475.21317	0.6
485.19620	1.9
485.24017	1.4
486.20682	4.3
487.21265	1.1
496.19000	1.0
497.19885	0.4
499.17365	2.0
501.23929	2.4
502.20172	0.3
511.21313	2.4
512.22266	0.5
513.19177	2.7
514.20111	8.6
515.20459	0.7
517.18878	0.7
518.19415	1.7
519.20245	0.5
528.22156	0.7
529.22449	100.0
530.22760	12.5
532.21124	2.4
533.21753	2.4
561.24969	1.3
573.21527	1.1
573.55139	0.3
605.23889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	0.3
59.28765	0.2
59.32031	0.2
61.98834	100.0
64.24290	0.2
71.01380	0.4
78.95916	0.7
78.98594	0.2
79.95741	0.6
80.54372	0.2
80.96529	2.9
89.02483	0.2
93.97253	0.3
94.98109	0.6
98.19834	0.3
109.38079	0.3
125.02451	0.2
138.44812	0.3
152.99648	0.3
183.10466	0.2
209.11923	0.3
212.55525	0.2
225.00867	0.3
235.08412	0.2
493.35318	0.3
575.26855	0.3
607.24268	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	604.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63710	0.8
59.01373	2.5
61.98830	7.6
66.04545	0.8
67.30332	0.9
69.91723	0.9
71.01385	2.7
73.02951	0.8
79.01918	1.4
80.04097	0.8
83.01366	0.9
85.02948	0.8
95.01372	1.2
101.02437	1.7
107.01392	1.8
111.00875	2.0
123.00871	11.2
124.01733	1.1
125.02464	10.3
137.02403	1.4
139.00401	4.0
140.01199	1.4
151.00372	7.7
151.04015	1.4
152.04370	1.2
168.00662	2.4
169.01421	17.4
196.06978	1.0
247.02405	1.9
271.04510	1.3
273.00323	1.0
293.63208	0.8
308.27054	0.9
314.81131	0.9
453.10434	1.7
471.31787	0.8
541.22870	100.0
542.23151	11.7
579.18268	0.9
604.13806	1.5
604.23199	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82634	0.5
57.31446	0.6
57.36043	0.5
71.22657	0.6
71.22976	0.6
77.45220	0.6
96.96017	1.1
99.16483	0.6
101.02415	0.6
102.59867	0.5
117.03471	0.6
124.15252	0.5
125.02451	1.3
133.02960	1.0
137.02434	0.8
145.02922	2.3
147.04507	1.4
161.02420	1.9
163.04036	1.4
169.01389	1.2
173.02444	2.3
175.04028	0.9
189.01851	3.1
190.02617	1.1
191.03497	6.2
201.01898	2.8
203.03519	0.7
217.01390	14.3
218.01805	0.6
219.02934	3.3
229.01439	1.6
245.00885	17.0
246.01399	1.6
247.02458	100.0
248.02806	5.2
273.00397	43.6
274.00745	2.3
274.67941	0.5
291.01465	30.1
292.01837	1.5
294.41516	0.5
333.02625	1.5
363.03598	2.7
393.04593	8.3
435.05515	2.9
453.06696	67.9
454.07056	5.8
605.07428	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	604.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	36.9
60.01713	1.9
61.98831	100.0
69.30670	0.5
71.49455	0.7
95.68037	0.6
103.07847	0.5
115.02529	1.3
116.02611	0.9
117.00436	1.3
117.02319	0.8
159.01495	13.8
160.01640	6.9
161.01198	8.2
161.98956	8.8
174.99260	5.3
175.99533	0.6
176.98093	10.6
177.96771	1.1
177.98271	2.6
178.95168	1.5
178.97812	3.4
179.95555	1.1
201.02560	3.8
202.02689	3.1
203.02301	2.7
203.99969	4.0
217.00293	15.6
218.00729	2.5
219.00456	0.9
219.97752	18.3
220.97896	0.7
261.01422	0.8
286.73550	0.6
301.02707	2.1
302.02679	4.8
303.02478	8.4
303.99911	15.6
304.02850	3.2
305.00455	1.7
317.00433	4.5
318.00604	4.6
318.99994	5.1
319.97562	9.9
320.99103	2.0
359.01389	1.8
360.01865	2.5
361.01303	2.6
361.98764	4.9
461.01608	1.6
461.99219	3.6
543.00262	0.9
544.00641	11.6
545.00195	2.7
577.28967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86872	0.9
59.01369	2.8
61.98846	2.0
63.87193	0.8
69.16728	5.2
69.17152	2.8
71.01376	2.5
73.02980	0.9
78.80200	0.9
85.02965	0.9
93.03436	0.8
95.01372	1.0
101.02489	1.2
107.01386	2.3
111.00894	1.9
117.98011	0.9
123.00877	8.2
124.01670	1.0
125.02430	10.7
130.82077	1.0
137.02361	0.9
139.00351	2.0
140.01132	2.1
141.01984	1.2
151.00345	5.9
168.00598	1.9
169.01401	14.3
170.03191	0.8
172.18831	1.2
233.24962	0.9
247.02298	0.9
255.90918	0.9
271.04419	1.0
309.64108	0.8
313.05768	1.0
480.27185	0.8
512.11359	0.9
538.94287	0.8
541.22937	100.0
541.70728	0.9
542.23315	10.3
593.22107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19542	2.0
55.85538	2.2
59.00716	1.9
60.99296	11.0
61.98854	2.1
65.46879	1.9
66.18321	2.0
70.16317	7.9
70.72892	2.1
87.00875	3.0
88.00395	9.5
88.98808	47.7
89.02446	100.0
124.20094	2.1
148.90889	2.3
170.50967	2.1
212.15001	2.4
229.75052	2.5
238.30228	2.1
408.49002	2.3
475.55762	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	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62473	2.5
53.85094	2.2
57.03445	3.2
59.01111	4.6
59.01382	57.3
61.98822	10.5
63.46538	2.3
71.01374	11.9
73.02928	3.5
73.64701	2.8
81.03511	2.7
83.01385	4.5
83.97201	2.5
85.02937	2.6
88.98815	18.2
89.02446	16.4
95.04996	3.5
97.06527	3.3
98.20733	5.1
101.02451	9.7
104.66338	2.4
109.02870	2.4
112.24166	2.2
113.02433	5.2
118.03282	2.3
125.09727	8.7
137.09753	4.1
139.30414	2.3
141.12892	2.9
155.99092	2.8
161.04440	3.8
163.11235	9.5
165.12933	3.3
169.01279	2.9
171.10281	8.2
185.11801	6.8
191.10721	3.2
191.14470	13.1
197.11815	2.9
207.10243	7.3
209.11821	54.5
211.13298	3.2
219.32866	2.4
227.12869	5.2
235.08171	3.1
237.11363	4.5
245.19083	15.6
253.09274	43.4
263.20065	4.6
271.17026	2.4
289.18109	100.0
290.18320	8.3
307.19131	93.2
308.19315	6.5
394.43436	3.3
423.91595	3.3
455.88800	2.7
509.19751	2.9
543.27930	3.6
550.65240	2.5
603.30774	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	603.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81004	1.7
58.00599	2.5
59.01385	62.8
61.98534	2.6
61.98832	28.4
62.08880	1.9
64.16145	1.7
67.85754	1.9
69.03458	2.5
71.01384	44.7
71.52541	2.2
72.99303	6.1
73.02931	6.0
74.90939	2.2
78.95884	2.3
83.01435	2.1
83.05029	3.1
85.02950	9.1
87.00888	2.4
89.02450	49.5
93.95592	1.9
95.01370	3.2
96.96013	5.5
97.02970	4.5
99.00879	4.7
99.04520	100.0
100.04839	2.4
101.02454	22.2
106.68761	1.8
109.06623	3.4
111.00819	2.0
113.02452	10.3
116.92882	2.2
119.03513	3.3
123.00885	4.5
123.73885	2.1
125.02470	24.0
127.97211	1.9
131.03531	19.2
137.02463	2.1
149.04550	20.0
157.08685	6.8
159.10274	12.5
161.04581	2.7
161.13222	2.2
163.11214	2.6
169.01381	8.3
169.12360	4.3
171.10255	8.7
187.14946	6.2
188.07181	6.6
191.05638	8.1
207.10255	10.6
209.11778	6.4
225.11290	5.0
231.13895	11.4
249.14973	34.9
253.09311	3.0
293.08801	19.4
393.14017	3.9
393.69586	1.8
405.22980	4.1
513.35779	2.0
567.24628	2.4
602.35284	4.4
603.21118	7.4
603.29871	12.2
603.36908	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	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87688	2.7
57.03434	4.3
59.01381	64.5
61.98830	44.9
70.98568	7.1
71.01392	19.4
73.02938	6.2
84.17859	3.2
85.02940	5.0
87.00850	3.6
89.02433	7.3
97.06564	9.7
101.02434	12.6
111.08166	4.9
113.02431	5.4
119.03492	3.1
134.36301	2.9
135.08046	3.7
137.09717	3.4
151.11249	10.7
152.04565	2.8
161.04584	4.4
163.11284	3.6
165.12831	17.0
169.12306	3.7
171.10265	11.4
172.10612	5.6
181.12271	13.2
191.10725	7.4
209.11823	56.9
211.13441	20.1
212.13713	8.6
213.13992	5.6
225.11232	5.0
227.12927	16.0
232.01183	3.1
245.19049	12.1
253.09317	36.0
263.20212	22.0
275.85489	3.6
289.18036	26.7
307.19141	100.0
308.19559	6.0
365.33206	3.3
445.20779	21.3
477.17599	3.3
533.85309	3.3
543.28003	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	603.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31233	0.4
59.01374	1.0
59.40363	0.4
65.03940	0.5
65.38837	0.5
67.01919	0.5
67.29721	0.5
69.03431	0.5
69.44359	3.6
71.01371	2.4
81.32040	0.4
83.01378	0.5
85.02930	0.9
91.01890	1.6
93.03444	1.6
95.01382	1.1
97.02933	0.7
98.70116	0.5
101.02428	1.6
107.01388	4.4
109.02959	3.7
111.00845	0.7
113.02439	1.2
119.04999	0.6
121.03023	0.5
122.03720	1.4
123.00867	4.7
123.04522	8.2
124.01704	0.9
125.02441	30.8
126.02767	0.8
135.00887	7.2
137.02438	56.3
138.02773	1.1
139.00388	2.3
140.01109	1.1
149.02464	0.7
151.00362	4.5
151.02899	0.8
151.04016	12.7
153.01927	1.5
161.02490	1.0
167.03511	2.5
168.00601	1.7
169.01414	51.7
170.01738	1.4
179.03436	0.8
206.10091	0.4
207.42819	0.4
211.02499	2.6
215.58318	0.5
241.03574	1.4
243.32588	0.5
253.03464	0.5
289.07260	1.4
303.04904	0.8
313.05630	40.6
314.05969	1.4
331.07071	0.5
332.56772	0.5
349.91946	0.5
361.87259	0.5
423.09152	0.5
451.08777	100.0
452.09058	6.6
471.30759	0.5
603.13977	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	603.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83598	0.5
55.77326	0.6
58.52863	0.6
61.12656	0.5
61.98824	3.8
63.58592	0.5
67.42687	0.6
69.03461	0.9
69.44478	2.2
69.44922	2.1
82.76460	0.5
83.01388	0.7
85.02986	0.6
86.71880	0.6
93.03468	3.9
95.01378	1.2
96.96024	0.9
97.02951	0.7
98.20644	1.0
107.01389	3.8
108.02204	0.6
109.02957	1.0
111.00839	0.7
111.04508	1.1
117.03508	0.6
118.80898	0.6
123.00866	1.3
125.02451	32.6
126.02742	0.9
132.02162	0.9
135.00882	1.7
137.02458	4.1
139.00449	0.7
143.05054	1.1
151.00345	3.8
159.04454	1.0
163.00398	2.8
167.04950	0.8
169.01422	53.8
169.06380	1.1
170.01746	1.7
170.94910	0.6
171.04517	1.1
183.04486	0.9
185.02402	0.6
185.06062	2.0
187.03963	2.8
189.05533	1.3
197.06073	1.4
211.03984	2.1
213.05563	2.0
227.03482	29.5
228.03845	1.8
229.05031	13.3
239.03421	1.8
240.04218	1.1
241.05125	1.2
255.02977	50.9
256.03564	6.3
257.04550	6.9
267.03122	0.7
283.99954	0.9
284.03262	56.1
285.04025	100.0
286.04413	5.9
313.05640	0.8
327.04968	0.8
429.08408	0.8
433.07782	4.9
447.09299	29.7
448.09567	2.9
449.88681	0.6
451.08292	1.3
460.66205	0.5
465.06607	2.2
540.21808	1.1
562.74481	0.6
567.11346	8.8
568.11365	0.7
585.12402	21.9
586.12897	2.5
595.86761	0.6
603.13568	16.7
604.13995	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	602.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02411	0.6
55.85534	0.7
61.98830	100.0
71.49783	0.9
87.29885	0.7
87.84272	0.7
131.83852	0.8
171.10352	1.1
250.08372	0.8
411.22391	0.8
533.24304	0.8
542.97614	0.8
545.13025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32673	0.2
55.80029	0.3
59.01385	2.6
61.98809	1.4
65.00308	0.3
68.99571	0.8
69.03454	1.6
69.26792	2.2
71.01376	1.8
73.02962	0.4
73.06938	0.2
76.90395	0.2
79.01906	0.9
81.03462	0.5
82.95392	0.3
83.01391	0.5
85.02953	0.4
88.98801	0.3
89.02459	0.7
89.48849	0.2
93.03458	15.6
94.03790	0.3
95.01404	0.9
97.02953	1.6
97.84042	0.2
99.04549	0.3
101.02453	0.9
107.01396	3.1
108.02273	0.3
111.00888	0.4
112.02902	0.2
112.98577	1.3
113.02454	0.8
121.03073	0.3
123.00873	2.2
124.01653	0.8
125.02448	54.1
126.02805	1.4
131.03488	0.4
137.02446	31.0
138.02776	0.9
139.00372	1.0
140.01202	0.5
147.35297	0.3
151.00346	1.5
161.02446	0.4
167.03505	0.3
168.00626	0.7
169.01422	100.0
170.01801	2.9
179.03488	0.4
193.01442	0.5
197.37003	0.3
211.02441	0.6
219.13850	0.3
231.13863	0.4
249.14989	4.3
255.02843	0.3
285.04050	2.9
286.04391	0.5
313.05634	2.2
331.20142	0.3
433.07721	20.4
434.08176	1.8
451.08563	1.1
567.24237	0.8
602.29059	0.3
603.09534	3.2
603.30524	2.8
617.07416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98452	0.4
57.21008	0.4
59.01388	0.9
61.64367	0.4
61.98840	1.4
63.02423	0.5
69.03463	1.9
71.51645	0.5
72.99302	0.5
79.01891	1.0
81.03435	0.6
85.02980	0.7
87.45291	0.4
89.02444	0.5
93.03466	3.2
95.01398	1.2
96.96028	1.1
97.02946	1.6
101.02425	0.8
107.01409	2.6
109.02975	0.5
111.00889	0.6
119.04969	0.4
123.00910	2.0
124.01669	0.6
125.02448	60.5
126.02786	2.2
135.00835	0.6
137.02458	6.1
139.00366	1.3
140.01137	0.5
151.00381	2.4
151.03993	0.7
163.00351	0.8
165.01927	0.5
168.00641	1.1
169.01422	100.0
170.01772	3.5
177.02023	0.4
185.06165	0.4
187.04010	0.9
193.01405	0.6
199.03955	0.4
200.08234	0.4
204.64880	0.4
211.02463	1.5
211.04138	0.8
213.05644	0.6
227.03499	8.7
229.05060	3.2
239.03392	0.5
241.04982	0.5
255.02991	13.3
256.03528	1.8
257.04456	1.6
271.04532	0.7
281.06738	0.9
284.03256	16.1
285.04041	27.2
286.04303	1.3
313.05661	2.1
378.40787	0.4
414.52399	0.4
433.07755	8.6
434.07861	0.5
441.24860	1.2
447.09357	8.3
448.09293	0.6
451.08258	3.1
465.06833	0.8
501.97345	0.5
523.10565	0.5
540.21606	2.9
567.11218	2.9
585.12537	5.2
586.12427	0.9
603.12610	5.9
603.27130	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	602.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04758	1.2
59.01374	4.8
59.46098	1.4
61.98535	2.2
61.98835	29.6
71.01376	5.0
71.52160	2.0
78.85583	1.4
78.95882	2.1
83.01392	2.4
84.74397	1.3
96.96006	6.4
107.01404	5.4
111.00867	1.7
118.30856	1.6
123.00894	5.6
123.04504	1.5
125.02456	36.0
126.02753	2.2
139.00360	2.8
140.01134	2.4
141.10655	1.5
151.00359	5.4
165.01892	1.4
167.03482	4.0
168.00623	3.1
169.01431	46.6
211.02489	3.6
217.12108	1.4
229.14438	5.9
241.03619	1.5
255.99698	1.5
271.04541	11.5
289.07150	2.4
297.06308	1.4
313.05627	10.7
314.86349	1.5
539.21307	100.0
540.21631	9.6
602.11084	2.7
603.13214	2.2
603.31378	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	601.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34845	2.1
57.24910	2.2
59.01382	3.1
64.58265	2.1
70.70777	6.1
89.78297	2.2
96.96002	11.3
96.96957	3.1
108.02170	66.0
109.02956	15.0
121.02975	2.6
125.02460	5.9
133.02750	2.2
135.23622	2.2
137.02489	2.6
150.37451	2.4
151.00349	2.7
151.04001	3.8
151.99989	3.8
152.01158	54.6
153.01956	25.5
163.04028	2.8
165.01903	2.5
169.01450	7.4
179.21376	2.2
198.79730	2.3
206.82343	2.1
211.02405	3.8
212.02873	2.6
285.06146	100.0
286.06516	5.6
287.05588	3.8
288.60535	2.3
313.05594	2.9
315.07062	2.9
449.12964	4.3
601.13763	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	602.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.6
59.01366	2.2
59.80077	0.5
61.98826	3.9
67.01884	0.5
69.44756	3.7
70.89795	0.5
71.01374	1.8
73.02972	0.7
85.02952	1.4
95.01378	1.0
100.12727	0.5
101.02428	1.6
107.01392	3.0
110.00125	0.5
111.00878	0.9
113.02468	0.7
123.00877	9.5
124.01669	0.8
125.02447	12.6
126.02781	0.8
130.47394	0.5
136.98810	0.6
137.02460	0.8
138.06859	0.8
139.00369	3.3
140.01147	2.0
141.01959	1.8
151.00366	9.3
152.00623	0.6
153.01917	0.6
153.09215	1.9
168.00621	3.4
169.01419	18.1
170.01749	1.0
211.02457	1.7
211.78555	0.5
225.14955	0.7
229.94748	0.4
237.08176	0.6
245.82738	0.5
271.04648	0.8
284.03275	0.7
285.03891	0.7
313.05750	2.3
539.21307	100.0
540.21643	12.4
602.11249	4.5
603.12219	0.6
612.99164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1202
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
57.03440	5.9
58.43845	1.5
65.00326	3.8
69.48076	6.2
69.48484	2.6
71.01379	3.1
79.01902	1.8
81.03448	2.3
83.01405	3.8
86.80882	1.6
93.03453	2.5
95.01405	2.4
106.63544	1.4
107.01411	11.0
109.02978	1.5
111.00882	1.9
123.00871	5.9
124.01648	2.5
125.02454	100.0
126.02773	3.0
139.00343	3.4
140.01138	3.0
142.84584	1.4
149.02426	2.6
151.00385	15.5
152.01158	3.4
153.01979	8.1
153.03035	1.3
163.00372	1.7
165.01955	2.0
167.03491	1.7
168.00624	6.1
169.00002	3.2
169.01430	56.1
173.06058	7.8
175.00371	1.6
176.01125	5.9
177.02020	1.5
177.05556	4.5
178.99887	3.5
182.89296	1.6
201.05573	2.8
211.02477	9.4
213.05591	1.5
215.07143	7.1
225.05568	1.6
241.05206	2.2
243.06589	6.8
259.06113	33.3
268.03815	3.7
269.04559	32.1
271.04593	6.0
283.06055	4.2
287.05606	14.3
310.39539	1.7
312.04556	1.8
313.05658	40.9
392.76492	1.6
439.08859	9.6
466.07416	5.8
497.22980	1.8
573.12537	23.4
583.10944	59.5
584.11456	8.5
601.11963	76.5
602.12372	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1197
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
59.01379	3.1
61.98831	6.8
65.03953	3.6
65.87206	1.2
67.01890	2.5
69.03452	1.8
71.01390	5.8
71.51637	1.1
71.51988	1.2
81.03440	1.3
85.02953	1.4
89.02444	1.3
91.01884	6.5
93.03465	3.6
95.01381	2.1
101.02444	2.1
107.01396	9.8
108.02168	2.3
109.02947	41.6
110.03293	1.3
111.00863	2.6
113.02389	1.0
121.02940	8.3
122.89526	1.1
122.92908	1.1
123.00890	11.7
123.04551	9.9
124.01698	2.4
125.02441	54.4
131.01408	1.1
132.02086	1.1
135.00882	24.9
135.04553	1.1
136.98897	1.4
137.02446	15.3
139.00346	3.6
139.04004	4.9
140.01135	1.9
149.02434	23.9
149.03607	1.4
150.03088	1.8
151.00374	7.4
151.03987	6.7
153.01961	7.3
160.01657	4.6
161.02477	1.3
163.00356	31.6
163.04028	2.2
165.01926	7.4
167.03549	1.0
168.00636	6.3
169.01413	76.6
170.01750	2.8
171.04347	1.1
173.06102	1.0
177.01930	2.4
179.03525	1.1
179.48091	1.3
184.86829	0.9
187.00383	2.5
189.01959	1.8
190.99855	1.6
197.06085	3.5
199.04182	2.0
201.05557	5.4
211.02448	5.8
213.05698	1.1
214.99812	2.6
215.03432	1.1
216.00684	2.1
217.01445	2.1
224.04767	3.6
225.05550	13.7
227.03482	2.5
240.04312	2.4
241.05142	3.1
241.10907	1.3
243.06639	2.1
245.49309	1.1
251.03534	3.3
259.06067	21.2
259.99585	1.2
260.06476	1.9
261.00488	1.6
261.63644	1.2
266.39023	1.1
267.02924	2.0
268.03775	3.9
269.04535	43.3
270.04919	3.4
271.04477	3.4
273.00397	1.1
285.97614	1.2
286.04208	1.0
286.98645	2.1
287.05594	62.9
288.05984	2.6
313.05627	100.0
314.06119	4.5
367.80884	1.1
378.17651	1.1
387.03796	1.9
431.02539	2.5
431.09943	1.5
439.06302	6.2
451.08890	4.4
477.06717	2.3
479.08481	2.6
513.11096	1.4
539.12842	1.4
541.10608	1.2
557.05499	1.7
557.13293	2.0
573.12646	4.4
583.10913	57.7
584.11053	5.9
601.04413	5.2
601.12225	51.0
601.22083	1.3
601.25958	1.2
602.12329	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	600.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
69.25187	31.5
87.77921	3.8
109.94247	3.6
154.31100	3.6
161.23450	4.0
248.65295	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	600.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.4
61.98832	100.0
70.05551	2.7
71.01392	1.4
72.38634	0.5
83.01417	0.8
83.47644	0.5
84.67588	0.6
89.02482	0.5
93.03462	0.6
95.01379	0.7
107.01405	5.2
111.00905	0.9
121.02942	0.7
123.00899	3.0
125.02448	14.9
126.02804	1.5
128.37967	0.5
135.04587	1.6
139.00394	0.7
140.01221	1.1
146.15805	0.6
151.00366	4.7
151.07643	0.6
153.09274	1.4
166.82071	0.5
168.00677	1.6
169.01424	21.5
169.02831	1.1
170.01787	2.5
194.99396	2.2
201.05765	0.6
211.02533	2.4
241.03442	0.7
269.04669	0.8
271.04507	2.9
285.04007	8.7
286.04367	10.7
287.05228	0.9
301.03717	0.9
302.03946	1.3
313.05655	6.9
314.06128	3.9
315.06418	0.6
467.15683	1.8
475.08917	2.0
479.15564	0.7
519.18738	5.4
520.18805	0.7
537.19788	20.1
538.20404	2.2
600.10669	11.7
601.12109	2.5
601.20691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
61.98831	100.0
62.98538	0.2
64.02369	0.1
69.45769	1.0
71.01381	0.5
73.02953	0.2
78.95940	0.1
83.01395	0.3
85.02977	0.2
95.01447	0.2
96.96021	0.2
101.02443	0.2
107.01411	0.8
111.00886	0.2
113.02473	0.3
114.18680	0.1
116.92867	0.7
121.16035	0.1
123.00877	0.5
125.02453	3.1
126.02777	0.5
135.04559	0.5
137.02403	0.2
138.74709	0.2
139.00401	0.3
140.01237	0.2
144.19057	0.1
151.00351	1.2
152.00861	0.3
153.02016	0.2
168.00645	0.6
169.01430	3.5
170.01814	0.7
211.02527	0.2
227.03503	0.3
228.03899	0.4
229.05087	0.3
230.05392	0.2
231.36305	0.1
255.02986	0.6
256.03430	0.6
257.04544	0.2
271.04675	0.2
284.03253	0.9
285.03961	4.1
286.04404	3.3
287.05389	0.5
313.05743	1.2
314.05905	1.0
373.96567	0.1
375.20261	0.2
439.22894	0.1
447.09442	0.4
448.09595	1.5
449.10855	0.3
475.08762	0.2
519.18109	0.2
537.19818	1.6
600.10754	4.5
600.24915	0.2
601.12329	0.8
601.21082	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74464	0.2
59.01388	0.3
59.45417	0.2
61.98830	100.0
63.02397	0.2
65.00306	0.3
69.42334	0.2
71.01379	0.4
71.47291	0.4
89.70107	0.2
96.96037	0.3
107.01395	0.6
109.02943	0.3
112.19777	0.2
123.00902	0.6
125.02454	2.7
126.02828	0.4
126.15626	0.2
135.08386	0.2
139.00417	0.2
151.00363	1.5
153.01877	0.3
168.00685	0.5
169.01439	3.8
170.01775	0.6
227.03558	0.5
228.03920	0.4
229.05054	0.3
230.05592	0.2
255.03076	1.1
256.03311	1.3
257.04343	0.4
271.04761	0.6
284.03305	2.0
285.03854	5.5
286.04382	4.0
287.05399	0.3
304.41876	0.2
313.05630	1.1
314.06131	0.6
375.20612	0.2
426.44876	0.2
447.09351	1.4
448.09589	3.6
449.10666	0.6
454.76788	0.2
537.19788	1.7
599.26794	0.3
600.10773	5.2
600.25214	0.3
601.11810	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73494	1.5
52.52797	1.7
59.01387	10.1
61.75588	1.5
61.98835	100.0
70.82881	4.3
71.01389	9.9
79.01897	2.8
82.16279	1.5
83.01411	2.4
85.02975	3.2
89.02442	4.0
93.96358	1.8
95.01379	3.4
101.02459	4.4
101.85001	1.6
107.01398	8.1
111.00862	2.2
113.02442	2.8
114.70941	1.8
116.92809	2.4
123.00886	11.8
125.02460	38.8
126.02760	6.1
135.04485	2.6
137.02473	2.6
139.00357	5.0
140.01118	2.6
148.36757	1.8
151.00389	13.6
161.09674	2.4
168.00670	4.7
169.01439	59.8
170.01714	5.9
171.83038	1.7
176.01067	2.4
179.10745	5.2
203.10750	4.2
211.02420	4.9
223.09924	2.0
224.90659	1.7
227.03470	3.3
228.03883	4.8
247.13412	25.0
255.02974	6.7
256.03351	4.3
257.04102	2.0
284.03305	10.0
285.03906	19.8
286.04413	14.9
313.05713	11.4
314.06100	4.5
325.12830	4.7
331.06485	2.4
385.15146	13.1
405.51385	1.9
447.09006	2.8
448.09622	7.9
474.41174	2.0
493.17081	10.3
537.16040	44.1
538.16278	3.6
600.10828	42.2
601.11169	5.4
601.28748	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	600.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41932	0.8
59.01371	3.3
60.08517	0.8
61.98834	5.8
71.01383	3.0
71.51967	1.1
72.99290	0.7
74.98169	0.8
77.24503	0.7
83.01394	0.8
85.02937	1.5
88.77612	0.8
89.02409	1.3
97.02953	0.8
101.02476	1.4
107.01405	3.0
111.00877	1.4
111.06465	0.7
113.99585	0.9
123.00885	11.1
123.04646	0.8
125.02454	16.6
127.00294	0.8
136.98830	0.9
139.00352	2.8
140.01149	2.5
147.75935	0.7
151.00363	7.9
153.01944	1.3
168.00603	3.6
169.01418	22.7
170.01723	1.3
191.95955	0.7
205.12383	1.3
211.02464	6.0
259.06094	0.8
269.04489	1.3
271.04541	7.2
285.04022	0.9
287.05713	1.6
313.05612	2.3
449.10922	0.9
537.19751	100.0
538.20184	10.9
583.10773	1.2
600.10895	1.7
600.23889	2.1
601.11389	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	600.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.3
61.98830	100.0
69.82185	0.9
71.01382	0.4
98.19962	0.3
107.01406	0.5
108.84564	0.2
123.00915	0.4
125.02440	1.5
126.02782	0.4
131.35835	0.2
151.00377	0.3
160.01700	0.4
160.59776	0.2
169.01418	2.1
170.01733	0.4
175.03987	0.3
176.04544	0.2
285.04138	0.3
483.17920	0.2
563.24884	0.3
564.25403	0.3
599.23975	0.7
600.10950	0.5
600.23749	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61527	0.2
52.86279	0.2
59.01377	0.9
61.98830	100.0
69.20918	1.4
69.21326	0.4
71.01393	0.3
93.03452	0.4
95.94140	0.2
96.06718	0.2
96.65351	0.2
104.10627	0.2
107.01403	0.2
113.02509	0.3
123.00887	0.4
125.02426	1.0
126.02824	0.2
129.05785	0.2
137.02443	1.3
151.00389	0.3
169.01390	1.4
170.77646	0.2
171.10271	2.0
172.10651	0.4
209.11784	1.6
262.30640	0.2
268.61240	0.2
285.04037	0.3
286.04538	0.3
287.77130	0.2
405.38681	0.2
437.25314	0.2
508.80487	0.2
547.01373	0.2
565.23248	0.4
593.26129	0.2
599.24310	0.4
600.23248	1.3
601.29089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.2
61.98537	0.8
61.98830	8.8
67.01870	1.0
67.21059	0.5
68.99523	0.5
69.03458	0.9
71.01375	4.4
71.87644	0.5
72.99274	0.7
73.02937	0.7
75.00876	0.6
79.01872	1.5
81.03469	0.5
83.01369	1.3
85.02952	3.3
87.00827	0.6
88.98776	0.8
89.02425	2.1
93.03448	1.1
95.01383	2.7
96.96003	0.8
97.02923	1.5
99.00871	0.6
101.02427	2.2
101.30254	0.5
107.01390	9.5
109.02949	0.7
111.00850	1.8
112.98615	0.5
113.02430	2.4
123.00007	0.9
123.00885	17.3
124.01649	0.5
125.02444	32.9
126.02781	0.9
127.00362	0.9
131.03465	1.7
136.98770	0.9
137.02409	1.3
138.03239	0.8
139.00365	7.0
140.01166	4.0
141.01909	1.5
149.02414	1.0
151.00377	12.8
152.00810	0.6
153.01917	0.5
165.01933	0.7
166.02742	0.7
166.99870	1.2
168.00642	3.5
169.01419	44.3
170.01721	1.5
171.08830	0.8
171.10263	13.4
179.03375	0.6
183.03024	0.7
193.01312	0.7
209.11826	10.9
211.02365	2.4
223.02345	1.9
227.03471	0.8
229.04916	0.8
241.03566	1.7
253.09129	0.7
255.02982	0.9
283.04568	6.8
284.03333	1.8
285.04010	6.6
286.04434	0.8
301.05533	1.4
313.05670	2.1
315.04898	0.9
338.79257	0.6
343.06625	1.2
363.21594	0.8
447.09457	1.0
447.26315	0.6
485.20206	1.1
581.28870	0.7
599.10754	3.9
599.23352	100.0
600.23651	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	599.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.9
61.98830	100.0
65.00336	0.4
67.01919	0.5
68.99835	0.4
69.03449	1.1
71.01392	5.6
72.99306	1.2
73.02958	1.6
75.00896	0.4
78.91895	0.9
79.01894	1.0
81.03461	0.4
83.01385	0.6
85.02935	2.1
87.00903	0.6
89.02433	2.8
93.03455	0.5
95.01384	2.1
96.96007	3.8
97.02946	0.8
99.00891	1.7
101.02425	2.3
107.01389	17.8
108.02219	0.6
109.02972	0.9
111.00899	1.0
113.02460	1.5
123.00883	7.3
123.04490	0.4
124.01667	0.8
125.02448	41.3
126.02794	1.1
127.00376	0.6
131.03525	1.2
131.79323	0.4
134.03682	0.5
135.04512	0.6
136.98805	0.7
137.02454	0.5
139.00377	3.2
140.01131	1.6
141.01949	1.5
149.02451	0.6
151.00374	6.8
152.01170	0.9
152.72586	0.4
153.01855	0.8
160.01663	3.2
161.02396	0.7
161.04492	0.5
166.99789	0.5
168.00620	1.8
169.01421	60.5
170.01839	1.8
171.10216	1.5
174.01682	0.6
175.04019	4.1
179.03502	0.9
179.10718	1.1
193.05029	1.2
205.01428	0.5
209.11809	1.1
211.02463	1.3
223.02435	1.7
227.03574	0.6
229.05048	0.8
229.75076	0.6
241.03474	1.2
243.06740	0.7
247.17065	0.7
255.02936	1.4
257.04462	0.6
283.04633	2.9
284.03159	1.7
285.04044	8.8
286.04410	0.5
301.05655	1.0
313.05695	2.6
343.06683	3.9
344.12875	0.4
419.16989	0.6
431.10989	1.1
437.25311	1.6
447.09097	0.7
485.20700	0.8
491.90054	0.4
563.25110	4.4
564.25330	0.8
599.10571	4.7
599.23340	81.7
600.10968	1.0
600.23615	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	599.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54932	0.1
50.93883	0.1
54.29818	0.1
55.01878	0.2
57.03462	0.3
59.01378	3.7
61.98827	1.2
65.00324	0.4
67.01888	1.0
68.99823	0.4
69.03463	0.7
71.00787	0.2
71.01380	4.8
71.52502	0.2
72.99306	1.1
73.02953	0.5
75.00877	0.2
79.01891	1.0
81.03471	0.4
83.01389	0.6
83.05030	0.4
85.02940	1.5
87.00883	0.4
88.98803	0.3
89.02448	1.7
95.01391	2.0
96.96040	0.2
96.99308	0.3
97.02956	0.9
97.06532	0.2
99.00890	0.6
101.02447	1.9
107.01391	14.2
108.01697	0.2
109.02956	0.5
110.00114	0.4
111.00883	2.6
113.02445	1.7
115.25592	0.1
119.03501	0.4
121.02932	0.2
123.00887	15.4
123.04527	0.4
124.01732	0.9
125.02448	37.8
126.02793	0.9
127.00368	0.8
127.11307	0.2
131.03519	1.0
131.83231	0.2
135.04555	0.3
136.98808	1.4
137.02470	0.6
138.03159	0.2
139.00374	6.3
139.04031	0.3
140.01167	4.0
141.01933	1.8
149.02429	0.6
151.00365	13.5
151.03990	0.5
152.00693	0.3
153.01933	0.8
153.05545	0.2
154.99852	0.4
161.02507	0.3
163.04016	0.4
165.12862	0.2
166.02652	0.2
166.99872	0.8
167.03452	0.4
168.00642	3.4
169.01419	49.1
170.01761	1.3
171.10269	9.6
172.10669	0.2
177.01950	0.3
179.03456	0.7
181.01471	0.7
182.02222	0.3
183.02991	0.3
191.05606	0.4
193.01460	0.5
195.03009	0.4
205.01353	0.5
209.11824	7.3
210.12064	0.2
211.02463	1.4
223.00311	0.3
223.02454	4.3
227.03447	0.2
229.04936	0.2
235.08246	0.2
237.03897	0.2
241.03474	1.4
253.09259	0.5
255.02977	0.5
283.04611	5.5
284.03201	0.5
285.03989	2.1
301.05643	1.0
313.05707	0.7
343.06744	1.5
345.20901	0.2
363.21805	0.6
373.07843	0.2
390.82404	0.2
437.25494	0.2
447.09430	0.2
502.07138	0.2
581.29523	0.5
599.23413	100.0
600.23755	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	599.1042
Annotation	Kaempferol 7-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
57.05060	0.7
59.01378	1.4
61.98835	11.0
63.02399	1.7
65.00330	1.2
66.18776	0.6
69.36013	6.2
71.01388	3.1
73.78025	0.7
79.01902	0.8
83.01395	1.4
85.02924	1.1
93.03482	1.3
95.01393	1.3
97.02955	1.1
97.48080	0.7
98.19965	1.8
104.71146	0.7
107.01386	9.4
109.02931	0.9
113.02451	1.4
123.00889	6.0
123.24325	0.7
124.01687	1.6
125.02452	38.9
126.02837	0.7
135.00850	0.9
136.62257	0.7
137.02425	1.1
139.00397	2.5
140.01222	1.8
151.00366	9.1
154.04288	0.8
159.04562	0.9
163.00410	1.4
168.00632	2.3
169.01433	53.4
169.06612	1.2
170.01805	1.0
171.04573	0.9
185.06120	1.1
187.04050	1.5
191.03397	0.9
211.02382	3.4
213.05475	1.3
214.02458	0.9
227.03467	2.3
229.05061	3.0
239.03426	1.1
241.03453	1.0
243.02650	0.9
255.03027	2.0
257.04541	2.5
271.04739	1.0
284.03351	4.5
285.04050	100.0
286.04333	5.7
295.03577	0.8
297.79288	0.7
301.03632	1.1
301.96463	0.7
313.05655	49.7
314.05930	2.3
333.37381	0.7
447.09351	3.7
479.43860	0.9
537.19562	2.9
599.10455	78.6
600.10773	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	599.1044
Annotation	Kaempferol 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.42309	0.5
55.01873	0.6
59.01367	1.4
61.98830	6.0
63.22020	0.5
65.00314	1.1
67.01879	0.8
69.03442	1.1
69.19244	3.2
69.19670	2.5
70.56934	0.5
71.01379	3.1
71.18843	0.5
74.46539	0.5
75.00846	0.6
79.01910	0.7
83.01380	2.6
85.02935	1.2
93.03480	1.4
95.01392	2.3
97.02941	1.7
101.02444	2.3
107.01397	7.1
109.02918	0.7
111.00921	3.4
111.01553	0.8
113.02478	2.7
123.00888	8.3
123.04533	0.7
124.01672	3.1
125.02446	47.0
125.70158	0.7
126.02761	0.9
127.00336	1.4
132.02188	0.7
136.98845	3.3
137.02408	1.1
139.00374	4.6
139.03989	2.0
140.01141	5.1
141.01961	0.6
151.00383	9.8
151.04051	0.7
153.01839	0.8
156.29129	0.6
159.04549	0.8
161.02443	0.7
163.00310	1.3
165.01904	0.7
168.00644	7.2
169.01419	62.5
170.01799	1.7
175.03801	0.7
177.01915	1.2
178.99889	1.2
179.03481	1.4
185.06075	1.0
187.04076	0.8
211.04135	0.8
213.05562	0.7
227.03496	10.0
229.05052	3.5
255.02985	22.6
256.03586	3.1
257.04517	2.2
284.03256	27.4
285.04028	27.5
286.04330	1.5
299.99252	0.8
313.05643	32.7
314.06046	1.0
415.11163	0.6
447.09357	6.2
471.89810	0.6
539.25122	0.7
587.10205	0.8
599.10425	100.0
600.10693	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	599.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
68.78284	1.2
71.01375	5.4
89.63067	1.2
97.02924	1.6
98.19848	2.2
101.02387	1.3
105.88932	1.2
107.01396	12.4
111.00871	2.2
123.00907	7.7
124.01663	1.3
125.02444	68.1
125.73716	1.4
139.00360	3.6
140.01161	2.1
143.04915	1.3
151.00410	10.0
163.00317	1.5
168.00671	3.1
169.01419	94.3
170.01765	1.9
172.98993	1.5
185.05957	1.2
211.02470	3.9
212.25237	1.4
213.36417	1.3
227.03474	14.5
229.05054	4.4
241.03516	3.5
255.02957	27.7
256.03653	5.0
257.04523	2.8
280.05994	1.2
284.03265	34.7
285.04022	30.0
286.04333	2.1
298.03729	1.3
300.02811	1.5
301.03207	1.7
313.05673	18.8
355.66394	1.2
447.09213	3.9
479.16824	1.3
551.21100	1.4
599.10413	100.0
600.10925	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	599.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29753	0.2
63.02388	1.6
65.00323	1.0
68.63187	0.3
82.18764	0.3
83.01385	1.3
91.01908	0.3
93.03470	1.7
95.01381	0.5
98.20693	0.9
107.01383	3.6
109.02936	0.6
117.03426	0.4
123.00871	1.0
125.02448	1.7
131.05070	0.4
135.00873	0.9
137.02382	0.6
139.00406	0.5
140.01201	0.5
143.05019	0.9
145.02980	0.6
151.00372	8.2
155.05026	0.4
157.06566	1.2
158.03743	0.3
159.04567	1.5
161.02478	0.3
163.00398	1.8
164.01027	0.5
167.04950	0.6
168.00645	0.5
169.01430	3.3
169.06601	0.7
171.04469	0.7
173.02362	0.3
173.06053	0.3
183.04524	0.5
185.06079	2.0
187.04016	2.6
189.05536	0.8
195.04422	0.6
197.06056	0.7
198.03178	0.4
199.03920	0.6
201.05557	0.6
211.04037	1.6
212.04832	0.3
213.05600	1.9
215.03539	0.3
227.03502	2.2
229.05051	9.8
229.96077	0.4
230.05426	0.6
239.03490	1.1
240.04309	0.4
241.05176	1.6
243.03082	0.3
255.02963	1.0
256.03616	0.6
257.04547	7.1
258.04861	0.4
267.02844	0.7
285.04034	100.0
286.04385	6.4
313.05640	13.5
313.09344	0.5
314.06036	0.7
548.17102	0.3
599.10510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
65.00323	0.9
67.01888	1.2
69.03456	1.3
71.01383	5.1
72.09549	0.4
72.99290	0.4
73.02954	0.7
79.01900	1.3
81.03456	0.5
83.01405	1.2
85.02959	1.3
89.02449	0.8
95.01384	1.3
97.02941	1.4
98.19933	1.1
101.02444	1.9
107.01385	8.7
109.02929	0.8
111.00887	1.4
113.02452	2.1
123.00899	9.8
124.01723	0.6
125.02451	54.7
126.02803	1.5
127.00319	0.7
136.98833	0.6
139.00371	2.7
140.01141	1.7
141.01942	1.3
151.00378	10.3
153.01880	0.7
157.06683	0.5
159.04538	0.5
163.00269	0.8
165.01862	0.5
167.03467	0.8
168.00661	2.9
169.01428	74.4
170.01759	2.3
170.89630	0.5
177.02084	0.4
179.03465	0.5
185.06088	0.6
185.38441	0.5
187.04163	0.7
211.02312	2.1
213.05580	0.6
223.02351	0.5
227.03494	9.2
229.05066	2.8
241.03516	4.4
253.03569	0.8
255.02989	17.2
256.03522	2.3
257.04526	2.2
271.04688	0.7
284.03256	23.2
285.04022	19.1
286.04413	1.1
313.05652	23.3
314.05963	1.3
386.26477	0.5
447.09296	4.0
537.19806	3.4
599.10443	100.0
600.10730	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	597.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33875	0.5
57.03443	0.6
59.01376	8.6
61.98830	39.6
67.01883	1.3
67.39967	0.5
69.63223	2.2
69.63649	1.9
71.01378	5.4
72.99284	0.9
73.02919	2.4
75.00873	5.4
79.01872	1.5
83.01377	1.7
85.02953	3.2
87.00852	0.8
88.98797	0.8
89.02434	3.4
93.03455	1.0
95.01373	2.5
96.95987	0.9
97.02953	0.7
99.00902	0.6
101.02452	3.5
107.01389	15.2
109.02936	1.5
111.00861	2.3
113.02442	2.3
121.02945	5.3
122.03284	2.4
123.00890	17.6
123.04518	0.7
124.01619	1.2
125.02448	42.7
126.02753	1.4
127.00356	1.2
131.03503	1.8
135.04507	1.0
136.98801	1.4
137.02420	1.9
138.03197	1.9
139.00356	7.1
140.01123	2.4
141.01903	1.9
148.32368	0.6
149.02434	1.2
151.00368	13.0
151.04004	1.4
153.01880	1.7
153.05528	2.1
167.03458	0.8
168.00632	2.6
169.01419	48.8
170.01738	2.2
175.58075	0.9
176.04617	0.6
177.01942	0.8
177.59184	0.6
179.03412	1.2
181.05052	0.9
193.01375	0.8
206.51598	0.6
209.11790	0.6
211.02469	2.2
223.02443	2.6
227.07246	0.7
241.03326	0.7
246.04376	0.8
255.02913	1.9
283.02234	0.8
283.04681	7.6
285.04117	1.2
297.06235	0.7
301.05795	0.8
341.10703	0.9
343.06656	5.8
351.93597	0.8
357.13028	0.6
373.07629	3.0
387.14377	0.8
393.05447	0.8
403.08701	6.6
435.03455	0.8
463.10916	1.0
487.10297	2.0
502.28195	0.6
561.23492	1.1
597.21808	100.0
598.22198	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	597.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
59.01379	8.6
61.98833	13.3
61.99121	0.9
67.01910	1.9
68.99571	0.8
69.03475	1.3
71.01383	10.1
71.51903	1.1
72.99312	1.7
73.02969	1.3
75.00847	0.6
79.01913	2.2
83.01395	1.6
85.02953	3.4
87.00880	0.9
89.02454	2.2
95.01385	3.3
97.02978	1.7
99.00918	1.8
101.02451	3.5
107.01388	18.6
109.02969	1.6
111.00877	2.9
113.02451	2.4
123.00887	21.5
123.01765	1.2
124.01700	1.3
125.02446	55.8
126.02834	1.7
131.03517	2.5
133.75085	0.7
136.98814	2.2
137.02477	1.4
138.03185	0.7
139.00368	8.3
140.01141	4.2
141.01920	2.8
149.02409	1.0
151.00369	20.0
153.01921	2.3
161.02419	0.8
163.04010	0.8
165.01904	1.8
166.99825	0.8
167.03531	1.6
168.00658	4.1
169.01418	78.8
170.01756	2.0
171.10266	0.6
174.01663	0.7
179.03485	1.3
181.05074	0.9
184.96115	0.5
189.12833	0.6
193.01393	1.0
209.11896	0.9
211.02449	3.8
223.02483	6.2
241.03545	8.2
255.03047	1.2
271.02386	5.7
271.04660	0.8
283.04626	9.7
284.03104	0.8
299.01953	8.2
299.05093	0.6
300.02692	1.4
301.05634	10.7
314.04218	7.2
315.04980	4.1
316.05774	0.6
343.06668	34.3
344.06949	2.3
373.07788	12.6
374.08078	0.8
403.08792	24.0
404.09167	1.4
435.23773	1.0
445.24390	1.7
461.16940	0.6
463.10611	1.4
477.10153	3.0
483.60339	0.7
537.23431	1.1
597.12537	7.3
597.21655	100.0
598.13019	1.2
598.21936	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	597.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14753	0.8
50.95189	0.7
58.42020	0.9
59.01373	1.7
61.98832	6.6
65.00323	2.4
69.40457	1.2
69.40863	5.9
78.95890	1.3
88.98798	8.4
90.50494	1.1
93.03458	1.4
96.96021	11.4
96.96964	2.8
101.02436	0.9
101.31201	0.9
107.01398	4.5
108.02193	1.8
109.02936	5.0
113.02407	1.0
123.00851	1.1
125.02442	3.2
125.69141	1.0
132.02199	1.7
135.00916	2.6
151.00377	6.1
152.01138	2.0
153.01932	6.3
159.04466	1.6
163.00343	3.7
167.03487	4.2
169.01392	3.9
185.06047	1.9
187.03937	2.6
195.04527	1.0
197.06128	1.7
199.03854	1.2
211.03998	3.5
213.05605	1.8
227.03488	47.0
228.03944	2.9
229.05003	10.0
239.03497	2.0
241.05011	1.1
255.02991	76.9
256.03622	11.5
257.04544	6.7
283.02472	3.3
283.99902	1.1
284.03256	77.5
285.04031	95.3
286.04318	5.3
297.06177	2.7
298.04886	1.3
299.05511	3.4
311.07764	6.3
429.08209	1.0
597.12494	100.0
598.12848	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	597.1249
Annotation	Pterogynoside
Peak:m/z	Relative Intensity
59.01370	1.3
61.98831	3.9
63.02397	1.2
65.00323	1.5
65.85468	0.5
69.38099	1.0
69.38499	4.1
83.01405	1.0
84.65469	0.6
85.02953	0.6
89.14263	0.6
93.03463	0.8
95.01367	0.9
96.41065	0.7
101.02470	0.8
101.07689	0.6
103.61900	0.7
103.97475	0.6
107.01393	3.6
108.02182	1.3
109.02948	3.4
110.14815	0.6
111.00873	0.8
112.45526	0.6
122.44798	0.6
123.00899	0.8
123.04522	1.4
124.10010	0.6
125.02460	1.1
126.10826	0.6
126.69385	0.6
132.02150	1.2
135.00865	1.5
143.05101	0.9
151.00354	4.8
152.01149	2.4
153.01923	6.0
163.00377	2.1
164.01112	1.0
165.01997	0.9
167.03468	4.3
169.01440	1.7
183.04500	1.7
185.06006	1.0
187.03987	1.3
200.04854	1.0
211.03975	2.8
212.04800	0.7
213.05664	1.0
227.03482	46.8
228.03804	3.2
229.05066	4.6
239.03441	1.0
241.05096	0.7
247.93221	0.8
255.02979	82.7
256.03613	11.8
257.04459	3.7
283.02438	3.6
284.03250	99.7
285.03983	36.5
286.04434	1.3
297.06332	3.8
298.04889	2.0
299.05496	2.6
300.06061	0.6
311.07800	1.2
327.05035	0.9
399.20059	0.8
429.08060	0.8
447.09418	1.8
597.12494	100.0
598.12866	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27825	5.2
59.01382	47.4
61.98829	37.4
69.03462	15.3
71.01379	53.4
73.02940	12.2
79.01912	13.6
85.02944	9.9
89.02457	52.1
95.01431	6.5
97.02950	11.1
98.19859	12.1
101.02436	14.3
107.01405	30.4
108.02184	46.2
109.02956	17.2
117.11427	6.6
121.02890	6.7
123.00912	18.9
125.02449	74.0
126.02750	6.0
130.19522	6.0
131.03520	16.3
135.00900	37.8
139.00391	6.8
149.04541	14.3
151.00372	23.6
152.01151	85.5
153.01939	66.2
169.01395	38.8
170.01727	6.2
180.80310	5.3
197.06256	5.8
243.06616	31.0
283.04587	9.4
293.08856	9.2
309.13101	6.1
327.07132	8.6
429.10294	100.0
430.11111	5.7
597.21649	74.5
598.21851	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70085	0.8
57.03449	1.2
58.00585	1.8
59.01384	42.7
61.98843	1.7
70.26324	3.2
70.40163	0.7
71.01384	26.8
72.99296	1.4
73.02945	1.7
75.00859	1.1
83.01395	2.5
85.02948	6.2
85.53368	0.9
87.00894	1.1
89.02447	20.3
95.01386	2.5
96.96011	2.4
98.20557	1.0
99.00896	0.9
99.04526	2.3
99.45931	0.8
101.02444	17.5
113.02448	10.2
119.03497	8.1
125.02430	2.6
131.03500	1.1
143.03419	1.0
153.01924	0.8
161.04628	1.5
169.01413	2.7
202.29350	0.8
213.05617	2.0
221.05766	0.7
270.98871	2.2
274.01031	1.0
298.98358	2.1
299.01746	1.4
299.99225	3.9
300.99908	1.6
322.94049	0.7
347.64880	0.9
348.04657	0.8
371.07883	1.2
397.05707	3.7
415.19724	100.0
416.19965	7.2
440.00720	0.8
551.14276	1.0
595.11249	1.3
595.16504	1.7
595.26135	33.3
596.27051	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	595.2887
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
54.40074	0.5
59.01377	0.7
62.94297	0.6
66.70725	0.5
70.17065	1.1
70.17435	2.3
71.50852	0.5
78.95902	66.8
86.19946	0.5
96.96959	11.7
108.37103	0.6
150.98006	1.6
152.99582	100.0
153.99925	1.1
167.65503	0.7
171.00616	3.6
184.36914	0.6
195.28354	0.6
209.11842	3.5
223.00114	10.6
241.01186	26.7
255.39565	0.6
257.28143	0.7
259.02228	1.6
279.23273	67.3
280.23666	4.2
311.22092	1.1
315.04871	17.2
316.05222	0.9
333.05975	1.4
416.06723	0.6
595.28851	84.9
596.29187	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	596.235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95228	0.2
54.59955	0.2
59.01372	0.9
61.98829	100.0
64.07442	0.2
69.23061	0.8
69.23490	1.0
71.01393	0.6
73.02960	0.2
75.00878	0.2
85.02959	0.3
89.02451	0.4
89.80716	0.2
95.01379	0.3
97.02956	0.2
101.02450	0.3
107.01382	1.1
111.00881	0.3
113.02463	0.2
117.03458	0.2
119.05042	0.2
121.02969	0.3
123.00908	0.7
125.02451	2.6
133.02992	0.3
135.04567	0.4
138.03259	0.3
139.00319	0.3
140.01202	0.3
145.02931	1.3
151.00383	0.7
153.05614	0.4
161.02448	1.4
163.04015	0.3
168.00638	0.3
169.01428	3.7
170.01741	0.3
211.02510	0.3
241.03697	0.2
283.04688	0.5
303.55319	0.2
307.38434	0.2
343.06830	0.8
533.23877	2.8
534.24725	0.3
585.81177	0.2
596.23950	0.7
597.21759	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	595.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70035	0.3
59.01375	10.4
59.27713	0.3
60.84933	0.3
61.61395	0.3
61.98829	9.3
65.00343	0.3
65.71935	0.4
67.76536	0.3
69.42438	2.7
71.01384	4.3
72.99308	1.6
73.02942	1.9
75.00873	0.7
81.03450	0.3
83.01387	0.7
83.55970	0.3
85.02940	1.4
89.02443	2.5
93.03458	5.3
95.01398	0.7
97.02941	0.6
101.02430	3.2
103.04015	2.5
107.01400	1.2
117.03546	0.4
119.03506	1.1
119.05027	0.7
121.02954	100.0
121.59510	0.3
122.03256	2.9
123.00886	1.4
123.04520	0.5
125.02448	4.8
135.04529	2.9
137.02443	4.4
141.19580	0.3
145.02962	0.8
145.05164	0.4
147.04643	0.4
151.00357	3.3
151.03963	0.4
161.02444	0.6
163.03989	0.7
163.06119	3.1
168.00578	0.6
169.01439	2.2
179.10762	0.6
184.79396	0.3
197.06029	0.8
201.12802	0.4
227.03554	0.5
227.07106	4.2
247.08191	1.0
255.02806	0.5
257.03723	0.5
269.13901	1.0
274.60657	0.4
285.03998	1.2
286.04291	0.8
287.05585	2.7
289.09332	0.4
290.13135	0.4
307.10443	3.0
323.07712	0.4
427.12476	1.7
429.13983	9.2
456.91522	0.4
551.24390	0.5
595.13989	1.1
595.22638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42000	0.7
52.52793	0.7
59.01387	5.7
59.56686	0.7
60.99309	14.2
61.98833	35.3
71.01381	3.1
71.52157	1.0
73.02953	1.0
85.02985	1.1
87.00896	1.4
88.00397	1.5
88.98809	100.0
89.02448	12.5
95.01420	1.0
96.96011	2.9
97.02950	0.8
101.02446	2.3
104.19726	0.7
107.01435	0.7
109.02946	1.5
109.68490	0.8
120.67010	0.8
123.00900	1.3
125.02471	5.2
139.00400	1.0
151.00444	1.1
151.58408	0.8
168.00671	1.1
169.01457	4.3
197.11861	4.8
227.03619	0.8
287.05566	1.1
397.13562	2.2
415.14722	1.0
448.70132	0.8
595.20660	3.9
595.33228	1.2
596.21191	0.9
612.82428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.9
59.01382	24.6
59.71852	1.0
60.99331	1.1
61.98837	10.7
69.03445	0.9
69.54811	3.0
69.55224	3.9
71.01385	15.9
72.51456	0.9
72.99316	7.3
75.00867	1.4
80.05067	4.0
81.03445	1.4
83.01391	3.8
85.02958	4.0
87.00867	1.7
88.98808	2.2
89.02448	9.5
89.06938	0.9
93.03476	1.4
94.06633	3.2
95.01376	1.6
96.96022	1.3
97.01707	2.9
98.20668	1.4
98.92302	1.0
101.02443	9.4
104.05055	1.3
106.06630	2.7
107.01385	3.0
108.02226	1.2
108.04534	1.4
109.02978	1.9
113.02438	5.8
117.03480	1.0
119.03526	3.1
119.04999	1.4
120.04568	4.6
121.02950	1.3
121.05354	4.9
122.06117	13.8
123.00851	1.9
123.04520	1.1
124.07683	18.3
125.02444	20.2
136.04033	2.3
139.04031	1.4
140.07204	1.9
143.04565	1.1
145.02924	1.7
148.04042	40.5
149.02441	0.9
149.04430	1.5
150.05602	17.6
151.00391	3.4
152.01111	1.8
152.07173	1.2
153.01929	4.3
164.07124	1.5
166.05090	3.8
168.00529	1.2
168.06651	3.9
169.01411	3.5
173.06123	2.0
178.99872	3.4
189.94528	1.0
190.05075	1.2
194.04605	1.5
211.02562	1.2
213.10556	2.0
215.07022	2.0
225.06784	2.1
229.09747	4.5
229.13507	1.5
230.10550	1.4
231.11389	17.2
239.08278	2.1
240.09007	4.2
241.09711	1.0
243.06891	1.3
244.12215	2.2
255.02847	1.9
255.11392	45.5
256.11731	2.9
257.09299	3.3
259.06104	21.8
259.10632	1.8
260.06467	1.8
269.04550	6.3
272.09137	1.2
272.11591	6.3
273.12402	23.6
275.10413	2.7
283.06165	2.9
287.05594	12.2
301.07111	1.3
317.11188	1.1
365.53918	1.0
373.25479	1.3
416.12146	1.5
435.17572	9.6
448.36862	0.9
453.18762	48.7
453.25073	2.4
454.19131	3.5
479.16754	8.6
496.16949	3.1
497.17798	100.0
498.18118	9.0
567.15088	3.1
595.14905	2.4
595.25262	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	595.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07597	0.6
54.79543	0.7
59.01379	3.7
71.01364	3.1
71.51130	1.1
73.02917	0.8
85.02984	1.0
89.02425	2.4
96.95998	1.9
101.02445	1.2
119.03546	0.7
125.02396	0.8
143.70880	0.8
152.81627	0.7
169.01405	1.5
185.02460	1.1
200.01164	0.9
201.01889	0.8
242.99255	2.5
243.99956	1.7
257.00940	2.4
270.98853	27.0
271.99231	2.0
273.00555	0.9
283.99615	1.2
298.01147	1.2
298.94806	0.8
298.98315	31.0
299.99103	74.4
300.99857	43.6
301.03433	1.3
302.00272	2.6
312.99606	3.5
327.01447	1.6
327.08362	0.9
328.99271	2.7
353.06436	0.8
371.07739	0.8
397.05539	2.4
415.06754	1.7
415.19846	2.6
432.03113	1.1
433.04114	10.9
434.04001	0.9
445.33014	0.8
462.04276	3.8
463.05136	17.3
464.05212	1.1
491.21213	1.7
551.14172	1.0
595.09369	100.0
596.09692	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	595.2033
Annotation	Staunoside C
Peak:m/z	Relative Intensity
55.01870	1.0
59.01381	17.0
61.08818	0.7
61.98823	1.1
67.01887	0.8
69.21056	7.1
71.01382	13.2
72.99313	1.0
73.02943	2.0
79.01879	0.7
83.01389	2.2
85.02956	4.8
87.00870	1.4
89.02448	8.1
89.80475	0.7
90.08310	0.7
95.01391	2.4
96.96003	2.6
99.00834	1.0
101.02442	10.2
107.01395	4.4
110.53165	0.7
111.00864	2.2
113.02457	6.0
119.03486	3.1
121.02985	1.8
123.00888	14.7
125.02449	17.6
127.00441	1.2
137.62500	0.7
139.00369	6.6
140.01140	2.7
141.01930	2.7
151.00366	10.4
151.04051	0.8
153.02003	1.3
168.00658	2.8
168.99992	1.5
169.01425	22.5
181.05029	0.7
189.69739	0.7
209.04581	1.6
211.02365	2.2
271.04520	1.8
313.05536	0.9
359.14908	1.0
426.56467	0.8
443.13165	0.9
443.19241	22.0
551.21362	23.2
552.21686	3.4
577.19000	3.5
595.20313	100.0
596.20642	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	594.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.1
61.98831	100.0
63.99265	0.2
71.01395	0.9
73.06038	0.2
78.95920	0.3
79.95747	0.2
85.02950	0.3
88.98818	0.2
89.02444	0.5
98.20749	0.3
101.02454	0.3
118.58324	0.2
123.04524	0.2
125.02475	0.3
131.03513	0.3
137.58456	0.2
154.95610	0.2
157.66827	0.2
161.09755	0.2
169.01489	0.2
179.10805	0.6
180.06131	0.2
180.11139	0.2
194.81013	0.2
252.07185	0.2
321.32376	0.2
594.15912	0.2
594.29956	0.6
595.31042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81602	0.7
57.03434	1.3
59.01379	18.1
61.98830	6.6
70.92884	0.6
70.93224	1.5
71.01373	2.1
73.02959	0.6
78.95480	0.9
78.95911	9.5
79.95739	4.7
80.96519	8.0
81.95345	0.7
94.98070	2.4
96.95979	0.8
101.10094	0.6
105.45699	0.8
113.09734	1.9
117.89497	0.8
119.94454	0.7
130.97963	0.8
135.28517	0.7
136.39754	0.7
148.47369	0.7
148.99179	0.8
152.99594	2.7
164.98576	0.8
168.04294	1.7
179.14421	0.9
195.13902	19.0
209.11740	0.9
224.06956	0.9
225.00810	1.9
231.83937	0.7
242.07986	3.8
277.21729	15.8
278.21997	1.1
295.22775	100.0
296.23166	7.8
398.63745	0.8
449.22873	1.4
520.30414	66.5
521.30634	7.0
594.15747	1.1
594.26538	17.2
595.26697	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	595.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07597	0.6
54.79543	0.7
59.01379	3.7
71.01364	3.1
71.51130	1.1
73.02917	0.8
85.02984	1.0
89.02425	2.4
96.95998	1.9
101.02445	1.2
119.03546	0.7
125.02396	0.8
143.70880	0.8
152.81627	0.7
169.01405	1.5
185.02460	1.1
200.01164	0.9
201.01889	0.8
242.99255	2.5
243.99956	1.7
257.00940	2.4
270.98853	27.0
271.99231	2.0
273.00555	0.9
283.99615	1.2
298.01147	1.2
298.94806	0.8
298.98315	31.0
299.99103	74.4
300.99857	43.6
301.03433	1.3
302.00272	2.6
312.99606	3.5
327.01447	1.6
327.08362	0.9
328.99271	2.7
353.06436	0.8
371.07739	0.8
397.05539	2.4
415.06754	1.7
415.19846	2.6
432.03113	1.1
433.04114	10.9
434.04001	0.9
445.33014	0.8
462.04276	3.8
463.05136	17.3
464.05212	1.1
491.21213	1.7
551.14172	1.0
595.09369	100.0
596.09692	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	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96381	0.6
59.01390	1.0
59.79112	0.6
61.29148	0.6
61.53031	0.6
65.75336	0.6
70.24805	1.7
70.25190	1.3
73.66346	0.6
78.95903	67.5
84.45285	0.7
96.93677	0.7
96.96966	11.8
104.90752	0.6
119.98074	0.7
143.31784	0.7
150.97993	1.0
152.99585	100.0
154.00011	0.8
171.00616	2.9
223.00119	9.2
241.01184	27.0
259.02225	1.8
277.21707	46.3
278.22049	2.2
315.04834	15.0
333.05807	1.6
409.44205	0.7
593.27307	78.9
594.27612	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	594.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
61.98835	100.0
63.99259	0.4
71.01394	0.5
73.02944	0.3
76.87128	0.2
83.01426	0.2
89.02428	0.4
101.02451	0.4
108.21399	0.2
109.67944	0.2
111.00890	0.3
113.02502	0.2
116.92986	0.3
123.00897	0.4
125.02472	2.2
126.02791	0.4
137.29607	0.2
138.03255	0.5
139.00371	0.2
140.01314	0.2
145.03040	0.2
153.05580	0.5
166.99916	0.3
168.00699	0.4
169.01418	1.7
170.01804	0.4
203.29276	0.2
212.71249	0.2
214.41139	0.2
255.03123	0.4
284.03159	0.3
285.03989	1.2
286.04340	1.0
345.51559	0.3
468.55194	0.3
469.05115	0.7
594.14673	0.5
594.23328	0.4
595.23834	0.7
595.33093	0.4
614.26135	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17880	0.8
52.52462	0.6
54.84111	0.7
69.35960	5.1
83.01366	0.8
87.66578	0.7
93.03440	3.0
94.64639	0.7
98.19900	1.4
107.01376	3.5
109.02947	0.8
109.04308	0.8
110.76868	0.8
132.02155	1.1
135.00861	1.0
143.05013	1.4
151.00380	3.0
154.04247	0.7
157.06599	0.9
159.04518	1.3
163.00383	3.1
171.04529	1.1
173.06174	0.8
183.04521	1.0
185.06087	2.1
187.04021	4.8
189.05588	1.5
195.04402	0.9
197.06068	1.1
199.03911	0.9
200.04779	0.8
201.05536	1.1
211.04033	2.8
213.05565	2.4
227.03490	37.9
228.03889	1.5
229.05034	15.3
239.03517	1.8
240.04221	1.0
241.04982	1.9
255.02977	69.0
256.03613	6.8
257.04535	7.9
267.02930	1.4
283.02432	1.1
284.03256	58.4
285.04019	90.2
286.04303	5.0
327.05359	0.8
392.49973	0.7
593.15063	100.0
594.15320	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40110	0.4
63.02398	0.6
65.00319	0.6
69.55234	0.4
69.61034	3.0
70.64196	0.4
71.49525	0.4
72.14069	0.4
72.38177	0.4
72.61529	0.4
85.12835	0.4
98.19897	0.8
99.77602	0.5
107.01389	1.2
132.02196	1.0
135.00854	0.9
151.00381	2.0
163.00337	0.5
173.00563	0.4
178.99820	1.4
183.04495	1.3
187.03986	0.7
200.04659	0.6
200.32257	0.6
211.03983	1.7
227.03491	38.9
228.03848	2.8
229.05069	2.0
239.03525	0.9
255.02983	70.4
256.03506	8.1
257.04440	1.8
283.02429	2.0
284.03259	100.0
285.03894	15.5
286.04465	0.8
327.05261	0.5
429.08197	1.4
593.15082	67.4
594.15436	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	593.2638
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.22593	0.6
59.01376	1.1
61.98830	11.8
63.96228	1.0
67.13455	0.7
69.19711	4.5
69.20121	1.5
71.01382	5.1
73.02927	1.7
78.95903	1.0
78.98595	4.1
79.95743	33.2
80.96519	50.3
83.01379	0.8
85.02964	1.5
87.00885	1.6
94.98091	12.3
96.96005	1.7
97.02927	1.7
97.06513	0.6
101.02435	2.4
106.98077	3.3
122.97629	4.3
125.02425	2.1
127.04065	0.7
134.97589	4.1
136.99084	1.1
145.62030	0.6
148.99133	3.9
152.98621	4.3
161.04520	0.7
164.98640	10.0
170.68282	0.6
182.60286	0.6
182.99678	1.8
206.99651	2.8
225.00745	13.6
227.03450	1.1
241.00290	1.1
243.01848	1.7
255.02913	2.0
284.03162	2.5
285.03946	1.2
299.04300	3.4
371.06451	1.3
399.09659	1.5
413.11252	1.6
455.15842	2.5
495.18933	2.1
523.18433	0.8
593.26331	100.0
594.26678	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	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81134	1.0
59.01370	2.3
61.98829	3.0
70.50873	3.1
71.01398	1.1
78.95905	81.6
83.05016	1.7
88.63732	0.9
89.62347	1.1
91.24435	1.1
96.96962	17.6
110.05319	0.9
111.08156	1.9
113.18828	1.0
121.02947	1.5
149.01939	1.0
151.21535	1.0
152.99588	87.8
153.99922	1.2
155.18172	0.9
163.11270	1.4
165.12766	1.2
171.00647	2.1
183.59686	0.9
197.11839	5.4
207.10193	1.2
209.11821	32.6
210.12001	1.2
211.13495	1.4
216.14442	1.0
223.00020	1.6
225.11316	2.6
227.03354	1.5
227.12880	2.8
241.01199	34.4
255.03023	2.5
277.21713	54.4
278.22064	4.9
284.03201	2.7
291.19574	2.2
309.20682	3.4
311.22198	1.3
315.04816	12.0
320.38715	1.2
413.21075	6.0
431.22098	6.3
458.04825	1.0
593.27301	100.0
594.27747	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	593.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08100	0.7
59.01373	2.3
61.98830	15.9
63.02406	1.1
63.73625	0.6
65.00327	1.1
69.30988	5.8
70.57627	0.6
72.99327	1.6
74.99096	2.1
78.95929	0.6
83.01389	1.6
85.02979	0.7
87.00900	0.8
89.02435	0.7
93.03481	2.4
95.01382	1.5
98.19884	1.4
101.02441	1.2
107.01400	5.5
109.02974	0.9
117.03455	3.8
119.05012	4.3
123.00888	3.6
125.02456	9.2
132.02176	1.4
135.00909	2.6
136.99123	2.2
139.00359	1.3
140.01126	1.0
143.04980	0.9
145.02950	15.3
151.00360	6.8
157.06653	0.8
159.04468	1.2
163.00381	3.2
163.04050	2.7
164.01172	1.5
165.01840	0.9
166.99864	2.4
167.05119	0.9
168.00645	3.4
169.01434	13.2
170.01801	0.9
171.04536	1.1
183.04539	1.3
185.06038	2.4
187.04024	3.1
189.05602	1.0
190.99872	0.8
195.04465	0.7
197.06052	1.4
199.04063	2.0
200.04738	0.9
205.05048	0.8
211.03983	3.7
212.04726	0.9
213.05554	1.6
216.64595	0.7
226.02692	0.7
227.03497	44.4
228.03883	2.8
229.05058	9.5
239.03595	2.4
241.05072	2.1
255.02982	72.0
256.03641	9.9
257.04556	6.6
284.03259	90.3
285.04019	100.0
286.04346	4.7
307.08243	5.7
311.22433	1.0
325.03510	1.5
429.08179	0.9
447.09430	5.6
468.04279	0.9
468.54822	6.4
469.04773	3.4
469.55026	0.9
485.30191	0.7
593.13080	84.5
594.13324	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	593.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.0
61.98830	10.0
63.02410	1.1
65.00330	1.1
71.52016	0.8
73.02947	0.5
83.01403	0.7
85.02942	0.5
89.02481	0.4
93.03457	1.2
95.01392	0.5
101.02454	0.9
107.01389	3.4
108.02171	0.5
109.02943	1.2
114.26246	0.4
117.03459	6.4
119.05032	3.9
123.00903	1.3
124.01619	0.4
125.02419	4.0
131.03564	0.5
132.02196	1.2
133.02965	1.9
135.00896	1.5
145.02950	17.2
149.02440	0.7
151.00374	6.1
159.04527	0.6
161.02382	0.5
163.00398	1.5
163.04036	2.4
164.01176	0.7
166.99829	0.6
168.00630	1.1
169.01428	5.4
169.06490	0.6
171.04544	0.5
175.03975	1.0
177.01955	0.4
183.04526	1.6
185.06071	1.6
187.03951	2.0
189.05550	0.8
197.06013	0.8
199.04016	2.0
200.04832	0.6
210.46988	0.5
211.04004	2.6
212.04649	0.7
213.05562	1.6
217.05165	0.7
225.02052	0.5
227.03485	33.4
228.03874	2.0
229.05034	6.2
237.14948	0.5
238.15367	0.5
239.03441	1.2
241.05031	0.9
243.02992	0.7
255.02977	58.8
256.03607	8.5
257.04617	4.7
260.15512	0.4
267.03070	0.6
283.02460	1.1
284.03253	71.0
285.04016	100.0
286.04352	5.7
307.08340	2.5
327.05139	1.0
447.09317	4.9
468.54837	2.7
469.04990	1.3
557.12927	0.5
593.13000	93.9
594.13300	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	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02402	0.7
65.00336	0.4
65.52179	0.3
83.01374	0.4
85.85465	0.3
86.58544	0.3
89.02449	0.3
93.03447	0.6
98.20647	0.9
107.01402	1.5
125.02431	0.3
125.37640	0.3
132.02197	1.1
135.00906	1.5
143.05060	0.5
151.00374	2.9
152.01146	0.3
159.04564	0.5
163.00359	1.5
164.01161	0.4
167.04974	0.7
169.01453	0.5
171.04578	0.4
173.06097	0.3
178.99809	1.0
182.38629	0.3
183.04498	1.1
185.02524	0.3
185.06036	0.6
187.04004	1.1
189.05544	0.4
190.99995	0.3
199.04037	0.5
211.04027	1.8
213.05530	0.6
227.03490	39.9
228.03874	2.3
229.05069	3.0
239.03404	0.8
240.03954	0.3
241.04898	0.4
246.51584	0.3
255.02980	71.1
256.03531	7.9
257.04587	2.4
267.02805	0.5
283.02493	0.9
284.03256	100.0
285.03961	28.6
286.04349	1.0
313.98370	0.3
327.05167	0.6
429.08151	1.8
441.10168	0.3
593.15088	68.0
594.15417	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	592.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53692	0.4
59.01379	15.0
60.01719	1.1
61.98830	100.0
71.01378	8.2
72.01743	0.8
73.02952	1.4
75.00864	0.5
78.20048	0.4
78.95895	0.5
83.01405	0.7
85.02962	2.4
88.74780	0.4
89.02449	8.1
90.02796	1.4
95.01383	0.9
98.19914	1.6
99.00866	0.8
101.02441	5.9
102.02800	0.8
111.00912	0.5
113.02447	3.1
114.02800	0.7
119.03484	2.5
120.03846	0.7
123.00895	0.7
125.02434	4.5
131.03500	2.9
132.03905	0.8
143.03484	0.6
149.04562	2.9
150.04979	0.6
161.04630	1.9
166.99864	0.5
168.00639	0.5
169.01427	3.0
172.10687	0.4
179.05630	1.8
191.05623	2.3
192.05951	0.9
201.11340	0.5
211.02611	0.4
214.60649	0.4
227.03644	0.7
229.55110	0.4
236.34332	0.4
237.15079	0.5
255.02994	1.0
284.03259	1.2
285.04019	5.6
285.06757	0.6
331.56339	0.5
376.91257	0.4
399.23895	3.4
400.24170	8.9
401.24814	0.4
468.55072	0.9
469.05399	0.6
476.13199	0.5
532.28546	2.6
593.14331	1.0
593.23077	0.5
614.36755	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.5
60.28210	0.3
61.98831	100.0
71.01376	0.6
77.00564	0.3
78.95498	0.4
78.95921	1.4
79.95763	0.6
80.96525	1.4
94.98101	0.3
97.01981	0.3
172.81061	0.3
186.22720	0.3
209.11882	0.7
229.49586	0.5
255.03056	0.5
269.74435	0.4
284.03217	0.7
326.05145	0.3
356.38394	0.3
357.20709	0.6
375.22040	0.7
592.25714	1.3
593.16278	0.7
593.27319	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97473	0.8
57.03442	2.0
59.01375	8.3
59.25681	0.7
60.99303	5.3
61.98817	1.8
69.03396	0.9
69.70149	5.1
71.01377	5.3
74.45281	0.7
81.03470	2.4
83.01398	3.9
85.02966	2.6
87.00874	3.8
88.98806	36.0
88.99359	2.0
89.02433	6.1
93.03448	1.6
95.01405	1.0
95.05042	1.7
96.96015	3.6
97.02955	5.6
99.00873	1.2
101.02422	4.4
107.01395	3.3
107.05045	1.0
108.02184	2.9
109.02953	19.6
111.00867	1.6
111.89845	0.8
113.02453	2.4
121.02941	2.8
123.00864	7.7
123.04526	11.9
125.01517	2.0
125.02449	33.9
133.06622	1.1
135.04449	1.3
137.02449	21.9
138.39786	0.9
139.00348	2.6
139.03987	2.9
139.07704	1.2
141.01907	1.6
145.02936	1.2
146.03729	1.4
149.02441	3.7
151.00378	7.1
151.04045	9.4
152.01143	3.0
153.01907	1.4
159.04538	3.0
160.05194	1.3
161.02422	1.0
161.06075	5.6
162.03226	0.9
163.00298	1.0
163.03975	2.1
164.01160	3.7
165.01906	5.3
165.05743	0.8
167.03502	1.9
168.00627	4.5
169.01425	19.1
173.06065	1.0
174.03175	1.0
175.03979	2.8
175.07651	1.5
177.05650	0.9
178.99855	2.0
179.03479	8.5
182.85178	1.0
185.06032	1.2
187.04005	5.6
188.04767	4.9
193.01309	1.2
199.07668	1.0
203.07132	15.2
205.05037	11.4
211.02425	11.0
211.04105	1.1
217.04958	1.4
221.08185	2.7
227.03520	11.4
227.07082	2.7
229.05025	1.5
231.03140	0.9
243.02959	3.6
245.08174	23.9
246.08571	1.8
247.06094	1.1
251.12842	2.0
255.02971	28.8
256.03430	1.7
271.02414	15.3
271.04694	10.1
272.02643	1.0
284.03287	26.4
285.03986	9.4
289.07162	78.3
290.07547	4.4
299.28937	1.0
300.02737	34.5
301.03177	2.3
331.06812	1.1
331.34207	1.1
395.08002	1.1
397.18796	1.0
441.08246	100.0
441.17923	3.5
442.08652	9.6
447.09399	0.9
472.98206	1.0
482.14337	2.9
483.15063	2.6
549.20038	4.6
560.49774	0.9
575.14142	2.6
593.14746	40.8
594.15063	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	593.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40155	0.7
59.01384	1.3
61.98829	4.3
63.02392	1.2
65.00333	1.2
69.32269	2.1
69.32696	3.8
80.14977	0.6
83.01419	1.0
84.30849	0.7
91.40195	0.6
93.03455	1.2
99.87423	0.6
107.01385	2.9
107.93871	0.7
109.02975	0.8
117.03425	3.5
119.05037	4.0
123.00909	0.8
125.02459	1.6
132.02182	1.0
135.00888	1.9
143.05002	1.2
145.02954	13.1
147.04468	0.8
151.00356	5.0
157.06569	1.0
159.04442	0.8
161.02420	0.8
163.00349	2.1
163.04039	2.6
164.01108	0.7
165.01968	1.0
169.01402	2.0
171.04422	1.1
185.06065	2.2
187.03998	3.5
189.05513	0.8
195.04605	0.9
197.06029	1.3
199.04089	1.4
211.03969	2.5
212.04837	1.0
213.05547	2.1
222.24974	0.7
223.93372	0.8
227.03491	40.1
228.03900	2.5
229.05045	9.5
239.03424	2.5
241.05048	1.5
255.02972	69.6
256.03662	11.1
257.04510	7.4
267.02969	1.2
283.02570	0.8
283.99948	1.5
284.03250	76.3
285.04016	100.0
286.04282	5.3
307.08182	6.4
447.09485	4.0
468.54614	1.1
593.13007	96.4
594.13409	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	591.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49286	1.2
55.01887	3.3
56.74097	1.1
57.03444	3.5
58.00599	2.1
59.01381	100.0
61.98833	47.3
68.75647	1.4
71.01384	73.6
72.99292	4.2
73.02954	13.8
78.95908	4.2
83.01378	6.2
85.02957	21.8
87.00861	3.8
89.02446	75.3
95.01363	4.5
97.02949	2.2
99.00861	8.1
101.02441	53.6
101.03107	2.8
113.01719	2.1
113.02446	23.5
119.03498	22.3
125.02454	8.6
129.01941	2.1
129.23514	1.5
131.02542	2.6
131.03502	36.6
140.01109	1.5
143.03485	7.8
149.04556	35.4
152.99611	2.5
157.26067	1.4
161.04512	16.0
169.01440	2.8
171.10254	1.2
179.05594	24.3
191.04012	1.9
191.05626	29.6
211.13312	1.4
216.24997	1.4
221.06697	1.6
241.83904	1.4
267.54514	1.5
293.08475	1.4
371.24210	1.8
399.23911	28.1
400.24033	2.2
423.27344	2.8
441.28369	6.5
459.29672	21.9
460.29672	2.6
477.40521	1.6
493.77527	1.6
531.27576	8.1
591.26605	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	592.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81487	0.2
54.98064	0.2
57.75428	0.2
59.01379	3.0
61.98829	100.0
62.98536	0.2
71.01382	1.5
72.99332	0.2
73.02927	0.3
76.60503	0.2
78.95921	0.6
82.95303	0.2
83.01382	0.5
85.02954	0.4
85.82996	0.2
89.02460	1.5
96.96929	0.3
98.19921	0.4
101.02431	1.2
102.02821	0.4
113.02438	0.3
115.11806	0.3
115.25198	0.2
116.38320	0.2
119.03481	0.4
123.00898	0.2
125.02442	3.6
131.03543	0.9
149.04547	0.5
151.00429	0.5
152.99545	0.3
161.04630	0.4
167.29327	0.2
169.01476	0.7
171.10300	0.5
174.74451	0.2
178.99854	0.4
191.05585	0.4
201.11319	0.4
210.12300	0.2
226.02823	0.4
227.03584	0.5
243.02988	1.0
254.02243	0.4
255.03032	1.2
271.02444	3.5
284.03354	1.0
300.02753	2.8
301.03604	1.2
399.23975	0.3
400.24503	0.7
401.25439	0.8
592.26282	0.3
593.13116	3.9
593.22217	0.4
601.11108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38999	0.6
56.86268	0.6
60.58867	0.5
61.98819	1.2
70.48920	0.6
71.50406	1.1
72.99305	2.1
75.00877	100.0
76.01203	0.8
78.95915	1.2
136.05089	0.6
138.84384	0.5
209.11858	0.9
288.11679	0.7
288.96326	0.6
545.37238	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90059	0.2
55.98474	0.2
61.98832	100.0
69.90683	1.1
71.01380	0.2
78.95934	0.6
79.76930	0.2
90.62684	0.2
102.25647	0.2
152.99594	0.2
155.59863	0.3
163.80560	0.2
178.08798	0.2
209.12126	0.3
211.13379	0.4
251.05324	0.3
271.86337	0.3
395.54962	0.2
496.98361	0.3
591.25085	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.318
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
66.85522	0.7
69.36752	6.0
76.72705	0.7
78.95898	9.1
83.99170	0.7
88.65517	0.9
89.90908	0.8
93.76887	0.7
152.99545	3.7
162.05458	0.8
171.10313	1.0
187.26305	0.8
209.11909	1.4
211.13361	3.4
371.61716	0.8
434.33911	0.8
588.49554	0.9
590.34015	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37914	0.3
59.01376	0.4
66.58865	0.3
68.67581	0.3
71.01385	0.9
71.50237	0.4
79.95739	2.4
85.02913	0.3
87.00875	2.8
87.64933	0.3
96.96011	100.0
97.02927	0.5
97.95932	0.5
101.02428	0.4
107.01453	0.3
113.02467	0.3
123.00894	1.3
125.02448	7.4
126.02868	0.3
137.02443	1.0
144.86646	0.3
145.70393	0.3
151.00381	1.6
151.04065	0.4
165.01881	0.3
168.00629	0.5
169.01416	8.5
178.37947	0.3
179.03461	0.7
205.01474	0.5
211.02498	1.0
223.02574	0.9
239.01846	0.4
261.21011	0.3
266.98215	0.7
269.41086	0.3
271.04532	1.7
278.98184	0.7
313.05646	11.3
314.06076	0.4
493.11966	14.8
494.12222	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	591.2612
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
59.69913	0.3
64.90969	0.4
66.64521	0.3
84.71232	0.3
88.32774	0.3
118.89492	0.4
161.04758	0.4
174.05634	0.4
182.29721	0.3
193.80826	0.4
229.35544	0.4
376.95410	0.4
396.17319	0.5
443.22968	2.4
444.18872	0.7
445.20111	1.2
445.25180	0.6
447.25357	0.7
455.22598	0.8
456.23407	0.8
458.21198	0.8
459.21591	2.7
471.21179	1.5
471.25824	2.0
472.22784	1.5
473.24008	0.6
482.21143	1.2
483.22406	0.6
485.19937	1.4
486.20837	0.5
487.25635	3.2
497.23474	3.5
498.23962	0.7
499.21146	2.6
500.22131	10.5
501.22345	0.9
503.20551	0.5
513.23340	0.6
514.23633	1.0
515.24506	100.0
516.24835	14.4
518.23236	0.9
519.23944	0.7
547.26892	0.5
559.23553	4.1
560.23840	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	588.23
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.4
61.98831	14.2
69.51733	2.0
69.52141	2.9
70.07175	0.7
71.01390	4.1
71.89256	0.8
73.32210	0.8
85.02920	1.0
92.37003	0.7
95.01408	1.1
96.95984	1.1
101.02412	1.2
107.01398	2.4
111.00881	1.8
113.02460	1.3
123.00901	8.5
125.02448	10.7
128.03532	2.7
136.98816	1.5
139.00381	3.6
140.01143	2.1
141.01926	0.9
146.04768	0.9
151.00357	6.7
168.00644	3.6
169.01443	16.8
211.02438	4.3
223.45172	0.8
241.03305	0.8
271.04581	3.7
313.05542	1.3
525.23419	100.0
526.23767	9.2
588.23242	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	588.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	1.0
59.01386	3.0
61.98835	5.6
69.33945	7.2
69.44357	0.7
71.01385	2.4
85.02950	1.7
95.01361	1.9
96.96008	1.9
98.95619	1.7
101.02429	1.1
107.01395	2.8
111.00866	1.4
113.02438	1.3
123.00893	9.3
125.02457	10.0
139.00404	4.2
140.01128	1.5
141.01917	1.0
151.00383	7.7
168.00589	1.5
169.01434	13.6
170.01744	0.9
183.02930	1.3
211.02650	1.1
292.66479	0.8
306.06543	0.8
313.05661	1.3
349.60425	0.8
436.13272	1.3
479.73126	0.8
525.23401	100.0
526.23438	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	589.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74569	1.9
55.01876	2.6
56.25370	1.7
57.03447	3.9
59.01377	100.0
61.98828	21.1
69.03426	3.8
71.01382	99.7
72.99307	7.5
73.02951	16.8
73.74446	1.8
75.00879	3.7
82.95400	5.8
83.01395	7.2
85.02946	29.3
87.00871	10.7
88.98814	2.1
89.02443	10.4
95.01399	5.3
96.96010	22.7
97.02952	4.5
99.00884	8.8
99.04511	3.4
101.02441	35.5
107.01391	2.3
113.02451	35.4
119.03506	3.2
119.05019	6.6
123.00889	3.0
125.02434	20.1
127.04092	2.6
131.03514	23.5
137.02409	2.9
143.03516	8.7
151.00421	4.0
153.01962	2.3
161.04544	7.4
163.03978	4.5
168.00659	2.6
169.01385	14.6
173.04568	2.6
209.15469	13.8
211.02492	3.6
215.05634	4.2
217.25491	1.9
233.40128	1.9
256.45773	2.4
275.07602	2.9
302.50537	2.3
353.19708	5.4
371.20728	25.6
372.20724	2.4
411.20291	6.5
427.26923	4.3
437.11157	5.5
485.23895	91.8
486.24222	8.1
499.18100	3.5
503.24872	11.2
545.25995	5.7
546.26221	3.4
553.23108	3.1
571.21600	2.4
589.12665	3.9
589.28754	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.2
58.00605	2.3
58.44732	1.7
59.01378	100.0
61.98832	17.3
69.18770	17.6
70.87237	1.3
71.01381	53.2
72.57586	1.5
72.99297	3.3
73.02933	7.9
76.94308	1.6
83.01375	4.9
85.02957	10.7
87.00879	2.1
88.04042	2.3
89.02443	72.6
93.37588	1.5
99.00869	4.8
101.02444	38.7
101.03108	3.0
104.55626	1.9
112.04000	1.8
113.02460	10.3
119.03484	8.1
123.00919	2.9
125.02430	6.9
129.01903	2.6
131.03503	57.7
132.03000	7.3
143.03572	2.0
149.04558	58.4
153.37845	1.7
161.04547	3.5
169.01431	6.8
171.10330	2.5
179.05624	1.9
191.05611	43.8
191.07367	2.1
219.49147	1.8
221.06483	3.0
251.07756	2.6
289.06995	4.6
299.13898	1.9
364.31769	1.8
397.22229	9.7
529.26343	2.6
548.94733	2.1
589.24017	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	589.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51594	1.7
54.50849	1.6
58.00603	1.5
58.44171	1.3
59.01382	100.0
61.37210	1.5
61.98825	7.1
67.51629	1.4
68.20267	1.4
71.00757	3.2
71.01385	53.1
72.77985	1.7
72.99306	3.2
73.02944	5.9
73.60049	1.6
83.01396	2.4
85.02939	8.8
87.00908	2.0
89.02450	65.7
99.00856	6.1
101.02450	35.4
113.02455	12.3
118.79486	1.6
119.03522	8.2
121.10184	1.7
121.27841	1.6
125.02432	3.0
125.74103	1.5
129.02011	2.0
131.03506	53.8
138.93846	1.6
143.03459	2.2
149.04562	44.2
161.04550	6.1
169.01389	1.8
179.05603	3.4
191.05621	46.3
199.09758	1.5
251.07751	2.8
307.25653	1.6
360.18005	1.8
397.22369	9.8
436.82800	1.8
529.26575	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	588.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26764	0.7
53.74750	0.7
56.30770	0.8
58.02969	3.2
59.01376	1.6
61.98825	1.6
69.45911	3.4
69.46323	1.7
70.02975	2.3
71.01386	1.3
71.78680	0.7
83.05023	0.8
85.02948	5.6
87.00870	1.7
91.05520	1.4
93.03470	3.5
109.02959	0.9
119.05025	0.8
123.73878	0.7
125.02431	3.2
125.79655	0.6
127.04005	1.4
147.04520	6.2
151.35402	0.8
163.04051	1.4
164.07159	16.2
164.08553	1.0
169.01408	2.2
173.04463	1.6
191.05606	100.0
192.05962	1.9
206.08206	21.2
276.30945	0.8
337.05453	0.7
337.09256	21.4
337.13318	1.3
338.09720	0.9
347.74155	0.9
367.90955	0.7
406.06238	0.7
525.15399	0.9
570.13257	1.1
588.14325	2.3
588.23816	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	588.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47124	1.9
53.57389	1.5
59.01378	19.8
61.98827	23.2
71.01386	13.0
71.52483	3.0
73.02948	2.9
75.43570	1.9
78.00919	1.9
83.01369	2.3
83.05503	1.7
85.02938	4.3
89.02458	8.9
93.03436	1.9
95.01373	3.3
96.96013	9.3
97.02950	1.8
99.00868	2.2
99.58683	1.8
101.02425	5.2
107.01381	7.2
113.02448	6.3
123.00887	18.0
125.02441	28.7
131.03490	3.9
137.02400	2.6
139.00334	6.0
141.02003	2.2
149.04527	4.3
151.00359	14.3
168.00563	3.8
169.01410	40.2
169.38982	1.8
170.01738	3.9
183.02914	2.0
185.34845	1.9
211.02435	6.6
225.14803	2.6
247.13382	23.1
253.03555	2.0
265.14447	15.1
397.22256	7.5
427.19431	13.4
508.10794	2.4
525.19684	100.0
526.20142	8.9
553.16010	2.1
588.12585	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	587.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26212	1.9
55.01874	2.3
57.03441	3.6
59.01381	100.0
61.98830	52.4
63.99298	2.5
69.03432	2.8
71.01008	4.5
71.01383	63.9
71.52735	2.4
72.99304	4.0
73.02948	12.5
74.23745	2.0
83.01395	5.4
85.02945	22.2
87.00869	4.4
89.02443	57.4
93.03454	2.3
94.29458	2.2
95.01396	6.4
96.96028	3.3
97.02953	3.2
99.00893	9.2
101.02444	48.5
107.01412	3.4
113.02445	21.0
119.03501	12.3
121.02950	3.3
123.00923	11.0
123.04530	4.0
125.02434	31.9
131.03508	36.7
137.02438	4.0
139.00406	3.9
140.01184	3.6
143.03522	5.1
147.08008	2.1
149.04549	27.7
151.00378	8.2
153.05573	4.0
158.07693	2.4
159.03058	2.7
161.02475	2.2
161.04553	29.0
161.09721	4.1
168.00542	4.1
169.01410	34.2
177.01872	2.7
179.05611	6.8
181.05057	2.1
182.95537	2.3
191.05600	24.9
197.11861	2.4
207.10298	3.2
223.02440	3.3
230.02107	2.9
231.02921	5.3
233.15407	12.8
258.01715	4.9
262.79440	2.1
277.28030	2.2
293.08817	2.5
395.20737	36.0
396.20871	5.0
425.25494	3.6
435.10596	4.6
524.21545	2.5
525.23621	11.0
527.25018	10.5
559.08636	3.3
587.07971	5.1
587.24457	17.5
588.25519	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	587.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
56.70375	1.3
57.03447	2.3
58.00603	2.1
59.01384	54.7
61.98827	11.7
69.26108	6.5
69.26535	6.6
71.01381	50.2
72.99306	2.6
73.02952	14.3
79.01869	2.0
82.95403	1.7
83.01403	7.8
85.02953	21.5
87.00895	2.3
88.98829	1.7
89.02441	22.5
90.41084	1.4
95.01376	6.4
96.96043	1.7
97.02938	2.6
99.00877	4.9
101.02446	37.5
101.03108	2.6
107.01380	5.5
110.12678	1.5
111.00891	2.6
112.05147	1.4
113.02453	22.2
117.16814	1.3
119.03561	2.4
123.00880	16.2
125.02445	20.6
131.03485	8.9
137.02463	1.9
139.00356	7.1
140.01143	2.7
141.01903	2.0
143.03484	6.4
149.04546	3.3
151.00400	9.7
159.03011	6.0
161.04556	29.7
168.00635	4.5
169.01414	23.3
171.10268	4.9
179.39613	1.6
191.05611	3.9
197.11829	3.2
204.64351	1.5
205.74069	1.6
209.11923	2.5
210.39400	1.6
211.02370	1.5
227.03461	4.0
233.06520	1.7
247.77478	1.3
255.02994	4.9
255.10994	1.4
271.59424	1.7
284.03220	4.5
285.03983	4.3
293.08780	1.9
313.05521	1.6
395.20715	100.0
396.20947	10.8
425.25586	1.5
524.21198	2.1
527.25116	11.9
587.16254	3.4
587.30792	99.6
588.30933	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	587.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94839	1.5
55.01905	2.1
57.03442	2.0
57.48957	1.7
58.00584	3.1
59.01383	100.0
61.98835	81.6
63.99241	7.2
71.01389	53.8
71.05037	1.6
71.52886	3.0
72.99289	5.2
73.02940	6.1
75.35019	1.6
76.28101	1.6
78.95911	2.0
83.01381	4.5
85.02969	10.1
87.00887	4.3
88.28390	2.0
88.98821	1.9
89.02451	63.1
93.03442	2.8
95.01402	2.7
96.96017	13.3
96.96958	2.4
99.00877	4.8
101.02448	36.4
107.01375	7.2
107.18370	1.7
109.02952	3.0
111.00900	2.6
113.02454	17.5
119.03503	16.4
119.05003	3.2
121.02940	4.8
121.05531	1.8
123.00871	8.4
123.04539	4.3
124.01608	2.4
125.02456	44.5
131.03508	34.2
137.02451	6.0
139.00317	4.4
143.03494	4.0
145.02945	4.1
149.04549	33.6
151.00365	5.1
153.01959	3.2
161.04549	7.6
163.03954	2.1
165.01817	2.1
167.03490	5.2
168.00597	6.3
169.01430	41.8
170.01689	1.9
179.05618	11.7
191.05605	30.3
205.87231	4.1
209.11848	2.3
211.02544	3.2
227.03554	5.0
255.02937	6.9
273.07532	2.6
284.03253	5.4
285.03879	3.1
287.27747	1.8
313.05887	4.9
341.06564	4.3
349.07037	1.9
395.20721	28.5
396.21329	1.8
406.09940	2.1
425.25491	7.0
435.10657	4.3
507.11578	2.6
524.22284	10.8
525.20428	3.1
527.24799	9.3
533.37665	1.9
587.11383	14.7
587.27124	5.8
588.11401	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	587.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94839	1.5
55.01905	2.1
57.03442	2.0
57.48957	1.7
58.00584	3.1
59.01383	100.0
61.98835	81.6
63.99241	7.2
71.01389	53.8
71.05037	1.6
71.52886	3.0
72.99289	5.2
73.02940	6.1
75.35019	1.6
76.28101	1.6
78.95911	2.0
83.01381	4.5
85.02969	10.1
87.00887	4.3
88.28390	2.0
88.98821	1.9
89.02451	63.1
93.03442	2.8
95.01402	2.7
96.96017	13.3
96.96958	2.4
99.00877	4.8
101.02448	36.4
107.01375	7.2
107.18370	1.7
109.02952	3.0
111.00900	2.6
113.02454	17.5
119.03503	16.4
119.05003	3.2
121.02940	4.8
121.05531	1.8
123.00871	8.4
123.04539	4.3
124.01608	2.4
125.02456	44.5
131.03508	34.2
137.02451	6.0
139.00317	4.4
143.03494	4.0
145.02945	4.1
149.04549	33.6
151.00365	5.1
153.01959	3.2
161.04549	7.6
163.03954	2.1
165.01817	2.1
167.03490	5.2
168.00597	6.3
169.01430	41.8
170.01689	1.9
179.05618	11.7
191.05605	30.3
205.87231	4.1
209.11848	2.3
211.02544	3.2
227.03554	5.0
255.02937	6.9
273.07532	2.6
284.03253	5.4
285.03879	3.1
287.27747	1.8
313.05887	4.9
341.06564	4.3
349.07037	1.9
395.20721	28.5
396.21329	1.8
406.09940	2.1
425.25491	7.0
435.10657	4.3
507.11578	2.6
524.22284	10.8
525.20428	3.1
527.24799	9.3
533.37665	1.9
587.11383	14.7
587.27124	5.8
588.11401	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	587.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.5
59.01371	4.0
61.98832	96.9
69.37986	0.7
71.01379	7.4
71.51933	1.1
72.99302	1.2
73.02920	1.2
75.43076	0.8
81.03460	7.4
82.12911	0.9
83.01384	5.6
85.02956	1.8
87.00869	2.7
89.02448	1.3
89.53896	1.0
93.03452	4.0
95.01373	1.9
95.05019	0.9
96.96008	7.6
97.02946	2.8
98.95596	6.3
98.96410	1.4
99.04519	1.3
99.92568	1.0
101.02448	2.2
102.36258	0.8
102.48633	0.8
107.01392	10.1
107.04994	0.8
111.00859	1.9
112.47657	0.8
113.02412	1.5
113.73956	0.9
119.05025	8.8
121.02924	1.2
122.03784	0.9
123.00880	8.5
123.04529	21.3
124.01665	1.9
125.02451	100.0
126.02782	1.6
137.02449	2.0
139.00354	4.0
139.03970	0.9
140.01138	1.8
141.01904	1.4
144.17461	0.9
149.02437	3.0
151.00372	8.2
151.03999	2.8
153.01849	1.3
165.05554	0.9
167.03499	51.5
168.00623	4.9
168.03830	1.8
169.01425	83.3
170.01756	2.7
178.73192	0.8
179.03516	4.5
181.01355	1.3
182.02184	3.7
183.02959	3.9
184.03424	0.9
189.05583	2.9
191.03510	1.8
193.08618	0.9
209.11826	3.4
211.02473	9.2
229.08675	1.8
241.03537	2.6
264.94406	1.2
271.04587	6.3
273.07690	29.0
274.08035	2.4
276.47580	0.9
305.06760	1.2
306.07733	1.7
313.05652	55.9
314.06107	2.5
373.29257	1.0
395.82074	0.9
425.25867	4.1
435.12921	7.0
439.08798	63.7
440.09216	6.1
524.22516	1.9
550.95544	3.8
587.14081	86.0
587.23334	4.1
588.14575	10.7
609.79614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38723	0.2
51.59577	0.2
51.66533	0.2
59.01378	0.6
59.34214	0.2
61.98832	100.0
63.99270	0.5
65.01700	0.2
68.12252	0.2
69.59156	1.3
71.01370	0.3
77.63401	0.2
85.02983	0.2
89.02469	0.3
98.20749	0.2
101.02483	0.3
123.00900	0.3
125.02454	0.6
169.01459	0.7
181.86171	0.2
285.04190	0.2
395.21027	0.4
424.24481	0.3
523.21484	0.5
586.25732	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09185	0.2
53.33961	0.2
54.73489	0.2
55.35125	0.2
57.03450	0.3
59.01385	1.2
61.20188	0.2
61.98834	100.0
62.98518	0.2
63.99267	0.2
71.01374	1.1
71.52585	0.5
73.02974	0.2
77.44662	0.2
81.03476	1.0
83.01404	0.5
85.02974	0.3
89.02448	0.4
93.03451	0.5
95.01416	0.5
96.96009	1.4
97.02948	0.2
101.02459	0.6
107.01392	1.8
107.05026	0.4
108.02305	0.2
109.02979	0.5
111.00916	0.4
113.02441	0.3
119.05069	0.9
123.00894	2.3
123.04523	2.1
125.02451	10.4
126.02795	0.4
137.02484	0.6
139.00433	1.0
140.01228	0.5
149.02473	0.3
151.00372	2.0
151.04005	4.3
163.04100	0.4
166.99916	0.2
167.03522	4.4
168.00676	0.7
169.01439	11.6
170.01817	0.8
173.26003	0.2
179.03539	0.4
183.03030	0.5
185.06161	0.6
186.06506	0.3
209.11809	0.3
211.02539	0.8
227.07268	0.4
228.07504	0.3
271.06296	0.7
272.06216	1.2
273.07697	3.2
313.05652	6.4
314.06226	0.5
424.24728	0.3
425.25467	0.5
434.12045	0.9
435.13394	1.3
439.08835	5.0
449.00058	0.2
523.21851	6.3
524.22540	0.8
533.44440	0.2
586.12970	5.0
586.26453	0.9
587.14050	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	587.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
67.01885	0.6
71.01395	2.7
75.00906	0.5
79.01929	0.5
85.02962	0.6
85.09074	0.4
91.01897	1.8
91.71640	0.5
93.03466	2.1
95.16971	0.6
99.44414	0.4
101.02476	1.2
101.32205	0.5
107.01405	4.7
107.05024	4.7
109.02955	2.7
111.00895	0.8
113.02460	1.3
121.02953	0.9
123.00882	4.0
123.04517	0.6
124.01703	1.0
125.02450	31.5
126.02742	0.6
128.73715	0.6
134.03702	0.6
135.00888	6.1
135.04523	8.0
137.02446	54.2
138.02823	1.2
139.00363	1.9
140.01109	1.4
148.01636	0.6
149.02394	0.9
151.00389	4.0
151.04082	0.5
153.01974	1.1
165.01891	0.7
166.85823	0.5
167.03477	1.3
168.00644	1.3
169.01419	56.4
170.01736	1.7
179.03485	1.0
211.02493	2.1
241.03542	1.7
250.53783	0.5
253.03450	0.7
271.04379	0.6
313.05643	41.9
314.06009	1.1
339.08041	0.5
415.82693	0.5
451.08795	100.0
452.09119	8.8
491.78763	0.5
587.13800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
61.98830	100.0
62.98535	0.9
63.99250	4.2
69.03461	0.5
70.52424	0.5
70.52774	0.8
71.01376	1.7
72.99303	0.5
74.02451	0.4
79.01891	0.5
85.02963	0.5
89.02448	1.1
95.01408	0.4
96.96053	0.4
99.00865	0.3
101.02437	1.6
107.01398	2.2
108.02227	0.4
111.00912	0.9
113.02477	0.7
117.52023	0.3
119.03543	0.5
121.02872	0.3
123.00871	4.8
124.01782	0.5
125.02451	12.0
126.02827	0.4
128.03549	1.0
136.98811	0.6
137.02475	0.4
139.00365	1.8
140.01170	1.0
141.01959	0.4
143.04648	0.7
151.00383	3.4
153.05598	0.4
163.17889	0.3
168.00676	1.2
169.01425	14.4
177.02063	0.3
210.08784	0.4
211.02444	2.4
212.02867	0.7
254.07748	0.7
255.02991	0.5
271.04480	3.2
272.05060	0.9
272.08713	0.7
273.07623	0.6
285.04227	0.8
299.05740	0.5
306.96683	0.3
313.05716	1.1
325.03720	0.3
332.06808	0.3
341.06750	0.3
395.20718	0.7
424.24258	0.8
425.08643	2.0
435.11050	0.5
439.08984	0.3
523.21863	34.8
524.22211	3.4
586.12628	0.5
586.30176	2.0
587.13947	1.2
587.27722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.2
61.98830	100.0
62.98535	0.9
63.99250	4.2
69.03461	0.5
70.52424	0.5
70.52774	0.8
71.01376	1.7
72.99303	0.5
74.02451	0.4
79.01891	0.5
85.02963	0.5
89.02448	1.1
95.01408	0.4
96.96053	0.4
99.00865	0.3
101.02437	1.6
107.01398	2.2
108.02227	0.4
111.00912	0.9
113.02477	0.7
117.52023	0.3
119.03543	0.5
121.02872	0.3
123.00871	4.8
124.01782	0.5
125.02451	12.0
126.02827	0.4
128.03549	1.0
136.98811	0.6
137.02475	0.4
139.00365	1.8
140.01170	1.0
141.01959	0.4
143.04648	0.7
151.00383	3.4
153.05598	0.4
163.17889	0.3
168.00676	1.2
169.01425	14.4
177.02063	0.3
210.08784	0.4
211.02444	2.4
212.02867	0.7
254.07748	0.7
255.02991	0.5
271.04480	3.2
272.05060	0.9
272.08713	0.7
273.07623	0.6
285.04227	0.8
299.05740	0.5
306.96683	0.3
313.05716	1.1
325.03720	0.3
332.06808	0.3
341.06750	0.3
395.20718	0.7
424.24258	0.8
425.08643	2.0
435.11050	0.5
439.08984	0.3
523.21863	34.8
524.22211	3.4
586.12628	0.5
586.30176	2.0
587.13947	1.2
587.27722	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19881	3.1
56.40806	2.8
59.01363	6.9
61.98822	16.2
71.01378	6.9
71.51292	5.2
72.83665	3.5
73.75230	3.0
73.96285	2.7
85.02946	4.0
95.01375	4.9
96.96024	5.4
107.01396	13.8
109.02938	11.2
110.03220	3.6
111.00846	3.1
113.02470	4.6
123.00896	15.3
125.02460	56.1
135.04514	4.0
137.02472	28.9
139.00401	7.2
140.01147	6.2
148.01689	15.5
148.38516	3.0
149.02486	4.6
151.00317	8.9
161.02405	4.0
168.00558	6.7
169.01437	87.6
170.01749	8.4
171.95258	3.1
179.03481	7.7
195.06635	4.3
196.74037	3.0
209.08138	4.8
211.02484	5.6
244.06924	5.7
253.03813	3.5
255.06583	5.4
268.86148	3.3
272.06409	4.2
313.05640	30.4
314.05945	11.4
433.13651	3.9
434.13654	17.3
451.08640	4.5
523.14557	100.0
524.14716	10.6
553.01105	3.8
569.13013	36.4
586.13763	11.3
586.22467	8.2
587.13995	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	586.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
57.03442	0.3
59.01374	1.6
61.98830	6.6
67.01871	0.4
69.03452	0.3
69.62507	1.2
71.01383	2.2
73.02928	0.7
79.01871	0.6
83.01369	0.7
85.02943	0.7
88.98698	0.3
89.02408	0.6
95.01398	1.4
97.02935	0.4
99.00874	0.4
101.02438	1.4
103.04578	0.2
107.01377	2.3
107.16786	0.3
110.00091	0.3
111.00884	1.7
113.02436	1.0
123.00880	10.8
124.01618	0.8
125.02442	12.9
126.02759	0.5
127.00333	0.6
128.03671	0.2
136.98793	1.0
139.00360	3.1
140.01192	2.2
141.01898	1.0
151.00362	8.8
152.00725	0.3
153.01956	0.6
163.04044	0.3
165.09073	0.3
166.99855	0.3
168.00623	2.2
169.01416	17.1
170.01747	0.5
179.03491	0.3
181.04962	0.3
188.04102	0.3
202.10059	0.3
209.08142	0.9
209.15456	0.5
210.71385	0.2
211.02419	1.0
267.08392	0.3
271.04565	0.8
313.05643	1.6
314.05994	0.5
335.70691	0.3
435.12949	0.4
439.86160	0.3
440.08899	0.4
523.21783	100.0
524.22125	11.2
586.12915	0.7
586.25928	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	585.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57769	0.5
55.64542	0.6
59.01378	8.8
61.98826	15.8
63.14296	0.6
65.46770	0.5
67.01875	0.9
67.87712	0.5
71.00555	0.7
71.00991	1.0
71.01386	6.9
72.99284	0.7
73.02938	2.0
79.01892	0.9
83.01382	1.1
83.05024	0.7
85.02946	2.2
86.03242	0.5
89.02443	3.4
95.01382	1.3
95.93599	0.5
97.02938	1.0
99.18204	0.6
100.20564	0.7
101.02433	3.3
107.01411	3.9
109.06544	0.8
111.00864	2.2
111.08133	1.3
113.02441	2.2
123.00880	11.5
124.01659	1.1
125.02448	16.7
127.11281	1.4
136.98785	1.3
138.64854	0.6
139.00362	4.3
140.01134	2.2
141.01921	1.2
151.00354	5.6
155.10785	1.3
163.11368	0.7
168.00615	2.2
169.01405	17.1
170.01761	0.7
183.17499	1.5
211.02440	0.8
226.26598	0.6
227.16505	34.9
228.16684	1.4
253.18048	2.6
274.18066	0.5
281.17032	0.9
342.64362	0.6
406.19424	0.6
415.23108	1.6
423.23651	2.2
433.24384	22.9
434.24805	2.0
455.59396	0.6
567.23932	2.8
585.25427	100.0
586.25824	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	585.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	33.3
61.98833	6.3
62.86041	0.7
66.34039	0.7
69.03450	1.1
69.23595	4.2
69.24019	2.8
71.01385	22.7
72.99295	1.9
73.02939	2.6
79.01941	0.7
81.03459	1.3
83.01377	1.7
85.02954	2.9
87.00868	1.1
89.02453	30.2
89.65595	0.8
95.01369	0.9
97.02966	2.0
99.00852	1.3
101.02443	8.8
112.65520	0.8
113.02461	4.3
117.07115	0.7
119.03481	1.1
123.00880	1.7
125.02448	13.2
131.03497	11.0
149.04550	9.4
151.00363	1.4
169.01428	3.2
171.10188	0.8
191.05626	3.2
201.11302	1.8
211.53983	0.7
231.13905	100.0
232.14204	3.7
233.06689	1.1
242.08342	0.7
293.08786	9.1
525.23560	1.2
585.29321	9.7
593.18597	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
57.03431	1.1
58.00585	0.6
59.01379	7.0
59.07425	0.4
61.98833	15.5
65.00312	1.6
67.01869	1.3
69.03455	1.0
69.35502	3.2
71.01375	5.9
72.99306	1.2
73.02938	1.4
75.00901	0.4
78.91892	0.7
79.01891	0.9
81.03439	1.0
83.01378	1.6
85.02953	2.1
88.98826	1.0
89.02438	2.6
93.03452	1.0
95.01368	2.4
96.95995	3.2
97.02940	1.4
97.99215	0.5
100.00479	0.4
101.02442	2.7
103.03992	1.0
107.01389	7.8
108.02164	1.8
109.02940	1.5
110.00098	0.8
111.00866	3.9
113.02469	1.6
117.51748	0.5
119.03571	0.5
119.05014	3.0
121.02941	1.1
123.00890	15.2
124.01629	2.0
125.02452	40.7
126.02753	2.1
127.00384	1.4
135.04478	0.8
136.98808	1.9
137.02452	2.3
139.00371	6.5
139.04022	0.7
140.01158	5.3
141.01932	1.7
149.02486	0.9
149.99612	0.6
151.00369	15.3
151.04016	0.8
152.01051	0.5
153.01950	1.4
153.05528	0.6
154.99867	0.5
165.01939	1.3
167.03470	0.7
168.00645	10.2
169.01427	45.9
170.01825	2.3
177.01811	0.6
177.04001	0.6
179.03395	0.5
181.04976	0.6
183.03035	0.6
183.10379	0.6
191.07211	0.6
209.08141	1.3
211.02469	12.7
212.02861	1.7
227.03448	1.1
241.03516	0.6
242.87460	0.5
255.02872	1.2
271.04272	9.2
272.04855	3.2
273.05106	0.7
285.04135	0.7
300.99802	0.7
313.05640	10.6
331.06668	0.8
332.06699	0.6
423.24002	4.5
433.07956	0.7
433.20743	1.6
439.08746	7.2
440.08865	0.7
452.57471	0.5
465.06586	0.8
499.18289	0.6
522.20660	5.2
523.14655	0.5
523.21930	2.3
541.19183	0.9
585.13239	13.4
585.25519	100.0
586.12769	2.2
586.25787	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	585.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12756	1.0
59.01381	9.4
61.98824	11.6
67.01887	1.8
71.01381	6.4
79.01875	2.4
81.03484	1.6
83.01344	1.5
83.05015	8.0
85.02937	1.4
89.02434	1.3
91.12938	1.3
95.01373	4.3
97.02960	1.1
99.00871	1.5
101.02434	2.6
107.01392	9.6
109.02939	2.0
111.00858	1.8
113.02426	3.0
113.09679	2.3
115.40086	1.1
116.92843	2.0
123.00887	27.8
124.05379	1.3
125.02448	39.1
125.06071	2.1
126.02768	1.2
136.98824	1.4
139.00371	8.5
140.01140	3.2
141.01939	2.8
143.10799	1.3
151.00369	18.6
153.01907	1.7
163.03918	1.0
168.00629	6.7
169.01422	66.8
170.01732	2.3
181.01353	1.1
183.02908	1.4
193.01392	1.4
197.65627	1.2
209.11963	1.2
209.15459	18.9
210.15851	1.2
211.02470	10.5
223.16879	2.5
227.16473	11.3
246.57077	1.1
251.16515	2.8
269.17438	2.5
313.05573	3.1
541.22906	100.0
542.23370	9.9
574.49316	1.3
585.25360	55.1
586.25903	8.1
608.32983	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1251
Annotation	Prunin 6''-O-gallate
Peak:m/z	Relative Intensity
56.23662	0.6
59.01372	3.2
61.98832	100.0
65.27242	0.7
65.66458	0.6
69.28124	2.3
69.28545	3.4
71.01380	3.0
72.93733	0.6
79.37189	0.6
83.01398	2.0
85.02943	1.1
95.01406	1.4
96.96018	8.6
97.02956	0.8
101.02450	2.4
107.01382	9.4
108.02141	0.9
111.00874	1.3
113.02471	1.7
115.98611	0.8
119.05016	1.9
123.00902	7.5
124.01678	0.9
125.02451	35.1
126.02769	0.7
135.04575	1.2
137.02437	0.8
139.00362	3.2
140.01146	2.2
143.05026	3.8
145.02965	1.9
146.03741	0.6
151.00381	9.4
157.06584	2.8
161.04807	0.7
161.06081	2.8
165.01964	0.6
168.00621	2.6
169.01428	45.6
170.01761	1.3
183.02998	1.8
185.06067	10.8
185.74556	0.6
187.03960	3.4
193.01308	0.8
194.99294	0.7
199.07599	1.5
203.07130	2.7
211.02441	2.3
227.07115	11.4
228.07402	0.8
229.05040	1.3
241.03731	0.8
253.05281	1.1
271.06137	37.3
272.03534	0.8
272.06323	1.6
313.05658	23.9
314.06021	1.0
335.03928	1.0
340.03433	0.8
394.10516	0.7
423.23846	3.0
433.11362	27.2
434.11591	1.9
435.99799	0.6
459.09216	2.0
478.16000	0.7
499.12186	1.3
501.10471	2.4
517.13324	1.4
523.22052	6.6
541.13354	4.5
569.80511	0.8
585.12469	86.7
585.25659	3.4
586.12830	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	585.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
59.01373	2.8
61.98830	100.0
62.98526	0.7
63.02399	0.5
63.99260	2.4
65.00327	1.8
69.03435	0.4
69.08353	0.4
69.18627	0.4
71.01377	2.2
71.52524	0.7
73.02980	0.5
73.64202	0.4
79.99065	0.4
82.96468	0.4
83.01389	2.1
85.02943	0.8
89.02450	1.1
91.28694	0.4
93.03458	4.5
95.01399	0.6
97.02954	0.6
101.02469	1.2
107.01402	3.6
107.05091	0.4
108.02210	0.6
109.02974	2.0
111.00870	0.8
113.02484	0.7
121.02976	1.6
123.00886	1.6
123.04535	1.9
124.01669	0.9
125.02445	42.0
126.02776	1.4
130.63354	0.4
135.00912	0.5
137.02435	5.6
139.00371	0.8
139.04012	1.1
149.02444	6.3
150.03198	1.2
151.00369	10.5
151.04034	1.4
152.01138	1.9
153.01941	11.8
154.02324	0.6
161.02405	0.8
161.06133	0.4
163.00366	0.7
165.01962	0.7
167.03519	1.4
168.00670	0.7
169.01443	4.6
172.05339	0.5
174.03188	0.8
175.00394	1.6
175.03996	6.5
176.01225	0.4
177.01927	8.6
178.99852	8.9
179.03426	0.5
181.01476	1.7
188.04852	0.6
189.05605	1.5
191.03426	1.0
193.01291	0.5
195.02966	0.7
199.04036	2.9
201.01982	0.9
205.01480	0.5
211.02461	0.6
215.03517	0.5
217.05009	2.0
227.03616	0.7
241.05093	2.8
255.02869	1.0
257.04483	0.8
259.06128	2.1
271.06146	0.5
275.05585	5.9
275.08170	0.7
284.03214	0.8
285.04037	30.5
286.04373	2.0
291.61700	0.5
299.05566	2.0
303.05078	36.6
304.05530	1.9
309.03998	0.7
313.05716	1.2
327.05154	0.8
341.06699	0.7
363.21808	0.7
385.12958	0.8
423.23999	1.9
435.09360	1.2
461.07159	1.0
522.20471	0.5
549.29828	0.8
557.13306	0.5
567.11505	0.8
585.12854	1.6
585.25195	2.6
596.66437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85905	0.3
53.10290	0.2
59.01383	1.5
61.98830	100.0
62.98538	0.3
63.99264	0.6
69.65989	0.6
69.66397	1.1
71.01398	0.9
73.02956	0.6
75.00146	0.2
89.02450	0.5
96.00203	0.2
96.96023	0.8
98.20572	0.6
99.00894	0.3
101.02452	0.4
107.01385	0.5
109.02918	0.3
113.02467	0.4
116.92960	0.3
121.02983	0.3
122.03744	0.3
123.00874	0.9
123.04549	0.4
125.02448	3.5
126.02751	0.5
135.94234	0.2
137.09850	0.3
139.00404	0.6
140.01181	0.4
150.03238	0.3
151.00377	0.8
153.05615	0.4
165.05559	0.4
168.00667	0.5
169.01456	3.7
170.01784	0.4
178.27827	0.3
195.06743	0.3
209.04601	0.5
209.11899	0.2
211.02522	1.0
213.15027	0.3
259.02454	0.3
271.04681	0.9
283.49719	0.3
313.05746	0.3
359.15308	0.3
422.22577	0.4
423.23779	0.6
433.20688	0.3
521.20532	1.1
584.24518	2.6
585.12634	0.7
585.25275	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	585.1245
Annotation	Prunin 6''-O-gallate
Peak:m/z	Relative Intensity
54.31034	0.7
59.01379	4.5
61.98829	21.9
65.03944	2.7
67.01868	1.7
71.01384	6.9
71.50994	0.7
73.02944	1.3
75.00800	0.9
76.40044	0.6
79.01891	1.8
85.02927	1.6
87.00866	0.8
89.02415	2.6
91.01875	3.2
93.03428	2.8
95.01379	2.5
95.26524	0.8
96.95979	2.6
97.02914	1.1
99.00872	1.9
101.02415	2.2
107.01392	9.5
108.02148	2.9
109.02953	45.5
111.00857	1.8
113.02416	2.0
121.02930	2.0
123.00880	12.0
123.04471	2.8
124.01653	1.8
125.02450	51.1
126.02759	1.3
133.02919	2.6
135.00891	7.7
136.01598	1.6
137.02432	6.5
139.00378	3.8
140.01131	2.3
141.01965	0.7
149.02422	2.3
150.99350	0.9
151.00369	8.1
153.01907	1.7
163.00356	6.2
165.01949	1.6
166.99715	1.0
168.00645	4.3
169.01425	71.3
170.01729	2.4
193.01309	0.8
199.07671	1.3
208.51987	0.7
209.08087	1.8
211.02505	4.8
223.02409	0.9
225.05562	1.9
226.05994	0.8
227.07130	5.3
241.03534	2.6
243.06613	62.2
244.06979	2.9
253.05077	0.9
271.06195	29.9
272.06384	2.0
285.07895	0.8
301.45770	0.7
313.05640	100.0
314.06122	4.5
322.35815	0.7
386.81842	0.7
423.07382	1.0
423.23914	1.7
450.07901	2.4
451.08914	2.8
479.08380	2.4
523.14429	2.0
541.13623	2.2
557.13037	19.0
558.13776	1.8
567.11560	1.2
573.92328	0.8
585.12610	56.4
585.22345	8.6
586.12787	6.8
586.21399	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
61.98830	100.0
63.96092	0.1
65.00350	0.1
69.23199	0.5
69.23624	0.6
71.01392	0.2
77.06467	0.1
83.01401	0.1
87.00819	0.1
89.02448	0.1
97.91565	0.1
107.01409	0.2
111.00899	0.2
123.00902	0.5
124.01693	0.2
125.02456	1.8
137.02451	0.1
138.03357	0.2
139.00365	0.3
140.01189	0.4
150.11916	0.1
151.00345	0.3
153.01907	0.1
153.05565	0.3
168.00658	0.6
169.01413	2.9
170.01746	0.1
191.53070	0.1
202.40898	0.1
211.02483	2.5
212.02832	0.1
249.85561	0.1
271.04507	3.3
271.07047	0.2
272.05109	0.2
285.04230	0.2
331.06595	0.7
376.93860	0.1
423.24271	0.2
521.20270	5.4
522.20850	0.5
584.13977	0.1
584.24237	0.4
585.12708	0.3
585.28467	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
61.98830	100.0
62.98560	0.2
63.99257	0.3
69.98591	0.6
87.29796	0.2
112.16717	0.2
125.02469	0.4
127.33184	0.2
151.00381	0.2
169.01389	0.5
180.50204	0.2
271.04367	0.2
584.23926	0.5
585.25391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31382	0.9
53.32819	0.7
54.03871	0.8
54.31820	0.8
54.35372	0.9
54.35663	0.8
59.01378	5.1
59.18297	0.9
61.98830	100.0
65.00301	1.2
68.18025	0.8
69.31988	1.7
69.32390	6.3
71.01375	3.5
73.02969	0.9
73.13756	0.9
77.96687	0.9
89.02450	1.7
93.03451	1.3
95.01372	1.7
95.67796	0.9
96.96019	1.1
101.02442	1.6
107.01380	5.0
109.02981	1.0
111.00896	2.2
113.02460	1.4
114.31341	0.9
119.05011	3.2
121.03033	0.9
123.00894	8.3
124.01585	1.3
125.02448	23.0
133.78746	0.9
136.98764	1.2
137.02414	1.3
139.00378	4.5
140.01118	3.3
149.02441	1.1
150.03197	1.5
151.00381	10.1
151.03673	1.4
153.05537	1.3
165.05560	2.7
166.05931	1.1
168.00620	8.3
169.01422	35.4
196.06982	1.3
211.00421	2.0
211.02461	35.3
212.02855	1.6
271.04391	43.4
272.04941	1.9
285.03934	4.4
286.04398	3.9
297.06262	0.9
313.05640	2.6
331.06674	4.3
331.28152	1.1
333.24835	0.9
423.07129	2.6
433.10928	1.9
439.08844	3.5
511.77451	1.0
521.20288	89.0
522.20459	6.0
584.24365	5.6
585.13074	4.6
585.24908	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	584.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98834	100.0
66.25465	0.2
69.17973	1.8
71.01385	0.4
72.23365	0.2
76.67666	0.2
77.91887	0.2
83.01423	0.2
95.01431	0.2
96.96016	0.3
107.01411	0.7
113.02455	0.2
123.00909	0.8
124.01652	0.2
125.02460	3.5
136.42780	0.2
137.46716	0.2
138.90175	0.2
139.00412	0.2
140.01146	0.2
143.05090	0.5
143.57855	0.2
151.00421	1.0
161.06099	0.4
168.00645	0.4
169.01434	5.0
169.02846	0.3
183.03064	0.2
185.06088	0.8
187.04094	0.3
211.02513	0.8
217.68378	0.2
220.93994	0.2
227.07103	1.1
252.86385	0.2
271.06393	3.2
313.05658	1.8
433.11383	2.3
501.88715	0.2
521.20215	2.2
522.21167	0.4
541.13660	0.4
584.23669	0.3
585.12537	7.6
585.26221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74822	0.8
55.45497	0.9
59.01377	5.8
61.98829	35.4
62.20311	1.0
69.19060	3.9
69.19484	5.7
71.01374	2.8
80.91708	0.9
83.01358	0.9
85.02979	1.5
89.02454	1.2
95.01426	1.9
107.01373	3.4
111.00916	1.8
113.02451	1.3
114.18308	1.0
123.00886	6.0
124.01669	2.1
125.02446	20.8
136.98758	1.3
139.00366	3.2
140.01163	3.2
150.03221	3.2
151.00362	2.5
165.05551	3.6
167.03400	1.4
168.00644	8.6
169.01422	40.0
170.01732	1.2
183.03036	1.5
195.06648	1.8
204.91914	1.1
211.02477	59.3
212.02872	2.0
219.01476	0.9
241.03505	1.6
271.04581	73.8
272.04950	2.8
331.06732	6.9
517.50659	1.1
521.20258	100.0
522.20636	10.0
584.24890	1.3
585.25592	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01146	0.8
59.01390	3.1
61.98829	41.1
67.68535	0.7
69.41753	5.3
70.41074	0.7
71.01382	2.2
72.12072	0.8
83.01400	1.0
86.33045	0.7
89.02460	1.5
96.46768	0.9
98.19951	1.8
107.01357	2.4
111.00875	1.0
123.00874	2.9
124.01687	1.5
125.02443	15.8
127.00414	0.8
128.03201	0.9
136.98732	0.8
137.02477	1.6
139.00371	1.5
140.01163	1.5
151.00351	3.1
163.00331	0.9
167.03490	1.1
168.00636	10.0
169.01422	27.7
211.02467	50.9
212.02776	0.9
241.03668	1.6
256.03265	1.1
271.04596	100.0
272.02524	1.5
272.04987	3.4
300.02744	3.5
301.03107	5.9
302.03656	2.2
331.06693	49.4
332.07126	2.8
438.84598	0.8
446.08096	1.2
464.09082	2.3
521.20471	8.1
522.20599	1.0
584.11194	4.6
584.23724	0.9
585.10876	0.8
597.13519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.0
61.01300	0.9
61.98826	14.3
65.00336	0.9
67.01888	1.1
69.38163	8.3
71.01381	3.5
72.99315	2.1
83.01379	1.2
88.31559	1.1
92.68913	0.9
95.01367	1.5
97.02959	1.1
101.02428	1.7
107.01389	4.8
108.02189	1.7
109.02962	1.4
111.00912	2.4
121.02905	1.0
123.00831	6.7
124.01685	2.9
125.02451	34.2
126.02693	1.1
136.98833	1.1
137.09702	1.2
138.69479	1.0
139.00340	3.7
140.01190	2.6
142.51581	1.2
150.03220	2.0
151.00357	4.6
152.01091	1.1
153.01924	1.7
165.01878	1.2
167.03549	1.1
168.00644	15.4
169.01421	47.1
170.01759	1.8
175.80991	1.1
195.06560	1.1
211.02480	63.4
212.02902	2.2
213.79556	0.9
227.07196	1.5
241.03481	3.4
255.02852	1.1
269.04568	1.4
270.04935	1.3
271.04578	100.0
272.04886	4.1
284.03265	1.5
285.03735	1.5
301.03278	1.9
313.05560	2.9
331.06717	30.9
332.06860	1.4
339.80765	1.0
521.20258	57.2
522.20532	5.2
541.13403	2.8
583.23352	1.5
584.11133	7.5
584.23993	12.3
585.12433	4.9
585.25696	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	583.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.2
61.98837	13.0
69.14242	13.6
71.01394	6.7
73.02909	1.3
83.01404	1.6
85.02958	4.3
89.02446	7.3
94.71981	1.2
95.01381	1.8
97.02989	1.4
98.19860	2.6
101.02457	5.3
107.01382	1.5
113.02443	7.8
119.03507	3.0
123.00889	3.1
124.01642	1.5
125.02429	6.0
135.11792	10.4
137.02470	2.2
139.00331	2.4
146.07504	1.5
151.00412	2.4
159.08118	2.6
159.11755	1.7
161.04572	2.5
161.09705	13.9
168.00690	3.1
169.01396	10.8
179.05614	2.1
179.10774	58.2
180.11121	3.7
203.10732	6.3
211.02583	1.9
221.11877	2.0
223.09752	100.0
224.10120	5.6
224.12506	1.1
251.12912	1.8
265.10846	3.0
271.04608	2.2
325.12930	3.9
385.15015	69.8
386.15411	4.6
445.10004	3.3
461.60095	1.4
576.55164	1.2
583.25281	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	583.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87804	0.6
55.24318	0.7
59.01394	4.4
60.18989	0.5
61.98818	0.7
67.01890	0.8
69.43703	0.6
71.01382	5.4
72.99302	1.2
79.01912	0.7
83.01385	1.8
85.02932	2.3
89.02452	1.7
95.01396	2.1
96.96029	0.9
97.02945	0.6
101.02464	3.0
104.20109	0.6
104.65845	0.7
107.01392	4.4
108.02186	1.4
111.00903	3.7
113.02444	1.2
123.00888	9.4
124.01685	1.4
125.02450	19.0
127.00356	1.4
136.98804	2.8
137.02425	1.0
139.00409	6.6
140.01158	6.3
151.00372	8.1
167.03438	0.8
168.00652	12.2
169.01439	31.9
177.04025	2.1
181.01329	0.7
181.87595	0.6
211.02483	19.6
212.02762	0.9
241.03679	1.0
267.05215	0.7
271.04605	13.3
271.94269	0.7
272.04822	1.2
300.99670	0.7
313.05630	1.1
331.06598	1.3
399.13150	1.1
421.22458	0.8
451.29248	2.3
583.23981	100.0
584.24359	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	584.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93378	0.1
57.03468	0.1
59.01377	0.5
61.98831	100.0
62.98531	0.3
63.99263	0.7
71.01395	0.3
71.52585	0.2
73.02961	0.1
83.01405	0.1
85.02983	0.2
89.02452	0.3
93.03471	0.4
107.01379	0.2
109.02956	0.1
113.62225	0.1
114.95347	0.1
121.02956	1.0
122.03342	0.3
122.32811	0.1
123.00942	0.3
123.03680	0.2
123.04520	0.2
125.02452	1.3
137.02519	0.3
148.21622	0.1
149.02402	0.1
150.03281	0.2
151.00359	0.3
153.05562	0.7
158.91393	0.1
165.05632	0.3
167.03558	0.2
168.00575	0.1
168.21637	0.1
169.01407	0.9
177.01904	0.2
211.02538	0.2
227.07358	0.1
233.10973	0.1
271.04663	0.3
275.05865	0.1
285.04141	0.5
303.05307	0.4
315.11127	0.1
440.08560	0.1
521.20575	0.8
584.24860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53004	0.2
59.01383	0.4
61.98830	100.0
62.99242	0.2
69.29622	1.7
71.01381	0.4
101.02477	0.3
113.02469	0.3
117.65310	0.2
125.02450	0.5
125.45068	0.2
141.47644	0.2
169.01431	0.7
253.43698	0.2
271.04596	0.2
290.05273	0.2
495.58231	0.2
522.33905	0.5
523.35126	0.7
530.09442	0.2
579.59894	0.2
582.23206	0.4
583.23376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
59.17251	0.2
61.98830	100.0
68.16792	0.2
69.29359	0.9
69.29774	0.6
72.61681	0.2
75.05196	0.2
83.37855	0.2
90.28541	0.2
99.37538	0.2
117.09592	0.2
123.00858	0.3
125.02465	0.9
126.02781	0.2
154.53697	0.2
169.01422	1.0
170.01842	0.3
170.64105	0.2
193.23744	0.2
201.87819	0.3
211.02533	0.3
225.11699	0.2
271.04761	0.2
374.34372	0.2
385.94571	0.2
430.18192	0.3
444.58371	0.2
519.18524	0.3
522.33929	0.5
582.19489	0.3
583.22522	0.3
593.59174	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
61.98827	1.2
63.02386	1.2
65.00319	1.7
69.31101	4.1
71.01385	2.8
83.01412	1.4
85.02943	0.6
91.01884	0.9
93.03462	1.2
101.02436	1.0
102.68490	0.6
107.01397	4.2
107.70519	0.5
108.02188	1.4
109.02953	19.5
110.03308	0.7
111.00921	0.8
121.02963	0.9
123.00848	1.4
124.01634	0.8
125.02428	5.8
135.00879	1.0
137.02431	1.2
139.00342	1.0
140.59280	0.5
151.00372	9.2
152.01134	0.7
153.01936	25.2
159.04477	1.0
163.00336	2.5
164.01163	1.0
168.00607	0.7
169.01427	7.9
178.99966	2.9
183.04578	0.7
185.05946	0.7
187.03960	1.3
190.99904	0.7
195.02969	1.0
199.04027	0.8
199.95389	0.6
211.02376	2.1
211.04094	1.2
227.03497	13.4
229.05003	3.4
239.03455	0.9
243.03008	5.0
255.02977	34.2
256.03613	4.0
257.04541	2.5
269.04584	6.3
271.02368	21.5
271.04568	2.2
272.02887	2.8
283.02512	0.8
284.03262	30.7
285.04022	22.6
286.04391	1.4
297.06213	6.7
300.02740	42.3
301.03491	18.0
302.03976	0.8
313.05658	2.6
317.96909	0.5
331.06659	1.0
361.57608	0.6
447.09329	1.8
463.08847	8.8
521.20178	2.1
583.10919	100.0
583.23895	3.4
584.11279	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	583.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.0
61.98825	1.2
63.02378	0.6
64.09620	0.4
65.00323	1.1
67.01917	0.5
70.14194	1.1
70.14549	0.7
71.01376	3.7
72.99319	0.6
75.00874	0.5
78.91895	0.4
83.01394	1.5
85.02950	1.3
88.41859	0.4
91.01887	0.8
92.03236	0.5
93.03424	0.4
95.01357	0.8
96.99352	0.4
97.02905	0.4
97.10135	0.4
97.48974	0.4
98.20000	0.5
100.17551	0.5
101.02469	2.2
107.01372	2.7
108.02168	1.5
109.02950	36.7
110.03298	0.4
111.00890	0.8
113.02457	2.1
123.00896	1.2
123.04522	0.7
125.02443	2.3
135.00883	1.0
135.04536	0.4
137.02461	0.9
139.00359	0.5
149.02460	0.4
151.00356	4.9
152.01138	1.8
153.01938	44.4
154.02287	1.3
159.04427	0.6
163.00331	0.9
163.04036	0.7
165.01981	0.5
167.03456	0.5
167.04948	0.4
168.00661	0.7
169.01451	3.1
169.06667	0.5
177.73859	0.5
185.06079	0.9
187.04118	0.5
195.03004	2.7
207.03027	0.8
211.02316	0.9
211.04053	1.4
212.04866	0.6
213.05531	1.1
225.04063	1.8
227.03500	19.7
228.03915	0.9
229.05066	3.4
239.03651	0.5
240.04251	0.5
241.05099	0.7
250.62833	0.4
255.02977	37.8
256.03632	5.0
257.04544	3.0
269.04523	0.5
271.04605	1.6
283.02563	0.5
284.03250	44.7
285.03986	27.5
286.04471	1.1
297.06198	6.7
327.05338	0.4
357.48465	0.4
376.58096	0.4
421.22305	0.6
429.07767	0.5
447.09256	2.7
448.09668	0.6
583.10925	100.0
583.23853	4.1
584.11298	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	584.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96757	0.9
57.03447	1.2
59.01380	8.5
61.13064	0.8
61.98828	62.7
63.54250	0.9
66.71208	0.9
67.01889	0.9
69.32481	7.8
71.01389	6.2
72.99343	1.0
73.02940	1.3
79.01895	1.1
80.55320	1.0
81.27445	0.9
83.01388	2.4
83.02314	0.9
85.02945	2.1
88.98826	1.1
89.02441	2.6
95.01385	3.4
96.96007	2.6
97.02934	0.9
98.20662	2.2
101.02457	3.7
102.42277	0.8
107.01396	8.7
108.02175	1.5
109.02949	2.3
111.00878	4.2
113.02399	1.8
113.44101	0.9
117.03500	1.3
119.05013	3.0
123.00876	14.5
124.01673	3.6
125.02450	55.4
126.02748	1.4
127.00352	1.3
136.98790	2.6
137.02367	1.3
139.00356	7.5
140.01180	5.7
141.01894	1.9
145.02954	1.0
151.00359	12.7
153.01923	1.3
153.05580	1.1
165.01950	2.4
167.03522	2.8
168.00644	19.3
169.01418	69.9
170.01727	2.7
202.95200	0.9
211.02469	72.7
212.02814	3.6
224.14696	0.9
227.03261	1.0
237.31487	0.9
241.03537	3.2
255.02954	2.0
256.92358	0.9
269.04654	1.3
271.04550	100.0
272.05011	5.7
272.09082	1.0
285.03958	2.5
313.05640	10.1
331.06723	13.8
439.08881	7.0
521.20251	76.3
522.20612	8.8
524.34149	1.0
583.23743	1.8
584.11981	2.6
584.23987	24.4
585.12384	15.1
585.25458	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36526	0.8
57.03436	1.0
59.01105	1.1
59.01377	14.0
61.98830	100.0
69.03456	1.0
69.32024	6.8
71.01078	0.7
71.01385	9.8
72.99314	1.2
73.02925	2.9
83.01363	1.9
85.02941	3.1
86.90381	0.8
87.00875	1.4
89.02454	5.0
99.00858	1.9
101.02428	6.0
107.01389	1.1
108.02119	1.2
109.02972	0.9
113.02438	2.7
121.02928	2.9
125.02448	5.6
139.00339	1.0
151.00340	1.2
168.00647	1.3
169.01433	6.3
249.54929	0.9
269.21301	0.9
287.22250	12.6
288.22626	1.3
359.28006	3.0
385.80789	0.9
449.27530	8.4
495.88696	0.8
521.33264	19.7
522.33557	2.6
581.22430	8.3
581.31665	42.1
582.23682	0.8
582.31921	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	582.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
61.98831	100.0
62.42950	0.2
63.34130	0.2
67.44735	0.2
69.64068	0.8
69.64491	0.3
71.01386	0.3
74.77374	0.2
89.02443	0.5
96.96049	0.2
98.74139	0.2
101.02438	0.3
107.01382	0.2
108.02179	0.3
109.03021	0.2
113.02467	0.3
119.49362	0.2
123.00921	0.3
125.02468	0.7
133.04990	0.2
139.00357	0.2
151.00362	0.2
152.01126	0.3
153.01947	0.2
169.01404	1.4
211.02570	0.3
253.91083	0.2
270.05038	0.2
271.04794	0.7
279.11078	0.3
298.33276	0.2
313.05664	0.2
431.12054	1.7
496.81387	0.2
522.25647	0.2
539.14941	0.2
582.14966	0.3
582.23492	0.3
583.13434	0.8
583.24268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
59.81616	0.2
60.44090	0.2
61.98831	100.0
69.22675	2.3
71.01397	0.3
76.84558	0.2
80.39405	0.3
81.25310	0.2
88.98837	0.5
89.02480	0.4
91.92118	0.3
101.02473	0.3
113.02536	0.3
121.02904	0.2
123.00889	0.4
125.02474	1.1
135.04555	2.0
151.00348	0.3
169.01495	0.9
169.51965	0.2
183.03020	0.3
193.05127	0.3
209.36243	0.3
225.11307	0.5
235.06229	0.4
295.08386	0.3
302.21799	0.3
340.59021	0.3
387.56842	0.3
430.10443	0.5
582.23041	0.7
582.31677	0.7
583.24518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25070	0.1
61.98829	100.0
69.20979	0.7
69.21401	0.5
71.14737	0.1
78.95890	0.4
79.75300	0.1
96.96051	0.2
98.19843	0.3
98.67635	0.1
152.99594	0.3
171.42336	0.1
279.23285	2.5
280.23621	0.8
281.23999	0.6
282.24277	0.2
504.30960	0.6
505.31671	0.1
506.31650	0.2
507.32208	0.3
539.33038	0.2
581.28619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67195	0.2
59.01383	0.2
61.98829	100.0
69.08578	0.2
69.21715	1.5
78.95917	0.9
82.96111	0.2
104.75507	0.1
152.99608	0.3
279.23236	1.9
280.23688	0.7
281.24048	0.4
282.24295	0.3
317.84702	0.2
504.31006	0.9
505.31659	0.2
507.31958	0.6
581.26904	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.9
57.03436	3.6
58.00568	2.0
59.01113	3.8
59.01379	51.1
61.98833	50.7
69.20994	4.8
69.21398	16.3
71.01377	33.6
72.99285	3.4
73.02936	8.3
83.01416	3.5
84.26733	1.9
85.02941	11.3
87.00868	1.8
88.98798	3.1
89.02431	20.4
89.40369	2.2
94.53223	2.0
95.01379	4.0
96.96009	5.5
97.02982	2.3
98.20703	4.6
99.00862	3.0
101.02446	18.4
105.01987	2.0
107.01376	5.9
109.02979	2.3
111.00906	4.5
113.02460	7.3
116.14444	2.1
119.03502	8.7
123.00893	12.6
123.04494	2.0
125.02449	34.5
137.02399	6.3
137.06049	2.3
139.00340	3.4
140.01086	3.8
141.01831	1.9
151.00348	7.0
153.01825	2.5
158.09140	2.0
161.04529	2.8
167.03313	2.9
168.00616	7.8
169.01418	44.3
170.01740	2.3
170.10909	2.0
172.69514	2.1
177.76280	2.1
202.47079	2.5
211.02472	8.7
271.04602	8.8
313.05563	4.2
359.27896	9.2
404.71826	2.4
429.17429	3.7
472.12546	2.2
521.33258	100.0
522.33630	11.0
537.22882	3.7
563.21051	2.2
581.09662	2.8
581.22455	55.3
581.35596	5.0
582.22119	7.6
587.14923	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95145	3.7
59.01388	45.6
59.85397	3.5
61.82140	3.2
61.98833	84.8
65.98005	3.4
69.54858	7.8
69.55272	23.1
70.00345	3.3
71.01390	26.9
73.02944	9.2
75.90791	4.1
83.01411	4.2
85.02943	15.0
88.06459	4.1
89.02452	12.5
91.54917	3.9
95.01373	4.3
96.96013	11.6
101.02444	21.8
107.01382	6.7
107.83616	3.7
108.02169	14.4
109.02991	19.7
111.00850	7.1
113.02462	13.0
119.03474	6.1
121.03059	3.9
123.00890	12.6
124.01535	3.7
125.02463	41.7
135.00896	8.6
137.02426	4.6
139.00378	5.1
140.01137	5.2
151.00417	9.7
152.01135	9.3
153.01964	35.0
165.01988	5.8
166.72435	3.8
168.00642	9.2
169.01427	50.0
211.02492	13.3
271.04520	15.5
283.06131	4.4
315.07373	18.3
325.04919	3.9
359.28165	7.7
404.02310	4.0
429.20703	3.8
521.33301	100.0
522.33124	8.4
563.21289	4.4
581.11322	30.2
581.22272	98.9
582.12238	6.6
582.22406	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	581.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56538	0.4
59.01374	1.1
61.98830	11.3
63.96242	0.8
67.94775	0.5
69.03468	0.5
71.01389	5.5
73.02935	1.3
78.98591	5.1
79.95728	8.0
80.96517	56.7
81.03465	0.6
85.02957	2.1
85.60435	0.4
85.62613	0.4
87.00884	2.4
87.23613	0.4
94.98083	12.9
96.95976	0.8
97.02940	1.0
101.02433	2.1
106.98087	2.9
120.52819	0.4
122.97600	4.3
125.02448	3.0
130.01231	0.5
134.97581	4.4
136.99132	1.4
148.99130	4.1
152.98654	5.6
164.98628	9.5
182.99701	1.4
206.99663	3.2
225.00748	14.3
243.01805	1.5
245.22984	0.6
281.24731	2.8
283.26428	1.2
299.04456	2.9
356.26700	0.5
384.26419	1.1
412.25922	1.2
508.34003	0.9
553.63971	0.5
581.30005	100.0
582.30420	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	581.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83413	0.5
54.02376	0.6
59.01372	1.4
61.98814	0.6
63.96245	0.8
71.01004	0.9
71.01378	7.5
73.02930	2.1
78.98600	5.6
79.95739	10.3
80.96519	66.2
81.03455	1.1
85.02953	2.7
87.00871	2.5
92.27679	0.6
94.98087	13.7
96.96017	0.8
97.02892	1.4
98.36572	0.6
99.00901	0.5
101.02426	2.6
104.17995	0.5
106.98077	2.7
122.97575	5.9
125.02425	3.2
127.03928	0.9
134.97551	3.1
136.99077	1.3
146.97574	0.5
148.99126	5.5
152.98640	8.0
164.98628	11.1
182.99689	2.3
206.99663	2.3
224.98679	1.2
225.00761	15.1
243.01805	1.7
272.79111	0.6
281.24863	3.6
299.04416	2.0
417.65131	0.7
496.36435	0.7
581.29993	100.0
582.30316	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	581.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
57.03453	1.5
59.01381	22.9
59.10281	0.5
61.98824	5.4
69.03458	1.2
70.79759	0.9
70.80093	0.9
71.01383	21.6
72.99323	1.3
73.02948	12.8
75.00875	0.7
80.70605	0.6
83.01390	4.0
85.02951	10.9
86.00101	0.6
87.00876	2.2
89.02448	6.6
95.01373	0.9
97.02953	1.6
99.00893	5.2
99.04494	0.6
101.02443	21.0
109.02855	0.5
113.02450	7.9
115.04014	1.1
119.03516	1.1
122.27111	0.5
125.02437	2.6
131.03503	1.2
142.77765	0.6
143.03520	1.2
159.02969	1.5
161.04526	3.2
209.12012	0.7
221.60501	0.6
227.20323	0.8
271.77380	0.6
345.20779	1.2
363.21912	1.9
389.25394	2.9
521.29578	6.3
522.30328	0.9
563.30841	3.6
581.31781	100.0
582.32214	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	581.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92153	0.8
53.13591	0.8
59.01380	8.8
61.98821	3.1
62.19545	0.8
69.62543	1.0
71.01385	2.7
73.02950	1.2
85.42575	0.8
86.76444	1.0
92.44090	0.8
100.54787	0.8
101.02452	1.2
108.02151	1.2
109.02994	1.1
113.02398	1.1
115.00340	1.7
116.92886	5.3
123.00893	1.3
125.02466	5.5
133.01418	2.8
135.45064	0.8
137.02420	3.1
145.02943	2.5
147.04521	2.2
151.04057	4.1
152.01122	1.4
153.01883	1.6
163.04037	3.7
165.01929	1.3
169.01405	3.6
174.03230	3.1
175.04005	12.2
176.04849	4.4
177.05515	1.6
179.03540	1.2
180.04288	7.0
181.04942	0.9
188.04758	3.7
189.05586	5.0
190.06371	18.2
191.07140	13.1
193.05045	6.6
194.05870	7.5
202.47049	0.8
203.07109	2.1
205.08711	15.6
206.09064	1.2
207.06657	6.1
208.07416	8.9
211.02397	1.6
222.09108	1.3
271.04660	1.6
291.59518	0.8
300.02789	1.9
301.03143	1.6
302.03210	2.1
329.13934	3.1
374.13617	2.7
375.13748	1.0
389.16077	100.0
390.16428	8.2
419.17017	2.7
501.18729	1.1
563.14026	1.4
581.13733	4.2
581.22443	3.1
607.79932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22588	2.4
51.52298	2.4
59.01381	13.3
61.98833	25.3
71.01385	8.1
71.51682	4.3
85.02959	5.2
87.00869	3.0
88.76260	2.7
89.02449	5.3
99.15193	3.0
101.02443	3.7
103.24544	3.1
104.45119	3.1
108.02165	11.6
109.02951	10.4
123.00901	2.7
125.02407	9.4
131.47484	2.8
139.00412	3.2
149.06107	3.1
151.07564	3.0
152.01169	17.6
153.01944	7.7
160.05293	4.1
161.06038	5.9
162.03194	4.1
169.01392	10.8
172.05276	31.1
175.07646	7.0
177.05508	4.0
177.09221	3.1
180.04323	3.8
187.07635	38.8
189.05446	3.1
190.06339	12.9
191.07152	6.8
193.04927	3.8
205.08696	12.2
227.12907	3.5
265.07144	4.7
271.04633	3.3
299.12973	5.9
311.12766	5.1
315.07144	19.4
323.12747	4.8
329.13785	18.4
341.13922	25.5
359.14999	100.0
360.15244	8.6
389.21628	4.0
429.13950	7.0
537.16083	17.4
581.14642	7.0
581.22528	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	581.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36188	0.2
55.07436	0.2
59.01368	0.3
66.45515	0.2
71.01344	0.3
79.53679	0.2
79.95744	2.6
96.96014	100.0
106.29993	0.2
125.02455	2.2
131.06203	0.2
151.00322	0.3
152.10269	0.2
168.00661	0.3
169.01422	4.6
175.02423	0.5
194.61722	0.2
211.02528	1.7
241.03647	0.3
271.04568	2.8
313.05560	0.7
331.06760	0.3
483.07761	10.2
484.08182	0.7
541.13165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06437	0.4
59.01378	20.8
61.98831	30.7
69.03447	0.7
69.45837	2.3
70.13585	0.4
71.01382	13.3
73.02950	1.1
77.03952	0.5
81.03441	0.5
83.01369	0.5
85.02962	1.6
89.02443	16.6
92.02782	0.5
93.03459	18.6
95.01389	1.6
97.02944	1.1
98.90810	0.5
99.00877	0.8
101.02439	3.3
107.01388	0.6
107.05045	1.1
108.02169	2.2
113.02450	2.1
121.02957	100.0
122.03270	3.0
123.00875	1.1
123.04513	1.1
125.02444	9.4
131.03508	3.7
136.01671	1.2
137.02443	14.7
143.03473	1.2
148.83035	0.5
148.90562	0.4
149.04564	4.7
151.03954	0.6
169.01396	2.6
191.05499	0.5
197.06075	2.3
199.07681	0.9
227.07129	26.5
228.07468	1.7
233.06688	0.9
281.06656	6.7
287.22177	0.7
293.08795	6.5
299.09164	0.5
326.73245	0.5
413.10641	2.3
415.12476	10.8
415.18094	0.6
581.22565	2.0
581.31903	2.7
582.22479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.9
59.01384	12.0
61.98831	55.0
67.01906	2.3
69.03461	1.6
69.28725	1.3
69.29134	6.2
71.01390	9.3
71.05027	2.0
72.99320	1.7
73.02949	2.0
75.00873	1.0
79.01909	2.4
81.03465	1.9
83.01394	1.0
85.02950	2.7
87.04511	1.2
88.98811	1.6
89.02442	4.6
93.03462	2.6
95.01395	3.5
95.04957	0.9
96.96035	6.6
97.02954	1.6
98.20667	2.0
99.00882	1.1
99.04520	3.7
101.02454	3.9
107.01405	11.0
109.02965	1.7
111.00884	2.3
113.02473	2.5
121.02959	37.1
123.00888	25.2
123.04520	2.0
124.01651	1.2
125.02452	36.4
137.02448	3.7
139.00369	8.0
140.01164	3.0
141.01918	2.0
149.04613	1.1
149.99586	1.1
151.00363	15.6
152.01143	1.0
153.01955	1.7
165.02090	1.1
165.05582	0.9
166.99918	1.0
167.03539	0.9
167.10750	1.2
168.00665	6.2
169.01428	69.4
170.01775	1.4
179.10884	0.8
181.01556	1.0
193.01422	1.3
211.02434	6.9
227.03528	18.1
227.07054	2.1
249.14934	2.3
253.03485	1.4
255.02986	22.0
256.03552	2.9
267.16031	6.2
271.04544	1.4
284.03265	10.4
285.03888	4.1
287.22281	1.6
291.16171	1.0
293.08771	2.5
309.17004	3.8
313.05591	2.0
363.21445	1.5
401.16068	1.3
415.12643	4.4
419.16739	2.1
429.21252	1.1
521.33179	2.3
581.12946	22.8
581.22412	100.0
581.31006	5.8
582.13239	2.5
582.22736	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	580.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77705	0.3
54.46579	0.3
59.01381	14.2
61.98833	4.4
68.66982	0.3
69.44579	0.6
69.44985	1.8
71.01381	0.4
76.18687	0.3
78.42186	0.3
78.95906	6.4
78.96336	0.6
79.95753	0.5
80.96518	2.8
94.98095	0.8
117.91391	0.3
145.02991	0.5
146.03258	0.5
152.99612	1.5
168.04337	1.4
180.89960	0.5
185.86099	0.3
224.06912	0.6
225.00781	0.4
242.08034	2.6
281.24857	100.0
282.22311	0.6
282.25223	6.3
346.90399	0.4
365.57254	0.3
506.32523	25.2
507.32773	2.9
580.28882	3.8
581.18567	0.4
581.28790	0.6
591.18823	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87561	0.2
59.01388	0.3
61.98830	100.0
78.95908	1.0
79.95744	0.2
95.20512	0.2
96.96030	0.5
104.70824	0.2
147.82127	0.2
150.22707	0.2
152.99670	0.4
160.00523	0.2
274.74191	0.2
277.21725	1.5
278.22122	0.8
279.22424	0.4
280.22681	0.3
358.31674	0.2
502.29654	0.9
503.29990	0.3
505.30435	0.6
579.26349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.3
61.98833	100.0
63.73317	0.2
65.01071	0.2
78.95936	0.4
80.53120	0.1
98.20743	0.3
152.99612	0.4
186.61360	0.2
277.21725	1.8
278.22116	1.1
279.22412	0.6
280.22681	0.3
502.29214	0.7
505.30304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81914	0.3
57.03433	0.3
59.01375	1.9
61.98830	100.0
71.01392	1.2
84.29149	0.4
89.02470	1.1
93.27949	0.3
93.34482	0.3
96.96025	0.9
102.43216	0.4
102.94222	0.4
103.71027	0.3
109.02934	0.5
117.46935	0.4
123.00974	0.4
125.02443	2.2
137.02475	0.6
149.04680	0.3
151.00494	0.4
153.01904	0.4
157.53484	0.4
169.01387	0.8
239.31779	0.4
271.04645	0.5
285.04208	0.9
303.05240	1.6
419.17111	0.8
544.70563	0.4
581.15112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06844	0.7
54.14141	0.8
55.95792	0.7
59.01110	1.2
59.01385	16.9
61.98840	3.5
71.01371	1.0
71.50308	0.9
71.50719	0.8
78.95911	26.9
79.95753	1.3
80.96535	7.6
89.77368	0.9
94.98073	2.1
96.96013	1.9
101.02480	0.9
115.92093	2.9
116.92851	2.3
119.29639	0.7
125.02425	0.8
127.35515	0.7
134.97684	0.7
145.02968	2.8
147.72569	0.8
152.99628	4.7
164.98619	1.2
168.04344	3.6
171.00664	1.3
171.56847	0.8
172.95399	0.9
179.89253	3.4
180.90007	2.5
196.89565	3.4
224.06952	6.0
225.00676	0.9
235.91888	1.4
236.92604	2.5
242.08005	1.6
281.24878	100.0
282.25140	7.2
310.96161	0.9
342.40024	1.0
482.27734	0.8
491.60089	0.8
506.32541	60.5
507.32834	6.4
580.28973	13.1
581.18250	6.9
581.27991	1.5
581.37543	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	579.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	27.0
59.20222	11.3
61.98827	100.0
69.18970	71.3
69.19392	40.2
71.01373	20.2
79.95752	18.2
89.70269	13.6
96.96056	13.6
125.02454	17.2
192.62715	15.2
289.18137	21.3
579.25909	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	579.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16271	0.3
54.22652	0.3
55.01880	1.5
57.03447	1.4
58.00591	1.8
58.20406	0.3
59.01381	44.7
60.01709	0.4
61.98832	3.8
64.73894	0.3
65.60587	0.3
68.04443	0.3
69.21361	0.3
69.61975	0.7
69.62381	1.5
71.01385	24.0
72.99304	2.0
73.02943	3.1
83.01379	3.6
85.02954	8.5
87.00873	1.8
89.02445	19.7
90.98648	0.3
95.01385	2.4
96.96023	0.5
98.19872	0.3
99.00900	1.2
99.04514	3.3
101.02443	18.2
111.00880	0.4
113.02451	9.5
119.03502	6.9
125.02444	1.0
131.03499	0.5
137.91772	0.3
148.01608	0.4
149.04576	0.7
161.04610	0.5
164.30550	0.3
168.00598	0.5
169.01442	0.5
179.05606	1.1
237.14973	0.8
285.07721	1.0
290.67017	0.4
326.96606	0.3
339.12299	0.3
399.20215	100.0
400.20554	7.8
401.16415	0.3
443.84082	0.3
579.26569	30.7
580.13342	0.4
580.26782	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	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15531	0.5
52.93405	0.5
59.01379	21.1
69.17723	4.4
69.18139	1.3
71.01410	2.7
78.95905	21.0
78.98606	1.6
79.58651	0.5
79.95726	3.3
80.09792	0.5
80.96517	24.9
81.96456	0.7
82.96118	1.4
85.02970	0.6
87.00877	0.9
94.98076	5.3
101.02496	0.7
103.57458	0.5
106.98112	1.2
122.97639	1.3
123.60598	0.5
125.02448	1.2
134.97603	1.6
148.99150	1.8
152.98611	1.4
152.99667	2.4
164.98601	2.6
165.99007	0.6
168.04292	2.9
224.06950	7.8
225.00752	3.4
226.01022	1.2
242.08060	2.4
278.22150	0.7
279.23285	100.0
280.23639	7.7
299.04282	0.7
339.10147	0.5
377.39200	0.7
432.07413	0.6
484.67484	0.5
504.30954	63.5
505.31296	6.0
578.27155	35.2
578.36438	1.2
579.26898	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2079
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
54.57461	0.6
59.01382	5.5
60.65723	0.8
61.98835	6.2
69.93783	0.7
69.97760	2.5
69.98174	1.4
71.01376	4.5
73.02943	1.1
83.01381	1.1
85.02959	0.8
89.02426	2.3
95.01390	1.4
95.86128	0.7
101.02430	1.9
106.17755	0.6
107.40211	0.7
108.02204	0.7
108.50156	0.6
109.02941	2.0
111.00864	1.0
113.02431	0.9
123.00889	2.7
124.01665	1.9
125.02441	5.2
127.82973	0.7
137.02458	9.3
139.00388	1.4
149.99554	1.2
151.00362	16.9
151.03992	1.9
152.01088	1.0
152.04776	2.4
165.01952	0.9
166.02713	51.6
167.03391	2.9
168.00618	3.0
169.01418	4.4
175.03906	0.9
177.01877	2.8
181.05063	62.0
181.12305	1.1
182.05374	2.2
185.64386	0.8
191.03395	0.7
192.04265	1.2
193.05000	1.1
195.02960	0.7
205.05099	1.2
205.08681	1.1
207.06531	1.1
211.02457	2.8
225.11346	2.6
256.13638	0.7
271.04541	3.7
285.03986	1.3
306.07318	0.9
320.99185	0.7
331.06680	4.0
359.11475	1.5
387.10831	16.1
402.13187	6.5
417.15524	100.0
418.15909	7.4
421.01917	0.8
508.69501	0.9
519.31714	1.3
579.14056	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	577.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
66.83706	0.5
69.61740	1.3
69.62147	2.6
78.95901	7.4
85.31387	0.6
95.14685	0.5
95.52544	0.6
102.99537	0.7
110.98540	6.4
118.16447	0.5
125.09748	0.9
127.11301	2.0
153.09239	0.8
161.20074	0.5
167.01135	2.6
171.10272	100.0
172.10583	3.4
255.23291	35.1
256.23672	2.2
258.27274	0.6
359.17981	0.6
405.23840	0.7
405.49231	0.7
423.25241	5.1
577.35181	6.4
578.35394	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.9
61.98805	1.1
71.01379	3.1
71.49933	1.4
89.02456	2.0
101.02433	4.0
109.88635	1.1
119.03523	1.6
121.98959	1.2
157.58684	1.1
161.04570	1.0
207.10245	3.1
209.11787	6.7
220.23465	1.2
225.11281	5.6
235.08177	1.9
253.09253	12.5
281.24844	100.0
282.25320	6.7
293.21194	10.2
295.22766	3.2
331.23090	1.1
443.41174	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	578.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22679	0.2
59.01379	1.4
61.98830	100.0
70.30021	0.2
70.99966	0.4
71.01400	1.4
73.02964	0.2
74.02500	0.2
85.02961	0.5
89.02436	0.5
101.02457	0.5
105.64098	0.2
106.31162	0.2
107.01461	0.4
113.02489	0.4
117.92908	0.3
123.00932	0.4
125.02476	1.2
128.03526	0.4
137.02441	0.6
143.04645	0.7
152.06007	0.2
165.23663	0.2
169.01421	1.8
175.04022	0.3
207.10344	0.5
209.11830	0.3
210.08829	0.3
211.02670	0.3
272.08887	0.4
306.07581	0.4
519.32068	0.8
565.66760	0.2
578.20844	0.6
585.08368	0.3
589.52484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18173	0.4
61.98827	100.0
71.01364	0.4
79.95742	0.6
80.96512	2.1
84.14207	0.4
94.98126	0.4
95.59689	0.4
98.87104	0.3
122.97635	0.4
164.98653	0.4
202.49956	0.4
211.51569	0.4
225.00662	0.6
229.46771	0.5
243.18413	0.4
274.97403	0.5
279.23279	0.7
280.23608	0.4
334.22888	0.4
370.28976	0.3
579.28497	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	578.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	13.9
60.01704	0.4
64.96571	0.3
71.01377	1.3
72.01720	0.3
78.95905	6.0
78.98577	1.3
79.95736	1.5
80.93102	0.3
80.96515	13.1
82.96098	0.5
84.37685	0.3
85.02976	0.9
94.98080	2.3
96.96002	0.5
98.19860	0.8
101.02499	0.5
106.98043	0.7
120.58912	0.3
122.97582	0.8
125.02449	0.6
134.97575	0.8
139.56099	0.4
148.99084	0.8
152.98566	0.8
152.99597	1.1
160.14983	0.3
164.98650	2.3
168.04297	1.1
182.99675	0.6
206.99577	0.3
224.07062	0.8
225.00755	2.1
226.01118	0.7
242.07967	2.8
278.21915	0.3
279.23273	100.0
280.23654	7.5
307.24271	0.3
504.30945	27.6
505.31351	3.3
538.97626	0.4
578.27209	20.4
579.27167	3.3
608.00317	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95478	0.6
78.95906	6.9
80.34988	0.3
96.95998	0.3
110.98530	7.1
110.99241	0.5
125.09710	1.1
127.11273	2.2
143.39949	0.3
149.94824	0.4
167.01131	3.7
171.10265	100.0
172.10600	3.9
185.02330	0.4
195.72343	0.3
219.67947	0.4
255.23277	37.9
256.23532	2.5
339.12213	0.4
354.81848	0.4
405.24371	0.7
423.25101	6.0
424.25674	0.4
475.28256	0.3
577.35022	7.2
578.35449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57575	0.5
57.03442	0.8
58.52351	0.5
59.01382	10.1
61.98833	11.0
67.37666	0.5
69.03454	1.2
70.29422	0.4
71.01393	7.6
71.52939	0.8
73.02927	1.5
75.00864	0.6
79.30914	0.4
81.03455	0.5
83.01405	1.2
83.05020	1.4
84.02161	4.2
85.02952	2.3
85.78255	0.6
87.00886	1.1
88.98808	0.9
89.02464	5.9
91.65462	0.5
95.01381	0.8
97.02949	1.9
97.06603	4.9
99.04483	1.0
101.02451	7.2
107.05033	0.9
108.02170	2.5
113.02468	3.1
119.03510	1.6
119.08620	0.7
121.02993	0.8
123.00862	0.9
123.04595	0.5
123.08178	2.8
125.02462	3.0
125.09717	1.6
127.11302	0.8
135.08195	0.9
137.09743	0.6
145.02980	0.6
147.08147	1.3
149.04599	0.7
149.06010	0.8
151.00349	0.6
151.04008	1.0
159.02977	0.6
161.02444	0.8
161.04605	3.0
164.08417	0.8
165.09221	7.9
165.12767	0.7
168.00636	0.8
169.01454	3.4
171.10281	16.4
177.12781	0.6
179.05565	1.2
185.11899	0.6
189.05476	0.8
191.05516	0.7
191.07153	7.1
193.12340	8.4
197.11783	0.7
199.26849	0.5
209.08199	29.2
210.08553	1.6
211.13365	2.4
221.11847	1.1
225.14989	13.1
226.15265	0.6
243.16010	5.3
253.09294	25.5
254.09622	1.0
266.11346	0.5
269.04593	1.1
273.71298	0.6
291.19684	1.6
305.21274	0.8
341.23334	100.0
342.23648	5.7
353.12103	0.9
368.25052	0.5
371.13474	6.9
372.13852	0.7
517.30267	0.9
533.23749	2.6
577.23230	2.8
577.31659	1.6
578.22900	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.7
57.03434	0.5
59.01376	12.8
60.85556	0.5
60.99310	0.5
61.98832	19.0
69.03448	1.8
71.01382	6.9
71.52524	0.9
72.99303	1.2
73.02934	2.3
75.00873	1.9
75.66681	0.6
83.01360	0.7
83.05034	1.0
84.02161	0.6
85.02947	2.4
87.00860	1.8
88.98768	1.4
89.02451	6.8
96.96016	0.6
97.02950	0.7
97.06590	8.2
99.00916	0.7
99.04492	0.8
101.02440	7.3
102.67941	0.6
109.02940	0.6
113.02441	3.4
119.03475	2.0
123.00860	0.7
123.04456	0.7
125.01602	0.5
125.02447	2.6
125.09687	1.2
131.03481	1.2
137.09673	0.7
140.01102	0.7
149.04529	1.2
151.03940	0.7
151.11276	0.7
161.02461	1.1
161.04510	2.9
163.03976	0.6
169.01419	3.9
171.10277	5.9
175.11229	1.0
179.05626	1.1
183.03012	0.8
185.11794	1.1
191.07143	0.8
193.12325	12.6
197.15399	0.8
205.04913	0.7
209.08144	2.1
209.11720	0.8
211.13431	3.5
211.27768	0.6
221.11874	0.9
225.14954	17.5
226.15218	1.3
239.13036	0.5
243.15990	7.6
244.57031	0.5
253.09279	25.4
253.14499	1.5
291.19589	1.1
301.03577	0.6
341.23294	100.0
342.23602	6.9
355.24783	0.9
476.14600	0.6
517.30347	1.0
577.23639	1.1
577.32208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	14.9
59.01359	1.0
63.53061	0.9
63.72112	0.8
70.26301	3.3
81.03458	1.4
83.01390	4.7
93.03451	2.8
95.05019	1.6
96.95983	1.9
97.02956	3.0
98.19970	0.9
107.04997	1.5
108.02184	1.0
109.02953	22.6
117.03504	1.2
121.02940	5.1
122.03725	1.0
123.04523	15.4
125.02447	100.0
126.02785	2.2
131.05035	1.5
133.02928	4.7
135.04480	2.7
137.02443	17.3
139.04001	2.3
143.04941	1.0
149.02460	5.1
149.06085	1.6
150.03174	1.2
151.04025	12.8
159.04546	1.6
161.02448	28.7
161.06064	3.3
162.03261	2.2
163.00356	1.9
163.03954	2.0
164.01163	5.3
165.01958	5.5
167.03464	1.2
169.01341	1.4
175.04012	9.4
177.01947	7.4
177.05528	1.8
178.02614	1.1
179.03464	4.0
185.05911	1.3
187.04042	7.5
188.04774	3.5
199.07669	1.2
201.05501	1.9
202.06311	1.4
203.03520	2.0
203.07140	9.8
205.01428	1.9
205.05098	7.0
212.04871	1.1
213.05637	1.3
215.03497	1.3
217.04955	2.0
221.08275	1.7
227.03513	2.2
227.07062	1.2
229.05096	3.5
231.02914	1.4
243.02977	2.8
244.20117	1.1
245.04538	6.5
245.08151	12.8
247.06139	2.4
253.05016	1.7
255.02974	9.7
256.03778	5.8
257.01163	1.0
257.04504	2.8
271.06213	1.6
273.04019	4.7
274.01221	2.3
275.01959	5.7
281.04550	3.5
283.02325	1.6
285.04105	2.3
287.05576	6.3
289.07172	67.7
290.07541	3.9
297.03958	1.1
299.05478	5.4
299.99109	1.7
300.99875	1.4
329.06567	1.9
339.08530	2.9
381.09656	2.7
407.07693	65.0
408.07977	5.4
425.08801	23.9
426.09149	2.4
451.10196	11.9
559.12482	1.5
577.12885	6.2
580.37378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1563
Annotation	Kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.06212	0.5
54.77164	0.4
59.01379	7.7
61.98830	2.2
65.00343	0.5
69.03439	0.6
69.29900	2.7
69.30318	1.1
71.01382	4.8
72.99341	0.5
73.02964	0.7
83.01373	0.7
83.09714	0.5
83.10233	0.5
85.02944	1.1
86.68463	0.4
87.00903	0.7
88.98804	0.8
89.02448	4.0
93.99474	0.5
95.01391	0.6
99.00906	0.4
101.02458	2.6
107.01388	1.8
109.02943	0.7
113.02457	1.6
115.02237	0.4
119.03504	1.6
123.00884	1.1
125.02464	1.7
132.02180	1.1
135.00899	1.3
135.02985	0.6
139.00337	0.5
143.03467	0.8
149.04675	0.5
151.00407	2.4
152.01172	0.5
152.99628	0.5
155.02289	0.6
161.04584	0.8
163.00334	0.7
167.05043	0.5
169.01344	2.2
178.99850	1.8
179.05615	1.3
183.04517	1.0
190.81206	0.5
211.03967	1.5
212.04480	0.5
219.68030	0.5
227.03490	42.2
228.03819	2.0
229.04985	0.9
239.03497	0.8
255.02979	68.8
256.03564	7.7
257.04489	0.6
283.02429	0.9
284.03253	100.0
285.03845	14.1
286.04346	0.6
299.98953	0.6
348.38470	0.5
413.08728	0.9
514.20215	1.5
517.30151	1.2
577.15552	63.5
578.15900	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	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81464	0.2
59.01379	16.9
78.95904	6.5
78.96349	0.2
152.99594	1.3
153.58105	0.3
155.04588	0.3
161.54152	0.3
168.04320	1.8
224.06906	1.2
242.07974	3.2
243.03290	0.3
259.20697	0.5
268.81497	0.4
275.20154	0.4
277.21710	100.0
278.22037	7.1
306.71609	0.3
502.29416	31.1
503.29825	2.7
541.40765	0.3
553.93488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71565	0.5
59.01381	25.8
61.98823	0.8
78.95905	27.0
98.19909	1.4
152.99576	4.1
156.76624	0.5
168.04327	3.5
224.06906	10.7
242.07956	2.3
259.20685	0.5
277.21719	100.0
278.22037	5.8
502.29401	71.8
503.29721	7.2
545.42273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1352
Annotation	Kaempferol 3-(6''-(Z)-cinnamylglucoside)
Peak:m/z	Relative Intensity
55.87958	0.5
59.01374	3.7
61.98835	6.6
63.02385	0.8
65.00335	1.2
70.51878	1.6
78.95910	1.8
83.01373	0.7
96.96023	0.8
101.02478	0.8
107.01433	1.4
125.02434	0.9
133.02992	1.0
135.00874	1.0
151.00397	3.3
152.99564	1.5
153.01924	0.6
159.04488	0.6
163.00345	0.6
169.01416	2.0
171.10216	1.0
178.99887	0.7
183.04462	2.1
187.03885	0.6
209.11948	0.8
211.03941	1.7
213.05554	0.9
227.03490	75.0
228.03896	3.2
229.05067	1.4
255.02986	97.1
256.03644	11.4
257.04385	1.3
284.03256	64.5
285.03992	24.4
286.04358	0.9
294.91736	0.7
327.05057	1.6
356.37173	0.6
358.06131	0.6
429.08109	0.9
517.30237	0.7
522.59204	0.7
577.13495	100.0
578.13867	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	577.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	13.8
59.01396	1.1
61.98795	1.2
70.25900	0.9
70.26241	3.2
71.01431	0.9
76.02415	1.0
81.03455	1.7
83.01386	4.2
93.03472	2.5
95.01392	1.0
95.05049	1.6
96.96053	1.8
97.02969	4.1
98.20576	1.3
107.05057	1.2
108.02254	0.9
109.02952	19.8
110.03358	1.1
113.02409	1.0
121.02974	3.3
122.03741	1.1
123.04526	14.5
125.02449	100.0
126.02782	1.9
133.02937	4.2
135.04559	2.5
137.02448	22.8
139.04010	3.2
141.43610	0.8
145.02922	1.3
146.03775	0.8
147.04547	1.3
149.02455	6.5
150.03261	1.3
151.04025	9.9
159.04488	2.9
160.05359	0.9
161.02455	25.8
161.06058	4.7
162.03172	2.0
163.00354	2.6
163.04018	3.3
164.01126	5.1
165.01929	6.4
167.03548	1.2
169.01457	1.9
174.03212	1.2
175.04041	8.7
177.01952	6.7
177.05507	1.2
179.03572	4.7
185.06067	1.7
187.03981	7.0
188.04753	3.9
189.01888	1.4
193.04988	1.0
199.03906	1.7
200.26810	0.9
201.01910	1.3
201.05571	2.0
202.06311	1.4
203.03523	1.6
203.07108	8.6
205.01369	1.2
205.04997	6.5
213.05630	1.7
214.02769	1.4
215.03601	1.5
217.05023	1.7
221.08174	1.8
225.05606	1.1
227.03398	1.3
229.05089	3.6
231.03026	1.1
243.02942	2.3
245.04572	5.1
245.08183	12.7
247.06165	1.4
253.05138	1.1
255.02960	6.5
256.03659	5.0
257.04486	1.9
269.04547	3.3
273.03976	4.8
274.01218	1.6
275.01965	3.8
281.04480	3.1
283.02637	2.1
285.04004	2.6
287.05563	8.1
289.07175	68.8
290.07458	4.1
299.05600	6.0
300.99823	1.2
329.06534	1.8
339.08667	3.6
381.09744	3.3
407.07693	56.3
408.08044	5.2
408.12643	0.9
414.81418	1.0
425.08807	20.0
426.09250	1.9
451.10370	14.1
452.10568	1.6
515.11578	1.3
538.88049	0.9
559.11896	1.3
577.13092	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	575.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
67.19644	11.5
67.41429	11.4
69.40281	100.0
112.48918	11.3
113.12259	14.4
116.92889	24.0
120.95470	11.7
161.76944	13.4
166.20543	11.7
171.10300	29.1
198.09985	12.2
202.76944	11.7
205.66577	11.6
314.59702	17.0
351.07092	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	576.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84288	0.2
53.43471	0.2
58.14202	0.2
59.01378	1.1
61.98830	100.0
65.23667	0.2
70.62125	0.2
71.51068	0.3
76.85721	0.2
78.95921	1.0
89.02459	0.7
100.36550	0.3
101.02473	0.3
109.17768	0.3
111.00925	0.4
121.26558	0.2
123.00889	0.4
124.01784	0.2
125.02481	1.1
127.00393	0.3
139.00433	0.4
140.01205	0.4
152.99620	0.7
163.76996	0.2
168.00667	0.3
169.01436	0.8
183.06215	0.2
190.26500	0.3
209.11896	0.4
210.12120	0.3
335.55991	0.3
384.24817	0.4
424.27045	16.9
425.27130	1.2
452.01834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24437	0.2
52.81503	0.3
55.72529	0.2
59.01385	0.8
61.98830	100.0
71.01385	0.3
78.95923	0.4
80.97163	0.2
87.43214	0.2
89.27660	0.3
98.19933	0.6
125.02451	0.5
143.28535	0.3
144.93744	0.2
153.08627	0.3
234.39383	0.3
260.96246	0.3
313.05267	0.3
341.23267	0.3
361.73047	0.3
408.76324	0.3
424.27026	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	576.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31953	0.4
59.48542	0.5
61.98829	100.0
63.66381	0.5
69.14347	1.4
69.14771	4.1
71.01385	1.2
74.33639	0.6
78.98584	0.7
79.95763	0.8
80.96517	8.7
85.02954	0.6
94.98090	1.7
106.98221	0.5
109.17052	0.5
114.65652	0.5
122.97576	0.7
134.97459	0.6
148.99135	0.8
152.98656	0.8
164.98666	0.7
180.63985	0.5
185.12488	0.6
207.51569	0.5
225.00761	2.5
263.29892	0.5
277.21548	0.5
278.22073	0.6
471.25986	0.6
577.26855	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	576.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52284	0.3
51.48415	0.3
61.98830	100.0
70.29657	1.2
71.01393	0.7
73.92163	0.4
78.98592	0.4
79.95750	1.3
80.96513	6.1
85.02982	0.4
87.00878	0.4
94.35617	0.4
94.98106	1.0
97.77348	0.4
148.99228	0.4
159.81085	0.3
162.74265	0.4
164.98674	0.8
192.85382	0.4
209.11794	0.4
225.00809	1.2
278.22076	0.6
327.80185	0.4
376.73962	0.4
438.57617	0.4
453.80402	0.4
577.26819	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	574.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88685	0.3
58.88918	0.2
59.01376	1.1
60.16730	0.2
61.98830	100.0
62.20614	0.2
69.23487	2.2
69.23889	0.3
71.01378	0.7
76.27136	0.3
85.02950	0.5
89.02460	0.5
98.19810	0.5
101.02471	0.4
101.35283	0.3
123.70255	0.2
154.60609	0.3
256.48502	0.3
379.21155	0.3
381.22437	0.4
382.22574	0.4
573.48138	0.3
593.32294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77315	0.2
57.04864	0.2
59.01375	1.0
61.98830	100.0
69.21242	1.8
69.21652	0.3
71.01387	0.5
78.95914	0.3
85.02940	0.4
89.02474	0.2
113.02515	0.2
131.03540	0.3
142.61887	0.2
382.23483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.4
61.98830	100.0
67.12602	0.1
71.01393	0.6
78.95898	0.3
85.02972	0.2
89.02432	1.0
101.02467	0.5
113.02427	0.3
119.03536	0.3
131.03546	0.6
132.03856	0.3
149.04588	0.2
161.04605	0.2
179.05608	0.3
232.89787	0.2
266.24548	0.1
381.23047	0.2
382.23370	0.5
386.68671	0.2
433.01801	0.2
514.27563	0.3
574.25073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.3
57.03444	2.1
58.00587	3.0
59.01379	100.0
60.01714	1.2
61.39819	1.4
61.98833	9.9
69.42541	5.2
69.42966	5.2
71.01382	60.3
72.99284	3.0
73.02954	15.8
78.95913	1.9
83.01391	6.5
85.02953	26.2
87.00861	3.6
88.75440	1.4
89.02440	49.8
95.01392	2.6
97.02962	1.9
98.19923	3.1
99.00887	9.9
101.02439	51.6
101.03111	2.8
113.02446	26.6
114.49975	1.4
119.03499	17.5
125.02448	3.8
131.03508	54.1
143.03494	3.4
149.04561	20.6
152.99409	1.4
159.02957	3.6
161.04544	26.0
178.56815	1.7
179.05589	5.4
191.05623	17.5
229.64992	1.4
260.80081	1.5
277.18887	1.4
298.84274	1.7
381.22830	65.6
382.22983	2.8
513.27051	10.3
579.46021	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	573.3074
Annotation	Galphimine I
Peak:m/z	Relative Intensity
51.45744	1.3
51.62851	1.5
53.00869	1.4
59.01371	1.6
61.98836	3.2
66.90348	1.3
86.64178	1.3
93.03404	1.5
97.02950	1.4
98.00037	1.5
119.54253	1.3
123.00957	1.6
124.01670	2.9
125.02425	1.4
125.88098	1.4
137.02505	1.3
138.03149	2.4
149.02425	1.5
150.03291	2.0
153.01976	4.2
158.80943	1.3
167.03505	5.0
176.01117	1.6
181.01468	5.2
187.04005	2.1
196.63222	1.6
211.02554	1.6
229.45821	1.7
246.05269	1.5
301.25287	1.5
331.26425	3.2
347.25906	4.9
359.25888	16.9
360.26334	3.7
361.27490	14.7
373.27545	3.2
399.25317	2.6
409.27182	2.5
426.11490	1.6
437.26868	2.5
453.26691	2.1
454.26450	1.9
465.26324	3.2
469.29822	2.0
471.27621	2.3
497.28973	2.8
513.28339	2.8
541.28033	10.7
573.30719	100.0
574.31024	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	573.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00570	2.9
59.01072	2.3
59.01380	90.7
61.98834	100.0
69.15437	17.9
71.01386	37.8
73.02946	4.9
78.95905	4.3
83.01391	2.2
85.02934	8.1
87.00877	2.9
89.02446	61.1
90.14595	1.8
94.96678	1.5
99.00892	4.7
101.02438	31.0
107.76770	1.6
113.02444	12.7
119.03477	13.5
125.02462	2.3
127.92102	1.6
131.03505	43.3
143.03497	4.4
149.04559	31.1
161.04570	6.7
166.73314	1.6
179.05597	13.1
187.09538	2.0
191.05591	17.2
211.13350	2.0
315.61600	1.7
375.41769	2.0
377.15616	1.8
381.22665	8.4
513.27045	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	573.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59816	0.8
50.96883	0.9
55.01882	1.2
57.99295	1.1
58.00584	2.5
59.01380	100.0
61.98833	20.2
70.51532	3.2
71.01380	50.3
72.99296	3.7
73.02940	5.3
78.95909	5.4
83.01383	4.0
85.02945	12.7
87.00874	3.4
89.02447	71.2
91.23808	0.8
95.01382	3.1
99.00887	2.8
101.02444	36.5
102.02758	1.1
113.02448	17.6
119.03504	21.2
125.02435	1.5
127.82004	1.0
128.40627	1.1
129.01956	1.3
131.03502	38.7
143.03499	4.5
149.04568	19.4
152.99597	3.4
161.04561	7.0
179.05605	11.9
191.05614	20.7
194.40315	0.9
211.13525	1.3
212.49873	1.1
225.11243	1.1
251.07648	1.3
381.22736	4.8
513.27026	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	573.219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.4
61.98844	1.5
69.31213	1.2
69.31640	1.2
71.01379	1.7
73.02947	0.6
85.02970	0.7
89.02438	0.8
90.99643	0.3
93.03485	0.6
95.01416	0.3
96.49164	0.3
96.96029	0.4
97.02973	0.4
101.02467	1.4
103.03988	0.6
105.33897	0.2
106.58754	0.3
107.01405	0.6
108.02154	0.5
119.03460	0.4
121.02956	100.0
122.03273	2.2
123.00874	1.0
125.02448	3.1
126.90466	0.7
139.00444	0.4
140.01216	0.5
151.00362	0.5
152.92213	0.3
163.06145	0.8
168.00642	0.5
169.01422	3.2
171.83530	0.3
183.03056	0.3
205.07144	0.3
223.65494	0.3
285.04117	0.4
307.10544	0.3
351.21884	0.5
352.03781	0.3
352.92892	0.4
391.16257	0.6
403.10538	0.3
409.92810	0.6
411.16626	0.5
421.11346	0.9
455.26196	0.3
483.19290	0.5
572.98804	0.7
573.12292	5.2
573.29034	0.5
574.12970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00880	0.6
51.65911	0.6
59.01378	8.8
61.73294	0.6
61.98813	2.8
64.02671	0.7
65.03954	2.7
66.34768	0.6
67.01897	1.4
68.02673	0.5
71.01382	5.3
71.52117	1.0
73.02962	1.0
85.02946	1.7
87.00847	0.8
88.98804	3.0
89.02435	7.1
91.01894	11.8
92.00078	0.6
96.96004	0.9
99.00903	1.2
101.02444	2.7
107.01404	0.9
109.02946	23.1
109.03706	1.4
110.03282	0.6
113.02454	1.3
116.92825	0.8
119.03513	1.0
121.65333	0.7
123.00867	1.3
125.02451	6.0
131.03526	0.5
135.00882	44.4
137.02469	0.8
149.04572	1.5
151.00336	1.1
151.04070	0.6
153.01930	100.0
154.02264	2.8
169.01445	4.4
169.05887	0.6
189.12869	1.3
191.05554	0.8
219.13876	5.0
233.06577	1.2
243.06627	1.4
285.03955	1.0
293.08752	6.7
375.20175	22.7
376.20566	1.3
421.11487	8.4
429.10349	33.4
430.10562	2.3
440.69876	0.6
483.18356	2.8
537.19910	0.8
537.32922	1.6
573.13684	0.6
573.22211	0.8
573.29901	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
59.73049	0.3
61.55576	0.2
61.98830	100.0
64.88983	0.2
64.98122	0.3
97.14440	0.3
98.19816	0.8
105.05827	0.3
191.91188	0.3
211.13364	0.5
220.89449	0.3
269.44730	0.3
289.22006	0.3
294.87650	0.3
313.08603	0.3
448.43292	0.3
478.58136	0.3
530.89484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01903	2.9
57.14714	4.5
59.01387	37.6
61.98820	15.3
68.24164	3.2
69.03453	9.4
71.01382	28.2
79.01905	5.0
83.01419	3.2
83.52632	3.2
85.02961	8.4
85.60415	3.5
89.02442	30.8
97.02960	6.5
100.20268	3.2
101.02441	9.3
107.01366	10.5
108.02180	27.0
109.02927	9.5
113.02457	6.3
121.02955	4.8
121.83575	3.4
123.00888	4.6
125.02457	37.3
131.03490	7.3
135.00870	14.7
137.02419	4.0
149.04521	11.7
151.00386	8.3
152.01158	50.8
153.01935	36.5
169.01427	14.6
234.37787	3.3
239.27113	3.2
241.38025	3.5
243.06622	28.2
293.08759	22.3
301.05972	3.6
327.07095	6.7
429.10370	100.0
430.10437	6.0
447.11542	19.8
476.01920	3.6
573.13519	13.8
573.28534	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	573.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00880	0.6
51.65911	0.6
59.01378	8.8
61.73294	0.6
61.98813	2.8
64.02671	0.7
65.03954	2.7
66.34768	0.6
67.01897	1.4
68.02673	0.5
71.01382	5.3
71.52117	1.0
73.02962	1.0
85.02946	1.7
87.00847	0.8
88.98804	3.0
89.02435	7.1
91.01894	11.8
92.00078	0.6
96.96004	0.9
99.00903	1.2
101.02444	2.7
107.01404	0.9
109.02946	23.1
109.03706	1.4
110.03282	0.6
113.02454	1.3
116.92825	0.8
119.03513	1.0
121.65333	0.7
123.00867	1.3
125.02451	6.0
131.03526	0.5
135.00882	44.4
137.02469	0.8
149.04572	1.5
151.00336	1.1
151.04070	0.6
153.01930	100.0
154.02264	2.8
169.01445	4.4
169.05887	0.6
189.12869	1.3
191.05554	0.8
219.13876	5.0
233.06577	1.2
243.06627	1.4
285.03955	1.0
293.08752	6.7
375.20175	22.7
376.20566	1.3
421.11487	8.4
429.10349	33.4
430.10562	2.3
440.69876	0.6
483.18356	2.8
537.19910	0.8
537.32922	1.6
573.13684	0.6
573.22211	0.8
573.29901	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2887
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.97286	0.6
54.26210	0.6
58.37627	0.7
59.24568	0.6
60.34737	0.6
64.98708	0.6
65.58228	0.5
69.70221	0.6
69.80785	3.3
78.95905	62.3
84.99627	0.6
96.96960	11.5
142.13458	0.7
152.99585	56.2
153.99931	0.7
160.45288	0.6
171.00587	0.8
185.21477	0.7
223.00136	2.0
241.01183	29.4
255.23288	66.6
256.23575	4.2
259.02234	1.0
315.04825	9.4
333.05814	0.7
354.39456	0.7
391.22614	4.9
409.22943	0.8
571.28857	100.0
572.29083	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	571.2909
Annotation	Ganoderic acid H
Peak:m/z	Relative Intensity
58.62918	1.6
59.46541	1.3
61.98803	1.6
71.50208	2.9
83.05023	2.7
88.50787	1.5
95.01397	2.1
98.00118	2.0
103.39200	1.4
109.02966	1.7
112.71249	1.4
123.00851	3.6
124.01641	4.2
136.01598	1.9
136.31932	1.4
137.02428	2.9
137.30161	1.8
138.03192	2.5
148.01654	1.6
149.02405	1.7
150.03244	2.0
153.01923	4.8
164.98431	1.6
165.23265	1.5
167.03485	6.2
181.01401	4.7
213.04074	2.5
251.55383	1.6
329.24799	4.2
336.38095	1.9
345.24295	5.5
345.67117	1.8
357.24374	18.5
358.24899	2.1
359.25958	17.2
360.26263	2.5
371.26022	3.8
388.64923	1.6
391.26291	1.6
397.23938	3.2
407.25897	3.5
435.25308	2.8
439.28561	1.7
451.24872	4.4
463.24857	2.6
467.28027	3.7
469.26132	3.0
479.24136	2.2
511.27075	2.9
539.26337	11.6
571.29102	100.0
572.29449	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	571.276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93624	1.1
55.01879	5.6
57.03440	4.2
58.00592	1.9
59.01380	100.0
61.98820	2.0
65.28719	1.0
65.80244	1.1
70.98097	2.0
70.98405	1.2
71.01382	56.0
72.99305	2.9
73.02949	16.9
76.99248	1.2
83.01387	10.8
85.02952	27.3
87.00900	2.0
89.02446	23.6
95.01393	4.6
97.02944	2.2
99.00883	6.8
101.02440	51.3
113.02453	21.5
119.03493	8.3
123.55775	1.1
125.02423	3.2
131.03502	56.2
135.95923	1.0
143.03456	3.3
149.04555	7.8
150.28128	1.1
159.02960	4.6
161.04561	25.2
179.05623	1.8
191.05573	6.8
203.22295	1.3
217.15921	1.6
221.17427	1.2
379.21265	93.9
380.21674	8.8
423.20236	1.9
511.25552	10.8
512.25769	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31910	0.6
59.85197	0.7
78.95903	71.4
85.52908	0.8
96.96964	14.8
152.99582	62.4
153.99863	0.7
223.00154	1.5
241.01192	30.6
255.23288	75.6
256.23642	3.5
315.04834	7.5
391.22485	5.4
544.55701	0.9
544.64258	0.9
571.28857	100.0
572.29205	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	570.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.6
61.98830	100.0
69.26508	0.5
69.26917	1.6
71.01389	1.0
73.02962	0.3
78.95908	0.3
83.01363	0.3
85.02959	0.3
93.03461	0.9
95.01405	0.4
96.96009	0.5
98.19885	0.4
101.02489	0.5
107.01402	0.6
111.00847	0.3
113.02490	0.3
123.00883	1.5
125.02451	3.5
126.02803	0.7
136.98854	0.3
137.02402	1.4
139.00383	0.5
140.01196	0.3
143.04651	0.4
151.00401	0.9
151.04135	0.3
168.00601	0.5
169.01425	3.2
170.01709	0.6
195.93178	0.2
203.35204	0.3
211.02492	0.4
211.13580	0.3
211.16124	0.2
232.92360	0.3
238.66710	0.3
271.04755	0.3
343.69717	0.2
407.24631	0.5
408.25000	1.1
409.25986	0.6
433.07822	0.3
454.16959	0.2
473.06906	0.4
528.25983	0.7
529.26123	0.3
570.26306	7.7
571.26935	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12002	2.3
61.98827	5.2
64.02729	2.4
71.42263	4.4
76.07533	2.0
81.53651	2.1
89.40670	2.6
92.67478	2.2
97.14114	2.4
108.02174	68.0
109.03014	12.1
110.03313	2.3
152.01155	62.2
153.01930	24.2
160.36957	2.0
225.40520	2.2
228.43665	2.2
285.06171	100.0
286.06393	7.7
376.82019	2.8
480.18643	2.5
528.02936	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	571.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
57.03452	1.3
58.00590	1.9
59.01380	100.0
61.98823	12.2
64.08260	1.0
66.02383	1.0
69.96561	3.4
71.01381	50.8
72.99299	3.0
73.02943	4.9
78.71136	1.1
79.76226	1.1
83.01387	4.5
85.02963	12.1
87.00868	4.0
89.02444	68.4
95.01381	1.8
99.00884	3.4
101.02442	36.3
101.03111	1.8
113.02449	20.5
119.02664	1.7
119.03500	28.5
125.02456	2.3
125.98687	1.1
131.03505	39.0
132.03780	1.0
143.03491	5.9
149.04564	9.2
161.04553	9.2
169.01402	1.4
179.05620	17.1
191.05595	5.5
379.16388	2.2
379.21228	34.4
380.21686	2.1
511.25354	8.3
552.86542	1.4
571.26904	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	569.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37064	0.9
65.00296	1.3
71.50212	0.9
71.50664	1.4
77.09293	0.7
80.96516	4.8
93.03481	1.4
95.01381	3.1
97.02940	2.2
97.27951	0.9
98.00087	1.7
105.45802	1.1
108.02178	1.6
109.02959	2.2
111.00892	1.2
121.02930	1.7
122.03698	1.2
123.00903	1.8
124.01675	5.2
124.02428	1.0
124.28146	0.9
125.02425	2.6
136.01677	2.2
137.02426	4.4
138.03220	3.8
138.04224	1.2
147.15218	1.0
149.02409	1.5
150.03302	1.1
151.03946	2.8
153.01933	3.5
159.04459	1.0
165.99084	1.1
167.03445	5.0
169.04974	0.9
174.03096	1.2
176.00949	1.3
181.01414	4.1
187.03987	1.9
188.04738	1.3
202.77211	1.1
203.03549	1.4
207.02925	2.1
211.02466	2.6
213.04050	2.5
214.02563	1.1
229.01758	1.2
235.02530	1.2
327.23300	3.1
343.22729	3.9
355.22778	16.3
356.23129	2.3
357.20218	1.6
357.24326	23.1
358.24496	2.9
369.24213	3.0
383.22363	1.8
389.24573	1.3
395.22308	1.3
405.24078	1.4
406.25024	1.2
433.23810	2.7
449.23108	4.4
461.23254	2.8
465.26468	2.5
477.22623	1.2
481.26151	1.7
493.25952	3.3
509.25134	2.9
537.24805	9.5
541.27789	3.6
569.27539	100.0
570.27820	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	569.2756
Annotation	Swietenin E
Peak:m/z	Relative Intensity
50.08625	0.8
61.98805	0.6
65.00317	1.6
70.56110	1.8
81.03448	1.5
83.01390	0.8
93.03434	1.0
93.65866	0.7
95.01364	3.2
97.02948	1.7
98.00098	1.8
109.02946	2.7
111.00850	1.5
117.01929	1.0
121.02947	2.2
122.03681	1.1
122.79807	0.7
123.00862	3.2
124.01671	6.4
125.02415	2.8
136.01645	2.2
137.02472	4.2
137.07368	0.8
138.03241	3.9
145.02878	1.5
148.01749	1.1
149.02409	1.8
150.03203	1.9
151.00368	1.3
151.03970	2.1
153.01923	6.2
157.05037	1.1
159.04500	1.2
163.00380	0.9
163.03960	0.9
165.99147	1.3
167.03477	4.5
173.02382	1.0
173.06007	1.0
175.00302	0.8
176.01176	1.0
181.01410	4.9
183.02910	1.4
186.03195	0.9
187.03992	2.3
189.01935	1.7
200.67317	0.8
201.05528	0.8
203.03506	1.0
204.04199	0.8
211.02402	2.4
213.04013	3.3
229.01794	1.3
230.02138	1.1
276.10825	0.8
310.57004	0.8
318.70609	0.7
327.23169	3.0
332.22934	0.7
343.22827	5.1
355.22729	19.1
356.23172	2.4
357.24347	20.3
357.28741	0.8
358.24637	1.9
369.24335	2.9
377.24844	1.6
383.22232	2.2
385.23529	0.8
389.25015	1.5
393.24045	0.9
395.22012	1.7
401.23114	1.6
405.24075	2.2
421.23547	1.0
433.23740	3.7
437.27066	0.8
449.23248	3.4
451.25604	0.8
461.23270	2.8
465.26300	3.1
467.24524	2.5
477.22693	2.2
481.26389	1.1
493.25882	3.5
509.25351	4.5
537.25031	13.8
538.25421	2.2
541.28009	2.8
569.27502	100.0
570.27930	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	569.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	6.4
61.98829	8.4
65.00319	0.4
67.01886	1.0
68.84813	0.3
69.03468	0.6
71.01379	3.5
71.52576	0.6
72.99306	1.0
73.02946	0.7
75.00876	0.4
76.77747	0.3
79.01892	1.2
80.31300	0.4
83.01381	1.2
85.02945	1.5
88.98807	0.4
89.02438	1.8
95.01388	2.4
95.05051	0.4
96.95998	0.3
97.02968	0.8
101.02448	2.4
107.01398	4.8
108.02185	0.7
109.02916	0.5
110.00086	0.4
111.00871	3.4
113.02474	1.4
119.03481	0.5
122.03788	0.6
123.00892	15.5
123.04565	0.6
124.01649	1.6
125.02446	18.8
126.02759	0.4
127.00365	0.9
136.98827	1.9
137.02483	0.9
139.00386	5.5
139.04060	0.4
140.01167	4.6
141.01959	1.8
151.00365	9.0
152.00670	0.6
152.99551	0.4
153.01915	0.8
153.05551	1.0
161.02451	0.3
167.03400	0.4
168.00668	4.7
169.01422	25.6
170.01797	1.0
177.04013	0.8
193.05025	0.5
197.04597	0.5
201.37079	0.4
211.02473	8.6
259.03012	0.4
271.04584	6.2
272.04938	0.7
291.19809	0.5
307.19208	1.0
313.05603	1.2
329.05069	0.6
337.19162	0.4
377.25470	1.1
389.23135	0.7
407.24512	8.6
408.24738	0.8
472.06226	0.5
525.20203	0.4
551.21515	0.4
569.26013	100.0
570.26392	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	569.224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.9
59.01121	0.9
59.01381	15.4
61.98829	18.8
67.01883	1.0
69.03435	1.7
69.19410	4.2
69.19835	2.9
71.01022	0.8
71.01382	9.4
72.99275	1.1
73.02950	10.2
79.01872	3.1
83.01392	6.7
85.02912	3.2
87.00789	0.7
87.04476	1.2
89.02430	2.9
95.01374	4.1
97.02957	1.1
99.00824	0.8
101.02466	5.5
107.00754	0.8
107.01393	10.7
108.02163	0.7
109.02956	1.3
111.00832	2.9
113.02444	3.6
120.99644	0.9
123.00029	1.6
123.00884	29.0
124.01670	1.5
125.02451	40.8
126.02749	2.4
127.00333	0.9
135.21492	0.6
136.98779	1.2
137.02409	1.6
138.99469	0.7
139.00374	7.9
140.01097	2.2
141.01952	3.6
150.99245	1.5
151.00377	21.8
151.03958	0.8
152.00763	1.0
153.01895	2.2
165.01886	1.4
166.99773	0.9
167.03395	1.4
168.00641	6.4
169.01419	84.0
170.01692	2.3
177.03958	1.1
179.03516	1.0
182.02176	1.1
183.02924	1.3
193.01317	2.1
211.02466	13.6
212.02788	0.9
213.14722	0.6
223.02354	1.0
236.64713	0.7
237.14943	1.1
242.95351	0.7
253.03476	1.8
255.15933	3.2
271.04477	3.5
285.03821	1.8
286.04181	1.0
297.17001	1.4
313.05652	6.0
314.67761	0.7
331.06750	1.4
341.11307	0.8
371.24258	0.9
373.07718	11.3
374.08011	0.8
403.04468	1.3
407.24091	2.0
417.21030	2.7
509.20224	1.2
525.19470	2.3
551.13202	1.0
551.21338	16.0
552.21429	1.7
554.12823	0.9
569.22192	100.0
570.22491	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	569.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01017	0.5
52.74315	0.5
59.01383	8.8
59.01647	0.7
61.98852	0.8
66.68559	0.7
69.32222	5.1
71.01385	5.5
72.99313	1.0
79.01955	0.7
83.01408	1.1
85.02959	1.0
89.02435	4.2
101.02475	2.6
103.41584	0.6
107.01374	4.2
111.00891	2.2
113.02473	1.3
119.03548	2.3
123.00898	3.1
124.01714	2.7
125.02455	25.9
127.00395	0.9
136.98880	1.3
139.00397	2.8
139.04047	0.9
140.01152	4.2
151.00433	0.9
152.01115	0.8
165.02020	0.9
167.03592	1.2
168.00647	14.4
169.01424	35.4
179.05630	0.8
183.03087	0.8
191.62598	0.6
211.02481	67.4
212.02818	1.4
228.04056	0.7
237.15001	3.5
241.03587	1.4
255.02924	0.9
271.04587	100.0
272.04919	4.7
284.03067	0.9
285.03726	1.3
286.04123	0.8
331.06720	24.0
332.07111	0.8
366.55655	0.7
417.21210	1.6
460.92764	0.8
569.12360	2.5
569.22278	35.7
570.22589	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	569.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.5
61.98826	9.3
65.00318	1.0
69.19404	6.1
69.19830	2.5
71.01381	11.8
72.99282	1.4
73.02928	1.3
83.01354	2.4
85.02906	3.7
89.02464	5.2
93.03401	1.1
95.01350	1.9
101.02391	3.1
102.09013	0.8
106.05000	0.9
107.01363	1.4
108.02142	1.6
109.02900	1.2
110.00008	1.1
111.00900	4.8
113.02371	4.0
117.03432	1.3
119.03439	3.0
119.04951	1.3
121.02936	1.8
123.00908	9.1
124.01669	2.7
125.02461	16.2
126.02730	1.3
127.00298	3.0
127.95435	0.9
135.04529	1.1
136.98721	3.6
137.02393	2.4
138.03177	1.1
139.00380	7.7
140.01157	11.2
145.02974	7.4
151.00385	7.3
151.03946	1.2
163.03912	1.3
166.99815	1.7
168.00633	15.3
169.01433	19.3
181.01352	3.9
195.02852	2.8
211.02370	1.5
235.72537	0.9
237.14790	2.1
271.04510	1.3
274.54257	1.0
275.09119	1.3
290.08701	1.0
290.11575	14.2
345.13034	1.4
345.17001	24.5
346.17313	2.0
347.14493	1.4
371.10294	1.1
371.14972	12.6
389.16037	100.0
390.16370	9.4
398.23193	0.9
407.16913	2.9
407.24319	9.7
525.19257	2.8
533.22510	4.6
533.29456	3.6
569.23181	37.0
569.36591	1.7
570.23065	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	569.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83587	0.6
59.01391	3.9
60.52862	0.6
61.98819	1.8
67.01881	0.8
69.03425	0.8
71.01363	3.0
72.99306	0.7
74.23894	0.7
77.65360	0.7
83.01387	1.5
85.02954	2.3
85.06915	0.6
86.00147	0.6
89.02438	1.4
95.01402	1.6
96.32837	0.6
97.02929	0.9
99.92561	0.7
101.02451	3.5
103.35873	0.7
107.01383	2.8
110.00127	0.6
111.00864	2.5
113.02439	1.3
116.92872	12.2
119.03449	0.8
123.00906	8.6
124.01668	1.8
125.02455	20.6
127.00401	1.5
136.98820	1.3
137.02432	0.9
139.00388	5.7
140.01135	2.7
141.01923	1.3
149.99532	0.9
151.00377	8.1
161.04620	0.8
168.00645	5.7
169.01433	19.4
170.01741	1.0
211.02463	0.8
219.36786	0.6
255.08699	3.3
271.04562	1.4
289.12131	0.7
313.00583	0.7
313.05637	1.8
417.14044	100.0
418.14426	7.9
506.13687	1.0
569.15161	55.8
569.22607	2.1
570.15393	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	569.1894
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
59.01382	4.9
61.98836	1.0
68.28932	0.6
71.01389	4.5
71.50322	0.8
72.99306	1.9
73.02940	1.2
75.00883	4.3
83.01392	1.0
85.01021	4.1
85.02944	2.2
87.00870	0.9
88.98804	2.6
89.02448	2.6
96.96028	2.3
99.00890	1.5
99.08167	0.9
101.02467	3.2
103.00380	2.8
112.98818	4.9
113.01746	0.8
113.02390	3.1
115.00384	0.7
115.02101	1.0
117.01967	1.2
123.00938	0.7
124.98748	0.7
125.02444	2.4
129.01921	1.0
143.05176	2.7
145.00269	0.8
145.01437	11.2
145.03119	1.0
157.01442	1.8
157.03111	1.2
161.44910	0.7
169.01459	1.7
187.07845	1.5
201.05559	1.0
245.04523	0.7
263.05649	1.0
271.46576	0.6
273.00537	0.7
300.99634	1.0
331.11984	1.0
333.06403	2.4
349.13123	12.0
363.14886	1.6
391.14175	1.4
421.11356	1.2
537.16400	1.2
541.49786	0.8
569.18939	100.0
570.19165	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	568.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65345	0.2
59.01379	1.8
61.98829	100.0
63.99267	0.7
65.00317	0.3
65.96163	0.2
67.01902	0.3
71.01391	1.2
71.52139	0.4
73.02962	0.3
85.02949	0.5
93.03495	0.4
95.01387	0.3
95.39574	0.2
101.02446	0.7
102.02799	0.3
107.01421	0.5
108.02170	0.5
113.02455	0.5
118.93645	0.2
123.00883	0.6
124.00092	0.2
125.02448	2.8
131.03549	0.3
132.43256	0.2
137.02461	0.6
139.00432	0.4
140.01163	0.2
151.00320	1.4
152.01193	0.4
153.01990	0.6
161.04579	0.3
168.00632	0.4
169.01389	1.7
170.01691	0.6
178.99829	0.4
179.03494	0.3
188.39537	0.2
194.81500	0.3
259.06128	1.4
269.04520	2.5
287.05515	0.5
373.22659	0.3
374.22586	0.7
375.22995	0.6
376.23386	0.8
407.24448	0.5
470.41989	0.3
507.27341	0.3
508.27594	0.4
551.13007	0.3
568.25305	2.8
569.13190	1.2
569.22968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98829	100.0
62.98533	0.3
63.46880	0.2
79.62689	0.2
80.89448	0.2
87.04517	1.1
89.02480	0.2
95.01363	0.2
96.96046	0.3
98.19852	0.4
107.01457	0.2
108.33852	0.2
114.48033	0.2
123.00912	0.2
124.37056	0.2
125.02481	0.8
151.00410	0.2
155.10905	0.2
169.01404	0.7
180.26250	0.2
232.51550	0.2
242.08717	0.2
255.06660	0.2
284.68381	0.2
305.76068	0.2
313.05688	0.3
324.99783	0.2
382.37497	0.2
406.22772	0.3
407.24377	0.2
568.24469	1.1
569.12878	0.5
569.26276	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26588	0.2
51.92841	0.2
54.90534	0.2
58.56982	0.2
59.01387	1.8
61.98833	100.0
62.14754	0.2
63.44650	0.2
69.26308	1.3
69.26717	0.4
69.38383	0.2
71.01382	1.3
73.02957	0.5
83.01405	0.4
85.02969	0.5
86.09602	0.2
89.02488	0.6
100.22076	0.2
101.02440	1.3
107.80801	0.2
111.00892	0.4
113.02468	0.4
119.03501	0.2
123.00864	0.3
125.02458	0.6
137.02489	0.3
155.10840	0.6
161.04596	0.5
168.00647	0.3
169.01443	0.7
221.02936	0.2
275.16565	0.2
286.04294	0.2
370.27759	0.2
406.23645	0.3
407.24521	0.7
435.29816	0.5
436.29996	2.1
568.24811	2.1
568.32782	0.2
569.30255	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09127	0.1
59.01380	0.6
61.88084	0.1
61.98832	100.0
69.31179	0.6
69.31602	0.8
69.33593	0.2
71.01390	0.7
83.76662	0.1
85.68916	0.1
89.02464	0.4
98.20662	0.3
101.02491	0.3
108.02177	0.2
111.97245	0.2
125.02446	0.4
127.45339	0.2
131.03490	0.2
152.01173	0.2
153.01924	0.2
169.01448	0.3
180.85007	0.2
193.68323	0.2
211.13454	0.5
212.13751	0.5
257.60309	0.2
280.02036	0.2
365.61987	0.2
367.02188	0.2
376.24408	0.3
407.24741	0.3
568.24622	0.3
569.24261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65345	0.2
59.01379	1.8
61.98829	100.0
63.99267	0.7
65.00317	0.3
65.96163	0.2
67.01902	0.3
71.01391	1.2
71.52139	0.4
73.02962	0.3
85.02949	0.5
93.03495	0.4
95.01387	0.3
95.39574	0.2
101.02446	0.7
102.02799	0.3
107.01421	0.5
108.02170	0.5
113.02455	0.5
118.93645	0.2
123.00883	0.6
124.00092	0.2
125.02448	2.8
131.03549	0.3
132.43256	0.2
137.02461	0.6
139.00432	0.4
140.01163	0.2
151.00320	1.4
152.01193	0.4
153.01990	0.6
161.04579	0.3
168.00632	0.4
169.01389	1.7
170.01691	0.6
178.99829	0.4
179.03494	0.3
188.39537	0.2
194.81500	0.3
259.06128	1.4
269.04520	2.5
287.05515	0.5
373.22659	0.3
374.22586	0.7
375.22995	0.6
376.23386	0.8
407.24448	0.5
470.41989	0.3
507.27341	0.3
508.27594	0.4
551.13007	0.3
568.25305	2.8
569.13190	1.2
569.22968	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16710	0.3
51.44242	0.3
57.03421	0.5
58.39469	0.3
59.01381	6.0
61.25721	0.4
61.98825	5.6
65.00316	0.7
67.01891	1.3
68.99812	0.5
69.03451	0.7
69.80785	0.4
71.01387	5.0
71.51737	0.8
72.99323	0.9
73.02949	1.4
75.00892	0.5
79.01895	0.9
82.95451	1.0
83.01392	1.6
85.02935	2.2
87.00859	0.5
89.02424	2.1
91.01894	0.6
95.01383	1.9
95.64192	0.4
96.96027	1.2
97.02933	0.9
97.06642	0.5
99.00857	0.5
101.02446	3.1
102.18623	0.4
107.01382	4.5
108.02208	2.7
109.02948	1.2
111.00890	3.6
113.02458	1.9
115.56930	0.4
120.99685	2.0
121.02996	0.6
123.00880	14.8
123.04517	1.3
124.01720	2.2
125.02443	21.3
126.02834	0.6
127.00375	1.2
135.00882	1.0
136.98778	2.1
137.02458	1.3
139.00371	6.7
140.01155	4.6
141.01926	1.7
151.00381	9.8
151.04050	0.6
152.01180	2.0
153.01907	1.8
153.05499	0.5
163.04018	0.7
165.01920	0.6
165.09137	0.4
166.99850	0.6
167.03462	0.5
168.00641	6.1
169.01424	28.2
170.01846	0.9
177.04089	2.5
182.06351	0.4
211.02460	5.5
212.13644	0.5
223.02357	0.5
243.06602	6.0
253.05255	0.7
271.04559	4.0
274.96616	0.5
305.06671	0.5
313.05765	1.7
329.05139	0.8
343.19037	0.6
363.68945	0.4
387.18222	1.2
405.11810	1.7
405.23022	2.5
415.20145	0.8
422.99167	0.5
507.28275	3.1
567.24567	100.0
568.24896	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	567.2995
Annotation	Scutianine L
Peak:m/z	Relative Intensity
55.53558	0.4
55.91074	0.4
55.97665	0.4
59.01387	0.6
61.98824	1.2
71.50069	0.5
79.95721	4.0
80.96487	0.6
96.96008	66.4
98.95603	0.6
99.45557	0.5
242.29866	0.4
255.59720	0.4
353.14307	7.2
371.11658	1.2
507.24347	1.8
509.22485	0.5
523.27344	5.4
524.27869	0.6
567.29889	100.0
568.30267	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	567.2997
Annotation	Scutianine L
Peak:m/z	Relative Intensity
52.12083	0.3
65.71500	0.3
69.98901	1.5
79.95731	3.5
83.16512	0.4
96.96012	70.2
98.19987	0.5
134.02841	0.3
154.37427	0.3
162.90295	0.3
233.05026	0.3
238.30336	0.3
273.08075	0.6
353.14264	6.8
354.14468	0.7
371.11761	1.7
411.14801	0.9
507.24307	1.5
523.27380	5.7
524.27844	0.4
567.29950	100.0
568.30286	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	567.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.3
68.33466	0.2
71.01353	0.2
72.99323	0.4
78.59726	0.2
79.95727	3.6
90.57720	0.3
96.96008	100.0
98.95565	0.3
101.50023	0.3
110.50874	0.3
134.40437	0.2
290.62576	0.3
353.14215	3.8
354.14761	0.3
366.43350	0.3
371.11664	0.5
411.14661	0.2
507.24301	0.8
520.22949	0.3
523.27246	2.4
524.27197	0.3
567.29919	87.0
568.30273	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	568.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34965	0.7
54.98148	0.8
59.01366	1.8
60.23169	0.8
61.98821	2.1
63.42973	0.7
65.67190	0.7
71.01405	1.5
71.51167	0.7
71.51589	0.9
72.00909	2.2
79.95732	9.2
80.96520	1.8
85.02946	1.3
89.02444	1.5
93.03447	2.5
93.10181	0.7
96.96004	10.8
100.00399	11.1
107.05014	2.6
116.92851	1.3
117.03467	2.7
119.05030	63.1
120.05360	1.8
125.02422	2.2
132.05801	1.2
133.05412	0.7
133.06580	1.9
134.06122	14.4
135.04507	0.8
136.07697	1.6
143.95352	0.8
145.02960	29.3
146.06175	3.6
147.04546	0.7
162.05609	4.0
163.04010	20.1
169.01387	2.3
174.05597	2.2
175.04071	0.8
176.07106	2.7
180.06688	1.9
206.04575	39.6
207.04892	1.6
214.01810	4.8
239.10794	0.9
241.00203	2.2
273.00192	0.9
282.11365	23.5
283.11713	2.3
326.10321	8.3
360.11823	1.5
362.07245	2.5
391.13821	1.2
405.15598	2.0
406.06042	12.2
406.15866	1.8
407.06009	1.1
417.10254	1.5
488.15619	8.1
524.12140	1.5
568.11298	100.0
569.11536	9.4
569.19165	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	567.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59437	0.6
57.03446	0.7
57.92792	0.6
58.00585	0.8
59.01382	15.1
61.98843	1.2
64.97417	0.4
68.80872	0.4
69.03447	0.6
70.25898	0.9
70.26293	1.3
71.01382	8.7
72.07384	0.4
72.99305	1.2
73.02950	5.2
77.01348	0.5
78.55106	0.5
80.12651	0.4
83.01385	1.6
85.02946	4.4
87.00864	1.1
89.02453	7.9
95.01374	2.2
95.05015	1.8
97.02975	0.5
99.00895	0.6
99.04504	1.8
101.02436	5.6
107.01377	3.0
109.06583	0.7
111.00889	2.8
113.02454	5.4
116.92831	1.3
119.03517	2.5
120.05732	0.6
120.20364	0.5
123.00899	5.3
123.04461	1.2
124.01693	1.1
125.02451	13.0
127.00356	0.9
132.42036	0.5
136.98802	2.5
137.02431	0.8
137.06148	0.7
139.00391	3.6
139.11328	0.7
140.01169	4.3
141.01956	0.6
143.03502	1.0
147.08145	0.7
151.00371	4.4
153.01814	0.6
160.21356	0.5
161.04575	1.9
163.11290	5.9
168.00629	7.9
169.01427	13.5
179.05731	1.4
181.12347	24.1
182.12721	0.6
191.07141	1.3
207.10255	3.2
209.11661	0.6
211.02501	2.8
225.11316	100.0
226.11679	4.7
230.26619	0.6
235.06172	1.0
249.11249	2.2
267.12415	2.9
271.04590	2.2
272.04584	0.5
311.10580	0.8
387.16589	17.4
388.16974	1.7
402.88498	0.5
405.17642	35.0
406.18118	2.9
415.12451	35.9
416.12762	2.7
487.14404	0.8
549.16241	0.7
567.13593	27.7
567.24060	12.3
568.13977	3.9
568.24152	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	567.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	1.5
59.01385	24.2
59.46030	0.8
60.99306	0.9
61.98828	1.7
69.14683	8.6
69.30917	0.9
71.01382	16.6
72.99318	1.5
73.02948	5.6
83.01389	1.4
85.02953	4.4
86.53197	0.7
87.00880	1.7
87.04496	1.0
88.98807	6.4
89.02444	15.4
95.01385	2.1
95.05041	1.4
96.96024	1.1
97.02951	0.9
97.29579	0.7
99.00896	0.9
99.04513	1.3
101.02445	7.1
105.08820	0.7
107.01378	3.0
107.05033	0.8
108.02234	1.0
109.02941	1.1
111.00838	1.1
113.02464	5.6
119.03531	3.8
123.00893	3.2
124.01656	0.9
125.02444	13.2
131.03548	1.1
136.98901	0.8
139.00349	2.0
140.01140	2.9
145.02815	0.8
146.01498	0.9
146.03748	0.8
148.01724	1.2
149.02490	0.9
150.03233	3.0
151.00380	1.4
161.04607	1.4
163.11324	4.7
165.05547	3.9
168.00684	3.6
169.01428	16.4
179.03386	0.8
179.05571	1.0
181.12334	25.3
191.05661	0.9
195.06595	2.6
205.12306	0.9
207.10295	1.8
208.54608	0.7
211.02472	2.8
225.11313	100.0
226.11694	4.5
243.12321	2.2
249.11276	2.3
267.12415	2.9
271.04587	3.6
282.39398	0.9
300.99939	6.4
305.02866	1.1
310.38678	0.8
313.05521	1.0
357.13440	1.7
387.16568	8.9
400.36023	0.9
405.17639	70.0
406.18027	4.7
415.12372	10.5
469.05603	0.9
567.12830	7.8
567.23663	8.3
567.30505	1.8
568.14203	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	567.2442
Annotation	Fischeroside C
Peak:m/z	Relative Intensity
59.01381	3.0
59.94080	0.4
61.98825	0.5
65.00330	0.6
67.01884	1.0
69.03468	0.4
69.23465	2.6
69.23878	0.8
71.01374	3.0
72.99300	0.7
73.02947	0.5
79.01902	1.1
83.01384	0.8
85.02942	1.4
88.98777	0.6
89.02431	1.1
95.01373	2.0
97.02940	0.7
101.02450	1.6
105.86587	0.4
107.01395	4.8
110.00080	0.5
111.00893	3.0
113.02396	0.9
119.93399	0.4
120.56934	0.4
123.00885	13.0
124.01663	1.9
125.02444	17.3
127.00377	1.1
128.57687	0.4
136.98788	1.8
137.02396	0.5
139.00351	5.4
140.01166	5.1
141.01965	1.0
145.02940	0.7
151.00365	7.8
153.01967	1.0
168.00633	7.4
169.01419	23.3
170.01869	0.5
177.04050	2.1
208.48018	0.4
211.02434	4.4
270.03839	0.4
271.04556	2.3
313.05563	0.6
329.05127	0.9
468.10208	0.4
471.84915	0.5
477.10202	0.7
485.16266	0.8
495.18695	3.1
549.23096	0.7
567.24445	100.0
568.24780	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	567.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	4.3
69.25044	11.3
69.25442	2.9
71.01370	5.0
72.99307	1.9
73.02952	1.2
75.12616	1.2
77.69662	1.2
83.01405	2.3
85.02968	1.9
87.00866	2.5
89.02430	1.7
95.01336	1.5
101.02462	2.6
101.06003	1.4
103.16171	1.2
107.01363	5.2
110.00121	1.9
111.00903	8.7
113.02468	2.5
115.10896	1.3
119.03527	1.4
123.00872	10.8
124.01668	4.7
125.02454	22.4
126.63483	1.6
127.00336	2.5
136.98827	5.1
139.00385	7.8
140.01161	9.2
151.00320	8.2
163.04062	1.8
165.05684	1.5
168.00609	20.0
169.01425	31.5
177.03969	1.9
211.02466	4.3
243.12390	2.5
271.04547	2.8
282.55255	1.3
284.88617	1.4
329.05133	2.3
405.17682	3.1
415.12460	100.0
416.12784	7.0
491.41229	1.4
567.13531	79.6
567.22327	4.6
568.13660	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	567.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16644	0.6
59.01383	8.7
59.99239	0.6
61.98832	1.5
67.01902	0.8
68.99841	0.7
71.01392	6.8
73.02953	1.3
79.01873	0.8
83.01389	1.0
85.02946	1.8
89.02448	5.2
95.01395	2.3
96.95949	0.8
98.20693	1.3
101.02461	3.0
101.06054	0.8
107.01403	5.7
108.02173	2.4
109.02959	1.5
110.00052	0.8
111.00848	2.3
113.02448	2.7
116.92844	0.8
119.03513	1.5
119.05035	1.0
122.03663	0.6
123.00887	12.7
124.01717	1.3
125.01530	1.1
125.02451	21.6
127.00407	1.1
136.98747	1.4
137.06097	1.7
139.00403	4.1
140.01196	3.0
141.01909	1.8
145.02937	0.8
151.00365	8.8
161.04552	0.6
163.03963	0.7
165.01924	0.7
168.00639	3.2
169.01427	30.2
170.01736	1.1
175.07623	2.2
177.04041	1.2
180.04227	0.6
181.12344	1.2
191.10782	6.4
192.07849	1.3
193.08681	8.1
211.02509	3.0
225.07910	0.7
225.11328	5.6
235.09688	1.3
253.10770	3.4
271.04703	3.0
300.99899	0.8
311.10443	0.9
313.05707	3.8
359.11414	0.7
387.16449	0.6
397.11234	0.8
405.17822	6.7
406.06201	1.5
415.12390	100.0
416.12735	7.9
442.51370	0.6
507.15363	3.3
540.43878	0.6
549.15594	1.8
567.17352	20.8
567.31348	1.4
568.17218	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	567.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41963	1.5
55.47718	2.0
58.00588	3.2
59.01381	89.6
61.98803	2.3
71.01384	42.5
71.51096	2.3
72.99285	1.8
75.21136	1.4
76.61456	1.6
83.01385	3.2
84.52939	1.7
85.02956	8.9
87.00874	2.6
88.98797	2.7
89.02444	70.8
95.01387	2.5
96.96004	25.0
98.95558	1.7
101.02448	18.1
106.12045	1.8
113.02446	21.1
116.92876	3.0
119.03509	29.4
125.02454	3.6
131.03488	3.7
143.03479	8.6
149.04535	2.4
161.04582	10.2
169.01385	2.9
179.05611	100.0
202.38368	1.7
219.07784	1.8
245.04614	1.6
277.48227	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	567.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
57.03443	1.0
58.00591	1.3
59.01107	1.5
59.01384	17.6
61.98839	7.7
65.00289	1.0
67.01894	2.2
67.77886	1.1
69.03457	1.6
71.01392	11.1
71.52666	1.8
72.99319	2.4
73.02935	3.8
79.01892	2.3
79.62157	0.8
81.03448	1.3
83.01391	3.9
85.02936	5.6
87.00864	1.7
87.04465	0.9
89.02455	4.8
93.03444	0.9
95.01406	5.0
97.02983	1.9
99.00896	1.8
99.04538	0.9
101.02447	6.6
107.01396	10.5
108.02172	3.3
109.02944	4.2
109.06574	2.6
111.00903	5.5
113.02475	3.2
121.02953	1.7
122.03763	6.7
123.00005	1.6
123.00900	31.0
123.04547	11.8
124.01636	3.5
125.02462	48.6
127.00342	2.1
132.04581	1.5
136.98801	3.6
137.02451	4.7
137.06088	2.4
139.00389	12.0
140.01181	8.6
141.01921	2.4
145.02921	1.3
146.60849	0.9
149.06059	1.2
151.00388	23.1
152.01172	1.6
153.01897	3.3
154.99872	1.1
161.04625	1.2
166.99883	1.5
167.03450	1.8
168.00658	16.3
169.01443	66.6
170.01744	1.8
175.83504	1.1
177.03996	2.1
179.03545	1.5
182.02290	1.3
183.02986	1.1
193.01556	1.7
211.02483	24.0
227.03458	2.5
229.05154	1.3
237.14793	1.1
253.03612	2.1
255.02954	3.2
267.08685	2.6
271.04599	28.4
272.04880	1.6
284.03418	4.8
285.04059	12.6
313.05685	2.6
331.06613	3.6
387.14572	2.0
397.18619	1.5
405.22705	3.5
415.20123	1.4
505.20770	4.7
521.32819	1.1
523.18109	2.2
549.19781	9.8
567.24866	100.0
568.23816	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	567.1145
Annotation	2''-O-p-Hydroxybenzoylorientin
Peak:m/z	Relative Intensity
50.78533	0.5
51.86623	0.4
54.88941	0.4
54.99526	0.4
59.01394	1.3
61.98819	0.5
65.00328	0.9
80.80408	0.4
80.91083	0.4
83.01405	1.6
85.00817	0.4
85.02943	0.5
93.03461	5.9
95.01390	0.7
98.20691	0.6
101.02450	0.7
107.01398	3.5
108.02169	0.7
111.00900	1.1
113.02472	0.6
117.03495	0.5
123.00885	3.5
124.01738	0.6
125.02461	7.1
127.00275	0.4
127.78410	0.4
132.02174	1.0
135.00917	1.9
137.02451	7.0
139.00392	2.1
140.01158	1.9
143.05023	0.7
151.00385	7.6
158.64992	0.6
159.04546	1.1
162.05457	0.5
163.00397	2.0
164.01135	0.7
167.05077	0.7
168.00589	3.4
169.01422	9.5
169.06610	0.5
171.04532	0.7
174.03349	0.6
183.04529	1.7
185.06091	1.6
187.04019	2.3
189.05450	0.7
199.04048	0.7
200.04890	0.6
211.02342	2.6
211.04181	2.3
212.04817	0.7
213.05530	1.5
213.15100	0.5
227.03500	39.3
228.03871	1.8
229.05034	7.9
239.03448	1.5
240.04259	0.7
241.05089	1.5
255.02986	67.9
256.03644	10.6
257.04565	6.5
271.04642	1.9
281.06696	3.7
283.02560	0.7
284.03259	80.7
285.04019	75.5
286.04395	3.6
328.04803	0.5
387.46014	0.5
447.09396	1.2
491.31970	0.5
567.11371	100.0
567.24493	25.6
568.11737	13.0
568.24670	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	567.1146
Annotation	Perfoliatumin A
Peak:m/z	Relative Intensity
59.01378	4.2
61.43751	0.4
61.98830	36.3
65.00305	1.0
65.03967	0.5
67.01886	0.5
69.20921	1.6
69.21346	2.4
71.01389	3.2
72.99294	0.8
73.02946	1.2
81.66859	0.4
83.01379	2.4
83.05054	0.4
85.02969	1.3
89.02472	1.0
91.01910	0.6
93.03459	26.0
95.01388	0.6
96.96002	1.0
98.20664	0.8
101.02468	2.5
107.01378	4.5
108.02187	0.9
109.02979	1.0
111.00898	1.9
113.02459	1.3
117.03433	0.5
119.03506	0.4
121.02972	0.5
123.00889	3.2
123.04559	0.6
124.01650	0.7
125.02448	6.6
132.02197	1.1
135.00903	1.3
135.04520	1.6
136.98849	1.0
137.02444	43.1
137.09764	0.6
138.02795	0.9
139.00343	2.0
140.01184	2.5
141.01926	0.4
145.03027	0.5
151.00375	6.9
152.07207	0.4
153.01990	0.7
153.05556	1.4
155.10774	4.3
157.06592	1.0
159.04532	1.2
161.02463	1.0
161.04607	0.6
163.00385	2.6
163.04056	0.6
164.01180	1.0
165.01942	0.9
166.09624	0.5
167.03601	0.4
167.05031	0.8
168.00648	2.9
169.01433	8.3
169.02850	0.8
169.06596	0.8
171.04543	0.9
173.02480	0.4
179.03548	1.8
183.04483	1.9
185.02379	0.5
185.06145	2.2
187.03960	2.8
189.05563	1.1
190.99756	0.5
195.04477	0.7
196.05327	0.5
197.04425	0.4
197.06085	0.9
199.03987	1.1
199.09755	3.7
201.05608	1.0
209.08235	0.8
210.08585	0.7
211.02431	1.1
211.04144	3.3
212.04796	0.5
213.05632	1.6
227.03488	44.9
228.03851	2.3
229.05060	9.6
230.05319	0.4
235.13414	0.5
239.03528	1.9
240.04305	0.8
241.05038	1.7
241.10954	0.8
243.02980	0.5
255.02982	70.3
256.03638	9.1
257.04526	8.6
258.04846	0.5
267.02975	1.2
268.65948	0.4
269.04517	0.5
271.04590	1.2
281.06543	0.5
283.02499	3.4
284.03256	71.5
285.04016	100.0
286.04422	5.2
301.12891	1.5
311.05066	0.4
327.05133	0.6
361.15085	1.0
361.19711	0.5
405.23007	3.3
429.08264	14.0
430.08508	0.9
435.29504	0.7
447.09317	9.7
448.09711	0.7
566.24658	0.5
567.11395	54.3
567.24451	23.9
568.11743	5.9
568.24774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01387	2.0
61.62637	0.4
61.98825	1.3
65.00342	1.2
67.57510	0.4
70.18286	0.8
70.18633	1.6
79.89089	0.4
83.01405	1.2
87.55987	0.5
89.02446	0.8
89.15218	0.4
93.03468	5.6
95.01387	0.9
97.02981	0.4
98.20596	0.4
101.02473	1.0
107.01382	3.7
109.02976	0.8
111.00877	0.7
121.02956	0.6
123.00880	3.5
124.01633	0.4
125.02451	5.3
127.00394	0.5
132.02113	0.8
135.00880	1.8
136.98827	0.5
137.02438	8.5
139.00391	1.6
140.01149	1.1
151.00374	7.3
151.03995	0.6
153.01932	0.8
159.04538	0.6
163.00368	1.7
164.85443	0.4
168.00629	1.9
169.01416	8.3
175.04054	0.5
177.04089	0.5
183.04518	1.3
185.02454	0.6
185.06120	0.9
187.04015	1.8
189.05409	0.6
195.04474	0.6
199.04002	0.9
211.02324	3.2
211.04070	1.6
212.04694	1.0
213.05550	0.9
213.14951	1.5
224.52638	0.5
227.03500	40.7
228.03883	2.5
229.05075	4.5
235.90312	0.5
239.03465	1.4
240.04128	0.6
241.04962	0.5
255.02988	74.2
256.03638	11.2
257.04587	3.4
271.04477	3.1
281.06564	1.1
283.02661	0.7
284.03259	97.8
285.03989	33.5
286.04398	1.2
311.01517	0.4
327.04980	0.7
415.12271	1.0
429.08469	0.7
447.09280	1.7
567.11340	100.0
567.24408	25.9
568.11774	12.0
568.24561	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	566.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54520	0.2
59.01382	0.9
61.98830	100.0
71.01389	0.5
71.51634	0.2
71.51986	0.2
85.02997	0.2
87.00864	0.2
88.74744	0.1
89.02446	0.4
99.36423	0.1
101.02425	0.4
123.00893	0.4
125.02469	0.7
136.98741	0.2
139.00395	0.3
151.00410	0.2
155.10829	0.3
160.95392	0.2
168.00687	0.6
169.01360	0.9
193.77559	0.1
199.09839	0.3
214.04692	0.2
271.04648	0.2
280.03293	0.1
337.61542	0.2
345.13223	0.2
387.18188	0.3
405.22824	0.2
427.82297	0.2
441.46442	0.2
506.34100	0.4
566.23291	0.5
567.24304	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	567.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	5.1
60.99303	8.2
61.87927	1.2
61.98837	4.2
65.00361	1.1
67.01907	1.1
70.06777	5.3
71.01383	4.2
72.99326	1.7
85.02952	2.0
88.98808	47.7
89.02428	1.6
95.01402	2.1
101.02432	2.8
107.01383	6.1
108.02203	1.2
109.02985	1.6
111.00901	4.0
113.02441	1.9
121.02987	1.5
123.00887	11.8
124.01688	3.1
125.02460	20.3
127.00328	1.5
136.98836	3.2
139.00360	7.5
140.01146	6.9
141.01909	2.2
146.99782	1.0
151.00381	9.3
165.01982	3.6
167.03555	1.0
168.00635	9.7
169.01430	25.0
193.01530	1.2
211.02448	7.4
225.29063	1.0
262.02872	1.1
271.02145	10.7
271.05191	5.2
282.84033	1.1
287.05927	1.3
299.01981	22.5
300.02643	2.9
313.05591	1.9
314.04333	23.6
315.05148	16.1
316.05560	1.7
386.97781	1.2
400.46426	1.4
450.22101	1.3
477.10367	44.3
478.10931	4.9
563.08411	1.2
567.24542	100.0
568.24677	6.3
586.99884	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	566.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
60.88977	0.2
61.98830	100.0
71.01387	1.0
71.51245	0.3
71.51647	0.2
72.01710	0.2
73.02954	0.3
85.02971	0.5
93.03437	0.2
99.00902	0.3
101.02451	0.6
102.02795	0.3
103.08923	0.2
108.02172	0.2
113.02457	0.3
116.92867	0.2
123.00901	0.3
123.04521	0.2
125.02486	0.7
131.03526	0.2
137.02455	0.3
169.01436	0.8
191.10760	0.2
206.58710	0.2
206.77324	0.2
214.11537	0.2
253.10820	0.3
313.05637	0.2
355.67026	0.2
371.20663	0.3
372.21097	0.9
373.21304	0.9
374.21353	1.2
420.01801	0.2
506.26178	0.4
567.17352	0.6
567.25165	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62534	0.2
55.01860	0.4
57.03451	0.5
58.00592	0.3
59.01378	7.3
60.01709	0.6
61.75415	0.2
61.98830	100.0
71.01382	6.9
72.01718	0.8
72.99337	0.3
73.02940	2.3
74.03275	0.4
75.00893	0.4
83.01392	1.3
85.02949	3.2
86.03326	0.3
87.00879	0.4
89.02451	1.7
95.01408	0.5
97.02991	0.3
99.00895	0.8
101.02439	5.7
102.02813	1.0
107.01449	0.3
111.00919	0.4
113.02444	2.8
113.03163	0.2
114.02800	0.7
123.00912	0.5
125.02445	1.6
131.03514	1.8
132.03859	0.5
139.00433	0.3
139.36969	0.3
143.03542	0.3
159.03018	0.6
161.04552	3.2
162.04968	0.7
168.00690	0.4
169.01440	1.9
211.02415	0.2
267.05743	0.2
272.44485	0.2
301.00137	0.3
305.59515	0.2
373.22256	5.6
374.22638	14.0
375.22949	0.9
384.84811	0.2
403.39050	0.2
445.50754	0.3
505.26804	0.7
506.26895	3.9
566.23315	0.6
567.25031	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	565.2839
Annotation	Aristophyll A
Peak:m/z	Relative Intensity
51.05343	0.2
61.98838	0.7
69.28643	2.8
69.92660	0.3
79.95735	12.2
80.96517	4.1
96.96009	65.8
98.20715	0.6
111.19550	0.3
121.65860	0.3
198.13701	0.3
199.02863	0.3
210.99570	0.3
273.08060	1.0
279.23203	0.8
353.14258	13.7
354.14642	0.8
371.11646	2.7
411.14807	0.8
479.20590	0.4
507.19827	0.4
552.98779	0.3
565.28326	100.0
566.28674	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	565.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.7
57.03452	2.9
58.00575	1.7
59.01377	61.6
61.98838	6.7
69.76396	1.3
69.77475	5.5
71.01385	38.3
72.99311	2.5
73.02946	13.1
82.72144	1.1
83.01395	8.0
85.02952	20.6
85.03416	2.2
87.00883	3.4
89.02444	23.1
89.02944	2.0
95.01422	3.3
98.19928	1.5
99.00900	9.6
101.02440	39.0
105.04963	1.2
113.02451	18.6
116.92891	6.7
119.03484	3.3
125.02435	6.6
131.03510	25.2
137.02527	1.2
143.03477	2.5
149.04536	10.9
159.03018	2.8
161.04549	16.0
169.01398	5.0
191.05629	2.7
193.01408	1.6
244.06593	1.2
373.22287	100.0
374.22589	7.2
417.21091	2.9
504.95847	1.5
505.26447	31.4
506.26801	2.5
565.22418	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	565.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.8
59.01381	13.2
61.98837	4.1
69.19424	0.7
69.19796	6.9
71.01384	5.8
73.02925	1.3
77.89420	0.7
83.01369	0.9
83.05015	1.0
83.69523	0.7
85.02937	2.8
85.06598	1.1
88.41213	0.6
89.02447	6.1
95.01369	0.9
96.96014	1.2
99.23257	0.6
100.36995	0.7
101.02451	4.2
106.19019	0.7
107.01397	1.9
108.33024	0.6
111.00885	1.1
113.02424	1.8
123.00107	0.7
123.00881	4.3
125.02438	10.0
131.03487	4.4
135.11766	2.7
136.98819	1.0
137.02396	0.8
139.00351	2.5
140.01093	1.3
149.04604	3.2
151.00337	3.1
152.01147	0.7
153.01888	1.2
167.14368	1.6
168.00618	3.2
169.01424	12.5
189.05498	0.9
191.05598	3.1
203.07051	1.0
204.07957	1.0
211.02481	4.4
211.13387	100.0
212.13704	5.0
245.53133	0.8
254.64854	0.8
271.04584	4.0
293.08533	0.8
299.03763	0.7
301.00180	1.0
347.08740	0.7
385.16870	1.1
521.20740	0.9
535.22253	1.0
547.22235	1.0
565.23010	28.1
566.23248	4.6
580.54993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78790	0.4
55.01899	0.4
57.03435	0.5
58.00587	1.1
59.01380	28.8
61.98835	0.7
66.15259	0.4
69.03461	1.2
69.47978	2.8
71.01384	17.1
71.05011	0.7
72.99319	1.0
73.02927	2.7
80.56575	0.4
81.03430	0.6
83.01391	1.1
83.05030	1.0
85.02939	3.0
85.06576	0.9
89.02447	27.4
95.01408	0.4
96.17307	0.5
97.02957	1.6
99.00871	1.3
99.47510	0.4
101.02449	8.6
113.02460	2.7
119.03503	1.3
123.00895	0.6
125.01543	0.6
125.02453	10.3
129.01900	0.6
131.03505	14.5
135.11806	2.9
139.00397	0.5
143.03537	1.0
149.04558	11.0
151.00333	0.5
161.04576	0.8
167.14424	1.0
169.01416	1.2
191.05632	6.7
202.85376	0.4
211.13388	100.0
212.13744	5.1
228.69536	0.4
233.06647	0.7
237.65182	0.4
275.85614	0.5
283.88528	0.5
293.08780	11.3
294.09116	0.9
505.22867	6.9
506.23230	0.7
565.22894	1.7
590.58734	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01911	0.6
55.53732	0.6
57.03489	1.2
59.01431	7.2
61.98537	0.9
61.98833	17.1
64.70823	0.5
69.16616	3.0
69.17039	2.3
71.01385	4.4
73.03001	1.5
75.00916	1.3
77.04002	1.0
83.01411	1.2
83.05099	0.6
85.03013	1.8
87.00939	0.9
87.04547	0.6
89.02457	2.6
93.03512	0.7
95.01438	1.1
96.96007	0.7
97.02999	0.7
101.02449	3.1
102.37121	0.5
103.00420	0.8
107.01427	0.9
108.02206	1.4
109.02994	1.9
111.00895	0.7
113.02481	1.3
116.92875	1.2
119.03555	0.9
121.02987	0.7
123.00917	2.2
123.04568	1.3
124.01722	0.9
125.02467	7.4
135.11806	1.3
137.02473	1.5
138.03230	56.2
139.00400	1.5
139.03625	1.1
140.01118	1.4
151.00363	0.8
152.01141	1.5
153.05576	100.0
154.05890	2.7
159.08104	1.0
161.04527	1.5
161.09706	3.3
164.01154	1.4
167.66980	0.5
168.00623	2.3
169.01428	8.6
175.03943	0.7
179.03537	3.2
179.10780	3.5
186.43620	0.5
197.04543	6.0
211.02505	3.7
237.59222	0.5
271.02234	0.5
271.04544	4.3
313.05331	0.9
329.23035	0.8
359.09802	11.2
360.09781	0.8
403.21194	0.8
431.25616	1.2
433.27463	1.2
504.55093	0.6
505.32828	2.2
521.20020	4.6
522.19916	0.6
523.32806	0.7
565.18805	20.2
565.32764	1.1
565.34894	0.7
566.20032	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	565.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.5
56.57599	1.0
57.03440	1.4
57.08516	1.0
59.01382	18.8
61.98830	51.5
68.63396	1.1
71.01385	14.1
71.52380	1.7
72.99307	2.6
73.02936	3.5
83.01377	2.6
85.02958	5.8
89.02452	5.0
95.01381	3.8
97.02917	1.8
99.00903	1.4
101.02426	9.6
107.01396	6.0
108.02170	10.0
108.08241	1.2
109.02972	2.6
111.00883	1.6
111.04497	2.6
112.76684	1.0
113.02435	4.6
121.02946	2.5
122.03710	2.5
123.00892	13.4
123.04515	2.9
124.01674	1.8
125.02450	34.3
134.03586	1.2
135.04558	1.7
135.11800	1.8
137.02425	4.3
138.03233	62.3
139.00363	4.9
139.03609	1.0
140.01118	2.5
141.01901	2.3
149.04500	1.3
151.00356	7.3
152.01134	2.4
153.05579	100.0
154.05905	3.6
159.08153	1.6
161.04556	2.2
161.09660	5.9
163.07687	2.9
164.01143	2.5
164.08388	5.0
165.09204	21.0
168.00624	5.0
169.01424	48.6
170.01831	2.4
179.03442	3.7
179.07121	1.4
179.10793	2.9
180.03741	1.1
189.05615	1.2
189.13005	2.1
191.05562	1.7
191.07138	13.3
197.04565	7.9
198.76288	1.0
207.13953	6.3
209.08186	53.1
210.08424	2.2
211.02501	7.6
211.13332	2.3
223.02443	1.3
231.13948	2.0
251.12897	14.0
271.04584	9.7
287.22162	1.3
291.12366	1.2
313.05389	1.1
323.15048	3.4
337.11182	1.9
353.12222	2.0
353.15991	8.3
359.09875	13.0
359.21857	1.1
363.03784	1.5
403.17172	2.3
413.18088	11.2
431.26657	1.7
433.27991	2.2
505.33456	9.0
521.20227	6.3
547.16852	1.8
565.19824	28.9
566.19769	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	564.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.2
55.21675	0.2
56.22699	0.2
58.00601	0.2
59.01381	6.8
60.71980	0.2
61.98830	100.0
68.59863	0.2
69.22475	0.8
69.22894	1.3
71.01384	2.6
73.02940	0.7
73.10547	0.2
79.01910	0.3
83.01380	0.4
84.75673	0.2
85.02941	1.1
87.00896	0.4
89.00407	0.2
89.02463	0.9
95.01393	0.4
96.96000	0.3
101.02434	1.4
108.02163	0.6
109.02995	0.4
111.00900	0.5
111.08140	0.2
113.02444	1.1
116.92906	0.3
120.69234	0.2
123.00900	0.7
123.04563	0.3
124.01720	0.4
125.02447	2.1
131.03477	0.3
137.02397	0.2
138.03242	1.7
139.00345	0.3
140.01189	0.3
143.03523	0.2
143.94485	0.2
151.00365	0.5
152.01161	0.4
153.05588	2.8
154.19456	0.2
161.04610	0.3
168.00697	0.7
169.01422	2.4
170.01720	0.3
201.14992	0.2
205.44839	0.2
208.99551	0.3
209.11925	0.3
211.02452	0.5
227.03700	0.3
271.04602	0.4
287.22372	0.6
290.81189	0.3
332.88403	0.2
359.28101	0.6
431.26282	1.1
449.27567	0.4
491.29144	0.4
503.32251	1.9
504.32486	2.9
520.18622	0.3
521.33649	0.7
522.33917	1.2
547.49286	0.3
564.21405	0.4
565.23065	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	565.0479
Annotation	UDP-glucose
Peak:m/z	Relative Intensity
52.38121	0.3
58.84000	0.3
62.96414	1.0
69.93059	1.6
69.93430	0.7
78.95904	100.0
84.19950	0.4
90.47855	0.3
93.54548	0.3
96.96960	36.8
98.20518	0.5
99.18587	0.3
102.45811	0.3
111.02010	7.6
118.53396	0.4
120.96960	2.0
136.94061	0.4
138.98016	3.2
139.58856	0.3
144.01483	0.3
150.98007	2.4
158.92529	14.4
162.98004	0.5
164.03589	0.6
174.98022	1.1
176.93588	1.2
178.95120	0.4
192.99054	1.3
211.00143	4.3
241.01184	9.1
259.67578	0.4
272.95676	5.2
280.02295	1.6
305.01764	1.1
320.97769	3.0
323.02835	65.8
324.03131	3.0
384.98416	4.2
402.99493	2.1
421.81879	0.4
422.82034	1.2
504.94998	0.6
520.07611	0.4
565.04755	21.3
566.05170	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59077	1.1
57.03445	2.4
59.01381	52.3
61.98832	35.0
69.20293	11.7
69.20580	1.0
71.01383	17.8
73.02961	3.9
83.01403	3.7
85.02956	8.6
85.91003	1.4
88.98810	1.0
89.02444	7.3
93.03481	1.4
95.01398	2.4
97.02941	1.4
99.00881	1.3
101.02435	10.1
107.01421	1.5
108.02145	1.2
111.00896	1.5
113.02445	8.1
116.92871	2.1
117.03461	1.6
119.05064	1.4
123.00905	3.8
123.04602	1.3
125.02464	9.8
127.50548	1.2
131.03564	2.7
132.02173	20.6
133.02969	3.6
134.03737	25.9
137.02426	1.4
138.06870	3.6
139.00383	2.0
140.01154	1.8
141.09409	1.1
143.03557	1.8
149.04720	1.1
149.06119	3.9
151.00452	1.6
151.04031	1.3
153.05554	1.7
153.09251	4.9
155.10701	1.4
160.01662	83.5
161.02129	2.2
161.04556	2.4
168.00584	2.0
169.01471	10.9
175.04002	96.4
176.04379	3.5
177.01982	3.5
179.03447	1.4
183.14017	1.5
193.05057	39.5
194.05452	1.1
209.11987	2.0
211.02493	2.0
211.13364	1.7
225.15053	2.7
235.06073	1.8
265.95285	1.1
271.04724	1.7
285.04056	2.4
313.05652	2.1
327.21890	2.0
337.09332	1.4
359.28107	4.3
371.20627	1.4
434.67050	1.4
447.09451	1.9
501.19647	8.4
503.32208	36.7
504.32602	2.7
519.20953	1.5
521.33368	15.2
563.25116	100.0
564.25745	10.1
568.42651	1.4
589.36664	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	563.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71528	1.4
71.50427	2.6
77.58688	1.3
78.95904	72.1
86.68840	1.4
87.59084	1.3
96.11609	1.2
96.95999	1.4
96.96965	5.9
150.97975	1.5
152.99582	60.4
157.08682	6.4
171.10260	34.1
174.75110	1.2
186.25020	1.4
227.50938	1.6
255.23273	100.0
256.23709	4.6
307.09467	8.7
321.78787	1.4
325.10571	2.2
391.22540	25.9
392.23038	2.2
409.23596	14.1
563.33197	11.6
564.33759	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	564.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59490	0.7
57.03440	0.7
58.00602	0.7
59.01377	17.0
61.98830	28.6
68.39700	0.7
69.03458	0.9
71.01383	9.3
72.99291	0.9
73.02940	3.3
79.01881	1.1
83.01382	1.7
85.02953	4.3
87.00883	1.7
89.02454	6.1
89.13792	0.7
93.03419	1.2
95.01389	2.7
95.92713	0.7
97.02963	1.0
99.00893	0.7
101.02429	7.0
107.01379	6.3
108.02174	3.3
108.13431	0.8
109.02943	2.2
111.00880	2.2
113.02422	4.6
119.03481	0.9
119.24319	0.7
123.00887	15.3
124.01656	2.4
125.02450	29.8
131.03506	1.5
135.04565	0.9
136.98834	2.1
137.02435	2.9
139.00401	6.5
140.01135	4.4
141.01907	2.0
141.09274	1.2
149.04604	1.1
151.00368	12.5
152.01103	2.2
153.01933	2.1
160.01588	2.1
161.04623	1.7
163.03987	1.2
164.90845	0.8
165.01877	1.1
168.00648	9.0
169.01422	38.5
170.01755	1.3
171.10300	1.4
175.04016	1.7
181.51285	0.7
193.05025	1.1
206.17972	0.8
211.02495	14.5
211.13115	0.9
232.65936	0.7
253.09297	1.4
271.04587	17.0
313.05637	4.0
327.21719	3.6
328.22147	3.6
331.06635	1.6
452.45538	0.8
467.07822	1.7
501.19781	100.0
502.20215	10.5
503.32181	2.5
504.32919	3.9
522.33441	0.9
564.21869	1.3
565.22949	44.6
577.69495	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.39542	0.5
59.01379	0.7
61.98827	1.9
62.96396	0.5
64.47892	0.6
71.50217	0.5
71.50658	0.8
72.79119	0.6
78.95909	8.1
85.06586	0.6
140.01169	2.7
146.91681	0.5
152.99548	1.2
165.12813	1.6
181.12379	0.8
196.03851	1.8
199.13399	20.3
200.13712	1.1
200.43936	0.6
214.04845	3.8
236.33194	0.6
263.20142	0.6
272.60690	0.5
279.19675	4.3
280.64658	0.7
347.25870	5.8
365.26950	100.0
366.27295	7.5
529.46106	0.6
562.31500	18.9
563.32257	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	563.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.5
55.23986	1.6
57.03443	5.0
58.16938	1.8
59.01382	100.0
61.98830	55.9
68.99573	2.8
69.03457	2.1
69.84711	8.9
69.85154	3.3
71.01382	42.4
72.99308	3.3
73.02936	8.8
78.95921	5.6
83.01385	8.6
85.02958	18.7
87.00887	2.4
89.02454	17.2
95.01376	3.8
97.02959	5.5
99.00902	3.9
101.02447	25.6
111.00890	3.7
112.98556	2.5
113.02457	22.8
114.05614	3.0
115.00355	4.1
115.03984	5.5
119.03487	5.5
119.97760	2.0
123.00890	6.8
125.02453	20.5
128.03596	2.3
137.02397	2.3
139.00319	2.3
143.03493	4.7
149.05995	2.2
149.24692	1.9
151.00371	6.4
160.01636	5.4
161.04521	9.0
168.00641	4.1
169.01421	22.4
175.03951	4.0
179.05621	2.9
191.05724	2.1
191.38054	1.7
195.06589	2.7
203.05574	5.4
209.11781	2.1
211.02446	4.0
241.01169	1.9
255.02937	3.2
271.04480	4.9
285.03961	3.3
315.18027	2.8
326.26755	2.1
344.18152	2.0
353.16464	2.0
359.27924	6.9
401.10431	4.6
447.09549	4.3
449.29974	2.1
452.61887	2.0
477.23279	17.1
503.32266	69.3
504.32764	3.5
519.23810	6.6
521.33246	24.3
563.21667	13.2
563.34290	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	563.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.5
55.23986	1.6
57.03443	5.0
58.16938	1.8
59.01382	100.0
61.98830	55.9
68.99573	2.8
69.03457	2.1
69.84711	8.9
69.85154	3.3
71.01382	42.4
72.99308	3.3
73.02936	8.8
78.95921	5.6
83.01385	8.6
85.02958	18.7
87.00887	2.4
89.02454	17.2
95.01376	3.8
97.02959	5.5
99.00902	3.9
101.02447	25.6
111.00890	3.7
112.98556	2.5
113.02457	22.8
114.05614	3.0
115.00355	4.1
115.03984	5.5
119.03487	5.5
119.97760	2.0
123.00890	6.8
125.02453	20.5
128.03596	2.3
137.02397	2.3
139.00319	2.3
143.03493	4.7
149.05995	2.2
149.24692	1.9
151.00371	6.4
160.01636	5.4
161.04521	9.0
168.00641	4.1
169.01421	22.4
175.03951	4.0
179.05621	2.9
191.05724	2.1
191.38054	1.7
195.06589	2.7
203.05574	5.4
209.11781	2.1
211.02446	4.0
241.01169	1.9
255.02937	3.2
271.04480	4.9
285.03961	3.3
315.18027	2.8
326.26755	2.1
344.18152	2.0
353.16464	2.0
359.27924	6.9
401.10431	4.6
447.09549	4.3
449.29974	2.1
452.61887	2.0
477.23279	17.1
503.32266	69.3
504.32764	3.5
519.23810	6.6
521.33246	24.3
563.21667	13.2
563.34290	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	562.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41969	0.5
59.01384	3.4
61.98820	1.1
69.17067	6.0
71.01389	1.9
72.00900	2.1
74.02470	18.2
83.01389	2.1
85.02948	0.9
89.02442	2.4
93.03442	3.6
95.01363	0.7
95.05044	1.2
97.02956	0.8
99.00822	0.7
101.02440	1.8
107.01402	1.2
107.05026	1.4
109.02951	6.7
110.03288	2.2
119.05023	22.9
120.05337	0.7
121.02959	2.7
123.00892	0.9
123.04556	2.9
125.02444	9.0
126.02766	1.3
131.03596	1.3
131.05005	1.6
133.02966	1.2
133.06631	1.4
135.04520	0.8
136.07651	0.6
137.02441	2.7
138.02794	0.8
139.04083	1.3
144.04466	0.9
149.02446	1.4
150.02925	0.9
151.00392	1.1
151.04053	0.7
157.06583	2.1
159.04500	1.5
160.04893	0.9
161.02417	6.5
161.06068	1.7
161.09674	0.8
162.02841	3.0
163.04001	9.8
168.00505	0.7
169.01456	8.1
170.01848	0.7
174.09233	14.3
174.89142	0.6
175.02544	1.5
175.07645	17.1
177.01918	1.2
177.09200	1.0
179.03482	1.2
180.06665	44.6
181.07024	1.7
187.03983	1.2
188.10886	3.7
192.10301	18.4
193.08806	0.7
193.10574	1.0
203.03491	0.8
203.07079	1.4
204.07538	1.4
205.05110	3.5
206.05498	1.0
206.11841	3.6
211.02457	0.7
218.08138	0.9
219.06563	3.2
232.09784	4.7
233.98033	0.6
245.08208	2.5
246.08530	1.7
249.03925	1.9
250.10796	5.1
271.06146	1.3
272.06433	2.0
276.13702	0.7
286.67975	0.6
289.07135	11.8
290.07471	10.8
290.10675	0.7
291.07996	0.8
292.13339	0.6
294.15024	2.2
312.16031	7.3
313.05637	1.5
313.16241	0.8
338.13837	1.9
356.14993	15.6
357.10132	0.8
357.14948	1.5
372.15665	0.6
382.12915	1.4
392.08334	1.7
400.13992	100.0
401.14380	8.4
409.09189	1.1
410.09402	3.6
442.15228	1.1
452.10657	1.0
499.18130	2.3
518.20441	1.5
562.19983	15.9
563.10443	4.8
563.19580	1.6
563.27789	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48999	0.3
59.01385	1.7
59.67798	0.3
61.98829	100.0
64.05419	0.3
68.70608	0.3
71.01395	0.8
71.51674	0.4
71.52023	0.3
89.02468	0.6
96.96071	0.4
121.02959	4.7
122.03298	2.5
123.03415	0.6
129.23744	0.3
131.03517	0.3
169.01392	0.7
174.91141	0.3
209.11823	0.7
230.05550	0.4
255.03067	0.5
266.45584	0.3
284.03378	0.6
285.03860	1.5
286.04425	0.8
294.86099	0.4
448.09528	1.5
481.21146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08079	0.6
59.01390	4.1
61.28910	0.6
61.98829	9.1
67.01883	1.1
71.01393	3.8
71.51454	0.7
71.52105	0.7
73.02541	0.6
73.02952	1.0
77.85773	0.7
78.08108	0.6
79.01918	0.9
83.01352	1.1
84.86616	0.7
85.02943	1.9
89.02430	1.5
95.01381	1.1
96.96001	1.9
101.02435	2.7
107.01378	3.0
109.02962	1.1
111.00896	1.1
113.02447	1.5
123.00900	8.7
125.02453	12.7
127.00349	1.1
128.03540	1.0
133.00237	0.7
137.02425	1.3
139.00385	3.3
140.01146	1.0
151.00375	7.8
168.00618	2.1
169.01425	18.4
170.01845	0.9
175.07574	0.6
176.08003	1.0
191.81723	0.7
193.08629	3.9
194.09035	2.3
211.02512	0.8
237.07640	1.3
238.07945	0.8
253.03378	1.0
271.04630	1.3
284.47046	0.6
289.07254	1.8
290.07425	1.1
300.99957	1.0
313.05783	1.6
399.12955	1.3
400.13394	2.2
474.64334	0.7
499.18225	100.0
500.18658	8.8
532.51904	0.7
562.19000	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	562.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16243	1.0
59.01376	4.0
59.69833	1.0
61.98838	7.5
62.18312	1.1
63.64281	1.1
67.70464	1.2
69.36250	0.9
71.01365	3.3
71.27608	2.1
75.38940	1.1
81.19391	1.0
84.38881	1.2
85.02960	1.2
89.02431	1.6
92.59438	1.0
95.01372	1.5
101.02441	2.0
102.71040	1.0
107.01390	2.3
109.02943	1.5
113.02389	1.9
117.57791	1.3
123.00899	9.4
124.15552	1.0
125.02441	13.1
137.02499	1.7
139.00374	3.8
140.01213	1.3
141.01976	1.3
151.00406	7.8
161.02382	1.2
162.27377	1.0
164.01230	1.2
164.98306	1.1
168.00632	2.6
169.01410	20.5
170.01874	1.2
211.02446	1.5
212.00089	1.2
214.89931	1.1
257.27875	1.0
271.04547	4.8
276.48380	1.2
289.07129	1.4
290.07312	1.6
299.51392	1.2
313.05698	1.8
398.94955	1.1
499.18219	100.0
500.18762	9.3
562.14276	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95856	5.1
57.03434	11.9
59.01381	66.9
61.98829	31.3
69.11884	4.9
69.79144	5.2
71.01382	35.0
83.01369	13.6
83.05020	8.4
85.02955	12.8
87.00855	9.1
88.98812	4.8
89.02434	25.5
92.90385	5.0
95.01334	4.4
95.05032	6.3
97.02951	8.3
97.06593	12.9
98.20747	12.0
101.02464	34.1
109.06591	6.5
113.02449	14.6
116.06196	6.0
119.03487	7.5
123.04528	7.0
125.02457	5.9
125.09748	29.5
129.86253	4.2
131.03505	5.0
135.08112	5.6
137.09726	8.9
161.04550	9.2
163.11241	18.9
167.10822	9.9
169.01311	7.4
171.10280	22.5
181.12341	5.0
185.11873	24.4
191.14381	19.3
207.10283	13.4
209.11868	63.1
211.13464	4.6
225.11281	7.6
227.12827	12.2
237.11320	8.0
245.19058	40.7
253.09268	36.0
263.20065	8.4
267.50830	5.3
289.18094	100.0
290.18488	8.0
307.19104	47.8
308.19342	4.7
368.23563	5.3
406.13483	5.2
501.69556	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	562.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	5.4
61.98829	7.9
62.38790	0.8
69.66140	4.3
69.66548	1.7
71.01382	5.2
72.99325	1.3
73.04555	0.8
73.06744	0.8
74.02473	2.1
83.01385	1.6
85.02954	2.6
87.00867	1.3
89.02435	2.9
93.03454	1.8
95.01376	2.0
96.95996	2.5
97.02950	1.1
98.19914	1.8
101.02466	1.8
107.01388	2.5
109.02964	2.1
111.00875	1.7
113.02442	1.9
115.00435	0.9
119.03554	1.1
119.05018	3.4
121.02980	1.1
123.00906	10.3
123.04492	1.6
125.02454	17.0
127.00386	0.9
137.02422	1.9
139.00391	4.9
139.03972	1.0
140.01054	1.1
151.00371	9.0
153.01962	1.0
161.02435	3.2
163.04045	1.3
168.00615	2.6
169.01427	24.9
170.01799	1.2
174.09207	1.6
175.02473	1.6
175.07639	2.4
179.03560	1.2
180.06641	6.1
189.18584	0.9
191.05527	1.1
192.10272	1.8
209.53584	1.0
211.02460	3.7
245.08249	1.4
271.04507	5.1
289.07089	4.0
290.07513	4.2
300.99847	2.0
312.15771	1.3
313.05585	1.8
356.15015	1.6
400.13974	12.3
410.09399	1.1
460.35617	1.1
499.18222	100.0
500.18622	7.5
562.13788	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.8
58.00596	4.3
59.01379	100.0
61.98834	36.6
65.54054	1.8
68.99568	5.2
69.03458	2.8
69.22839	16.8
71.01382	59.5
72.65472	1.8
72.99318	3.4
73.02948	14.6
75.24233	1.5
83.01398	4.2
84.09767	1.8
85.02978	13.3
87.00880	4.0
87.19199	1.9
89.02444	95.4
94.48270	2.0
95.01376	3.8
97.02988	4.1
98.19951	4.3
99.00896	21.0
101.02446	49.0
107.01364	2.2
109.06586	5.4
112.98553	4.2
113.02478	14.7
113.58794	2.5
119.03516	10.5
123.00857	4.1
125.02453	21.0
131.03510	16.5
134.03719	5.9
137.02432	2.5
137.12679	2.4
143.03505	3.2
149.04559	61.5
150.71933	1.8
151.00381	6.4
152.01103	2.7
153.05592	2.3
160.01659	2.9
161.04539	8.3
163.00514	2.0
169.01442	26.2
171.10252	8.4
175.03958	2.5
178.02722	4.5
179.05583	4.6
191.05617	14.8
193.05013	9.7
193.06592	43.0
194.06955	3.4
197.11839	7.6
206.99832	28.6
209.11778	2.7
211.02220	2.5
211.13434	3.4
221.06602	5.3
235.06133	2.6
251.07658	7.2
253.09288	7.4
265.07227	2.4
271.04654	3.5
293.08527	3.7
307.10394	2.4
307.19156	3.6
311.09775	4.8
325.20148	14.4
349.12778	2.3
449.84167	2.1
501.30438	9.2
517.16882	5.7
519.31488	3.0
561.15393	3.5
561.22717	4.6
561.30072	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	561.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
57.03445	1.6
58.00597	3.2
59.01379	100.0
61.98833	1.7
69.03475	1.5
70.98931	2.0
70.99282	1.4
71.01379	59.2
72.99310	3.2
73.02937	6.6
78.95918	1.3
80.96502	4.0
82.96089	2.5
83.01382	3.6
84.70661	1.0
85.02947	10.2
87.00881	1.9
89.02445	100.0
90.02809	1.1
93.03456	1.4
96.96015	19.3
96.96978	2.1
97.02959	1.1
99.00883	7.2
101.02445	45.1
109.02942	1.0
111.00890	1.2
113.02447	10.4
119.03484	8.1
119.05000	2.1
125.02469	6.2
129.01930	4.1
131.03500	64.8
137.09671	1.2
143.03554	1.1
149.04550	93.5
150.04935	1.2
150.97415	1.0
161.04518	1.1
169.01361	4.6
173.04485	1.3
176.67963	1.0
180.06693	3.6
191.05609	45.0
192.05911	1.4
192.10280	3.2
196.67970	0.9
201.46519	1.0
221.06744	5.2
227.00594	1.1
249.68399	0.9
251.07642	3.9
267.15985	1.4
281.08743	1.5
308.45081	0.9
311.09854	2.0
312.16296	1.3
356.14932	1.1
499.18320	2.5
561.20599	12.9
561.28546	1.3
562.19446	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	561.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52212	1.6
57.03445	2.0
58.00592	3.7
59.01377	60.7
68.69617	1.3
71.01378	48.6
71.52219	2.4
72.99306	3.1
73.02946	12.3
83.01394	1.7
85.02953	6.3
87.00877	2.2
89.02439	100.0
89.22506	1.5
93.03455	2.2
96.96011	6.3
99.00879	29.0
101.02433	36.7
113.02427	7.0
119.03490	4.4
119.67539	1.9
123.00886	2.2
125.02418	7.7
131.03519	17.3
142.82790	1.4
143.03462	2.5
149.04550	66.0
150.04895	1.8
161.04510	3.0
169.01419	5.0
191.05626	20.7
209.16498	1.7
221.06598	7.6
251.07690	4.9
255.25682	1.7
293.08694	2.0
306.50488	1.8
311.09686	3.0
399.16440	2.6
405.99402	1.5
512.92145	1.6
524.52710	1.7
561.21924	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	561.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.0
58.00598	3.1
59.01377	93.4
61.14105	1.7
61.98831	40.4
68.99572	4.9
69.03470	3.1
69.19283	18.3
71.01380	56.8
72.99303	3.1
73.02949	13.5
83.01400	4.2
85.02947	11.2
87.00896	2.6
89.02444	100.0
95.01392	4.0
96.96014	2.7
97.02942	4.5
98.19925	3.1
99.00883	21.7
101.02441	48.4
104.25571	1.5
107.01424	2.4
108.41497	1.7
111.00956	2.0
112.98549	4.1
113.02441	14.7
115.94627	1.6
116.28665	1.7
119.03487	10.0
123.00903	6.9
123.04546	2.2
125.02451	28.8
131.03511	19.5
143.03513	6.9
149.04549	67.3
151.00342	3.6
153.05598	5.2
160.01666	2.2
161.04572	8.4
168.00587	2.0
169.01421	38.3
171.10274	9.2
178.02721	3.7
179.05634	4.7
191.05641	15.5
193.05023	5.1
193.06569	46.4
193.52782	1.9
197.11740	3.9
203.10989	2.2
206.99823	21.1
209.11803	4.1
211.02475	3.0
211.13345	2.5
221.06622	7.8
235.06049	2.9
251.07733	5.9
253.09254	5.3
271.04623	2.3
293.08636	2.2
311.09726	6.2
313.05707	3.1
325.20151	7.1
356.79971	1.9
369.13467	2.8
409.14850	2.7
501.23633	2.5
501.30368	8.5
517.17419	4.2
519.31598	2.2
561.15796	2.5
561.22186	3.9
561.31067	3.0
584.20313	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	561.1981
Annotation	Saframycin A
Peak:m/z	Relative Intensity
59.01385	8.4
61.98832	9.8
65.00307	1.0
68.99585	2.1
69.03458	0.9
71.01381	7.0
72.99330	0.8
73.02958	1.3
76.30643	0.9
81.03479	1.4
85.02952	4.5
89.02445	3.4
93.03469	1.5
95.01395	1.5
97.02956	1.3
99.00909	1.3
99.92612	2.8
101.02445	5.7
107.01431	0.8
107.05062	0.9
108.02180	40.1
109.02963	28.6
111.00906	1.4
112.98592	2.8
113.02448	3.6
115.92093	5.5
116.92862	17.3
119.03520	1.4
119.05047	0.7
121.02980	1.5
123.00896	1.6
123.04558	1.2
125.02440	3.8
125.06042	0.9
134.03767	1.7
135.00922	0.8
136.05319	1.1
137.02449	0.8
139.00385	1.2
140.01195	1.5
145.03011	1.8
145.06522	0.7
148.05278	0.7
149.02541	0.9
149.06107	0.8
150.34996	0.6
151.00404	2.6
151.04050	1.3
152.01157	51.8
153.01942	16.2
153.09129	0.6
154.02184	0.9
160.01695	1.6
161.04552	1.8
163.03981	1.2
163.07649	1.0
165.01929	1.3
168.00671	2.7
169.01448	4.8
171.10310	1.3
175.04051	1.8
178.99899	1.1
181.05045	0.7
185.00935	0.8
191.07147	1.1
193.04991	3.7
201.12868	2.9
204.11586	1.3
219.13956	2.4
227.03511	1.4
230.09470	1.0
235.06154	2.6
243.03003	1.2
245.11818	1.5
255.02975	5.2
263.12833	1.1
271.02426	5.9
283.02588	1.6
295.08200	2.3
297.05774	0.8
300.02670	10.4
301.03506	5.6
315.07175	8.1
397.27121	0.7
412.37332	0.8
415.12424	7.1
457.15857	0.7
463.08838	9.2
501.30765	1.0
517.18097	1.2
561.19958	100.0
562.20490	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	561.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.7
57.03460	0.6
59.01383	18.2
61.44471	0.4
61.98837	8.5
68.35720	0.4
69.03459	0.9
71.01389	6.7
71.52579	0.8
72.99323	0.7
73.02951	2.2
77.03967	0.5
80.96526	0.8
83.01392	0.9
85.02952	2.5
87.00871	0.7
89.02439	4.6
93.03471	3.2
94.03844	0.6
95.01364	0.7
96.96004	0.9
99.00868	0.8
101.02445	4.7
107.01414	1.4
108.02222	0.6
109.02935	0.6
111.00858	0.6
112.98598	0.6
113.02473	2.5
115.92089	0.7
116.92863	1.9
119.03503	1.2
119.05010	0.5
121.02964	100.0
122.03300	1.8
123.00882	2.4
124.01726	0.5
125.02454	6.9
131.03505	3.6
134.03784	0.5
136.04066	1.9
137.02475	6.5
137.04402	0.5
138.02821	1.9
139.00357	0.9
143.03517	0.5
145.02989	0.6
146.08250	0.6
149.04578	0.7
151.00394	3.2
152.01122	0.5
153.01929	0.6
161.02466	0.4
161.04541	2.1
163.03967	0.7
168.00694	0.5
169.01433	7.0
171.10287	1.1
173.11972	0.5
178.99858	0.7
191.05573	0.9
198.03880	0.6
211.02374	0.8
227.03616	0.7
243.03015	0.5
255.02986	1.5
261.56622	0.6
267.16000	0.9
271.02402	1.2
271.04865	0.8
284.03293	0.9
285.04001	1.0
297.33008	0.5
300.02792	2.7
301.03561	2.0
307.11850	3.3
313.05695	1.0
325.12927	1.7
369.15451	3.6
463.08624	3.1
501.19955	1.3
501.30585	0.9
561.21887	13.8
562.22003	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.5
57.03429	2.3
58.00565	1.6
59.01381	33.0
61.98831	14.4
67.01859	1.7
68.99557	8.2
69.03423	3.4
71.01384	19.6
71.52139	0.9
72.99271	2.4
73.02946	4.5
78.95867	0.7
79.01850	3.1
79.05501	2.0
81.03428	1.3
83.01400	6.1
83.05016	1.1
85.02967	5.3
85.03370	1.2
86.61880	0.8
87.00856	1.9
88.78101	0.9
89.02446	11.7
93.03425	1.2
95.01385	4.8
96.95951	1.3
97.02457	0.6
97.02934	6.1
99.00822	2.5
99.04439	1.1
101.02448	12.4
105.07021	0.9
107.01391	17.9
107.05009	1.9
108.02168	1.2
109.02924	1.4
109.06541	1.1
111.00832	2.9
112.98564	9.6
113.02447	9.4
119.03506	4.6
119.04922	1.1
121.02905	0.8
123.00889	27.5
124.01637	1.8
125.02450	66.4
126.02728	2.4
127.00393	1.0
129.01877	0.9
129.07045	1.3
131.03378	1.1
132.31624	0.7
134.03658	1.0
136.75616	0.7
136.98625	0.9
137.02402	2.0
138.03127	1.1
139.00365	9.2
139.03972	1.2
140.01048	3.4
141.01823	2.9
143.03409	1.8
143.04456	0.8
143.08656	1.7
147.04468	1.0
149.02391	0.9
149.04504	1.8
151.00366	17.3
151.03873	1.2
152.01028	1.3
153.01820	3.5
159.11818	10.0
160.01651	1.0
161.04456	2.5
165.01881	0.9
166.99847	1.8
167.03351	2.0
168.00648	5.1
169.01424	100.0
170.01634	2.6
170.07251	3.3
171.10138	3.7
171.11459	0.9
175.03883	2.2
179.05571	1.6
183.02884	2.0
183.08072	1.2
183.11679	2.7
185.09737	8.5
187.11195	1.7
193.01329	2.1
193.04968	1.2
201.12750	1.9
203.10777	16.8
203.14168	1.6
211.02483	10.5
211.13318	1.1
217.12221	1.8
226.02628	0.9
227.10625	3.2
229.08551	2.3
245.11606	3.1
247.09746	18.3
253.03258	1.1
253.09184	1.1
271.04596	1.7
271.09540	2.5
285.03809	1.5
289.10901	6.0
295.99457	1.0
313.05453	3.6
319.11978	6.5
325.20062	1.8
331.06479	4.0
332.37057	0.9
339.25110	1.4
349.12891	22.7
350.12939	2.2
357.26236	1.8
383.00201	1.1
391.13287	1.3
409.15009	42.1
410.14850	3.1
464.12924	3.1
497.32440	0.9
501.14105	0.9
501.30865	7.1
517.17163	11.2
518.16754	1.0
519.31232	2.1
529.02496	7.5
543.14337	1.1
561.15674	64.7
562.15973	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	561.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37532	0.7
57.03440	2.7
59.01367	2.4
61.98816	0.9
65.03946	0.8
69.03468	0.9
71.01383	2.1
71.50907	0.7
74.02474	4.5
80.96504	1.4
81.03439	2.6
83.01389	5.5
85.02953	1.0
87.00854	1.0
89.02422	0.9
93.03449	4.0
95.01398	1.5
95.05000	2.6
97.02947	4.9
99.04487	1.2
100.39177	0.7
101.02464	1.8
105.03430	1.0
107.05032	0.9
108.02191	0.7
109.02951	35.0
110.03284	0.7
113.02472	1.0
117.03442	1.5
119.05044	4.5
121.02934	7.8
122.03732	1.7
123.00819	1.4
123.04526	15.1
125.02443	21.6
133.02956	5.7
135.04509	5.4
137.02444	17.2
138.03159	0.9
139.00388	0.9
139.04015	4.9
146.03699	1.5
147.04520	1.8
148.01620	2.1
149.02441	10.0
150.03186	3.2
151.03993	9.6
157.06615	1.1
159.04512	9.3
160.05222	1.7
161.02437	37.6
161.06064	5.7
162.03114	3.1
163.00340	1.7
163.04012	4.0
164.01183	3.4
165.01884	5.2
165.05536	0.7
167.03467	1.9
169.01404	7.8
173.04550	3.4
173.06061	1.9
174.03192	1.5
174.09248	3.1
175.04059	4.0
175.07613	6.0
177.01833	1.8
177.05569	1.4
179.03502	6.0
180.06673	7.6
183.04549	1.0
185.06151	1.7
187.03981	5.3
188.04745	4.0
191.03607	1.1
192.10277	4.6
201.05515	2.5
202.06387	1.6
203.03534	3.7
203.07129	14.9
205.01399	2.5
205.05070	10.7
206.11830	1.3
209.06046	0.8
212.04648	1.0
213.05519	2.2
215.03535	0.8
215.07060	1.3
217.05130	0.7
219.06668	0.8
221.08160	2.7
227.03458	1.0
227.07132	2.5
229.05035	1.6
230.05589	0.8
231.03001	1.2
232.09709	1.0
239.03543	1.9
240.04352	0.8
241.05003	1.1
243.06514	1.2
245.08159	16.3
246.08624	0.9
247.06190	3.4
250.10843	1.5
253.04997	3.6
255.06497	1.0
257.04532	2.3
269.04788	1.0
271.06149	9.8
272.06348	0.9
281.04547	0.9
287.05502	1.1
289.07169	100.0
290.07401	5.4
299.05573	1.1
300.99857	1.0
312.16052	1.2
313.07239	1.2
313.78961	0.8
323.09094	0.9
329.06827	1.6
356.15039	2.6
382.12650	0.9
391.08298	14.1
392.08432	1.1
400.08752	1.3
400.13998	22.9
400.62088	1.0
409.03882	1.0
409.09314	21.8
410.09546	1.7
421.09137	1.2
451.10330	8.0
452.10526	1.1
458.75989	0.9
471.15472	1.0
517.14844	1.4
543.13037	2.2
547.07281	0.9
561.13861	21.6
561.21002	1.4
562.19415	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	558.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76255	0.6
61.98830	100.0
64.39259	0.6
70.48740	0.6
78.95914	0.8
79.48367	0.6
84.07487	0.5
86.82251	0.6
131.46420	0.6
160.85110	0.7
177.25038	0.7
187.70308	0.6
191.24767	0.6
199.71140	0.7
279.08469	0.6
416.24762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90532	0.3
59.01380	8.5
69.34222	0.5
69.34625	2.2
71.01369	0.7
77.03981	0.4
89.02454	1.5
101.02464	0.9
103.11678	0.3
107.64063	0.3
121.02957	100.0
122.03299	2.1
131.03520	1.3
142.33685	0.3
149.04485	0.6
169.01422	0.4
245.10306	0.5
293.08908	0.5
370.14767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.6
57.03443	2.8
59.01369	2.7
61.98822	1.8
65.03950	1.0
67.01863	1.3
69.03443	2.0
69.40953	3.1
69.41376	2.4
71.01381	1.7
77.80921	0.7
80.96518	1.0
81.03440	1.9
83.01382	4.5
85.02938	1.2
89.02415	0.9
93.03458	3.8
95.01385	1.7
95.05040	2.9
96.60429	0.8
96.95988	1.6
97.02953	7.7
97.64630	0.7
105.03461	1.5
106.79219	0.6
107.01376	1.7
108.02251	1.4
109.02950	37.1
111.00927	0.7
111.01703	0.7
117.03486	1.4
121.02960	7.4
122.03737	2.4
122.62157	0.6
123.00910	1.8
123.04524	15.2
125.02441	28.2
133.02953	6.2
133.10310	0.7
135.00938	0.7
135.04536	5.4
137.01456	1.3
137.02449	16.5
139.00331	0.8
139.04015	3.7
143.05029	0.8
145.02925	1.2
146.03693	2.0
147.04521	2.1
148.01659	2.6
149.02448	10.0
150.03195	2.4
151.04015	7.3
151.93904	0.7
159.04520	6.9
160.05246	1.1
161.02441	38.4
161.06033	7.1
162.03038	2.3
163.00307	1.3
163.03969	1.8
164.01152	2.5
165.01935	4.7
167.03461	2.5
169.01427	14.7
170.01851	1.3
173.06071	1.5
175.04005	4.7
175.07668	1.4
177.01897	2.1
177.05554	1.6
179.03502	6.6
185.06009	1.6
187.04001	5.3
188.04730	3.0
189.05508	0.8
197.06096	1.0
199.07527	1.2
201.05519	2.4
202.06384	2.4
203.03516	3.3
203.07112	13.0
203.08905	1.1
205.01390	2.8
205.05058	11.9
209.06032	0.8
211.02354	1.1
213.05452	1.0
215.03572	1.1
215.07176	1.1
221.08208	2.4
227.03520	0.8
227.07155	2.4
229.05057	1.4
230.05759	1.1
231.02933	1.0
237.22438	0.8
239.03525	1.5
240.04266	1.3
241.05067	1.2
243.06633	1.0
245.04433	1.0
245.08163	16.6
246.08423	0.9
247.06110	3.5
247.42421	0.7
253.05157	3.7
257.04581	2.4
271.06165	9.8
281.04593	1.2
289.07175	100.0
290.07513	5.9
297.06863	0.7
329.06607	2.1
365.10327	0.8
391.08240	10.3
409.09277	13.7
410.09705	1.5
421.09427	1.5
433.09268	0.9
451.10254	6.8
452.10733	1.2
471.15720	1.1
517.15295	0.9
543.13208	2.6
561.13678	18.3
562.14917	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	558.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73644	0.6
61.98831	100.0
63.54159	0.7
67.45228	0.7
71.49834	0.9
71.50170	0.8
74.62288	0.6
77.10368	0.7
78.95937	0.8
132.94160	0.8
137.36426	0.8
164.01837	0.7
172.68793	0.7
211.13370	0.8
543.42474	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3101
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
55.72053	1.9
59.01387	19.3
61.98825	19.5
71.01376	10.6
72.99288	1.9
73.02938	3.4
82.03394	2.4
83.01407	2.1
85.02958	4.7
89.02451	5.8
96.96037	2.5
101.02446	8.0
107.01378	3.7
112.64204	1.9
113.02431	4.0
123.00871	6.1
125.02454	21.3
139.00351	2.9
140.01149	2.2
151.00363	6.1
168.00644	5.2
169.01419	24.3
211.02429	4.7
271.04575	4.6
351.21976	2.2
428.65509	2.7
521.20154	6.3
521.33264	46.1
522.33813	3.7
557.22583	19.6
557.30951	100.0
558.23553	2.8
558.31299	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.2
61.98827	12.8
69.97821	13.2
71.01379	9.7
75.09532	3.3
76.22233	3.1
78.95917	19.0
85.02953	3.0
89.02409	6.7
95.01396	3.8
96.96014	70.6
96.96940	26.3
98.20609	5.5
101.02448	5.3
107.01385	6.7
111.72554	3.0
113.02451	4.6
123.00880	13.9
124.01609	3.5
125.02440	49.7
135.00870	5.6
148.59247	2.9
153.01964	3.6
166.99861	2.9
168.00664	4.9
169.01427	65.3
197.31076	3.4
198.06798	4.5
219.13875	3.6
242.05901	3.6
275.81964	2.9
313.05554	4.6
357.25980	3.3
395.20633	9.3
405.06708	5.3
449.07010	3.6
466.46375	3.0
481.07098	9.1
481.57162	3.9
519.31610	4.4
521.33185	48.0
522.33789	4.2
532.43213	3.3
557.12927	13.2
557.22650	8.6
557.30951	100.0
558.31403	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	557.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61660	0.1
59.01376	0.2
61.98831	100.0
69.25629	0.5
69.26064	0.6
78.95918	0.5
79.23439	0.1
113.65536	0.1
151.76883	0.1
152.99611	0.3
224.07008	0.1
230.82413	0.1
241.35031	0.1
255.23280	1.7
256.23520	0.6
257.24011	0.5
258.24274	0.3
480.31079	1.0
481.30899	0.2
482.31738	0.2
483.32056	0.5
557.32544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27614	0.6
56.44024	0.6
57.03439	1.6
59.01381	3.6
60.14878	0.6
61.98835	4.5
66.98293	0.7
69.03462	6.7
71.01382	3.2
71.05019	2.4
79.94063	0.7
80.02672	1.4
81.03436	2.5
83.01384	2.0
83.05023	6.7
84.02141	0.8
86.79170	0.7
88.65803	0.7
95.05039	1.9
97.06602	1.3
97.18687	0.7
98.69862	0.7
99.00881	1.0
109.06577	1.2
113.02430	1.7
119.38637	0.8
123.08137	2.8
124.95256	0.8
125.02448	1.4
125.09711	4.1
149.09758	1.1
151.11305	5.4
153.12810	2.0
161.09706	7.2
163.11290	5.1
165.12770	1.3
167.86984	0.7
169.01445	0.8
175.24452	0.7
179.10785	24.1
180.11194	1.1
181.12383	1.0
185.11787	1.4
191.10692	0.9
197.11827	77.2
198.12238	3.6
209.11819	63.7
210.12163	3.6
223.09731	2.9
227.12909	9.0
241.10796	12.0
252.91353	0.8
269.52936	0.7
290.67157	0.7
297.13358	4.9
312.86438	0.7
315.14481	13.6
343.09363	0.8
349.82663	0.8
389.23242	0.9
393.73419	1.0
395.28040	1.5
445.25668	0.9
480.38184	0.7
507.25745	2.5
525.27032	100.0
526.27460	10.3
557.29932	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	557.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60364	2.6
59.01371	18.5
61.21767	3.2
61.98833	17.6
69.03475	3.0
69.26080	3.8
69.26425	24.2
71.01390	8.5
77.13289	2.5
85.02950	4.5
89.02445	5.1
101.02450	9.1
113.02470	4.9
119.03557	3.8
123.00903	6.7
125.02459	22.3
125.86198	2.5
163.00525	2.5
168.00658	2.9
169.01425	31.1
211.02414	3.9
234.96107	2.6
272.28000	3.5
291.65265	2.9
334.84308	2.7
405.21030	3.8
521.20471	5.3
521.33240	27.0
539.21484	4.0
557.14203	3.1
557.22668	19.8
557.31085	100.0
558.22980	4.6
558.31378	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	557.224
Annotation	Yadanziolide U
Peak:m/z	Relative Intensity
58.00580	0.6
59.01378	21.3
61.98822	3.0
67.01869	0.8
69.03464	0.5
71.00314	0.8
71.01382	17.3
72.99313	0.8
73.02935	1.0
79.01904	0.7
83.01379	1.0
85.02969	2.3
87.00877	0.8
89.02441	12.2
95.01385	1.8
95.40459	0.3
97.02953	0.5
101.02435	7.7
107.01393	4.6
111.00881	1.4
113.02438	4.7
119.03492	4.4
123.00887	7.0
124.01734	0.5
125.02443	16.8
127.00362	0.5
127.07609	0.4
127.11304	0.7
131.03491	0.4
133.02930	0.4
136.98822	0.8
139.00380	2.8
139.11305	0.5
140.01192	2.5
140.02051	0.5
141.01894	0.7
151.00349	3.6
151.04022	0.6
153.01906	0.4
153.12843	1.2
167.03505	0.5
168.00632	4.4
169.01416	20.6
170.01837	0.4
178.95120	0.4
183.03035	0.4
192.93587	0.4
199.13416	3.5
207.13914	1.4
211.02481	11.7
223.02478	0.6
223.51514	0.4
225.14917	0.8
265.03348	0.4
268.82559	0.4
269.04584	0.5
271.04599	10.7
289.34586	0.4
313.05609	0.8
325.05499	1.3
331.06711	0.5
387.20270	0.8
405.21292	8.7
406.22031	0.5
422.37485	0.4
539.21204	3.2
557.22333	100.0
558.22662	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	557.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76147	0.5
52.71466	0.5
55.01869	0.8
57.03428	0.9
58.00611	0.7
59.01381	19.0
61.98539	0.7
61.98831	7.7
64.30955	0.6
69.03452	1.4
71.01382	12.4
71.52682	0.5
72.99305	1.4
73.02942	2.2
78.95877	0.6
79.01873	0.6
79.98853	0.5
83.01379	1.7
83.05000	0.5
85.02958	4.1
85.06598	0.9
87.00885	1.0
89.02445	9.4
90.45242	0.5
93.03489	1.1
93.57106	0.5
95.01394	2.7
97.02969	0.8
97.06523	0.5
99.00877	3.3
101.02441	10.7
106.32393	0.5
106.75340	0.5
107.01373	3.9
108.73233	0.5
111.00863	2.1
113.02458	5.3
119.03497	4.1
119.05005	0.5
121.02935	2.2
123.00896	8.2
123.04536	0.6
124.01646	1.8
125.02448	20.9
126.02702	0.7
136.98758	0.7
137.02452	1.2
139.00360	3.3
140.01128	2.3
141.01901	1.3
143.03505	0.8
149.04494	0.7
151.00365	4.8
153.01865	0.8
153.05533	0.7
155.14426	4.2
161.04526	1.4
168.00610	2.3
169.01424	22.6
170.01765	0.9
171.10246	0.6
181.12366	0.6
181.15961	2.8
185.00909	0.7
199.13387	11.2
209.15837	0.5
211.02446	3.2
220.41977	0.5
223.91731	0.5
225.14919	5.0
230.09222	0.5
233.06673	0.8
271.04578	3.3
293.08792	2.8
299.98318	0.5
313.05667	1.2
329.23401	0.5
341.00699	0.6
349.23831	0.7
395.24219	0.8
401.21893	0.7
405.21255	22.5
406.21683	1.8
439.42722	0.6
481.06848	1.0
519.31665	1.1
521.33667	0.9
539.21448	3.2
557.22290	100.0
558.22693	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	557.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
59.01379	31.2
61.98828	5.7
65.00312	0.5
67.01888	0.5
68.17229	0.5
69.51708	0.6
71.01380	11.1
71.52061	0.5
72.99297	1.5
73.02948	3.2
73.85150	0.5
79.01884	1.3
83.01375	2.1
83.05000	0.5
85.02954	3.7
85.06569	2.3
87.00864	1.4
89.02448	7.0
89.41481	0.5
95.01382	2.0
96.96003	0.6
97.02937	0.6
99.00862	2.0
99.92583	0.6
101.02444	10.7
107.01378	3.9
108.02133	1.0
109.02930	0.7
111.00848	1.8
113.02444	5.5
116.92813	0.6
119.03482	3.4
123.00881	9.5
124.01646	1.1
125.02444	18.4
126.02766	0.8
136.98808	1.2
137.02423	0.5
139.00374	4.1
140.01129	2.9
140.02908	0.6
141.01938	0.7
151.00378	5.5
152.01108	0.6
153.01825	0.7
153.55933	0.5
155.14380	4.1
161.04530	0.8
168.00639	4.3
169.00015	0.9
169.01425	19.2
170.01707	0.5
181.15962	2.8
193.98538	2.6
194.99353	1.1
199.13391	12.1
211.02458	3.3
225.14897	2.5
241.03572	0.6
271.04553	3.8
279.09305	0.5
297.06226	1.0
313.05585	2.3
398.66898	0.6
405.21277	23.3
406.21432	1.6
446.21667	0.5
449.07135	2.7
463.21414	0.6
466.07452	2.2
521.20221	1.4
539.21271	2.7
557.13361	6.4
557.22290	100.0
558.13593	1.4
558.22467	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	557.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87836	0.7
59.01382	31.0
61.98842	3.3
69.03468	2.1
69.26161	6.8
71.01385	3.9
73.02963	2.8
78.36996	0.8
79.01927	1.5
81.03487	0.8
83.01406	1.2
83.85300	0.8
85.02973	1.0
89.02416	0.8
91.01767	0.7
95.01404	1.8
97.02938	1.6
101.02444	3.9
107.01402	13.0
113.02445	1.1
123.00887	8.9
125.02451	68.6
126.02779	1.2
136.98743	0.8
139.00362	3.7
139.11285	18.3
140.01132	1.3
140.11652	0.9
141.01990	1.0
151.00362	4.5
162.03436	0.8
163.07652	0.7
163.11191	0.7
165.09283	1.2
165.40956	0.8
167.03416	0.8
168.00645	2.4
169.01425	100.0
169.12341	0.9
170.01752	3.0
179.10806	1.2
181.12347	11.1
182.12599	0.9
183.10251	23.9
193.01361	1.7
197.11876	1.1
199.13416	4.3
199.76909	0.8
211.02412	5.3
225.11354	12.8
243.12364	75.3
244.12733	3.6
257.13950	1.7
271.04599	3.5
285.13434	23.1
286.13635	1.5
315.14417	7.4
331.06793	1.1
335.09470	0.8
345.15533	28.3
346.15799	2.3
387.16486	2.6
395.13312	3.5
405.17609	60.8
406.18011	3.9
497.16602	2.6
521.20239	1.1
539.17188	1.9
557.18604	59.1
558.18866	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	557.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62580	0.4
53.96955	0.4
58.00565	0.4
59.01105	0.9
59.01377	7.5
61.98819	1.0
64.36117	0.4
69.41522	0.4
69.88213	1.6
71.01386	3.4
72.86770	0.4
72.99308	0.5
73.02948	1.0
80.61875	0.4
85.02949	1.4
89.02456	3.4
95.01349	0.5
98.20692	0.4
101.02442	2.3
107.01369	4.0
109.28603	0.4
110.00112	0.4
111.00891	2.4
113.02465	1.4
119.03490	0.9
123.00889	2.1
124.01620	2.0
125.02444	25.8
126.02773	0.6
127.00347	0.8
136.02815	0.4
136.98785	1.7
139.00365	3.0
139.03952	0.6
140.01175	4.0
149.02408	0.5
151.00357	1.3
154.99855	0.5
157.42903	0.4
163.11237	0.6
165.01920	1.2
167.03465	2.3
168.00630	14.5
169.01416	39.2
170.01775	1.0
181.12338	7.4
193.01459	0.5
211.02473	70.1
212.02887	2.5
225.11310	15.9
226.11667	0.5
241.03513	1.6
271.04575	100.0
272.04910	4.4
331.06702	22.7
332.07071	1.1
405.17584	11.3
406.17966	0.7
471.94839	0.4
557.18707	67.5
558.19104	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	557.1301
Annotation	3,3',4,5'-Tetrahydroxystilbene 3'-O-beta-D-(6''-O-galloylglucopyranoside)
Peak:m/z	Relative Intensity
55.01862	1.2
59.01110	1.0
59.01379	15.1
61.98830	31.3
62.84562	0.6
65.00307	1.8
67.01888	1.3
69.03449	5.7
71.01379	8.4
72.99276	1.0
73.02939	3.0
79.01894	3.5
81.03473	1.9
83.01388	1.5
85.02956	1.6
87.00862	1.2
87.95070	0.7
88.98802	1.3
89.02438	2.9
93.03468	2.1
95.01395	4.9
96.96032	1.6
97.02950	3.2
97.59484	0.7
99.00895	1.3
101.02425	2.9
107.01395	13.6
108.02176	11.8
109.02980	3.8
110.00141	0.8
111.00891	3.5
113.02446	3.4
119.03536	0.9
121.02946	2.6
123.00006	1.0
123.00888	17.6
124.01716	1.5
125.02451	45.5
127.00429	1.9
133.02956	1.2
135.00879	5.6
135.04561	1.2
136.98779	2.7
137.02425	3.2
139.00375	7.8
140.01178	6.2
145.02930	1.0
147.04514	1.0
149.02356	1.7
149.99577	3.7
151.00377	9.7
151.04002	1.4
152.01154	17.9
153.01917	3.7
154.99834	1.0
158.03764	0.8
159.04544	2.0
161.04564	1.4
163.03975	2.1
165.01939	1.7
166.99844	4.3
168.00633	18.1
169.01434	55.8
170.01730	2.2
175.03975	1.0
177.01909	2.0
179.03429	1.4
181.01442	2.3
181.36188	0.9
187.04015	1.9
189.01831	1.2
193.98569	36.9
194.99353	7.9
195.02922	1.0
211.02493	5.1
213.05554	0.8
215.03499	1.7
231.02908	1.0
237.04071	0.9
243.02895	1.1
243.06575	1.1
257.20648	1.0
259.02426	1.1
271.04562	1.3
292.74570	0.9
296.05283	1.8
297.06116	5.1
313.05637	18.6
315.07220	2.4
357.26416	4.9
358.26868	1.8
359.27060	0.8
403.06360	1.2
422.08493	9.5
449.07233	37.6
450.07370	4.0
466.07516	35.5
467.07809	2.8
511.12207	0.9
513.14124	2.4
519.31592	3.3
521.32385	1.2
557.12970	100.0
558.13263	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	557.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07225	0.6
59.01384	4.4
61.98834	6.4
69.03460	0.9
71.01389	1.8
73.02936	0.8
75.38127	0.5
83.01375	0.7
84.64225	0.5
89.02415	0.6
96.96021	7.1
97.02939	1.0
97.33692	0.5
98.20730	1.4
98.95017	0.8
98.95598	5.1
99.00860	1.5
99.92588	15.7
100.73717	0.5
100.92700	0.7
100.93378	1.8
101.02475	1.1
102.45515	0.5
103.00420	0.7
107.01387	0.8
108.02200	0.6
113.02427	0.9
115.92086	23.1
116.92867	100.0
117.92910	2.9
117.93622	0.7
123.00900	1.7
124.01681	2.6
125.02457	12.8
137.54343	0.5
139.00443	0.7
140.92867	0.8
141.93666	0.7
142.94405	1.1
149.99579	4.7
151.00310	1.4
154.33287	0.5
168.00664	8.7
169.01425	8.7
184.91808	3.4
186.93257	0.7
195.78856	0.5
209.15428	0.6
229.51086	0.7
279.02728	0.6
280.03949	1.1
309.07809	0.5
377.06619	1.2
391.59396	0.6
402.91904	0.7
453.12311	5.2
470.29861	0.6
471.13202	4.4
495.13342	2.5
513.14197	6.1
521.11102	0.8
557.13281	15.0
557.21100	8.9
557.31250	1.2
558.13470	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	557.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01140	4.1
59.01378	38.0
61.98833	54.5
62.31806	3.9
69.44491	25.4
71.01381	15.0
78.95898	16.6
85.02930	5.4
89.02477	10.4
91.01868	5.2
95.01398	6.1
96.95998	25.4
96.96971	12.0
101.02431	12.2
107.01397	5.1
108.02168	5.2
109.02940	6.2
113.02441	8.1
121.02948	31.8
123.00884	14.7
123.04507	58.7
125.02444	80.6
126.02723	4.3
135.00864	8.4
139.00354	4.5
151.00418	3.9
153.01915	16.3
153.05573	73.3
159.52412	3.8
161.04526	4.9
166.99915	4.2
168.00641	6.8
169.01419	100.0
170.01768	5.1
193.98610	4.6
211.13330	5.7
227.07083	9.9
269.04547	12.2
289.70148	3.6
313.05640	8.8
322.23834	3.8
329.03021	5.9
374.50742	4.3
385.79306	4.3
405.06592	8.8
415.12375	5.4
449.07047	17.2
477.21515	5.5
481.06998	7.3
481.56876	5.4
519.31714	19.2
520.31769	6.3
521.20135	11.9
521.32800	5.5
536.34235	4.5
556.30109	7.7
557.14600	24.1
557.29034	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.39
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.6
66.97307	2.4
69.52325	2.5
71.05009	7.0
71.49653	2.4
71.50032	3.3
78.30290	2.5
97.02950	4.4
97.06606	2.6
99.00879	20.8
123.08125	3.4
125.09741	16.3
128.77895	2.2
140.73033	2.6
163.11279	21.7
164.11551	3.5
181.12337	58.1
199.13387	15.1
202.09636	2.8
207.10243	42.3
225.11324	100.0
226.11749	4.2
243.12379	43.6
255.23294	86.4
256.23602	4.4
277.57425	2.6
299.15021	14.9
317.16132	32.2
337.29401	2.7
555.39001	47.5
556.39038	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	556.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.4
61.98817	5.8
69.39189	10.6
71.01370	5.1
85.02951	2.6
87.00870	21.0
87.63133	1.2
89.02441	2.4
101.02428	1.5
107.01383	3.7
111.00886	1.6
113.02422	6.2
123.00867	9.7
123.04601	1.4
125.02441	48.9
132.05824	1.5
137.02448	3.3
139.00375	2.3
140.01176	1.9
151.00372	11.8
151.03963	3.2
165.01854	3.0
168.00601	4.5
169.01411	55.9
170.01787	2.3
177.01892	4.0
179.03445	4.7
205.01491	1.8
211.02449	5.9
211.09389	1.4
223.02556	6.3
239.02008	2.7
259.54230	1.6
271.04626	8.7
313.05640	74.6
314.05920	3.3
331.06570	3.3
493.11963	100.0
494.12396	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	557.1298
Annotation	2,3,4',5-Tetrahydroxystilbene 2-O-beta-D-(3''-O-galloyl)glucopyranoside
Peak:m/z	Relative Intensity
55.01850	1.8
59.01384	14.3
61.98827	16.8
65.00322	2.3
67.01885	2.6
69.03450	2.7
70.67033	1.4
71.01394	8.8
71.51268	1.2
73.02926	2.1
79.01837	1.7
83.01398	2.7
85.02963	3.4
89.02448	2.9
90.77808	1.3
91.01901	20.7
93.03445	5.2
93.24671	1.2
95.01385	3.3
97.02938	3.1
101.02433	4.0
107.01392	14.1
108.02180	27.6
109.02953	22.2
111.00889	1.8
111.13815	1.5
113.02482	3.7
121.02954	2.8
123.00874	26.9
124.01689	4.0
125.02451	68.6
135.00899	20.1
136.98801	1.8
137.02452	19.9
139.00343	4.3
140.01151	4.2
145.02815	1.6
149.99541	3.0
151.00342	14.4
151.03983	2.0
152.01154	27.5
153.01941	17.4
168.00626	9.3
169.01424	90.0
170.01782	2.5
171.04498	1.5
179.75226	1.4
180.64391	1.3
183.02933	1.9
191.03458	1.4
193.98567	30.6
194.99333	39.7
195.99600	1.5
197.06088	2.3
211.02568	2.7
213.05630	1.4
215.03587	1.9
243.02856	5.0
243.06612	100.0
244.06937	5.6
286.01089	1.8
287.01956	4.9
297.06201	1.5
313.05649	76.6
314.06207	2.8
315.07263	10.4
405.11978	18.6
449.07266	99.7
450.07617	9.7
466.07468	26.0
467.07913	2.0
557.12994	94.0
557.29236	6.1
558.13293	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	557.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97813	0.8
56.52072	0.8
59.01370	4.0
61.98834	2.2
65.00329	1.1
65.03976	3.2
67.01895	2.4
69.16928	7.6
69.17336	2.2
71.01382	7.0
72.99306	1.2
78.95909	1.2
83.01360	1.0
85.02916	1.3
87.00877	1.1
89.02429	1.3
91.01895	28.8
95.01411	2.1
96.96027	5.3
96.96964	1.2
97.02946	0.9
101.02460	2.5
107.01385	8.4
109.02949	31.4
111.00867	2.4
123.00877	14.5
123.04487	1.4
124.01675	2.4
125.02442	47.2
128.17964	0.8
133.02992	1.5
135.00885	64.2
136.01213	1.9
136.98810	1.0
137.02451	2.7
139.00397	5.0
140.01132	3.1
141.01894	1.1
149.02435	1.7
149.99519	1.9
151.00375	8.0
153.01932	70.8
154.02275	1.7
161.02417	1.0
166.99847	1.6
167.03477	1.4
168.00601	8.3
169.01416	62.5
169.82529	0.8
170.01746	1.4
173.02243	1.3
177.01868	1.3
185.02446	9.3
193.01414	1.1
193.98543	23.2
194.99266	3.0
199.04057	1.0
211.02530	1.8
241.01402	2.0
242.02223	7.8
243.02962	14.3
262.49704	1.0
269.00891	18.7
270.01114	1.4
287.02179	5.7
313.05630	36.5
314.05780	1.0
315.07388	1.7
329.03015	19.4
329.23270	1.0
330.03329	1.1
359.04025	2.0
389.05151	27.5
390.05444	1.8
422.08490	12.9
449.07220	100.0
450.07526	6.7
466.07544	10.7
513.14307	1.7
521.33136	2.4
557.12994	61.7
557.31586	4.2
558.13104	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	555.2841
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
55.34181	0.5
59.01385	0.9
61.97374	0.4
61.98827	2.5
63.96232	1.0
66.70499	0.4
66.92840	0.4
68.48871	0.4
71.01382	6.1
71.26508	1.0
73.02946	1.4
78.98592	5.5
79.95731	8.6
80.96516	60.4
81.03456	0.8
85.02938	2.1
87.00874	2.6
94.98083	13.8
95.01374	0.4
96.96005	0.7
97.02966	1.1
99.00844	0.5
99.90374	0.5
101.02422	2.5
106.98074	3.1
122.97588	4.4
125.02438	3.1
127.03965	0.6
134.97583	4.0
136.99146	1.2
148.99139	5.4
152.98648	6.5
164.97321	0.9
164.98619	10.1
182.99657	1.6
206.99698	2.2
225.00719	17.2
243.01759	1.3
255.23206	2.8
299.04373	3.5
359.18353	0.5
555.28387	100.0
556.28711	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	554.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67146	0.2
55.07314	0.2
57.09185	0.3
59.01380	20.8
61.98845	0.3
64.41609	0.2
67.13943	0.3
69.19512	2.4
74.23515	0.2
78.95904	20.6
87.96854	0.3
88.90939	0.2
96.38052	0.3
111.06264	0.3
122.98544	0.4
152.99556	2.6
168.04298	3.2
224.06918	7.9
242.08046	1.7
255.23277	100.0
256.23618	5.8
317.26138	0.3
350.57333	0.3
409.79703	0.3
446.06302	0.3
480.30939	61.7
481.31305	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	554.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	12.3
61.98812	2.9
64.40285	0.8
64.65223	0.8
64.85847	0.8
65.08170	0.7
71.43934	0.8
71.50643	1.0
74.06445	0.8
78.95895	5.0
80.96528	3.6
82.71949	0.8
94.98097	0.9
107.53596	0.8
128.60846	0.8
133.45341	0.8
152.99628	1.4
153.83365	0.9
168.04279	1.1
178.90533	0.8
182.40088	0.8
242.07890	2.3
255.23273	100.0
256.23581	4.7
370.99350	0.8
480.30960	26.5
481.31256	2.9
554.27374	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	555.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25776	2.2
55.42469	2.5
59.80596	2.1
60.18344	2.0
69.52244	4.0
69.52649	8.7
88.98814	9.0
89.95609	2.1
96.96010	2.6
109.71416	1.9
125.02338	2.5
139.00279	2.3
140.01149	3.9
156.99960	2.0
158.68857	2.6
165.09166	2.8
168.00659	5.7
183.02971	100.0
184.03307	3.0
195.50946	2.4
209.08127	6.7
371.13278	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	554.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18061	0.3
59.01370	1.9
61.98830	100.0
63.99292	0.4
65.00323	0.5
69.05212	0.4
71.01400	0.9
71.52335	0.5
71.63096	0.3
72.99322	0.6
73.02954	0.4
75.00875	0.4
83.01404	0.4
85.02966	0.7
90.65665	0.3
93.03493	0.9
94.03798	0.4
97.02970	0.4
101.02451	0.7
107.01403	0.8
107.05119	0.3
108.02209	1.5
109.02966	1.0
113.02474	0.4
116.92889	0.9
117.70500	0.3
119.05072	1.6
120.05354	0.4
120.15993	0.3
123.00895	0.6
125.02480	1.3
130.08755	0.4
135.04561	0.6
137.02457	1.9
138.02841	0.7
151.00389	3.2
151.43265	0.3
152.00943	1.1
153.00691	0.4
153.01868	0.4
161.02472	0.7
169.01453	1.2
271.06165	3.0
272.06461	2.9
282.07114	0.4
392.25665	0.4
393.26602	0.5
554.14423	0.6
554.22742	2.6
555.29791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
60.13258	0.4
61.98827	0.7
62.40479	0.3
69.97112	1.5
78.95899	6.3
98.20007	0.4
152.99579	1.2
168.04305	1.4
224.06903	1.0
242.07982	3.0
261.22202	0.5
277.29053	0.4
279.23285	100.0
280.23599	6.5
288.07092	0.4
400.42783	0.4
504.30984	30.2
505.31152	2.7
508.74371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.2
61.98827	1.1
64.06745	0.5
78.95907	25.2
80.96529	1.4
86.96183	0.5
108.87536	0.5
138.49097	0.5
152.99596	2.7
161.29482	0.5
166.51442	0.5
168.04312	2.9
210.90166	0.5
224.06941	8.6
242.08014	2.8
279.23282	100.0
280.23633	6.1
339.47015	0.5
504.30972	68.8
505.31305	6.8
554.27008	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	553.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08038	0.7
54.23268	0.7
55.52975	0.7
57.03445	1.2
68.99567	0.7
69.03452	10.6
71.01393	1.7
71.05012	2.7
71.24911	0.8
71.25259	1.2
74.66994	0.7
83.05025	1.3
97.06593	1.5
98.75814	0.7
123.08128	2.6
125.09708	4.3
137.09726	1.8
149.09698	1.1
151.11282	6.0
153.12819	1.9
161.08479	1.1
161.09714	11.9
174.52733	0.7
179.10771	38.9
180.11104	1.4
197.11826	94.6
198.12154	3.1
223.09834	4.9
241.10794	16.6
255.23286	100.0
256.23660	5.0
297.13403	7.9
315.14465	17.2
316.14749	1.5
378.82663	0.7
525.27588	1.4
553.37476	85.0
554.29340	1.5
554.37665	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	554.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92699	11.1
51.69901	11.1
59.01369	35.6
61.44050	9.5
61.98832	63.2
71.50354	12.8
71.50784	12.6
97.29607	12.5
101.02453	10.1
113.02560	12.3
117.20551	9.3
125.02412	22.3
125.34892	12.1
147.00885	12.4
158.59938	11.7
169.01410	22.3
172.12370	10.5
175.00307	20.2
176.01126	14.6
191.56447	10.6
202.56136	10.0
202.99834	21.3
235.02399	18.9
235.13419	26.5
246.98801	25.0
279.01453	100.0
301.00043	18.5
391.24734	22.6
392.25198	12.7
393.26291	52.5
491.11707	27.0
533.74847	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	553.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80577	0.7
54.07262	0.7
54.98066	0.7
57.03447	4.4
58.00592	1.2
59.01378	20.8
59.77200	0.8
61.98817	0.8
66.99364	0.7
69.03463	1.3
69.99609	2.3
70.00018	1.1
71.01386	10.7
71.05011	1.3
73.02949	2.1
73.24120	0.7
80.96523	1.0
83.01381	0.9
85.02946	3.2
88.98808	1.6
89.02446	17.2
93.03465	0.8
97.02925	1.3
99.00871	0.9
101.02448	8.2
107.01405	1.2
109.02964	1.5
111.00897	1.0
113.02465	2.4
119.03539	0.8
121.02914	0.9
123.00875	2.6
123.04452	1.4
124.01685	1.6
125.02447	11.9
129.64290	0.7
131.03519	9.5
137.02458	1.3
139.00357	1.2
149.04564	6.9
149.99599	0.9
151.00381	1.3
153.12848	1.7
157.94394	0.7
168.00642	3.7
169.01450	8.2
191.05530	4.4
199.13405	100.0
200.13766	3.9
211.02451	1.4
217.03305	0.7
221.06960	0.7
271.04657	1.5
271.56784	0.7
293.08755	4.5
403.11884	1.0
405.12854	2.5
493.22839	2.7
553.15582	2.7
553.21826	1.2
553.32251	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	553.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67096	0.7
52.37550	0.7
54.32507	0.7
59.01387	6.7
60.44750	0.8
61.98833	20.4
65.27516	0.7
69.03457	1.4
71.01382	5.3
73.02938	4.2
81.03468	2.5
84.94425	0.7
85.02956	4.5
89.02426	1.3
90.12379	0.7
91.01887	1.7
93.03460	2.1
95.01402	4.2
101.02430	2.7
107.01375	1.1
108.02179	73.7
109.02964	45.3
110.03252	1.6
113.02464	2.3
121.02940	1.4
123.00877	3.4
123.04495	3.5
123.73129	0.8
125.02429	5.0
135.00900	4.1
135.04491	1.1
137.02441	2.5
139.00406	0.9
143.84471	0.8
151.03862	0.8
152.01157	71.2
153.01938	25.4
153.05540	2.5
161.04601	1.8
163.04021	1.5
165.01976	1.2
168.00635	1.7
169.01414	5.0
211.02313	0.9
211.13353	1.3
229.14333	1.2
255.15892	1.0
271.04742	1.0
315.07312	5.3
331.15472	1.8
339.07184	4.2
357.08255	7.7
391.24780	2.9
445.09845	2.5
535.21857	5.9
536.22009	1.3
553.22888	100.0
554.23315	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	553.2291
Annotation	TMC 2B
Peak:m/z	Relative Intensity
51.67096	0.7
52.37550	0.7
54.32507	0.7
59.01387	6.7
60.44750	0.8
61.98833	20.4
65.27516	0.7
69.03457	1.4
71.01382	5.3
73.02938	4.2
81.03468	2.5
84.94425	0.7
85.02956	4.5
89.02426	1.3
90.12379	0.7
91.01887	1.7
93.03460	2.1
95.01402	4.2
101.02430	2.7
107.01375	1.1
108.02179	73.7
109.02964	45.3
110.03252	1.6
113.02464	2.3
121.02940	1.4
123.00877	3.4
123.04495	3.5
123.73129	0.8
125.02429	5.0
135.00900	4.1
135.04491	1.1
137.02441	2.5
139.00406	0.9
143.84471	0.8
151.03862	0.8
152.01157	71.2
153.01938	25.4
153.05540	2.5
161.04601	1.8
163.04021	1.5
165.01976	1.2
168.00635	1.7
169.01414	5.0
211.02313	0.9
211.13353	1.3
229.14333	1.2
255.15892	1.0
271.04742	1.0
315.07312	5.3
331.15472	1.8
339.07184	4.2
357.08255	7.7
391.24780	2.9
445.09845	2.5
535.21857	5.9
536.22009	1.3
553.22888	100.0
554.23315	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	553.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94127	0.5
55.01869	1.4
57.78062	0.5
59.01379	7.8
60.76878	0.5
60.99294	1.1
61.98832	4.1
65.00342	0.5
67.01881	2.1
68.99823	0.6
69.03448	1.7
69.76810	2.7
71.01382	7.0
71.87119	0.5
72.99296	1.7
73.02942	1.8
75.93865	0.5
79.01894	2.2
80.91695	0.5
81.03441	0.5
83.01376	1.7
85.02945	2.5
87.00851	1.1
88.98803	6.9
89.02435	2.4
93.03458	0.6
93.79235	0.5
95.01395	3.5
96.96010	1.1
97.02953	1.4
99.00883	1.0
101.02440	3.2
104.78739	0.5
107.01388	11.9
109.02925	1.2
110.00101	0.9
111.00883	5.2
113.02434	2.5
119.03514	0.8
121.02948	1.0
122.06113	1.2
123.00887	21.8
123.04500	0.8
124.01638	2.6
125.02449	42.6
126.02733	0.9
127.00336	2.1
136.98816	3.2
137.02437	1.1
139.00386	8.9
139.04004	1.4
140.01164	7.9
141.01953	2.4
147.26712	0.4
149.02446	0.8
151.00365	12.3
152.07159	2.1
153.01889	1.3
154.99892	0.6
165.01865	0.9
165.05595	0.5
166.99821	2.2
167.03416	1.0
168.00655	14.0
169.01427	51.3
170.01727	1.8
177.04044	0.9
179.03432	1.0
181.01436	0.6
183.02904	1.3
191.03491	0.5
193.01318	0.8
209.08173	1.0
211.02473	38.9
212.02859	1.3
241.03528	2.2
265.06482	0.6
269.02991	0.5
271.04578	51.2
272.04971	2.4
281.09232	1.4
293.09354	0.8
301.03424	2.3
313.05627	1.7
329.05035	0.7
331.06641	1.6
348.72620	0.6
357.08194	0.8
366.56079	0.5
401.14273	0.8
446.17035	1.1
463.08835	2.0
476.56375	0.7
478.19501	1.1
521.20117	3.3
522.18915	1.5
535.18042	1.6
553.19214	100.0
554.19476	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	553.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85982	0.5
59.01377	2.3
61.98829	82.8
62.99260	0.7
69.03455	1.3
71.01395	1.7
71.28892	1.0
71.29222	0.7
72.99311	0.7
73.02933	0.6
81.03459	2.0
85.02950	0.9
87.00869	0.5
89.02430	1.6
93.03467	1.4
95.01388	8.3
97.02943	1.4
100.18539	0.5
101.02448	1.1
107.01394	6.4
107.05021	0.8
108.02177	2.4
109.02963	3.5
113.02445	1.0
119.05074	0.7
121.02957	2.9
123.00905	7.4
123.04526	1.7
124.01666	5.3
125.02451	15.5
131.03484	0.6
133.02916	0.9
135.00870	1.3
135.04561	1.1
136.01746	0.8
137.02428	4.8
141.01900	1.6
149.02420	1.2
149.99583	39.8
151.00371	29.7
151.04021	1.3
152.01108	1.0
153.01913	1.3
161.02432	0.9
163.00365	2.8
163.04002	0.7
165.01936	4.1
167.03508	0.8
168.00633	16.0
169.01407	13.2
171.50821	0.6
178.99736	0.6
179.03499	1.4
181.01439	0.9
190.99979	0.5
191.03442	1.2
193.01411	5.2
200.01183	0.7
205.01379	0.8
211.02585	0.7
249.54926	0.6
313.05621	0.8
315.68979	0.5
318.46521	0.6
391.24652	0.7
427.08502	0.6
445.09839	100.0
446.10199	7.5
553.22821	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	553.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	1.1
56.86985	0.8
57.03426	1.4
58.00567	0.9
59.01376	20.9
60.27238	0.7
61.18919	0.8
61.98820	4.3
63.96218	2.0
67.01867	2.5
68.99783	0.9
69.03444	1.0
69.18950	8.1
71.01022	1.1
71.01380	17.9
72.99284	3.4
73.02935	5.3
74.99079	1.8
75.00874	5.3
79.01883	1.9
79.21761	0.7
83.01360	2.8
83.04999	0.7
85.02952	12.6
87.00849	2.6
87.04486	1.0
88.98765	2.3
89.02443	11.9
93.03444	1.8
95.01379	5.2
96.96017	1.0
97.02921	2.0
99.00842	2.2
101.02454	10.0
107.01387	16.4
108.02180	3.6
109.02943	3.6
111.00875	5.4
113.01863	0.7
113.02443	8.5
117.97279	1.2
119.03452	3.3
120.99583	1.3
121.02969	5.7
123.00014	1.1
123.00887	20.5
123.04449	1.0
124.01638	3.3
125.02448	64.6
126.02718	2.1
126.19100	0.8
127.00331	3.1
131.03461	1.7
135.98293	2.5
136.01654	1.6
136.98871	4.0
137.02379	1.4
137.09659	1.0
137.19559	0.7
138.03172	2.6
139.00366	8.3
139.03972	1.7
140.01155	6.7
141.01889	1.8
143.03365	1.0
149.02422	1.4
151.00377	13.6
151.03931	2.4
152.01170	4.3
153.01917	4.2
153.05510	3.4
154.99814	0.7
160.01561	1.0
161.02484	1.1
161.04454	2.7
163.03952	0.9
165.01930	5.9
165.05487	1.2
166.99805	1.1
167.03439	2.1
168.00627	18.5
169.01416	79.6
170.01730	3.0
177.01816	2.9
179.03450	1.3
179.05553	2.2
181.04846	0.9
181.12299	1.2
183.03036	0.9
183.10144	0.9
193.01343	2.7
203.12749	1.4
211.02466	61.8
212.02748	2.4
217.14349	1.3
221.08089	2.1
225.11166	2.9
229.01335	1.0
229.14363	1.0
233.14000	1.5
241.03484	2.3
242.06194	0.7
243.12326	2.2
245.00681	0.8
257.00967	1.3
271.04568	100.0
272.04959	4.1
274.00739	0.8
275.01935	5.2
283.04611	5.4
300.99759	4.8
313.05478	2.4
315.07065	1.1
321.08798	0.8
331.06711	20.4
349.18677	0.9
359.07620	2.5
379.09897	0.8
379.19662	6.6
391.10242	1.0
391.27002	0.9
401.10629	4.2
405.17285	2.1
454.54395	1.8
455.05072	1.7
491.08090	1.8
509.16431	0.9
535.14270	1.0
535.30988	1.5
553.15381	91.7
553.31744	8.2
554.15924	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	552.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42080	0.2
59.01385	0.5
61.98829	100.0
69.31230	1.4
71.01394	0.5
86.16085	0.2
89.02442	0.3
94.29809	0.2
95.01395	0.5
96.96014	0.3
101.02494	0.2
107.01416	0.6
108.02201	0.3
117.76827	0.2
121.02940	0.2
123.00893	0.7
124.01596	0.2
125.02453	1.3
131.03510	0.2
137.02451	0.6
139.00339	0.3
140.01207	0.2
149.99599	2.1
151.00377	1.9
161.04454	0.2
161.84158	0.2
165.01993	0.3
168.00700	0.8
169.01450	1.9
193.01424	0.4
211.02527	0.2
248.58398	0.2
296.09271	0.3
370.20724	0.2
391.24945	0.2
445.09869	6.0
446.87823	0.2
505.76828	0.2
552.25745	1.1
553.23041	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16824	0.4
59.01378	0.8
61.98826	0.9
63.14487	0.4
68.62009	0.4
70.49462	0.4
78.95907	7.4
80.85366	0.4
115.99696	0.4
130.75551	0.4
152.99568	0.8
168.04288	1.5
189.88031	0.4
207.71826	0.4
224.06837	0.5
242.07961	3.3
275.20123	0.5
277.21710	100.0
278.21994	5.8
302.78253	0.4
454.63773	0.4
502.29404	34.4
503.29797	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	553.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40248	2.0
59.01379	4.7
60.99302	12.4
69.36523	17.5
71.01376	4.0
73.93399	1.9
86.33499	2.0
88.98814	66.1
89.02434	4.2
98.20724	2.7
101.02421	4.2
107.01398	11.5
113.02446	3.2
119.62587	2.1
123.00893	9.6
125.02448	24.8
139.00371	3.1
151.00386	11.7
152.01262	3.4
169.01448	37.8
178.99753	2.2
184.79178	3.0
200.77110	2.0
211.02335	3.9
211.04140	2.4
227.03700	2.7
243.02969	4.0
255.02962	15.3
271.02368	27.2
271.04794	5.0
299.99390	4.1
300.02777	77.0
301.03452	37.2
463.08847	100.0
464.09082	7.9
513.48212	2.1
553.15411	37.3
553.22711	2.2
553.32727	6.3
554.15790	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.6
58.00591	1.6
59.01111	2.5
59.01380	32.8
60.64182	1.3
61.98825	14.0
69.03453	2.5
70.99372	2.7
70.99704	1.7
71.01385	26.6
72.99308	2.9
73.02929	7.7
75.00878	2.3
83.01358	3.2
83.84067	1.3
85.02946	7.2
86.05729	1.3
87.00869	5.8
88.98804	5.8
89.02437	19.0
93.03460	2.9
95.01397	4.2
96.96007	1.8
97.02942	1.5
97.06615	1.9
97.92686	1.5
101.02442	21.0
107.01373	2.7
108.02177	7.6
109.02941	5.5
110.03312	1.9
111.08143	3.5
113.02426	9.7
119.03514	4.4
119.05022	10.0
121.02927	1.6
123.00873	5.6
123.04488	1.7
125.02454	12.7
131.03485	2.6
133.02936	1.4
135.04547	2.0
137.02460	10.7
138.02805	1.4
139.00337	6.7
139.03996	1.7
141.01935	1.4
149.04486	1.4
151.00305	3.0
152.01221	6.7
153.01945	2.7
155.25708	1.8
161.02457	5.0
161.04532	3.1
163.04071	6.7
165.12846	32.8
167.14398	1.9
168.00616	5.2
169.01450	13.9
173.11795	3.6
179.03481	1.8
179.05626	2.6
181.01474	2.0
183.02953	3.3
183.13890	100.0
184.14232	4.1
185.11873	1.5
189.68695	1.4
193.08717	1.5
197.11812	1.9
197.15480	15.6
203.12852	7.5
207.13879	5.7
209.11821	8.8
211.02489	2.2
217.14424	4.5
225.14868	7.6
227.12872	98.2
228.13188	5.2
251.12811	4.0
269.13889	11.1
271.04807	1.9
299.15021	12.7
329.16016	33.9
330.16446	1.6
341.10855	5.8
365.18137	22.3
379.19644	9.9
380.20093	1.4
389.18173	65.9
389.22842	2.5
390.18433	5.5
471.97836	1.7
533.23169	1.7
551.23254	55.2
551.31055	11.1
552.23779	7.1
568.29297	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	551.2478
Annotation	Fischeroside A
Peak:m/z	Relative Intensity
50.78222	0.3
52.32600	0.3
53.07874	0.3
56.38595	0.3
59.01385	3.8
61.98832	6.6
65.53947	0.3
67.01900	0.7
69.03471	0.5
70.35928	0.4
71.01389	3.0
72.99304	0.7
73.02948	0.5
75.00887	0.7
78.95934	0.4
79.01904	1.1
83.01411	0.9
85.02949	1.0
88.10727	0.3
89.02453	1.3
95.01404	2.1
96.99329	0.3
97.02943	0.7
101.02453	1.6
107.01399	4.7
109.02955	0.6
109.09753	0.4
110.00063	0.4
111.00872	2.5
113.02436	1.0
119.04990	0.4
120.99607	0.6
123.00892	13.9
123.04474	0.5
124.01665	0.8
125.02448	16.7
127.00386	0.7
135.04526	0.5
136.98808	1.4
137.02448	1.0
139.00377	6.2
140.01183	3.7
141.01944	1.6
151.00371	10.2
152.00764	0.5
152.99530	0.5
153.01974	0.9
163.04021	0.7
168.00632	4.1
169.01431	24.6
170.01765	1.0
177.04079	2.7
209.11813	0.4
211.02483	2.8
231.17484	0.5
257.21231	1.1
271.04703	1.9
289.17981	0.4
313.05637	0.9
329.05081	0.5
362.35129	0.4
371.22299	0.5
389.23657	1.6
551.25055	100.0
552.25354	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	551.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55054	0.5
59.01380	14.3
59.75535	0.5
71.01379	2.5
83.01391	0.6
83.69600	0.5
85.02939	1.2
89.02414	2.8
89.78867	0.5
98.19872	1.4
101.02441	2.8
113.02409	1.2
119.03493	0.5
153.32671	0.5
161.04491	0.9
173.03122	0.6
235.08107	2.7
243.62639	0.5
253.09250	11.5
255.23276	100.0
256.23669	6.3
400.17822	0.6
483.35995	0.5
561.00983	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.6
61.98821	1.3
66.81323	0.3
71.01402	0.8
72.00913	6.8
74.02474	9.0
87.00876	0.4
88.11726	0.3
89.02426	0.6
89.51572	0.3
95.01385	0.5
96.57799	0.3
96.96021	1.3
101.02447	0.3
116.05066	32.8
117.05381	0.9
123.00951	0.4
125.02454	1.1
130.06636	0.9
137.02454	0.6
142.06636	9.1
143.06975	0.6
157.07764	0.5
159.09279	6.9
161.04831	0.5
169.01419	1.1
186.05600	1.4
203.08263	100.0
204.08595	3.5
300.99808	0.6
347.17300	0.7
489.12427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.1
57.03440	3.4
58.00600	1.8
59.01379	37.2
60.99308	1.7
61.98832	17.1
67.01910	1.7
68.17527	1.3
71.01382	30.3
71.05022	1.1
71.52282	1.4
72.99313	2.3
73.02944	6.7
75.00879	4.1
83.01403	4.5
85.02953	10.0
87.00883	5.5
88.98801	6.2
89.02444	23.6
91.92821	1.2
93.03461	5.5
95.01402	2.5
96.13965	1.2
97.02958	2.7
97.06577	1.3
99.00881	1.9
101.02441	20.8
107.01382	2.7
108.02177	11.0
109.02952	9.1
111.00923	1.4
111.08179	1.7
113.02453	12.4
119.03529	6.1
119.05029	9.6
121.02988	3.5
123.00896	6.6
123.04528	2.6
124.01615	1.6
125.02442	12.4
127.11261	1.7
131.03497	3.6
133.02945	2.6
135.04512	1.8
137.02449	15.5
138.02812	1.6
139.00366	6.7
139.03963	1.3
140.01196	1.6
143.03526	2.1
149.04559	1.3
151.00352	1.9
152.01166	8.3
153.01909	4.1
153.05591	2.3
161.02426	5.2
161.04555	4.1
163.04057	6.5
165.01939	1.7
165.05554	1.2
165.12840	39.3
168.00670	3.9
169.01407	13.4
172.82578	1.2
173.11824	4.8
179.03421	1.4
179.05661	2.8
179.10793	1.4
181.01450	1.5
182.02077	1.5
183.03027	3.6
183.13896	95.5
184.14240	4.9
185.11816	2.2
191.05652	1.6
195.13907	1.7
197.15482	10.3
203.12868	4.4
207.13849	7.2
209.11821	7.6
211.02441	1.7
217.14468	11.2
225.15010	5.9
227.12881	100.0
228.13225	3.4
241.14447	1.5
251.12961	5.9
269.13953	11.4
271.04666	2.8
299.14923	6.4
301.20352	1.9
312.93103	1.3
329.16071	37.5
330.16376	2.8
341.11002	8.5
365.18250	24.5
371.16617	1.7
379.19626	13.9
389.18198	67.4
390.18506	4.4
453.19077	2.2
533.22375	1.4
551.23029	64.2
551.31104	10.6
552.23309	7.2
552.30774	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	551.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.4
58.00564	1.3
59.01374	12.1
61.98837	11.0
64.63978	1.0
69.03446	2.0
71.01382	9.8
71.52321	1.5
72.99306	3.7
73.02938	4.1
75.00861	2.0
79.01888	2.1
81.03447	1.1
83.01382	1.4
85.02952	7.6
88.98817	2.4
89.02435	3.4
93.03456	1.8
95.01371	3.7
98.42712	1.0
99.00867	1.6
101.02460	5.2
101.03013	1.0
103.00217	0.9
107.01363	4.8
108.02174	83.8
109.02956	42.2
109.06576	3.3
113.02444	3.5
119.05025	4.8
121.02934	2.2
123.00876	15.7
123.04528	2.7
124.01710	1.3
125.02448	16.5
127.96008	1.0
135.00905	1.2
135.04526	1.0
136.98834	1.1
137.02451	3.3
139.00356	6.2
140.01105	3.7
141.01962	1.0
145.02942	4.4
150.03180	1.4
151.00337	9.8
151.03976	1.5
152.01152	66.5
153.01947	18.6
153.05553	4.9
161.02322	1.3
161.04651	1.3
161.06053	2.9
163.03955	7.2
165.01849	1.2
168.00604	3.9
169.01425	23.7
177.05455	1.7
179.03517	1.6
181.01465	1.3
181.12370	1.7
183.06696	1.3
197.06084	6.6
205.05022	3.9
211.02354	1.1
217.64323	1.0
219.10225	1.2
221.42993	1.1
225.11240	6.8
235.06042	2.7
243.06506	1.2
265.07144	4.3
313.05539	2.7
315.07196	4.6
325.09372	1.2
389.23404	2.0
405.17374	2.0
433.07898	1.2
443.12341	1.2
551.22015	100.0
552.24158	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	551.2135
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
51.21932	0.5
53.89483	0.4
55.01865	0.6
58.00587	0.7
59.01380	6.7
61.98834	5.2
67.01878	2.2
69.03432	1.0
69.31659	0.5
69.31979	4.3
71.01385	6.0
72.91922	0.5
72.99319	1.3
73.02933	1.6
74.04432	0.4
79.01889	2.7
81.03412	0.7
83.01370	1.0
85.02946	2.1
89.00658	0.5
89.02432	2.0
93.03437	0.6
93.19893	0.5
95.01389	3.1
95.05005	0.5
97.02950	0.9
99.04463	0.5
100.46603	0.5
101.02438	2.8
107.00723	0.7
107.01390	8.8
109.02948	0.8
111.00851	1.3
113.02457	2.4
123.00889	26.9
124.01640	2.0
125.02447	32.7
126.02728	0.6
130.18971	0.5
135.04472	0.5
136.98833	0.9
137.02452	1.8
139.00377	7.8
140.01132	2.2
141.01945	2.5
150.99197	1.0
151.00369	17.9
151.01590	1.0
153.01933	1.8
163.14880	1.3
165.01993	1.1
166.99768	0.8
167.03549	1.0
168.00648	3.6
169.01418	55.8
170.01711	2.1
181.01393	0.7
183.02925	1.1
193.01370	1.4
197.04593	0.6
211.02486	8.6
212.64127	0.5
219.13748	1.4
223.16711	0.6
237.14847	0.9
251.16537	1.2
253.03532	1.3
261.14899	4.5
271.04602	0.8
279.16080	0.6
313.05640	2.9
331.06586	1.5
339.74896	0.6
345.63864	0.5
389.23361	1.1
399.20349	0.6
412.10110	0.6
416.00046	0.6
428.57657	0.6
491.19025	0.9
551.21289	100.0
552.21570	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	551.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11151	0.4
59.01376	1.7
60.99298	3.6
61.66539	0.4
61.98831	6.8
71.01375	1.1
71.52610	0.5
83.07410	0.6
85.02937	0.5
87.00896	0.7
88.98801	23.3
89.02444	7.8
93.03458	45.7
94.03777	0.9
101.02410	0.7
108.02183	3.2
109.02958	1.8
123.04528	0.5
125.02444	1.5
137.02443	100.0
138.02744	2.9
152.01144	1.9
153.01903	1.0
153.05525	0.8
169.01414	2.1
389.23459	0.6
551.20819	5.7
552.22150	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.6
56.73247	0.4
57.03439	0.7
59.01379	5.3
61.98811	0.9
69.03465	0.6
71.01386	6.0
72.99284	0.7
73.02941	1.0
75.00882	1.1
80.89104	0.5
83.01393	0.7
85.02946	2.1
87.00883	1.2
89.02451	4.4
93.03441	0.6
95.01411	1.0
98.20640	1.7
99.00882	1.3
101.02431	3.2
107.01387	1.8
111.00903	0.8
113.02444	1.4
119.03463	0.6
121.02982	2.6
123.00873	2.6
124.01664	0.7
125.02448	10.8
129.01921	0.5
131.03514	1.2
137.02437	0.9
139.00388	1.6
145.02937	1.5
146.88347	0.5
147.04500	2.1
149.04579	0.7
151.00357	1.2
161.04561	1.4
163.03993	4.8
164.04607	0.6
165.01892	1.3
167.03583	0.5
168.00624	0.9
168.04262	0.6
169.01421	15.9
173.02434	0.5
174.03198	2.9
175.03995	13.1
176.04755	3.4
177.04037	4.5
177.05566	1.6
177.42825	0.5
179.03506	1.2
180.04274	9.1
181.04912	0.8
183.06317	0.5
188.04779	2.9
189.05563	5.4
190.06335	20.3
191.03497	0.6
191.07129	13.8
192.04289	1.0
192.07445	0.7
193.05031	8.5
194.05844	6.2
197.11853	5.9
202.53815	0.6
203.07123	1.7
205.08691	15.6
206.09009	0.7
207.06610	5.9
208.05385	0.7
208.07390	13.2
211.02472	0.9
222.08914	1.3
223.09764	1.2
265.30872	0.5
293.08774	0.7
313.05472	0.8
324.53024	0.6
329.05130	1.2
344.12741	3.3
359.14984	100.0
360.15366	7.0
389.16061	2.3
399.12912	23.2
400.13422	1.4
403.12430	5.5
404.12799	0.7
491.21411	0.6
507.18481	0.7
551.30743	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	551.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07820	0.9
59.01382	10.6
61.98829	58.5
67.01920	1.3
69.03422	1.4
69.40917	1.0
71.01376	9.6
71.51917	1.1
71.52301	1.4
73.02948	2.2
75.00870	1.1
78.95906	2.2
79.01900	1.7
83.01389	1.5
83.05083	1.1
85.02950	4.0
88.98816	2.6
89.02443	4.2
95.01368	3.1
95.04919	1.2
96.95993	2.7
97.02963	2.5
101.02438	4.9
105.73180	0.9
107.01386	9.8
108.02182	7.4
109.02943	3.3
109.06557	1.4
111.00883	4.5
113.02447	5.4
118.49496	1.0
119.05010	1.4
121.02962	2.0
122.03702	3.8
123.00880	15.5
123.04542	15.5
124.01665	2.8
125.02444	57.5
126.02747	1.6
127.12135	1.0
132.07112	1.0
133.02927	1.0
135.04500	3.3
136.01620	1.7
136.98807	2.5
137.02428	3.4
137.06129	1.1
139.00357	6.5
139.03999	1.2
140.01157	4.6
141.01907	2.3
151.00362	13.3
152.01102	3.7
153.01918	3.5
153.05568	15.8
157.38799	1.0
161.04523	1.7
163.04027	1.5
166.99799	1.4
168.00642	5.6
169.01418	82.3
170.01759	2.1
177.01848	1.4
179.03508	1.2
183.02812	1.6
191.10793	1.5
191.22063	1.0
193.12328	5.6
197.06120	1.3
211.02472	3.7
219.10246	67.2
220.10556	3.9
225.11264	1.2
237.11304	71.4
238.11546	4.2
241.03520	1.5
271.04691	2.5
313.05618	31.2
314.05771	2.0
367.12839	1.1
389.23279	3.6
399.16422	12.0
400.16537	1.4
400.59372	1.1
485.83340	1.2
494.40427	1.2
551.17017	100.0
552.17548	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	550.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61632	1.9
59.01380	19.4
61.98835	24.2
65.64520	2.0
65.71867	2.1
69.03481	2.1
69.50699	2.3
69.51019	15.6
71.01391	14.8
73.02941	5.0
73.41957	2.6
75.02440	1.8
85.02951	7.7
89.02446	10.6
93.03468	3.5
95.01362	3.4
101.02453	10.6
102.30778	2.0
107.01419	2.5
108.02223	4.2
109.02976	9.9
113.02418	5.9
116.92862	2.5
117.03434	2.5
119.03483	3.1
119.05015	4.9
120.87759	2.0
121.02970	4.0
125.02467	12.2
131.03441	3.8
133.02962	37.7
134.03242	3.0
135.04498	7.7
136.04808	2.4
137.02457	12.9
137.47949	2.0
145.02925	4.1
149.04521	3.3
152.01140	4.3
161.02449	100.0
161.04575	4.8
162.02786	17.8
163.03972	2.7
168.00685	2.8
169.01451	18.7
173.11882	2.4
179.03503	4.3
181.01405	3.4
182.99406	2.7
183.02965	16.5
191.05646	2.4
215.12981	2.1
335.04071	6.2
365.17914	2.6
400.53928	2.4
405.43863	2.4
474.05872	2.3
487.21750	2.6
493.17270	2.1
549.23364	48.5
549.31177	2.8
550.23914	37.7
550.31628	4.1
551.14508	2.5
551.31189	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	550.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50795	3.4
61.98818	10.9
68.16647	3.1
69.40195	4.1
70.88491	5.5
70.88834	3.7
71.01392	7.9
78.57150	3.1
78.95908	4.7
83.01372	5.2
93.03446	13.7
95.01368	4.1
96.96027	17.4
101.90871	3.0
107.01380	6.2
107.10355	2.9
111.00922	5.4
111.04528	19.1
123.00884	23.4
125.02449	35.9
135.04520	4.0
137.02432	7.5
139.00346	4.7
141.01933	3.2
141.89352	3.0
145.73470	3.2
151.00414	15.6
152.99416	3.2
153.01794	3.6
155.03490	14.7
169.01416	66.7
173.04485	8.0
190.41034	3.0
204.20583	3.2
211.02408	11.0
313.05627	4.6
331.06744	20.6
395.00415	3.4
469.09601	30.4
471.74390	3.4
487.10898	100.0
488.11545	7.7
518.65186	3.9
520.02502	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	549.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
57.09156	0.3
59.01380	8.1
61.98834	2.7
65.00346	0.6
67.01875	0.9
68.99820	0.6
69.03432	0.6
69.87054	1.5
69.87467	0.8
70.87153	0.4
71.01379	6.5
72.99313	1.1
73.02945	1.3
78.95908	0.6
79.01897	0.9
83.01376	1.4
85.02942	1.4
87.00866	0.9
89.02447	1.7
95.01383	1.7
97.02972	0.6
98.19946	0.4
99.00920	0.5
101.02435	3.5
103.04027	1.1
103.42988	0.4
107.01396	3.9
109.02986	0.4
110.00082	0.6
111.00896	3.7
113.02464	1.8
119.03483	0.9
123.00891	10.3
124.01661	1.8
125.02448	19.6
127.00388	1.8
135.11859	0.5
136.98824	2.6
137.02440	0.8
139.00371	6.3
140.01163	7.1
141.01932	1.1
145.05116	0.5
148.08026	0.4
151.00359	6.2
153.01903	0.7
163.06117	1.8
166.99857	0.7
167.99207	0.8
168.00635	15.7
169.01425	25.4
170.01784	0.7
175.04004	0.5
177.04024	1.5
179.03479	0.6
181.01402	0.8
181.05035	0.7
181.12354	3.8
190.06302	0.7
193.01489	0.8
209.96399	0.4
211.00444	0.8
211.02480	15.5
212.02849	0.8
232.97888	0.4
241.03551	1.0
266.04294	0.9
271.04578	8.7
284.05209	0.5
307.10419	1.1
312.04865	0.6
313.05676	1.0
329.05283	0.7
331.06607	0.5
353.14029	0.4
369.17062	0.6
387.18204	4.1
398.11874	0.6
399.12921	1.4
531.23029	0.5
536.17981	0.4
549.23425	100.0
550.23840	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	549.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.3
57.03439	4.2
59.01378	67.4
60.69518	1.2
61.98833	10.7
65.49896	1.1
69.03461	1.8
71.01380	37.8
71.51031	1.0
71.51430	1.6
72.99302	4.8
73.02948	14.5
74.06686	1.2
75.00874	1.2
78.95897	8.5
83.01382	8.7
85.02949	23.0
86.00091	1.5
87.00872	2.5
89.02437	5.8
90.10664	1.5
95.01396	4.6
96.96024	12.1
96.96965	6.9
97.02919	1.4
99.00884	7.9
101.02439	37.3
107.01397	5.6
111.00907	4.7
113.02451	16.4
119.03465	1.8
123.00871	14.3
124.01686	3.0
124.98842	1.4
125.02448	27.5
125.19086	1.4
127.00330	1.7
131.03493	36.9
136.98787	2.6
139.00330	7.0
139.77740	1.3
140.01176	7.8
141.01929	2.0
143.03493	2.2
151.00348	8.0
159.03055	2.8
161.04544	15.3
168.00653	8.1
169.01416	36.8
177.04012	1.4
211.02484	26.0
271.04559	28.2
272.04910	1.3
305.12997	1.4
331.06863	2.0
357.22806	94.5
358.23145	5.3
387.17804	1.7
387.22137	1.9
401.21362	2.1
489.27310	8.9
492.44620	1.4
503.48102	1.5
549.23486	100.0
550.23694	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	549.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56214	0.3
58.81715	0.3
62.75645	0.3
73.80185	0.3
74.26706	0.3
77.03953	1.9
90.26596	0.2
93.03461	0.3
107.05017	0.3
121.02955	100.0
122.03297	2.3
137.02417	0.5
147.04539	0.5
150.12288	0.3
165.01927	57.6
166.02283	1.8
180.05869	0.6
181.06567	2.5
197.06061	2.6
207.04471	0.7
222.39090	0.3
223.03990	0.4
225.05525	1.5
257.09717	0.6
313.06952	1.6
357.06033	0.7
383.07693	0.6
386.89783	0.3
417.09760	2.7
505.11630	1.5
549.10364	27.0
550.10663	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	549.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00613	2.5
59.01379	14.7
71.01378	3.1
71.49838	1.8
72.99305	4.7
73.02950	2.3
80.10479	1.5
84.99552	1.6
85.02919	2.3
89.02438	6.6
92.96017	2.3
108.90195	3.2
117.01942	99.5
131.03494	1.8
133.01405	1.9
164.92764	2.3
189.04039	2.4
206.93758	4.5
207.05090	100.0
208.05476	2.1
491.69052	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	549.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
58.00605	0.5
59.01384	11.9
61.98835	4.4
67.01890	2.2
71.01385	7.1
72.99309	1.5
73.02943	2.1
79.01894	1.6
83.01392	1.7
85.02945	4.0
87.00869	1.0
89.02456	1.9
95.01378	2.6
97.02932	0.8
101.02454	4.9
107.01395	4.7
111.00900	3.0
113.02434	2.2
123.00886	15.0
124.01643	2.0
125.02454	22.4
127.00381	1.4
131.03534	3.6
136.98801	2.5
139.00377	7.2
140.01164	4.8
141.01900	1.2
151.00371	7.4
153.01930	1.3
161.04558	1.6
165.01855	0.6
167.03468	1.2
168.00648	7.3
169.01428	34.0
170.01707	0.7
177.04050	1.5
195.74419	0.5
204.22852	0.6
211.02481	25.6
223.02238	0.6
241.03560	0.9
271.04578	26.5
272.04990	1.1
313.05655	0.6
331.06717	0.9
357.22818	10.2
386.86365	0.6
387.18118	1.0
489.27478	1.1
549.23431	100.0
550.23816	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	548.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19386	1.1
55.88588	1.2
56.14074	1.2
59.01383	9.4
61.98829	25.7
69.33678	10.2
71.01380	6.6
85.02952	1.4
89.02444	2.6
98.19872	2.6
101.02448	1.4
107.01379	6.2
111.00887	1.9
113.02418	1.5
123.00885	12.0
125.02446	27.6
136.98834	1.7
139.00371	5.6
140.01160	3.0
143.03342	1.6
143.04579	1.5
151.00381	6.0
168.00664	9.3
169.01434	38.6
170.01787	1.8
192.21399	1.3
211.02473	45.7
212.02773	1.4
213.23126	1.4
227.55275	1.3
241.03558	1.4
271.04575	55.5
272.04968	2.0
306.07581	1.4
313.05396	1.2
331.06644	5.2
366.65015	1.3
439.11176	1.6
469.83456	1.4
485.20282	100.0
486.20404	8.8
548.21997	4.6
549.23645	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	548.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65319	1.2
58.86517	1.0
59.01381	11.8
61.98831	24.4
64.14475	1.1
69.19840	8.6
69.20267	2.5
71.01387	6.7
73.02950	1.3
82.88191	1.1
83.01382	1.4
85.02985	1.6
88.00427	2.2
88.98825	2.8
89.02452	4.0
89.45406	1.0
93.03450	1.0
95.01407	2.3
95.16610	1.0
96.16107	1.0
98.20750	1.8
101.02455	3.5
107.01397	4.2
107.71433	1.1
109.02962	1.1
109.48073	1.1
111.00890	2.3
113.02455	2.3
116.76418	1.1
117.74217	1.1
119.03516	1.9
123.00883	10.6
124.53640	1.0
125.02450	22.7
131.03482	1.4
135.04504	2.7
136.98769	1.4
137.02428	1.8
139.00368	4.2
140.01158	3.7
151.00368	6.8
167.03511	1.2
168.00650	8.9
169.01433	34.1
170.01750	2.3
179.03578	2.6
181.05049	1.8
189.94792	1.1
211.02467	43.8
212.02718	1.7
241.03542	2.4
271.04572	46.5
272.04913	2.1
331.06757	3.0
485.20270	100.0
486.20737	8.2
533.79846	1.3
548.21838	2.2
549.23920	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	547.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84118	2.2
59.01374	16.6
61.98832	39.1
69.29270	18.3
69.29671	4.5
71.01389	9.9
71.08664	2.7
72.99311	2.8
73.02932	2.9
77.78773	2.4
78.95893	4.6
85.02950	2.5
89.02454	7.0
98.19900	5.0
101.02438	7.1
113.02453	4.4
113.09717	3.0
125.02444	6.5
128.16292	2.4
129.09227	5.6
154.06041	2.5
161.04588	5.7
169.01347	5.3
171.10309	4.0
181.12389	6.0
197.11815	6.1
209.11787	6.8
211.13361	16.2
235.55692	2.5
253.09271	30.6
271.50110	2.7
293.21051	11.8
297.33606	2.5
311.22272	100.0
312.22696	6.2
547.31769	3.6
550.18750	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	547.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
56.64217	0.6
56.69399	0.6
57.03445	4.5
58.00603	3.5
59.01378	87.0
60.01708	0.6
61.98851	3.3
69.03458	1.0
69.66995	2.2
69.67404	1.9
71.01379	67.1
71.05019	1.6
72.99291	4.9
73.02946	11.2
75.00847	1.2
75.12169	0.6
81.03458	2.3
83.01389	7.9
85.02950	19.4
87.00876	3.6
88.98815	1.2
89.02441	68.0
94.30414	0.6
95.01397	4.9
97.02959	1.8
98.20669	0.7
99.00870	7.8
99.04525	2.4
101.02438	49.2
107.01395	1.4
109.03033	0.8
111.00887	1.5
112.59651	0.6
113.02445	26.0
119.03499	22.7
123.00901	2.4
123.04562	1.3
125.02440	9.0
129.01952	2.7
131.03497	30.5
133.02913	1.5
134.03777	0.9
135.04559	1.0
135.08009	0.7
139.00407	0.9
143.03545	4.8
148.86282	0.6
149.04552	19.1
151.00394	1.9
159.02974	0.9
160.04091	4.6
161.02438	5.4
161.04549	10.6
161.09857	1.0
168.00560	1.0
169.01439	6.7
170.01741	1.9
171.01953	0.6
179.03529	1.2
179.05624	9.0
179.10785	3.2
186.70288	0.6
191.05606	22.5
204.02821	0.6
217.16035	0.8
227.03432	3.3
233.06689	0.7
253.18095	1.3
255.02950	5.5
256.03683	0.9
269.04565	1.2
284.03195	5.7
285.03989	2.3
315.18164	2.8
327.18008	1.2
341.10870	2.8
343.17456	3.4
397.22510	3.8
415.23346	100.0
416.23636	8.2
484.19058	15.4
485.19876	2.2
503.11908	1.8
547.14209	5.9
547.21136	3.8
547.27881	24.7
548.15082	1.1
548.27985	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	547.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.5
57.03436	4.8
57.47923	1.2
58.00578	4.3
58.02963	1.5
59.01379	100.0
61.98835	18.0
67.01862	1.6
69.03448	3.1
70.16566	4.6
71.01381	74.2
72.99292	6.3
73.02953	12.2
74.02463	2.8
75.00842	1.6
80.35331	1.3
81.03458	3.2
83.01401	7.2
83.05000	1.6
85.02950	16.1
87.00864	3.8
89.02444	98.3
93.03453	1.4
95.01389	6.5
96.96009	3.1
97.02988	1.7
97.06577	1.4
98.20573	1.7
98.95566	1.5
99.00881	10.0
99.05613	2.2
101.02440	46.4
107.01378	4.6
107.05008	1.8
108.02229	1.5
109.02929	2.1
111.00877	2.7
111.04517	4.2
111.08167	1.6
113.02448	20.0
116.92831	2.0
117.03430	1.8
119.03510	19.4
119.04987	4.2
121.02924	2.5
123.00887	8.7
123.04595	2.1
123.08157	16.5
124.01647	2.0
125.02444	30.6
126.02755	2.3
128.03516	4.9
129.01924	3.7
131.03497	63.7
132.02196	9.6
133.02917	3.2
134.03732	14.3
135.04477	5.5
137.02417	4.6
139.00386	3.3
140.01131	3.6
141.01859	1.8
143.03482	5.2
143.04645	5.7
145.02925	2.2
147.08197	6.5
149.04558	47.2
149.06015	5.9
151.00366	5.7
151.03987	7.1
160.01662	47.0
161.02470	9.6
161.04546	8.4
163.03990	3.4
165.01953	1.7
165.09222	7.9
168.00571	6.2
169.01430	35.2
170.01753	4.9
172.39171	1.3
173.04538	2.0
175.03995	70.6
176.04366	2.8
177.01917	2.8
179.03386	2.5
179.05696	10.4
180.07953	1.4
191.05586	44.8
191.07161	13.7
193.05042	12.7
193.46855	1.5
199.49028	1.2
202.47017	1.6
209.08182	61.7
210.08572	4.2
211.00488	1.6
211.02475	29.7
213.10368	1.6
215.10741	2.7
221.06639	1.7
221.56717	1.5
227.03598	1.5
230.10010	2.3
234.72519	1.3
251.07744	1.3
253.05106	9.4
254.07832	3.9
255.02789	1.8
271.04556	48.6
272.05026	2.1
272.08786	3.0
284.03271	2.6
285.04007	4.1
298.46973	1.8
303.14529	1.8
313.05283	1.3
323.07581	1.9
331.06705	5.0
333.15668	3.5
337.05362	2.3
337.09302	33.7
338.09570	1.9
353.12234	1.9
371.13425	29.5
372.13989	2.8
397.22232	2.4
412.43185	1.5
415.23230	3.5
438.02750	1.4
447.09479	1.9
484.19095	15.3
485.20325	4.1
529.17554	2.7
529.26459	1.4
547.18280	92.2
547.27466	14.6
548.18268	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	547.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.4
60.99007	1.0
60.99305	14.2
61.98815	1.1
69.28347	5.8
69.28751	1.3
71.01376	6.7
73.02946	1.0
83.01379	1.2
85.02941	1.7
88.98804	100.0
89.02457	7.6
95.01380	1.1
99.00909	1.0
101.02444	5.0
107.01373	2.8
108.02216	0.9
112.14700	0.8
113.02399	1.6
117.05558	1.0
119.03464	1.5
123.00861	2.4
125.02454	7.6
131.03487	2.6
139.00348	1.0
143.71271	0.8
149.04549	2.7
151.00311	2.5
158.16519	1.1
161.04614	0.8
163.04012	0.9
169.01434	8.2
175.04015	0.8
191.05635	2.4
227.03464	5.3
255.02974	8.6
256.03656	1.0
284.03214	7.9
285.03976	3.6
286.17877	0.9
393.68900	0.8
415.23288	1.8
484.19287	1.5
525.59528	1.0
547.14160	7.1
547.21478	13.0
548.14313	1.7
548.21606	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	547.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55896	1.1
55.67303	1.0
58.35445	0.9
59.01379	12.7
61.98835	5.4
69.03436	1.3
69.51961	7.1
71.01390	12.0
72.75113	0.9
73.02971	1.8
74.03959	1.1
81.03448	1.2
83.01400	1.9
85.02962	2.7
87.00864	1.2
88.98814	1.6
89.02452	11.6
95.01379	1.3
95.71839	1.1
97.02991	1.5
98.02516	1.0
99.00873	2.0
101.02467	6.1
107.01381	2.2
108.02179	12.1
111.04501	3.6
112.15415	1.0
113.02456	3.8
117.03439	1.5
119.03526	1.6
121.02962	3.4
122.03731	3.3
123.00881	1.3
125.02466	6.7
126.02819	1.7
131.03511	4.3
132.02176	14.4
133.02953	4.4
134.03749	18.3
135.04509	4.0
137.02431	1.9
141.07484	1.1
147.08116	2.5
147.11417	1.1
149.04553	4.1
149.06102	3.0
150.03058	1.1
151.00426	1.3
160.01656	63.8
161.02466	16.3
161.04533	1.7
163.07625	4.2
164.08440	5.8
165.07776	2.0
165.09204	41.7
166.09547	2.6
169.01434	12.4
170.01723	2.6
173.06085	1.2
175.03999	100.0
176.04324	4.0
178.02725	1.1
179.03450	1.8
179.05583	1.4
179.07140	1.6
179.10744	5.7
189.05568	2.4
191.05565	2.3
191.07130	23.4
192.07463	1.7
193.05061	15.6
208.07416	2.5
209.08188	89.8
210.08556	3.3
211.02347	1.2
223.09723	1.3
227.03502	10.5
229.05115	2.1
255.03021	16.1
256.03708	1.7
257.04568	1.6
284.03275	14.2
285.03986	16.6
323.07471	1.6
337.09314	29.3
338.09448	2.1
353.12442	3.6
371.13461	45.3
372.13754	3.3
400.44141	1.1
484.19019	12.5
485.19623	1.8
515.01068	3.7
517.12958	1.1
529.13599	2.6
540.74402	1.4
547.18872	34.7
547.27429	2.4
548.18860	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	25.9
59.01637	5.4
61.98861	3.5
69.03481	4.8
69.19379	33.7
69.19793	7.5
71.01371	19.9
85.02914	6.4
87.00880	4.6
89.02434	13.5
97.02914	4.6
101.02425	9.1
107.01385	8.7
109.97115	4.4
111.00852	4.4
111.15351	3.6
111.16099	4.2
112.06632	4.0
113.02444	16.2
119.03536	5.7
123.00893	16.5
125.02451	81.0
126.02752	16.3
135.11752	6.5
161.09741	9.8
162.88733	3.6
166.99864	3.8
168.00616	4.2
169.01424	100.0
170.01714	25.0
171.01901	12.1
175.02452	4.6
179.10773	46.6
203.10779	5.3
223.09715	53.1
341.10815	6.7
354.61304	4.5
385.14844	13.6
393.54703	7.9
394.04636	5.1
394.55157	7.1
445.09637	10.2
469.55157	7.9
470.05301	11.7
470.55682	20.1
471.05713	4.6
484.18781	11.4
547.27264	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	547.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86435	0.3
59.01376	5.8
60.08863	0.3
60.62191	0.3
61.16415	0.3
61.98830	100.0
69.03456	0.5
71.01387	3.0
71.51837	0.6
72.99312	0.3
73.02945	0.9
79.01910	0.4
83.01385	0.6
85.02967	0.9
89.02451	1.4
95.01402	1.0
101.02456	1.4
102.40403	0.3
102.70528	0.3
104.96945	0.4
107.01414	1.4
108.02200	0.9
109.02974	0.7
111.00887	0.8
113.02476	1.4
113.03201	0.3
123.00884	3.1
123.04521	1.1
125.02454	5.4
126.02828	0.3
130.08719	1.0
131.03516	0.8
136.98807	0.4
139.00371	1.5
140.01140	1.0
141.02000	0.4
151.00359	1.6
152.01154	1.0
152.33824	0.3
153.05624	1.5
161.04576	0.5
168.00623	0.6
169.01425	5.8
170.01697	0.4
192.24428	0.3
193.12383	0.7
209.11761	0.5
209.33902	0.3
211.02545	1.8
228.11426	0.4
271.04587	0.7
322.20255	0.9
355.21268	1.0
391.22165	0.4
487.32605	0.8
503.19116	0.8
547.21912	22.4
547.29492	1.1
548.22302	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50506	0.7
57.03427	0.8
58.41956	0.8
59.01374	16.3
61.98800	1.3
67.01863	1.1
69.03429	1.2
69.95560	1.6
69.95953	1.6
70.04326	0.7
71.01385	18.7
72.99320	1.9
73.02944	2.6
80.63742	0.8
83.01360	4.9
85.02934	3.8
86.45731	0.8
87.00873	31.3
87.71246	0.7
89.02457	2.3
95.01386	1.4
96.96011	3.9
99.00860	1.1
101.02448	2.0
107.01388	1.0
111.00885	9.3
113.02489	1.1
115.00372	55.0
123.00931	1.6
124.01653	1.4
125.02433	8.0
127.00360	1.3
139.00377	16.9
149.99522	0.8
151.00296	1.2
155.03545	0.9
157.01421	25.5
167.00003	1.1
168.00638	2.9
169.01405	8.4
175.02466	100.0
176.02785	1.9
179.10663	1.0
191.05492	1.1
223.24837	0.8
280.08557	2.3
295.10883	9.5
297.12238	0.8
325.11841	1.8
327.13477	3.7
339.09854	3.8
353.11484	2.1
355.12674	1.0
371.12463	10.4
397.10385	2.7
399.12158	1.5
401.13391	1.9
429.12961	5.3
431.14569	1.5
435.11826	1.8
443.14441	1.2
445.09882	2.6
467.14578	5.2
468.54886	1.3
485.15771	7.1
487.13409	2.4
499.12915	1.0
511.13373	2.0
529.14673	0.9
547.20776	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	547.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24955	1.4
53.54961	1.6
55.01874	2.2
57.03455	2.0
58.00597	4.5
59.01379	80.5
60.01718	1.7
61.98827	17.0
69.03445	1.8
71.01382	56.4
71.52300	1.9
72.99311	5.4
73.02956	10.2
74.08974	1.4
75.00864	2.3
79.04140	1.3
80.11114	1.6
81.03442	3.2
83.01398	6.3
85.02943	13.0
87.00881	4.2
88.98815	2.2
89.02444	77.5
93.03433	2.1
95.01430	3.7
95.05058	1.8
96.96001	3.6
97.02950	1.8
99.00879	7.3
101.02441	38.7
107.01389	4.7
107.05047	3.0
108.02200	1.3
109.02952	2.3
111.00878	2.8
111.04567	2.1
113.02447	13.2
113.25542	1.3
119.03519	12.4
119.05032	4.4
121.02976	4.0
121.10347	1.5
121.91547	1.5
123.00882	6.2
123.04515	2.0
123.08156	19.9
125.02444	23.2
129.01958	1.9
131.03508	47.7
132.02168	12.6
133.02988	4.6
134.03757	20.9
135.04555	4.2
137.02501	4.1
139.00331	2.5
140.01167	1.4
143.03499	2.9
147.08138	9.3
149.04562	37.9
149.06041	6.0
151.00362	5.4
151.03989	7.8
160.01663	66.5
161.02438	11.4
161.04601	5.2
163.04022	3.4
165.01978	1.6
165.09198	14.5
168.00664	4.9
169.01447	31.0
170.01855	2.5
173.04654	2.1
175.03999	100.0
176.04353	3.0
179.03525	2.7
179.05630	7.8
179.71008	1.5
191.05614	34.8
191.07170	20.8
192.07562	1.5
193.05067	17.0
209.08185	87.8
210.08521	4.0
211.02457	19.0
213.10304	3.8
214.90715	1.8
221.06569	2.7
223.09776	2.3
227.03560	2.3
238.49104	1.4
253.05080	8.5
255.03040	2.7
271.04578	25.5
284.03253	2.8
285.04010	1.7
287.35590	1.7
295.08139	1.7
299.99155	1.8
303.14383	3.3
331.06882	4.1
337.09290	48.2
353.12646	1.6
371.13409	39.9
372.13705	2.9
397.22250	2.1
415.23312	5.1
432.20782	1.7
470.55322	1.8
484.18988	13.1
485.20230	1.6
547.18341	73.3
547.27722	11.3
548.18604	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	545.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.3
57.03450	0.9
58.00600	1.3
58.40821	0.4
59.01381	15.4
61.98847	2.5
61.99114	0.5
64.56545	0.4
67.01881	0.5
69.03457	1.9
70.93407	0.5
71.01386	12.6
72.99312	0.9
73.02956	2.9
81.03496	0.7
83.01390	1.4
83.05037	1.1
84.13052	0.5
85.02941	2.4
87.00887	1.3
89.01968	0.4
89.02445	11.6
93.38950	0.4
95.01395	1.4
97.02978	1.8
97.06589	1.1
101.02451	13.0
103.61536	0.5
107.01382	2.5
109.06619	1.1
111.08169	18.3
113.02470	5.7
119.03540	3.4
123.00854	2.8
124.01703	0.5
125.02457	21.9
125.09759	0.7
126.02795	1.6
127.07626	2.3
131.03459	0.5
139.00444	0.7
141.09224	0.8
143.03506	1.4
151.11302	1.2
153.09288	0.6
153.12863	2.0
155.10732	0.6
161.04572	6.7
163.11221	0.5
163.20253	0.5
165.12862	0.8
166.99847	1.0
167.10828	1.2
167.14429	0.5
168.00551	0.9
169.01436	28.7
169.12349	8.3
170.01764	1.1
170.07101	0.6
171.10271	0.8
179.05615	2.7
181.12357	1.8
183.13907	1.3
184.51140	0.5
197.11838	87.2
198.12209	3.1
199.13411	6.1
211.13403	10.5
227.12889	2.5
232.02943	0.7
235.08116	0.6
241.03488	1.5
247.20689	0.9
253.09291	50.8
254.09616	1.8
263.20151	6.6
265.18164	2.5
273.18585	1.4
291.19669	31.7
292.20020	2.2
309.20718	100.0
310.21039	7.0
361.99860	0.5
362.04584	0.6
393.04568	4.7
393.54785	1.0
465.30292	0.6
469.05164	10.5
469.55377	5.5
470.05478	0.8
527.28601	0.6
528.69470	0.5
545.29675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.1
58.00582	2.2
59.01110	1.4
59.01379	16.0
61.98820	1.6
69.03436	2.4
71.01381	9.0
73.02937	2.1
80.30656	0.9
83.01378	1.4
83.05015	1.0
83.79994	0.8
84.59174	1.0
85.02936	3.3
87.00885	1.3
89.02441	9.8
95.01352	1.1
101.02441	11.0
107.01373	0.9
109.06559	1.1
111.03032	0.7
111.08160	17.2
113.02438	5.5
119.03517	3.7
123.00864	1.7
125.02454	14.5
125.09646	0.9
131.03506	0.8
151.11243	1.0
151.40945	0.9
153.12852	1.5
161.04607	5.0
169.01425	20.1
169.12367	6.6
173.56871	0.9
179.05600	2.1
181.12375	1.7
182.37469	0.9
183.13914	1.5
193.12123	1.0
197.11830	82.8
198.12129	2.6
199.13420	5.9
211.13417	11.6
227.12799	1.8
229.45499	0.9
235.08344	1.2
247.20598	1.3
253.09285	49.8
254.09554	1.5
255.03154	0.8
263.20114	7.8
265.17993	1.4
273.18527	2.7
291.19653	31.1
292.19833	3.1
309.20706	100.0
310.21039	7.9
390.16336	0.9
393.04642	2.7
393.54556	1.7
469.05246	6.4
469.55386	3.2
470.05475	0.9
572.12494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	50.2
61.98584	3.1
61.98835	35.6
65.03984	2.4
67.01918	3.1
69.03469	3.5
71.01390	24.2
71.51733	3.3
73.02946	9.3
74.77295	2.8
78.16020	3.0
81.48083	2.9
83.01413	3.4
85.02959	6.5
87.00889	3.8
89.02448	11.8
93.03463	13.0
101.02422	13.5
107.01393	15.8
113.02463	12.1
113.06072	6.8
119.50732	3.3
121.02982	16.0
121.91405	2.7
123.00885	20.6
124.01677	3.7
125.02451	91.2
137.02420	7.8
139.00319	6.1
140.01184	4.4
141.01895	3.4
149.99580	2.8
151.00388	9.0
161.04404	3.0
168.00639	9.5
169.01408	100.0
183.03017	18.8
210.24986	2.5
211.02539	3.4
213.64030	3.8
227.07216	7.0
246.32393	2.7
250.41721	3.0
313.02289	4.3
313.05673	49.4
357.09918	7.6
419.09814	4.5
433.07919	3.4
481.28192	4.4
505.33838	9.9
523.24719	4.0
541.13428	99.1
541.23096	24.6
541.31909	27.4
542.13824	12.6
542.22168	4.7
542.31927	6.4
567.72430	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	543.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
56.59734	0.4
57.03470	0.5
58.00611	0.6
59.01379	14.0
61.98825	2.1
69.03468	0.9
69.32291	3.7
71.01381	9.9
72.99322	0.9
73.02946	1.9
75.80805	0.4
82.78638	0.6
83.01397	1.4
85.02946	3.9
87.00889	1.1
88.89711	0.5
89.02444	7.5
95.01403	1.1
96.96011	1.4
97.02988	0.4
98.20628	0.7
99.00880	0.8
101.02442	7.5
107.01408	1.5
113.02451	4.2
113.41904	0.5
119.03519	2.7
123.00877	1.1
125.02444	9.4
126.90411	0.5
137.09731	0.6
166.99908	0.5
169.01437	9.8
170.01738	0.7
184.83815	0.5
187.00377	0.4
187.31898	0.5
201.01923	0.6
211.02521	0.7
229.01395	0.9
245.19221	0.5
247.02380	0.6
257.00766	0.8
257.15366	0.7
273.00467	0.5
273.18619	1.2
275.02051	1.2
293.17722	0.5
299.99057	0.7
300.99872	8.6
301.18002	0.6
302.00311	0.8
319.19119	12.6
320.19601	1.0
337.20178	7.8
345.16956	1.6
363.18079	2.5
391.11475	0.7
453.03619	0.8
467.03546	1.2
499.25485	5.0
525.23657	0.8
543.24481	100.0
544.24829	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	543.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
57.03425	1.2
58.00588	2.7
59.01379	100.0
61.98829	22.7
65.51640	0.7
69.03445	1.3
69.14098	9.0
71.01383	41.6
72.99314	4.3
73.02942	5.5
83.01371	3.6
85.02956	8.3
87.00879	1.9
88.98788	1.4
89.02445	71.0
90.02769	0.9
92.47344	0.9
94.98067	0.9
95.01372	1.4
99.00874	3.9
101.02439	31.3
101.03107	1.7
107.01425	1.0
109.02979	0.8
111.00873	1.1
113.02459	10.9
119.03513	7.0
123.00862	2.5
125.02424	9.4
129.01939	1.8
131.03499	49.9
133.68170	0.8
139.00414	1.2
143.03502	0.9
145.75529	0.8
149.04549	63.7
150.53055	0.9
152.01028	0.9
153.01965	2.7
161.04532	2.7
163.03975	0.9
164.06992	0.9
168.00595	1.1
169.01421	9.7
179.05630	2.4
183.02966	10.7
191.05609	32.0
207.10286	0.8
221.06586	2.4
251.07735	3.4
286.04883	2.0
300.99905	1.6
301.99295	0.9
311.09891	2.4
359.07770	4.1
398.08228	0.8
466.56284	1.3
495.27237	1.0
508.27493	1.0
543.15039	1.2
543.24762	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	541.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01381	12.9
60.60160	0.6
61.98825	6.2
71.01392	6.2
71.51656	0.9
72.99308	0.7
73.02946	7.2
75.00828	0.8
81.03469	1.2
83.01388	9.4
85.02945	2.9
87.00864	1.1
87.04515	1.6
89.02451	1.4
92.18692	0.6
92.66535	0.6
93.03458	1.3
95.01388	2.1
95.05019	1.5
97.02939	1.0
101.02442	5.7
101.06051	0.8
106.43282	0.7
107.01398	1.7
108.02190	5.8
109.02955	4.4
109.06564	0.9
113.02437	2.0
113.69331	0.6
121.03006	1.5
122.03751	1.5
123.00912	5.2
123.04527	99.4
124.01620	1.0
124.04859	2.6
125.02451	14.0
125.06062	0.9
127.07634	1.1
135.04501	2.4
137.02455	1.5
139.00392	2.8
139.11305	8.0
140.01151	1.4
151.00354	3.0
151.04080	0.7
152.01161	5.5
153.01985	3.0
153.05577	100.0
154.05949	2.7
161.02446	1.6
163.11244	0.8
165.09192	1.0
167.10794	0.7
168.00633	2.5
169.01427	17.8
169.12354	2.7
170.01767	0.8
179.03514	1.2
179.10793	2.3
181.12363	3.0
183.10254	11.0
197.11853	2.1
198.94119	0.6
201.05493	0.7
211.02432	3.9
211.13484	0.8
225.11324	12.3
225.90033	0.7
226.11661	0.8
243.12352	9.7
249.11328	1.4
267.12357	1.9
271.04642	2.5
285.13409	1.8
291.12433	2.6
300.99924	1.8
313.05701	1.8
320.97833	0.7
327.14499	2.7
379.14127	1.2
387.16669	7.3
481.20935	2.4
523.21948	1.6
541.23004	98.2
542.23358	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	543.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.03421	2.5
59.01378	16.5
61.10855	0.6
61.98792	2.2
63.96871	0.6
67.05528	0.7
69.03440	1.2
69.80151	2.3
69.80560	1.2
71.01024	0.8
71.01380	10.8
73.02946	1.3
80.02684	0.9
81.03435	2.0
81.79406	0.5
83.01369	1.9
83.05015	1.1
85.02938	2.8
87.00846	1.7
89.02441	10.0
92.69826	0.5
95.01381	1.3
95.04995	2.0
96.95995	0.7
97.02934	2.3
97.06593	5.8
98.19930	0.7
99.00837	0.6
101.01817	0.6
101.02443	12.7
109.06573	1.3
111.04499	1.0
113.02460	5.2
119.03488	3.4
119.08642	1.1
121.06566	1.7
123.00890	0.6
123.04502	2.4
123.08165	1.4
125.02456	1.6
125.09718	5.1
135.08153	0.8
137.09732	3.9
141.12776	0.7
143.03424	1.3
149.06099	1.3
151.11269	0.8
161.04532	4.1
163.07600	0.7
163.11282	8.0
165.12822	1.4
167.10716	0.8
169.01402	1.1
171.10217	1.5
177.12802	1.0
178.23262	0.7
178.88625	0.6
179.05579	2.2
181.12291	1.7
185.11848	5.9
189.12807	0.6
191.14397	10.0
192.14697	0.8
193.12415	0.6
195.13930	0.7
197.11862	0.7
207.10338	3.3
209.11804	24.6
210.12213	1.2
211.13339	1.9
217.15965	1.2
225.11288	2.4
227.12880	0.8
235.08360	0.8
237.11308	10.3
239.47237	0.7
245.19107	16.4
246.19415	1.0
247.16983	0.7
253.09277	39.7
254.09750	1.2
263.20169	6.4
266.96411	0.6
271.17001	2.5
281.20895	0.8
289.18082	92.6
290.18411	6.9
298.07172	0.7
307.19141	100.0
308.19437	6.7
309.20782	0.7
321.72949	0.8
325.20361	0.9
525.26624	1.1
543.27991	5.5
544.28546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
61.98824	1.9
67.01876	0.8
67.15926	0.3
69.22147	1.3
69.22571	1.4
71.01382	2.7
72.01775	0.3
72.99299	0.7
73.02953	0.6
79.01878	0.9
83.01395	0.7
85.02944	1.1
87.00881	0.4
89.02457	0.8
95.01385	1.4
97.02939	0.6
98.20739	0.6
99.00891	0.7
101.02449	1.3
105.71317	0.3
107.01382	2.9
111.00871	1.5
113.02420	1.0
114.86254	0.3
122.99996	0.7
123.00881	11.6
124.01662	1.1
125.02443	13.8
126.02699	0.4
127.00359	0.8
136.98798	0.9
139.00368	4.7
139.07675	0.5
140.01155	3.1
141.01926	1.3
151.00359	9.1
153.01942	0.7
155.10715	0.5
163.03854	0.4
168.00591	3.4
169.01419	17.5
179.03619	0.3
211.02423	1.9
214.60652	0.4
271.04593	1.0
299.29697	0.4
303.47256	0.3
313.05569	1.9
493.19833	0.8
541.22888	100.0
542.23248	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	541.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.3
57.03445	0.4
59.01382	3.2
61.98815	0.3
67.01889	0.7
68.99815	0.4
69.03454	0.4
71.01383	2.6
72.99308	0.7
73.02932	0.8
79.01884	1.1
83.01390	0.9
85.02949	1.4
87.00875	0.3
89.02459	0.8
95.01382	1.4
97.02946	0.6
97.94048	0.2
101.02438	1.5
107.01392	3.2
109.02916	0.3
111.00883	2.2
113.02417	1.1
119.03482	0.4
121.02885	0.3
123.00892	13.0
124.01730	1.3
125.02451	15.6
126.02776	0.4
127.00381	0.8
136.98843	1.3
139.00366	4.6
140.01189	2.4
141.01949	1.4
151.00383	10.8
152.00691	0.5
153.01941	0.6
154.99826	0.5
163.03926	0.4
166.02893	0.2
168.00658	3.0
169.01425	19.6
170.01782	0.7
179.03523	0.3
181.05093	0.4
211.02521	1.7
227.16496	0.5
241.27370	0.3
242.58682	0.3
253.03656	0.3
263.07516	0.3
271.04605	1.6
272.04919	0.4
313.05499	1.4
331.06519	0.3
379.13901	0.6
541.22943	100.0
542.23242	12.0
542.31366	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35668	0.3
51.81089	0.4
58.00596	0.4
59.01377	5.1
61.98830	2.5
62.77028	0.3
64.58672	0.4
65.07618	0.3
65.89612	0.3
67.01894	0.5
69.03482	0.4
71.01384	3.9
72.99293	0.4
73.02967	1.1
79.01911	1.2
83.01390	0.9
85.02951	1.2
89.02460	1.4
93.03411	0.3
95.01398	1.3
97.02994	0.3
97.63021	0.4
101.02460	1.5
107.01399	4.3
108.02198	1.2
109.02936	1.4
111.00881	2.1
111.08128	0.4
113.02459	1.2
119.03506	0.6
123.00887	9.3
124.01680	1.5
125.02451	18.8
127.00394	0.8
128.49225	0.3
134.37387	0.4
136.98840	1.2
137.02448	0.9
139.00371	4.2
139.03986	0.6
140.01158	2.9
141.01855	0.6
151.00365	8.3
152.01158	1.7
153.01880	0.9
153.09250	1.1
155.03537	0.4
161.04576	0.3
165.88264	0.3
166.99902	0.3
167.03506	0.5
168.00627	5.0
169.01419	28.0
170.01767	1.1
179.03545	0.5
179.10777	0.4
211.02477	17.8
212.02814	0.7
223.02417	0.3
241.03403	0.5
253.03520	0.3
271.04581	18.7
272.04993	1.0
313.05716	1.4
331.06799	1.1
349.22690	0.5
541.23004	100.0
542.23303	11.8
569.28009	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2065
Annotation	(7R,8S)-7'-Deoxo-2'-deoxy-2',3':7,8-diepoxy-7',5'-(ethylideneoxy)verrucarin A
Peak:m/z	Relative Intensity
59.01374	13.5
61.98822	3.9
69.20776	6.5
69.21169	27.2
70.30659	2.7
71.01388	10.8
72.99306	3.0
73.02956	3.7
85.02945	4.7
89.02437	6.0
93.03475	4.7
95.01385	4.7
101.02483	5.3
107.01379	4.2
108.02174	3.9
113.02421	3.3
123.00867	12.2
123.04567	6.7
125.02444	33.0
126.02846	3.8
137.02397	3.1
139.00406	6.5
140.01202	5.1
151.00366	9.8
166.71658	2.7
167.02507	2.8
168.00623	7.7
168.87688	3.0
169.01431	37.5
170.01776	3.4
179.92119	2.6
205.82516	3.4
211.02467	4.9
211.13376	43.4
217.84019	3.2
271.04849	4.6
280.12982	2.8
293.08640	3.5
329.06442	34.9
540.34357	3.7
541.21790	100.0
542.22247	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	541.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
57.03454	0.7
59.01379	5.6
61.98843	0.4
65.50223	0.4
67.01898	0.9
69.03482	0.4
71.01375	4.5
71.52154	0.6
72.99332	0.8
73.02969	1.2
79.01903	1.2
83.01414	0.4
85.02954	1.9
87.00823	0.5
89.02456	1.8
95.01376	2.2
97.02948	0.4
99.00904	0.6
101.02439	2.6
107.01395	4.6
109.02962	0.7
111.00895	1.8
113.02450	1.3
119.03483	0.4
123.00883	14.6
124.01672	1.0
125.02448	19.4
126.02776	0.8
127.00432	0.9
136.98819	1.1
139.00381	6.5
139.03973	0.4
140.01198	2.3
141.01909	2.2
151.00362	11.1
153.01889	1.0
161.09773	0.6
168.00598	3.1
169.01419	27.6
170.01790	1.0
191.03534	0.5
196.33769	0.4
197.11967	0.4
197.13969	0.5
211.02480	4.7
253.03563	0.9
271.04584	4.6
273.14929	0.5
313.05722	2.3
319.12131	0.8
361.13104	1.2
379.13983	7.6
380.14304	0.9
449.17291	0.4
499.19217	0.5
541.23096	100.0
542.23505	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	540.0996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.9
61.98830	31.7
67.50356	1.5
69.42276	11.8
71.01397	3.7
73.02951	2.4
74.08858	1.6
85.02950	1.5
89.02431	1.9
95.01414	2.0
96.34485	1.6
97.02960	2.2
101.02444	3.2
107.01401	5.9
108.01709	2.9
113.02421	1.8
121.02948	2.6
123.00874	6.0
125.02448	26.9
126.02769	7.7
137.02414	1.7
138.03218	6.5
139.00363	2.5
145.97176	1.5
149.33345	1.7
151.00310	4.2
153.05569	5.0
163.11255	2.5
165.01962	9.0
167.38493	1.5
169.01419	44.4
170.01778	13.7
181.12364	13.9
182.12726	4.3
193.01411	3.4
211.02428	2.4
211.13310	2.2
212.02701	1.9
225.11311	15.0
226.11638	9.5
243.03001	2.7
254.02203	1.8
267.12476	3.3
268.12704	2.8
271.02457	35.1
285.03882	2.2
297.13089	1.7
298.13785	2.4
299.01959	67.6
300.02579	8.5
314.04300	67.1
315.05060	37.0
315.12885	1.9
327.14594	4.9
328.14709	9.6
387.16479	8.2
388.16855	12.1
439.05450	1.7
477.10349	100.0
478.10739	11.6
496.18750	1.8
539.17963	1.8
540.17651	27.8
541.18518	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	540.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15976	0.2
54.07294	0.2
55.24609	0.2
59.01379	1.1
61.53508	0.2
61.98833	100.0
63.45579	0.2
65.55262	0.2
69.87720	0.6
69.88109	0.4
71.01395	0.5
71.93270	0.3
73.06989	0.2
78.33454	0.2
89.02458	0.3
103.08734	0.2
111.68323	0.3
113.02483	0.2
129.53783	0.2
169.01445	0.3
184.14349	0.2
251.44785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81739	0.4
51.59066	0.4
57.03447	0.7
59.01381	9.2
59.62804	0.3
61.98833	2.8
69.03446	0.5
71.01398	2.0
71.51723	0.5
73.02973	1.9
79.01881	0.4
81.03452	1.5
83.01392	2.2
85.02958	2.8
86.04176	0.3
87.04481	0.4
89.02446	0.5
93.03462	0.7
95.01378	3.0
99.00832	0.4
101.02445	1.2
107.01391	1.0
108.02178	51.1
109.02961	39.4
109.06597	0.4
110.03291	1.2
111.00873	0.8
113.02446	1.1
116.50919	0.4
118.67709	0.4
121.02991	0.6
123.00901	3.7
123.04522	1.3
125.02461	4.1
126.90437	0.6
127.07622	0.4
135.00894	0.6
135.04456	0.6
137.02431	0.6
139.00417	1.0
139.11287	6.6
140.01128	1.6
140.11717	0.4
151.00391	0.9
151.03978	1.1
152.01157	55.4
153.01949	21.5
154.02277	0.9
163.03920	0.9
165.01924	0.9
166.99921	1.1
167.10757	0.5
168.00627	0.8
169.01456	4.5
169.12282	0.5
170.01762	0.5
179.10771	0.8
181.12306	2.2
183.10268	7.8
184.00137	0.6
192.76868	0.4
195.02988	1.2
225.11162	2.0
243.12318	0.9
255.05042	1.5
271.04587	0.5
287.13260	0.4
322.52927	0.4
479.19250	2.9
481.17108	4.7
497.13846	0.4
497.20319	5.7
498.20401	0.7
506.98029	0.4
509.23727	0.4
523.18097	3.0
541.19183	100.0
542.19556	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	539.2995
Annotation	5-Ketomilbemycin A4
Peak:m/z	Relative Intensity
52.11901	7.6
55.07114	7.8
59.01384	95.6
61.98826	93.1
64.21503	7.7
71.01373	43.9
73.02921	15.4
73.93507	8.1
81.70874	9.0
83.01458	9.0
85.02942	17.2
87.00875	9.9
89.02448	16.5
98.19863	16.5
101.02446	15.9
113.02444	14.7
119.05027	14.6
123.00867	11.8
125.02435	31.0
137.02483	15.2
151.00269	11.7
161.02505	10.1
162.19380	9.6
163.04044	17.3
168.00594	11.3
169.01408	37.0
183.02937	10.3
223.18556	8.6
262.54636	9.4
371.11630	8.6
502.28906	9.9
503.32352	36.0
539.21765	45.4
539.29901	100.0
540.29688	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	539.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.7
57.03447	1.2
59.01382	7.9
61.98831	0.8
62.60172	0.4
65.00362	0.6
66.20313	0.4
67.01884	1.0
69.60299	2.1
69.60739	0.7
71.01383	5.9
72.99303	1.3
73.02947	2.1
75.44372	0.3
79.01906	1.1
81.72959	0.4
83.01394	1.6
85.02955	3.0
87.00861	0.8
89.02449	3.6
95.01387	3.0
97.02940	0.7
98.20545	0.6
99.00861	0.8
101.02443	5.7
106.88484	0.5
107.01399	4.0
108.02149	1.2
109.02921	0.9
110.00091	0.6
111.00861	2.1
113.02442	2.5
116.92839	0.9
119.03498	0.7
123.00888	15.0
123.04497	0.7
124.01648	0.6
125.02451	19.7
126.02754	0.5
127.00439	0.6
133.81494	0.4
136.98853	1.6
137.09720	0.9
139.00392	5.6
140.01193	3.7
141.01912	1.6
151.00366	10.9
152.01149	1.3
153.01927	1.0
163.03998	0.6
163.06133	0.7
167.47350	0.4
168.00650	3.4
169.01424	25.5
170.01788	1.2
181.05031	0.5
203.44954	0.4
205.07008	0.5
211.02492	1.7
225.14859	0.5
271.04645	1.6
307.04843	0.6
307.62488	0.4
313.05731	1.6
319.52917	0.4
377.28983	3.3
387.12952	3.7
434.17441	0.4
445.38977	0.5
538.33276	1.2
539.21411	100.0
539.33636	13.7
540.21802	9.9
540.34851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2133
Annotation	Erizomycin
Peak:m/z	Relative Intensity
57.03418	0.5
59.01372	2.0
61.98802	0.4
67.01881	0.5
68.99796	0.4
69.03458	0.9
69.52037	1.8
69.52447	0.7
71.01398	2.9
73.02956	0.9
78.39765	0.4
79.01869	0.4
80.65641	0.4
83.01375	1.1
85.02953	1.1
87.00838	0.5
89.02442	0.7
95.01373	1.4
95.39700	0.4
97.02956	0.5
101.02427	1.4
107.01389	5.4
108.02177	0.6
111.00860	1.8
113.02463	1.3
123.00888	6.4
124.01692	1.7
124.31276	0.3
125.02444	32.7
126.02765	0.7
127.00341	0.8
136.98807	1.1
139.00366	3.3
140.01154	3.5
141.01906	0.5
151.00378	5.4
152.01096	0.4
166.41394	0.5
168.00636	5.3
169.01416	44.2
170.01729	1.1
177.04039	0.6
179.03375	0.4
211.02496	5.3
223.02376	0.6
225.14980	1.1
241.03590	1.2
246.52129	0.4
247.61285	0.4
271.04556	7.5
297.06274	0.9
313.05685	6.8
314.05878	0.6
329.04639	0.4
331.06622	0.5
539.21313	100.0
540.21588	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	539.2274
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
54.15079	2.3
56.23571	2.0
57.93193	2.4
59.01384	22.4
70.37468	8.2
71.01382	14.4
73.02936	4.1
75.19017	2.9
80.93660	2.6
83.71264	2.6
85.02949	5.2
89.02450	8.7
101.02447	7.2
103.27432	2.4
107.01376	5.0
108.02178	8.1
109.02985	5.9
119.03521	4.7
123.00871	11.3
125.02470	22.5
131.03641	2.5
137.09787	3.0
140.01183	3.4
151.00395	7.5
152.01186	7.2
153.01978	5.0
167.72549	2.6
168.00667	3.5
169.01437	33.9
211.02386	2.9
223.04404	2.7
271.04736	2.7
274.46066	2.5
313.05716	2.8
371.20749	5.1
377.29141	11.2
387.13007	3.1
521.12885	3.7
539.22198	100.0
539.33978	27.4
540.22339	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	539.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	9.0
63.02262	8.5
65.34024	9.0
69.69709	49.4
95.01373	43.6
98.20560	16.2
122.03806	9.4
123.00901	64.3
125.02441	38.1
127.04046	13.1
133.02878	10.4
135.04536	8.6
147.20070	9.2
151.00375	24.9
155.03520	28.1
161.02477	23.3
165.05576	24.9
166.02676	13.1
167.03476	23.8
174.03191	14.2
175.03970	14.3
187.03947	12.0
188.04750	10.9
216.04247	12.2
233.63420	9.0
262.04626	13.4
323.74734	9.6
341.24692	31.2
381.24265	24.2
391.26324	24.9
393.24222	16.7
399.25360	38.2
407.25815	17.6
419.25845	17.1
423.29074	19.2
435.25415	46.7
451.28497	22.2
463.24884	52.2
467.28009	93.6
468.28641	11.6
495.27472	100.0
521.25983	10.0
535.88513	10.6
539.78900	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	539.2131
Annotation	Erizomycin
Peak:m/z	Relative Intensity
57.03437	0.5
59.01380	3.3
67.01867	0.7
69.03422	0.4
69.73176	1.9
71.01379	2.8
72.99298	1.1
73.02940	0.8
79.01884	0.8
83.01363	0.4
84.05888	0.3
85.02947	1.2
87.00865	0.5
89.02415	0.6
95.01369	2.3
101.02433	1.3
107.01392	5.9
111.00872	1.9
113.02448	0.5
123.00890	13.0
124.01632	1.3
125.02445	16.2
127.00336	0.7
136.98773	1.3
138.06847	1.5
139.00375	4.8
140.01126	2.6
141.01891	1.2
151.00360	8.1
153.01938	0.6
153.09212	1.9
165.05603	0.5
168.00650	1.8
169.01410	18.0
170.01776	0.6
174.15596	0.4
211.02446	2.2
225.14967	0.5
271.04575	1.1
313.05591	1.3
411.22061	0.4
539.21289	100.0
540.21667	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	539.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
57.03430	1.8
58.00575	1.1
59.01379	16.3
60.90372	0.9
61.98808	3.2
64.09556	0.8
67.01885	1.3
69.03459	1.1
69.23297	8.0
71.01381	16.0
72.21870	0.9
72.99302	1.6
73.02933	5.9
76.44980	0.9
79.01868	1.2
83.01382	4.5
84.53580	0.9
85.02151	0.9
85.02950	7.7
87.00886	2.3
89.02437	6.1
93.03441	1.4
95.01358	4.8
96.95994	2.1
97.02949	1.4
99.00867	1.8
101.02443	12.8
107.01400	5.5
107.92953	0.9
108.02171	1.8
109.02939	1.9
111.00874	3.7
113.02426	5.0
116.65973	0.8
118.97546	0.9
119.03496	1.0
119.05059	1.0
121.02966	5.3
122.03732	4.4
123.00881	17.9
123.04493	1.5
124.01644	3.3
125.02445	31.4
126.02815	1.0
127.00298	1.7
133.02953	5.5
134.03731	1.1
135.08092	1.3
136.01572	1.1
136.98758	1.6
137.02422	3.0
137.06029	1.2
139.00356	6.7
140.01154	4.6
141.01874	2.7
149.02420	20.3
149.06062	1.6
150.03220	29.7
151.00386	11.9
151.03781	1.5
153.01884	1.1
161.02408	1.3
163.04013	1.3
163.07661	7.8
164.04742	5.2
165.01944	1.3
165.04155	1.5
165.05557	23.5
166.06290	4.6
167.07135	1.1
168.00583	5.9
169.01424	35.8
180.04298	1.0
181.08742	6.8
182.02237	1.3
195.06630	10.4
197.04495	3.9
199.29034	0.9
207.06671	4.9
209.00900	3.0
211.02438	6.9
225.07674	15.5
260.12863	0.8
271.04553	7.4
297.06024	1.0
313.05630	6.3
314.11612	2.9
315.12100	1.5
329.13943	9.5
330.14243	1.4
335.91623	0.9
343.13889	8.2
344.14462	1.0
347.17023	1.7
377.08310	1.3
387.12708	3.5
403.05978	0.9
439.08551	1.5
491.19217	77.4
492.19705	5.9
539.13904	25.3
539.21271	100.0
540.14001	3.2
540.21600	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	539.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
59.01381	57.2
61.70616	1.1
61.98829	5.2
62.13758	1.2
69.03435	1.2
71.01386	12.9
73.02945	1.1
73.99115	1.0
75.00883	1.1
77.74740	1.1
79.01898	1.2
83.01392	2.6
85.02950	4.2
87.00861	1.0
88.98804	3.7
89.02442	14.0
90.02793	1.1
94.85036	1.0
95.01392	2.4
96.95978	1.5
97.02991	1.1
98.19804	1.7
101.02448	9.1
106.52301	1.2
107.01381	5.2
107.05018	1.2
111.00885	2.0
113.02437	5.8
116.89882	1.1
119.03497	7.5
123.00886	8.5
124.01653	2.7
125.02448	34.2
136.98779	1.9
139.00337	2.3
140.01132	4.0
149.02393	1.8
150.03207	2.4
151.00340	3.8
161.02652	1.1
163.07649	8.5
163.11295	44.0
165.05525	3.6
168.00665	5.2
169.01418	39.1
175.18065	1.1
176.52795	1.2
179.05598	1.4
181.08772	1.6
195.06520	2.4
207.06657	5.4
211.02451	12.0
224.06686	1.2
225.07678	15.0
226.08186	1.2
241.03697	1.2
271.04590	9.5
293.63757	1.1
297.09854	1.6
313.05563	9.1
333.53928	1.2
387.16644	63.1
388.17053	5.1
439.08670	2.8
479.15448	3.7
521.16705	3.4
539.18091	100.0
540.18475	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	539.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00346	0.8
55.01888	0.8
59.01384	4.4
61.98840	2.4
67.01905	1.2
69.03456	1.8
69.19619	7.5
71.01380	4.5
73.02948	6.8
78.71584	0.8
79.01904	2.1
81.03461	0.8
83.01398	0.7
85.02972	2.7
87.04507	2.0
88.98809	0.7
89.02494	1.3
95.01409	1.7
97.02950	1.3
98.20661	1.9
101.02450	6.5
107.01392	10.9
107.02061	1.0
109.06612	1.8
111.00870	1.3
111.08140	0.9
113.02397	1.9
123.00880	14.0
125.02448	58.7
126.02824	1.4
137.02437	1.0
139.00369	3.9
139.04051	1.1
140.01184	0.8
141.01906	1.5
143.03534	1.1
145.10255	0.9
151.00374	6.2
163.11273	6.5
168.00644	2.8
169.01419	100.0
170.01819	3.1
171.01813	1.0
177.12738	0.8
179.70415	0.7
181.12340	52.5
182.12669	2.6
193.01431	1.9
195.13890	2.0
207.10255	2.9
211.02473	4.6
211.13408	2.0
223.13315	2.0
225.11325	24.8
225.88864	0.8
226.11688	1.3
239.12869	1.8
241.96878	0.7
245.14606	0.8
267.12329	11.5
297.13373	8.5
313.05722	4.3
327.14456	31.7
328.14783	1.4
340.65411	0.7
369.15399	1.5
387.16571	34.0
388.16776	2.3
479.15839	1.0
495.17310	1.3
538.33142	1.6
539.17499	46.4
540.17761	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	538.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09671	0.5
59.01379	17.3
61.98831	100.0
69.70821	0.7
69.71230	2.1
71.01361	2.3
73.02956	1.2
85.02964	0.9
89.02460	1.5
93.03452	7.0
95.01438	0.5
96.85149	0.5
101.02462	1.3
105.74797	0.4
110.84113	0.4
113.02460	0.8
121.02982	2.0
123.00929	0.5
125.02459	1.3
136.07631	0.4
137.02449	12.9
143.03532	0.6
147.12157	0.5
169.01471	1.2
187.85974	0.5
227.07133	4.0
241.22084	0.5
243.19676	1.1
244.19945	0.5
281.06726	6.4
323.07599	1.1
405.24850	1.3
406.25339	0.9
416.39038	0.5
537.29083	6.1
538.21924	0.7
538.29565	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	539.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00346	0.8
55.01888	0.8
59.01384	4.4
61.98840	2.4
67.01905	1.2
69.03456	1.8
69.19619	7.5
71.01380	4.5
73.02948	6.8
78.71584	0.8
79.01904	2.1
81.03461	0.8
83.01398	0.7
85.02972	2.7
87.04507	2.0
88.98809	0.7
89.02494	1.3
95.01409	1.7
97.02950	1.3
98.20661	1.9
101.02450	6.5
107.01392	10.9
107.02061	1.0
109.06612	1.8
111.00870	1.3
111.08140	0.9
113.02397	1.9
123.00880	14.0
125.02448	58.7
126.02824	1.4
137.02437	1.0
139.00369	3.9
139.04051	1.1
140.01184	0.8
141.01906	1.5
143.03534	1.1
145.10255	0.9
151.00374	6.2
163.11273	6.5
168.00644	2.8
169.01419	100.0
170.01819	3.1
171.01813	1.0
177.12738	0.8
179.70415	0.7
181.12340	52.5
182.12669	2.6
193.01431	1.9
195.13890	2.0
207.10255	2.9
211.02473	4.6
211.13408	2.0
223.13315	2.0
225.11325	24.8
225.88864	0.8
226.11688	1.3
239.12869	1.8
241.96878	0.7
245.14606	0.8
267.12329	11.5
297.13373	8.5
313.05722	4.3
327.14456	31.7
328.14783	1.4
340.65411	0.7
369.15399	1.5
387.16571	34.0
388.16776	2.3
479.15839	1.0
495.17310	1.3
538.33142	1.6
539.17499	46.4
540.17761	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18337	1.7
59.01379	34.9
70.04372	5.3
70.04786	3.2
71.01385	29.0
73.02945	4.5
83.01411	1.6
84.36573	1.5
85.02940	4.1
87.00853	8.4
89.02445	51.2
92.92799	13.3
94.92516	4.5
95.01366	2.5
101.02438	26.6
108.90202	6.5
113.02445	14.6
119.03498	9.2
125.02459	3.1
131.03517	3.1
143.03479	6.0
149.04427	1.9
161.04568	9.7
179.05608	51.6
191.10429	1.8
221.06667	23.1
242.78931	2.1
281.08759	2.5
305.62396	1.5
323.09821	4.3
341.10843	12.1
352.43344	1.8
377.08490	14.6
383.11789	15.0
384.12238	2.0
394.40906	1.5
432.79532	1.9
443.14081	1.9
503.16144	100.0
504.16492	5.3
539.13849	49.7
539.19818	1.1
540.14349	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13504	1.7
53.91727	1.4
57.17844	1.4
59.01377	31.8
61.64689	1.7
71.01384	26.7
71.50155	3.5
73.02954	4.6
85.02962	4.8
87.00872	8.7
89.02444	45.7
95.01388	3.0
101.02442	24.6
113.02440	13.7
119.03492	8.8
131.03508	2.4
143.03534	3.5
149.23222	1.5
149.36591	1.6
161.04572	9.6
163.12665	1.8
179.05609	44.7
212.96463	1.7
221.06638	21.1
281.08850	2.4
323.09814	4.2
341.10846	7.0
377.08481	13.7
383.11646	8.5
416.24643	1.7
430.09039	1.9
503.16156	100.0
504.16534	8.9
539.13837	42.9
540.14417	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	539.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55041	0.4
57.03448	8.4
59.01378	6.7
61.98828	4.6
62.52698	0.5
67.01878	0.5
71.01385	5.2
72.99313	0.5
73.02934	1.2
75.00890	0.5
81.03455	1.1
83.01385	3.5
85.02958	2.1
87.00900	0.6
89.02447	4.6
95.01395	1.1
97.02959	1.4
97.08038	0.4
99.04530	0.5
101.02459	4.1
107.01380	4.0
108.02176	0.7
109.02957	0.8
111.00886	0.9
113.02457	2.0
119.03510	1.7
121.02953	0.6
122.03746	1.3
123.00891	6.2
124.01726	0.8
125.02447	85.8
126.02782	2.1
131.03554	0.5
133.73357	0.5
137.02487	0.5
137.05981	0.6
139.00369	2.3
139.04002	0.6
140.01141	1.6
141.01927	0.5
149.02477	3.8
150.03227	6.6
151.00357	4.9
152.01077	0.8
153.01903	0.6
162.03212	2.1
163.04076	0.6
165.05576	6.9
166.06302	0.8
167.03535	1.0
168.00624	2.8
169.01428	44.5
170.01852	1.1
177.05574	2.2
179.03494	0.6
179.05641	0.7
181.08784	0.7
183.02971	1.5
193.01335	0.7
195.06660	2.6
206.61430	0.5
207.06578	0.6
211.02475	5.1
225.07648	0.7
241.03546	2.1
253.03433	0.6
271.04596	5.2
313.05637	23.2
314.06091	1.1
343.13916	1.3
439.08792	100.0
440.09052	7.8
459.14557	0.8
491.19238	6.7
539.09625	0.6
539.21802	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	538.214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
59.66196	0.3
61.00179	0.3
61.98831	100.0
71.01387	0.9
78.95895	0.4
89.02452	0.8
93.03505	0.3
101.02483	0.4
108.02173	0.9
109.24162	0.3
125.02515	0.6
130.36649	0.3
137.02342	0.3
146.23013	0.3
152.01170	0.6
169.01459	1.1
519.18872	0.4
538.20007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.8
57.03434	3.3
57.83390	0.7
58.00581	3.3
59.01380	65.9
61.98835	4.0
68.99792	0.8
69.03436	1.3
69.23602	6.6
71.01382	53.7
72.01709	1.2
72.99305	4.0
73.02946	15.7
75.00861	1.3
76.77731	0.8
79.01897	1.1
81.03443	1.5
83.01382	7.3
85.02949	21.9
87.00883	3.8
87.04501	1.9
88.98792	2.5
89.02444	39.3
93.03461	6.6
95.01386	5.3
95.64530	0.9
96.23846	0.9
97.02943	1.4
97.06596	0.9
99.00872	4.8
101.02443	39.1
103.04016	2.0
107.01395	4.6
108.02170	20.0
109.02962	8.9
111.00851	3.2
113.02445	17.6
113.09711	1.3
114.02762	1.0
119.03510	17.1
119.35885	0.8
121.02939	2.7
121.10211	1.2
123.00878	10.1
123.04508	2.0
123.08152	1.0
124.01585	1.0
125.02447	23.3
125.09667	1.1
129.01923	1.5
131.03488	3.5
136.98911	1.2
137.02425	1.7
137.09698	2.7
139.00391	3.7
139.11250	0.8
140.01122	3.3
141.01927	1.3
141.09070	1.0
143.03484	3.6
144.36032	0.8
145.21901	0.8
149.04544	2.2
149.09691	1.0
150.64029	0.8
151.00357	4.2
152.01149	17.9
153.01920	6.7
153.05544	1.5
153.09163	2.3
159.02965	3.2
161.04553	7.5
163.06110	7.4
165.01851	1.1
167.10782	1.2
168.00630	5.9
169.01414	29.4
169.12227	0.9
170.01692	0.7
177.05766	0.9
177.09235	1.2
179.05634	6.3
187.13350	2.4
190.02721	1.0
198.06834	5.3
198.70676	0.8
199.07658	4.6
201.15054	1.0
205.07208	2.2
211.02492	11.7
216.13701	1.0
217.14426	7.5
231.15941	3.0
231.31447	0.9
242.05850	4.8
243.06543	2.3
265.09271	1.5
271.04578	17.1
288.84628	1.0
300.99634	0.9
305.15952	2.7
313.05618	3.6
315.07202	3.3
319.17719	2.2
331.06580	2.1
331.17584	3.9
345.18900	0.9
347.00333	1.2
349.18671	2.0
354.28119	0.7
357.26236	1.6
359.32312	0.8
375.10934	1.3
375.27481	30.0
376.27936	2.5
385.04541	1.2
393.21265	2.7
461.05319	1.5
475.94089	0.9
477.23422	10.4
477.30081	1.4
479.28278	2.1
493.17178	3.0
519.18347	1.3
519.31580	3.0
537.19269	37.9
537.32739	100.0
538.17517	3.5
538.19208	3.6
538.33105	11.4
560.75281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.6
57.03430	4.1
58.00584	3.4
59.01379	75.6
60.99280	1.4
61.68888	1.0
61.98825	2.3
67.01900	1.2
69.03442	3.4
70.26374	3.3
71.01383	66.0
72.99303	4.2
73.02945	11.8
81.03437	1.4
83.01381	6.8
85.02950	18.6
85.09831	1.0
87.00887	4.6
87.04504	1.8
88.98820	5.0
89.02446	55.1
93.03027	0.9
93.03468	9.3
95.01380	5.7
97.02958	2.5
97.06607	1.7
99.00875	3.4
101.02443	41.0
107.01414	3.1
108.02176	50.2
109.02987	8.5
109.06514	1.1
111.00882	5.2
111.08199	1.2
113.01714	1.8
113.02451	22.5
113.09729	1.1
119.03497	18.5
121.02943	3.8
122.03648	0.9
123.00880	7.9
123.04568	1.2
123.08113	2.1
124.01648	1.3
125.02446	29.3
127.00368	1.1
131.03502	4.3
135.08180	1.1
136.98811	1.6
137.00241	1.1
137.02437	5.8
137.09747	1.3
139.00351	5.5
140.01176	4.7
141.09213	1.0
143.03506	4.4
146.03719	2.5
149.04524	3.9
151.00349	3.1
151.99988	1.6
152.01151	24.1
153.01984	6.1
153.09186	2.5
159.02913	1.2
161.04568	10.5
165.01958	1.4
168.00620	5.6
169.01431	29.7
169.09343	0.9
170.01814	1.2
173.11845	1.3
177.05586	1.1
177.09094	2.0
179.05621	6.8
179.07144	2.8
179.10753	1.4
187.13377	3.9
195.10172	1.0
199.07640	3.8
201.14964	1.1
205.12303	1.8
206.00473	0.9
211.02451	9.0
216.13660	2.2
217.14386	5.8
243.06622	9.1
271.04526	12.4
287.43927	1.2
297.06149	1.8
313.05536	3.3
315.07184	2.3
331.06656	2.0
345.19272	1.2
349.18866	2.3
363.20300	3.8
375.11206	1.8
375.27493	33.7
376.27686	4.1
379.19724	15.6
461.05716	1.9
477.23581	1.4
486.63370	1.4
493.17130	3.7
519.18719	13.5
519.31506	5.0
520.19025	2.1
537.18982	27.5
537.32758	100.0
538.21149	4.4
538.33118	11.3
559.21735	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71881	1.0
55.59858	1.0
59.01381	46.4
61.98822	3.8
66.66849	1.0
69.03451	1.5
71.01383	31.1
72.99305	2.0
73.02936	3.2
75.27314	1.0
78.95895	4.1
85.02946	4.1
87.00838	1.1
89.02450	54.0
97.02955	2.9
98.20660	3.7
99.00860	2.6
101.02445	17.6
101.88767	1.2
108.75524	1.2
113.02445	5.9
117.03468	2.6
119.03500	2.8
123.00891	1.2
125.02446	21.7
131.02090	1.1
131.03505	25.7
143.03476	2.7
149.04553	19.4
152.99551	5.1
161.04547	1.7
169.01384	2.6
173.04576	1.2
183.13902	100.0
184.14241	4.2
184.22855	1.0
191.05635	12.1
197.11803	6.8
211.13391	1.3
233.06558	1.6
253.69229	1.4
275.07605	1.4
293.08817	16.7
309.03995	6.9
309.20792	2.8
331.05975	1.7
375.04980	1.8
382.67334	1.5
477.23434	3.6
537.08301	14.3
537.25159	9.2
538.08545	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	537.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61385	1.9
59.01378	100.0
61.98825	3.4
63.72075	1.8
71.50543	3.7
79.95735	17.6
80.96487	3.8
81.63738	2.0
84.91878	2.2
94.01324	2.1
96.96014	3.8
111.00871	4.4
123.00845	3.1
125.02438	2.9
125.09723	3.2
129.82642	2.0
136.98798	6.0
139.00360	6.3
140.01160	3.9
168.00661	9.8
169.01338	3.3
171.10289	16.6
177.73949	1.9
180.83777	1.7
209.11784	2.7
233.15421	4.7
249.14876	6.2
261.79050	1.9
357.24127	2.5
385.23697	2.2
445.22318	4.2
459.27405	14.1
477.28723	11.2
537.26672	29.7
538.26520	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	537.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03407	1.0
59.01380	17.1
61.98809	1.0
62.02330	0.6
65.00307	0.8
65.03956	3.7
67.01862	2.2
69.03439	1.5
71.01382	13.4
71.51704	1.0
72.99268	1.6
73.02911	2.7
79.01888	1.1
81.03461	0.7
81.60223	0.6
83.01371	1.7
85.02961	5.1
87.00833	1.1
88.98726	0.8
89.01943	1.0
89.02444	12.3
91.01900	15.4
95.01374	3.5
97.02953	1.3
99.00849	1.2
101.01802	0.8
101.02436	8.8
107.01399	4.9
109.02953	28.0
109.03697	1.4
110.03276	1.4
111.00883	1.6
113.02442	5.4
119.03507	3.8
121.03000	1.0
123.00867	8.8
123.04476	0.8
124.01682	1.5
125.02448	39.4
126.02785	1.4
127.00367	0.9
135.00888	45.3
136.01160	1.4
136.98824	1.5
137.02388	1.2
139.00378	2.5
140.01114	2.1
150.68761	0.6
151.00369	3.7
152.01108	0.9
153.01936	100.0
153.09216	0.8
154.02261	3.3
159.02794	0.6
161.04533	1.5
163.03841	0.7
165.05571	0.7
166.99893	0.9
168.00618	6.4
169.01424	51.6
170.01784	3.0
187.11284	1.2
195.13939	1.8
211.02490	4.5
233.06808	1.0
241.03607	0.8
243.06468	0.9
271.04575	4.7
285.04205	0.8
297.06421	1.5
313.05603	6.4
331.06863	1.1
357.19482	1.0
375.20288	20.4
375.27863	2.5
376.21045	2.0
385.05145	1.1
417.14053	1.1
429.10217	5.7
461.05429	5.8
461.56210	2.9
519.18799	4.5
519.32465	0.7
537.20306	36.1
537.32507	12.3
538.20331	5.0
538.33606	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.0
57.03482	1.4
58.00628	0.6
59.01380	18.8
60.12265	0.4
61.98859	1.5
67.01913	1.1
69.03491	1.9
71.01382	12.7
71.51765	0.4
72.99317	2.8
73.02942	4.6
81.03474	1.1
83.01390	2.4
85.02944	4.2
87.00903	1.5
88.98874	0.6
89.02445	13.5
95.01413	3.1
97.02944	3.0
99.00910	1.0
101.02441	13.5
103.04047	0.6
107.01408	3.0
109.02950	1.5
111.00903	1.6
113.02460	5.6
119.03501	5.0
119.05031	0.6
121.02947	0.8
123.00864	5.8
123.04509	1.0
124.01668	4.1
124.11030	0.5
125.02448	95.4
126.02810	2.1
131.03497	2.2
133.63791	0.4
136.98856	0.4
137.02367	0.7
139.00410	2.6
140.01128	1.6
141.01944	0.4
143.03479	2.3
149.04504	1.1
151.00351	3.6
151.03960	1.0
152.01059	1.2
153.01947	1.5
161.04549	5.1
162.78481	0.5
163.06096	1.5
165.01859	0.6
166.99838	1.8
167.03520	0.5
168.00636	8.0
169.01424	100.0
170.01743	3.5
179.05609	11.8
179.10718	1.5
183.02905	1.7
211.02429	2.7
221.06570	2.4
223.09596	1.0
241.70891	0.5
271.04556	2.7
287.07550	2.1
313.02328	0.6
313.05618	7.9
326.96713	0.5
331.06656	11.3
331.17352	1.0
345.19174	10.4
375.27060	1.6
449.18182	2.7
461.04971	1.1
477.23404	10.0
478.23328	0.8
493.17227	11.1
494.17065	1.0
519.18512	0.7
537.15485	36.2
537.32660	6.9
538.15723	4.0
538.32355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96431	1.3
59.01379	8.2
59.01604	1.7
60.99264	5.4
61.98825	7.8
69.03430	2.6
69.29078	13.4
71.01345	5.4
73.02942	2.3
85.02914	2.7
87.00866	1.5
88.00354	6.5
88.98812	42.7
89.02451	45.3
92.40767	1.6
93.03480	14.1
94.70131	1.3
95.01358	2.6
97.02906	3.9
101.02394	3.3
106.25418	1.4
107.01318	4.9
107.64814	1.7
113.09201	1.7
121.02887	1.9
123.00914	9.2
123.04527	1.4
124.01676	14.4
125.02449	88.3
126.02744	2.2
137.02452	38.1
139.00351	2.8
140.01082	2.8
145.37535	1.5
149.99606	17.2
151.00307	4.0
152.01105	1.9
166.99760	2.3
168.00642	38.5
169.01421	100.0
170.01624	2.7
179.10640	2.7
182.07062	1.5
209.08075	2.2
211.02315	5.8
233.93294	1.8
243.06430	4.4
260.30731	1.3
262.65665	1.4
271.04376	5.2
271.32657	1.5
302.77652	1.8
313.05432	3.9
331.06628	7.8
358.35983	1.6
393.41006	1.7
435.11530	1.7
484.57233	1.5
493.16376	1.8
537.15594	61.2
537.32080	4.6
538.16095	7.5
554.16541	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	537.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96431	1.3
59.01379	8.2
59.01604	1.7
60.99264	5.4
61.98825	7.8
69.03430	2.6
69.29078	13.4
71.01345	5.4
73.02942	2.3
85.02914	2.7
87.00866	1.5
88.00354	6.5
88.98812	42.7
89.02451	45.3
92.40767	1.6
93.03480	14.1
94.70131	1.3
95.01358	2.6
97.02906	3.9
101.02394	3.3
106.25418	1.4
107.01318	4.9
107.64814	1.7
113.09201	1.7
121.02887	1.9
123.00914	9.2
123.04527	1.4
124.01676	14.4
125.02449	88.3
126.02744	2.2
137.02452	38.1
139.00351	2.8
140.01082	2.8
145.37535	1.5
149.99606	17.2
151.00307	4.0
152.01105	1.9
166.99760	2.3
168.00642	38.5
169.01421	100.0
170.01624	2.7
179.10640	2.7
182.07062	1.5
209.08075	2.2
211.02315	5.8
233.93294	1.8
243.06430	4.4
260.30731	1.3
262.65665	1.4
271.04376	5.2
271.32657	1.5
302.77652	1.8
313.05432	3.9
331.06628	7.8
358.35983	1.6
393.41006	1.7
435.11530	1.7
484.57233	1.5
493.16376	1.8
537.15594	61.2
537.32080	4.6
538.16095	7.5
554.16541	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	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.4
65.00327	0.5
67.01891	0.8
69.60402	2.1
71.01385	3.6
78.35726	0.4
79.01887	1.1
79.63494	0.3
81.03458	0.5
82.77016	0.3
83.01367	1.0
85.02932	0.9
87.00896	0.5
89.02440	1.6
95.01383	1.5
97.02914	0.7
99.00820	0.3
101.02442	1.3
107.01400	4.1
111.00890	2.1
113.02464	0.7
123.00890	12.7
124.01620	1.3
125.02445	17.5
126.02759	0.4
127.00355	0.6
136.05255	0.4
136.98842	0.8
139.00378	5.4
139.03928	0.4
140.01161	2.4
141.01921	0.9
150.99190	0.7
151.00368	9.9
151.01584	0.5
151.07607	0.4
152.08391	0.7
153.01952	0.6
153.09209	0.9
163.11259	0.4
167.03532	0.5
168.00664	4.4
169.01425	20.8
170.01746	0.5
177.03992	0.6
179.03577	0.3
187.11234	0.3
205.12363	1.1
205.84442	0.3
211.02466	6.9
219.43660	0.3
219.45894	0.4
247.03348	0.3
253.03438	0.5
255.39420	0.4
271.04578	6.4
278.58887	0.3
311.71341	0.4
313.05688	1.2
537.19751	100.0
538.20087	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	537.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53117	0.6
55.01866	1.0
57.03447	1.6
58.00604	0.8
59.01102	1.1
59.01379	10.7
60.99319	3.3
65.00348	0.7
66.63219	0.6
67.01904	1.7
69.03459	1.5
69.43858	3.0
69.44265	0.9
71.01376	8.8
71.05013	0.6
72.99313	1.2
73.02948	2.4
79.01904	1.5
81.03466	0.9
83.01387	1.5
85.02953	4.3
86.83043	0.5
87.00877	1.3
88.98804	16.0
89.02440	5.7
95.01378	3.0
97.02959	0.9
99.00876	0.9
101.02435	5.2
107.01395	8.3
108.02180	3.7
109.02949	4.4
111.00892	3.1
113.02430	3.6
119.03516	2.0
123.00883	17.1
123.04518	0.6
124.01672	2.4
125.02441	35.7
126.02843	1.0
127.00437	1.2
130.29573	0.6
136.98840	2.5
137.02359	0.8
139.00374	7.2
139.03992	0.8
140.01178	7.1
141.01978	1.2
151.00381	8.4
151.03918	0.8
152.01122	4.3
153.01944	1.6
154.99896	0.8
161.02466	0.6
161.04587	0.6
163.03934	0.6
163.06161	0.6
165.01962	0.8
165.09297	0.8
167.03513	1.5
168.00641	11.4
169.01425	47.8
170.01797	1.1
175.65277	0.6
179.03500	0.6
187.13365	0.6
199.07635	7.9
205.12370	1.3
211.02478	32.0
212.02899	1.4
217.14639	0.7
223.13359	0.6
241.03554	1.7
261.48685	0.7
271.04572	54.9
272.04855	2.6
297.06241	1.9
307.04391	0.8
313.05615	3.0
315.07300	0.8
320.40701	0.6
331.06708	7.1
345.50122	0.6
375.27631	1.9
402.09445	0.7
447.09567	1.2
519.18561	2.6
537.19958	100.0
537.31842	10.1
538.20258	11.3
538.33228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97031	0.3
59.01106	0.8
59.01377	7.1
61.31332	0.3
61.98821	0.4
67.01899	0.5
69.96712	1.2
69.97125	0.9
71.01375	3.8
72.99303	0.6
73.02940	1.0
75.00858	0.5
81.03432	0.5
83.01373	0.7
85.02943	1.3
86.98335	0.3
87.00880	0.5
88.98806	2.3
89.02438	2.8
95.01376	1.0
98.19950	0.6
101.02465	2.6
107.01379	3.3
110.00089	0.5
111.00872	1.8
111.85992	0.4
113.02438	1.3
119.03521	0.5
123.00878	3.4
124.01689	1.5
125.02452	20.2
126.02759	0.6
136.98846	1.2
139.00388	2.5
139.04099	0.4
140.01180	2.6
140.34177	0.4
141.01913	0.5
151.00388	2.7
152.14795	0.4
153.01964	0.4
163.06161	2.1
165.01927	0.8
167.03479	1.3
168.00641	10.3
169.01421	30.9
170.01759	0.7
177.04147	0.5
183.02962	0.4
184.96335	0.4
193.01318	0.4
205.07281	0.7
211.02478	50.6
212.02866	1.2
241.03560	1.2
256.44037	0.4
263.31052	0.4
271.04581	100.0
272.04910	4.4
284.03271	1.4
285.03961	2.3
329.05173	0.4
331.06686	25.5
332.07098	1.6
447.09317	2.1
448.09567	0.5
477.23367	0.8
492.35413	0.4
507.49954	0.4
537.19794	13.8
537.32733	0.8
538.20074	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	537.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19416	1.5
55.01867	1.7
57.03444	2.8
58.00594	2.1
59.01379	71.4
61.98823	8.6
71.01382	52.5
72.39178	1.5
72.99300	2.4
73.02940	6.3
75.00874	1.9
83.01395	4.0
85.02938	14.8
87.00900	4.1
88.98819	5.0
89.02444	58.0
93.03439	4.0
95.01376	5.4
98.19926	3.6
99.00870	2.6
101.02435	28.5
103.57954	1.3
108.02153	2.3
109.02962	2.3
111.08124	2.4
113.02453	23.0
119.03490	20.4
121.02953	5.6
122.03744	8.6
123.00886	4.5
124.01693	2.6
125.02460	12.0
131.03506	4.4
136.01657	15.8
139.03970	6.9
140.01167	1.7
143.03529	3.5
144.80403	1.5
149.02438	47.5
149.04413	2.9
150.03239	68.3
151.00346	2.3
151.04027	20.0
159.03038	2.1
160.05292	1.9
161.04556	13.5
161.07668	1.4
164.04788	14.8
165.05568	71.2
166.05904	1.9
168.00598	1.5
169.01396	13.4
179.05646	20.4
179.07132	1.6
180.04288	4.9
183.10217	3.5
191.05565	2.1
195.06618	30.4
201.09518	1.5
211.02499	7.0
216.00641	1.6
229.54968	1.7
243.12198	1.6
271.04633	12.4
279.06537	2.8
283.09732	5.0
295.11963	11.4
309.11255	2.4
311.10168	1.7
312.09988	15.8
313.05707	1.5
327.12354	100.0
328.12717	7.8
331.06720	2.4
339.12344	4.8
340.12885	1.7
345.15607	2.7
347.00354	1.9
375.14713	4.3
432.35321	1.5
440.05670	1.9
477.19498	2.1
489.17496	10.1
493.17487	2.1
537.12836	6.3
537.19873	39.6
538.19983	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	537.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.0
58.00597	0.7
59.01383	6.0
65.03963	1.3
67.01892	1.6
69.03455	1.7
69.18275	4.7
69.18687	1.8
71.01388	8.7
72.99307	1.3
73.02950	1.6
79.01863	0.9
81.03481	1.0
83.01393	2.4
85.02952	2.9
89.02422	3.4
91.01892	6.7
95.01390	2.8
97.02962	1.1
99.00854	0.9
101.02428	4.6
107.01386	11.1
107.62160	0.6
109.02956	10.2
111.00887	2.2
113.02466	2.4
121.02985	0.8
123.00896	11.7
124.01744	3.1
125.02451	68.3
126.02814	1.8
127.00372	1.2
127.45072	0.6
135.00887	25.1
136.01170	0.9
136.98856	1.9
137.02370	1.0
137.06071	1.7
139.00389	6.2
140.01202	5.6
141.01970	1.4
151.00375	8.6
152.71779	0.7
153.01938	33.8
153.09201	7.3
154.02249	0.8
165.09253	3.4
166.99844	0.8
167.03494	0.9
168.00636	8.8
169.01427	93.5
170.01775	1.9
175.55714	0.6
195.03017	1.2
205.12338	1.0
211.02475	10.0
212.39235	0.7
223.02547	0.9
241.03569	3.0
243.06557	1.0
271.04596	11.4
285.03998	1.5
297.06235	3.2
313.05661	19.1
314.06097	1.3
318.82123	0.7
331.06723	1.2
349.19125	1.2
429.10248	0.8
461.05328	1.4
467.15628	8.5
468.15805	0.9
479.15604	7.2
480.15668	1.1
493.17563	0.9
519.18689	57.3
520.19232	4.7
537.19849	100.0
537.33081	3.4
538.20123	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	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03448	1.2
58.00589	0.6
59.01381	11.5
61.98823	0.9
63.97573	0.4
67.01881	0.9
68.99801	0.5
69.03461	0.7
70.52402	1.3
71.01386	12.2
72.99305	1.5
73.02937	2.6
75.00883	0.4
79.01894	1.2
83.01395	2.0
85.02953	4.6
87.00874	1.4
88.98811	1.8
89.02448	5.4
93.03458	0.8
95.01408	3.1
97.02949	1.0
99.00867	0.6
101.02443	7.9
107.01406	4.6
108.02177	2.5
109.02958	1.5
111.00903	2.5
113.02441	4.6
119.03509	2.0
121.06595	2.3
123.00889	14.8
123.04461	0.5
124.01675	1.6
125.02451	24.0
126.02789	0.7
127.00343	0.7
131.03535	0.7
135.04579	0.6
136.98793	1.2
137.02452	0.9
137.09721	5.1
139.00369	5.3
140.01178	4.4
141.01920	1.8
143.03525	0.5
151.00357	10.8
152.01082	1.4
153.01950	1.9
153.05643	0.5
161.04587	1.6
163.03990	0.5
167.03502	0.8
168.00633	5.4
169.01431	33.1
170.01787	0.8
179.03452	0.5
179.05608	0.7
179.10745	0.5
183.13963	0.9
187.13409	0.8
205.12337	1.1
206.36502	0.4
211.02477	10.7
212.02950	0.5
217.14461	1.0
227.12892	1.1
241.03481	0.8
243.06633	0.6
271.04584	11.9
271.07529	0.8
272.04938	0.8
297.06229	0.5
313.05649	3.5
331.06854	0.6
332.72855	0.4
349.18677	1.3
375.10513	0.7
375.27423	4.6
379.19684	0.6
387.09314	1.4
399.09250	4.2
477.23737	0.8
493.17181	1.4
519.18811	5.1
519.31671	1.2
537.19836	100.0
537.32330	15.8
538.20215	11.1
538.33185	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	537.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33161	0.4
55.01860	0.4
57.03453	0.9
59.01379	7.2
67.01884	1.9
68.16331	0.4
69.03445	0.9
69.60426	2.8
71.01385	7.2
72.99316	0.9
73.02943	2.3
73.44557	0.4
75.00889	0.5
79.01875	1.2
83.01389	1.5
85.02957	3.7
87.00861	0.8
89.02440	2.4
93.21243	0.4
93.33414	0.4
95.01380	2.3
97.02958	1.0
99.00893	1.0
101.02437	5.0
107.01400	5.7
108.02193	0.7
109.02950	1.6
110.00095	0.7
111.00893	3.3
111.77720	0.4
113.02443	2.7
118.19840	0.5
119.03467	0.6
119.04930	0.5
123.00888	12.3
124.01644	1.8
125.02448	33.3
126.02776	0.7
127.00359	0.8
131.03529	0.5
132.34048	0.5
135.00856	0.7
136.98804	2.1
137.02435	1.1
137.09677	0.4
138.03284	0.5
139.00378	6.7
140.01155	5.8
141.01926	1.7
151.00371	8.6
152.01071	1.5
153.01929	4.7
153.09192	0.7
158.31770	0.4
161.02460	0.4
161.04549	1.6
163.11206	0.4
165.09303	0.5
166.99854	1.0
167.03465	0.7
168.00655	7.8
169.01421	46.7
170.01746	1.6
179.10733	0.9
181.01379	0.5
183.02997	0.4
187.11256	4.8
205.12305	0.7
211.02455	8.8
214.05112	0.4
241.03622	0.7
253.03600	0.5
271.04572	8.9
287.91901	0.4
297.06174	2.0
313.05664	7.7
329.05023	0.9
331.06982	0.9
331.17325	0.5
345.19193	2.8
375.27322	1.3
409.00159	0.5
449.27750	1.4
461.05515	0.9
461.14661	0.7
477.23267	1.4
477.30148	0.9
493.17252	1.7
519.18665	4.2
526.45782	0.5
537.19836	100.0
537.31573	6.6
538.20123	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	537.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18162	1.2
50.25853	1.1
57.03449	1.5
59.01389	10.8
59.06480	1.0
59.08685	1.2
60.99318	1.6
61.98812	1.6
69.03437	1.5
70.02737	5.7
71.01385	8.9
73.02937	3.2
75.00864	1.4
76.30379	1.1
81.03458	1.3
81.05202	1.2
82.35094	1.4
83.01356	3.0
85.02954	2.8
88.98795	7.3
89.02429	5.1
95.01376	2.4
97.02954	2.2
99.46642	1.1
101.02422	4.9
107.01411	13.6
111.00879	1.9
111.04505	2.3
113.02475	2.5
119.85368	1.2
123.00889	21.1
124.01638	1.9
125.02452	63.3
135.11777	3.3
137.02399	1.3
139.00331	4.7
140.01120	2.2
141.01913	1.5
143.03490	1.4
149.09674	1.6
151.00385	12.4
152.07162	2.1
159.08128	2.4
159.11731	4.4
161.09721	9.4
165.01935	1.3
167.03445	1.3
168.00604	4.2
169.01433	100.0
170.01746	2.8
175.11279	1.7
179.10765	17.9
183.03020	1.5
193.01282	1.5
193.12320	2.1
203.10748	11.8
205.08711	2.0
211.02505	9.0
221.11778	6.1
223.09746	13.7
233.11684	1.3
265.10794	3.3
271.04544	3.7
295.11667	3.7
296.11493	1.6
313.05762	5.6
325.12897	15.5
331.06393	2.3
344.82837	1.2
385.15012	25.6
386.09711	1.1
386.15103	2.4
461.19180	2.3
493.17099	29.9
494.17267	3.7
505.18057	2.8
536.30652	1.8
537.15973	41.9
537.33264	6.5
537.39838	1.3
538.16394	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	537.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.2
66.82349	0.7
67.01893	2.0
69.03440	1.7
69.25793	5.6
71.01372	9.2
72.99316	0.9
73.02939	1.6
75.00877	0.8
79.01897	3.0
83.01386	2.0
83.05006	0.9
85.02974	2.6
89.02438	3.0
89.76456	0.6
94.22440	0.7
95.01383	2.7
97.02951	2.3
98.19941	1.8
101.02458	3.7
107.01385	14.7
107.02061	1.2
111.00880	2.2
111.04549	1.6
113.02453	3.6
121.10213	1.8
123.00879	25.8
124.01693	1.5
125.02443	68.1
126.02780	1.3
127.00287	0.7
133.10233	1.1
135.11801	2.9
136.98807	1.4
137.02391	0.9
139.00346	6.3
140.01132	2.3
141.01930	2.0
149.02478	0.8
149.09723	1.8
149.99608	0.9
151.00363	17.9
153.01926	1.7
159.08142	2.7
159.11798	3.8
161.04523	1.3
161.09709	13.3
164.04478	0.7
165.01880	0.9
167.03586	1.0
168.00591	4.7
169.01419	100.0
170.01704	2.2
177.12782	1.0
179.10750	15.6
183.03029	1.7
193.01392	1.5
193.12367	3.7
203.10767	11.7
205.08698	0.9
211.02428	9.2
221.11847	5.7
223.02536	0.8
223.09717	15.0
233.11807	1.1
251.12740	0.8
253.03502	1.4
265.10745	1.2
271.04465	0.9
281.13931	0.9
295.11880	4.2
313.05609	2.8
325.12900	17.5
326.13089	1.0
331.06631	3.0
385.15024	33.3
386.15259	2.4
402.89197	0.7
433.15549	1.0
452.40170	0.7
475.12186	0.9
493.17130	45.0
494.17456	4.3
537.16052	56.3
537.32532	5.6
538.16315	5.7
563.27844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08845	1.6
53.61409	1.3
55.01892	1.3
56.19530	1.6
58.00581	1.9
59.01382	43.2
61.98822	2.6
69.03455	13.9
69.76716	9.1
71.01010	2.4
71.01385	39.9
72.99319	2.6
73.02946	5.5
75.00866	1.5
79.01881	8.4
80.42925	1.3
81.03426	4.1
83.01394	4.9
83.05014	1.7
85.02969	7.2
89.02453	34.6
95.01377	6.5
95.91545	1.5
95.98181	1.7
97.02949	11.7
98.20553	2.6
101.02446	13.7
107.01390	31.8
108.01486	1.8
108.02178	32.9
109.02965	14.0
111.00884	2.3
111.04517	1.6
113.02426	7.7
119.03524	1.9
121.02926	2.7
121.10233	2.0
123.00874	27.7
124.01604	5.4
125.02450	100.0
126.02772	2.1
131.03474	5.3
135.00885	22.6
135.11786	5.7
136.98788	1.8
137.02423	3.3
139.00325	6.7
140.01137	1.9
141.01926	1.7
143.03505	2.5
147.44279	1.5
149.04482	4.6
149.99539	4.4
151.00386	13.0
152.01144	47.8
153.01944	41.9
159.08170	2.3
159.11751	5.4
161.04497	2.0
161.09718	14.1
165.01991	1.9
167.03464	3.2
168.00671	15.3
169.01424	96.8
170.01768	3.1
175.11209	1.9
177.12807	1.7
179.10779	25.3
183.08191	1.7
192.83936	1.5
193.01309	3.0
193.12349	4.0
195.03011	3.5
197.06084	3.7
203.10780	19.9
206.09219	1.6
209.08139	1.7
211.02502	9.6
221.11795	6.2
223.09756	21.5
231.10828	1.5
233.06662	1.5
233.11815	2.3
240.51337	1.7
243.06595	22.5
271.04599	1.9
281.14154	1.7
293.08594	2.7
295.11826	5.4
313.05615	2.9
325.12927	25.5
326.13297	2.6
327.07181	2.1
331.06699	4.1
369.07919	2.4
385.15039	47.9
385.19836	3.5
386.15366	1.8
429.10309	28.5
436.34793	1.7
493.17184	38.8
494.17560	3.2
520.17682	1.6
537.16058	64.6
538.16559	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	537.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
59.01382	11.1
61.98840	1.2
62.30248	0.9
67.01896	1.7
69.03450	1.7
69.56564	0.8
69.89469	3.5
71.01381	11.0
72.99302	1.5
73.02941	2.0
79.01880	3.5
81.03450	1.3
83.01375	3.3
85.02953	2.2
86.35154	1.0
89.02450	2.5
95.01390	4.4
97.02959	2.3
101.02438	4.1
107.01393	17.1
110.50381	1.1
111.00913	2.1
111.04538	1.2
113.02440	4.0
119.03516	1.4
120.75439	0.8
121.10225	2.2
123.00900	23.9
124.01642	2.6
125.02460	74.5
126.02765	1.7
135.11798	3.7
139.00365	7.5
139.03990	1.4
140.01184	1.9
141.01933	2.1
143.03548	1.0
146.07346	1.1
149.09705	1.8
151.00386	14.2
153.01952	1.6
159.08134	1.3
159.11797	3.7
161.09738	9.1
162.10033	1.1
165.01900	1.4
167.03510	1.2
168.00636	4.8
169.01440	100.0
170.01753	3.2
177.12816	1.8
179.10777	17.5
181.01430	1.2
182.02350	1.0
182.87775	1.0
193.01427	2.2
193.12292	2.6
203.10815	13.8
211.02551	9.0
221.11790	4.4
223.09750	15.0
233.11913	1.6
251.12971	1.4
253.03401	1.3
265.10797	3.1
271.04520	3.3
271.28406	0.9
295.11746	5.8
303.32416	1.1
313.05676	11.2
325.12943	21.5
326.13385	1.3
331.06656	4.1
385.15067	37.3
386.15320	3.0
421.30081	1.0
462.65466	1.0
493.17154	45.1
494.17273	4.8
537.16113	56.0
537.32904	1.9
538.16418	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	537.1615
Annotation	Cucurbitoside D
Peak:m/z	Relative Intensity
53.09597	0.2
59.01373	0.8
60.99283	0.2
61.98807	0.3
65.03965	0.5
66.36474	0.2
69.28941	2.0
69.29242	0.2
71.01395	0.4
72.68116	0.2
75.00887	0.2
78.62035	0.2
88.98802	1.0
89.02441	1.4
93.03458	46.2
94.03793	0.8
107.01385	0.3
121.02920	0.3
123.00842	0.7
124.01682	1.4
125.02457	4.5
128.94710	0.3
137.02443	100.0
138.02776	2.8
139.00420	0.2
149.99582	1.7
151.00308	0.5
151.05759	0.3
152.93361	0.2
158.52914	0.2
165.75743	0.2
168.00650	3.9
169.01430	1.7
271.04739	0.3
313.05701	0.3
331.06439	0.3
413.11151	0.3
537.15881	6.1
537.33307	0.3
538.16406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.6
58.00578	0.8
59.01383	12.7
61.98829	1.1
65.03950	3.5
67.01878	2.9
69.03451	0.9
69.98207	3.7
71.01384	9.2
72.99341	0.7
73.02946	2.3
74.20025	0.8
81.03430	1.3
83.01401	2.2
85.02950	3.6
87.00900	1.1
89.02454	7.1
91.01898	14.5
93.03458	0.8
95.01398	2.2
96.95074	0.7
97.02952	1.4
99.00896	1.1
101.02461	8.3
102.85486	0.8
107.01411	1.8
109.02964	28.3
111.00826	1.1
113.02435	3.3
119.03495	1.5
123.00894	5.1
124.01658	3.2
125.02456	44.9
126.02746	1.0
131.03479	1.0
135.00897	39.8
137.02502	1.0
139.00342	1.6
140.01213	1.3
149.04562	1.1
151.00360	2.1
153.01947	100.0
154.02298	1.9
159.26715	0.9
160.01704	1.1
161.04535	2.7
168.00620	3.5
169.01430	46.6
170.01747	2.0
172.14029	0.9
175.04025	0.9
179.10724	1.0
188.79904	0.9
211.02403	4.3
236.26109	0.8
263.45789	0.9
271.04553	5.9
285.04117	0.8
293.08752	1.5
313.05621	3.2
331.06619	1.6
335.17136	0.8
345.19162	12.4
346.19345	0.8
375.27539	1.3
385.04663	1.0
413.18445	0.9
429.10394	5.3
461.05536	1.2
477.23047	4.2
493.17206	6.7
519.18848	1.7
537.19055	12.2
537.32806	5.1
538.15967	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	536.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18410	0.2
59.01377	2.3
61.98832	100.0
69.54387	1.8
71.01391	1.2
73.02962	0.4
76.80511	0.2
81.03450	0.2
85.02941	0.5
89.02442	0.8
93.03462	5.8
93.04027	0.4
94.03821	1.1
94.95894	0.2
98.19964	0.6
101.02454	0.6
105.45478	0.2
107.01401	0.4
108.02181	0.3
111.00887	0.4
112.06353	0.3
113.02491	0.4
123.00897	1.0
124.96747	0.3
125.02455	2.6
127.07928	0.3
135.04643	0.2
137.02448	13.9
138.02794	4.2
139.00360	0.4
139.02827	0.3
151.00427	0.5
168.00655	0.5
168.54427	0.3
169.01440	3.1
170.01819	0.5
179.10754	0.3
180.11098	0.3
211.02470	0.3
218.15648	0.2
397.11655	0.4
398.11981	0.6
415.12637	0.3
416.13062	0.8
418.77740	0.3
441.16476	0.3
493.21085	0.5
536.15442	0.9
536.32697	0.5
537.19733	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58219	3.8
61.98836	100.0
69.76347	18.6
74.52941	3.9
85.92439	3.6
91.76748	5.0
161.00864	4.1
174.34148	4.4
184.79149	3.8
207.78348	4.1
208.04391	4.2
234.07622	4.1
347.91052	4.4
479.91199	5.1
547.85504	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	535.3125
Annotation	glas#24
Peak:m/z	Relative Intensity
53.68531	1.0
55.01871	3.9
56.25693	0.9
57.03444	2.4
58.00580	3.3
58.63385	0.9
59.01381	73.9
60.01695	1.4
61.98841	5.5
64.32404	1.0
68.99786	1.0
69.17469	9.7
71.01382	54.9
72.99301	4.1
73.02946	11.9
83.01391	6.6
85.02951	21.2
87.00885	5.1
87.04499	1.9
89.02448	46.1
95.01380	3.9
97.02960	1.0
97.06603	1.0
97.62255	0.8
98.20670	2.1
99.00882	3.3
99.08164	1.0
99.68319	0.9
101.02447	38.5
101.03111	2.1
107.01353	1.2
109.02933	1.8
110.35616	1.0
111.00886	1.7
113.02449	23.2
113.09737	1.3
114.02789	1.1
119.03500	20.7
121.10264	1.2
123.00874	3.3
125.02447	10.6
125.09735	2.2
127.11298	1.0
128.55716	0.9
129.01965	1.8
131.03528	3.2
137.09709	1.4
139.00420	2.0
140.01144	1.5
143.03497	3.4
149.04504	2.0
151.00388	3.1
151.11290	1.4
155.10698	1.2
161.02490	2.2
161.04535	8.1
167.10793	2.0
168.00636	2.8
169.01434	11.7
179.05618	9.6
185.11833	1.7
187.13438	1.6
211.02510	2.5
211.13338	1.3
215.12915	2.1
216.13644	5.4
229.14427	2.9
243.16022	1.3
245.17389	2.2
255.91460	1.0
271.04575	1.7
313.23788	1.2
319.17194	1.1
335.17010	1.1
337.23779	2.3
355.24924	3.2
358.14319	3.1
373.16446	3.7
373.21335	1.8
373.25873	32.3
374.26346	2.7
376.89603	1.1
378.18860	2.8
446.95990	1.0
499.18246	17.0
500.18634	2.2
504.64960	1.1
505.30457	1.0
517.17310	3.7
517.29822	1.0
535.18024	3.4
535.22693	7.3
535.31262	100.0
536.31635	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	534.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56424	5.3
58.66749	6.2
61.98831	100.0
69.66544	17.3
69.66959	15.6
73.16944	5.4
89.89031	5.5
96.96023	31.6
98.19927	12.0
166.49625	6.0
239.85126	6.2
520.18701	6.6
535.38263	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	535.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82759	1.6
51.66646	1.8
52.51915	1.7
57.03446	1.9
58.00612	2.4
59.01379	73.5
59.31700	1.8
61.88740	1.9
61.98845	9.8
64.03982	1.6
66.19743	2.0
71.01385	43.8
72.99321	3.5
73.02950	5.4
74.85565	1.8
78.95917	10.0
79.78142	1.9
83.01392	5.3
85.02951	9.8
86.64639	1.7
89.02448	69.3
89.39088	2.1
93.03415	2.2
95.01398	2.3
96.96020	4.0
96.96951	2.8
98.19830	2.7
98.52872	1.9
99.00858	3.5
101.02446	23.7
103.18358	1.9
108.02144	3.5
109.02947	2.5
113.02470	8.4
117.32851	1.9
119.03476	2.9
123.00893	3.8
123.04543	5.2
125.02446	36.2
131.03497	34.4
132.57890	1.9
135.04617	1.8
135.11803	11.7
136.88936	1.9
139.00290	1.9
140.01222	2.4
141.34921	2.0
143.03528	4.0
149.04547	28.5
152.01146	4.6
152.99599	3.7
167.03487	15.1
169.01447	12.5
181.12340	100.0
182.12662	5.2
191.05605	15.8
233.06619	2.3
245.04315	4.3
293.08804	19.9
307.19250	2.1
355.22574	2.2
373.24011	5.9
392.23953	1.9
475.21957	4.3
535.21350	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	535.3125
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01864	0.5
56.67578	0.4
57.03452	1.0
58.00602	0.9
59.01381	15.5
61.98829	8.7
69.17217	3.7
71.01386	9.2
72.99300	1.4
73.02962	2.2
75.00874	7.2
83.01379	1.8
85.02956	3.8
87.00882	2.7
87.01337	0.5
88.00405	0.6
88.98804	1.2
89.02448	6.5
93.03454	0.7
95.01384	0.8
96.96969	0.5
99.00879	0.9
101.02438	4.9
108.02168	0.8
109.02930	0.5
113.02462	2.9
113.85887	0.4
119.03490	1.7
121.02979	1.2
123.00896	0.8
123.04528	1.8
125.02463	3.0
137.02438	1.9
139.11278	0.7
150.03430	0.5
152.01134	1.9
167.03491	3.1
169.01439	3.8
179.03578	0.6
185.11842	5.4
211.02498	0.6
214.12029	0.6
327.21738	0.6
355.24863	4.1
373.25955	12.2
374.26093	0.7
460.06073	0.6
517.30023	1.8
535.31262	100.0
536.23730	0.4
536.31580	10.0
536.39575	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19007	0.4
54.46967	0.5
58.91615	0.5
61.98831	100.0
71.50264	0.9
73.50877	0.5
81.23869	0.5
86.83088	0.5
111.68771	0.4
137.35107	0.5
199.57001	0.5
242.06934	0.5
439.32535	0.7
471.34708	0.7
501.01395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.7
58.00579	0.9
59.01382	20.3
61.98830	5.0
68.89326	0.4
69.03450	0.9
71.00375	1.1
71.01383	12.4
72.67149	0.5
72.92966	0.5
72.99313	1.6
73.02937	2.8
80.10536	0.4
83.01377	2.2
85.02953	4.5
86.73922	0.4
87.00887	0.9
89.02449	9.0
93.03477	0.8
95.01411	1.2
97.03020	0.5
97.06611	1.1
99.00892	0.6
101.02444	9.1
103.88930	0.4
107.01411	1.3
111.00867	1.1
113.02457	4.8
113.09700	0.4
117.03457	1.6
119.03523	2.3
119.05044	2.5
120.05429	0.5
121.02958	2.7
123.00908	2.1
125.02444	8.0
126.02785	0.6
131.03526	1.9
137.02470	1.5
137.09743	0.8
139.00423	0.6
139.07661	0.5
139.11299	1.5
140.01157	0.6
145.02957	5.7
147.04555	0.9
148.04987	0.5
149.04576	0.8
151.00362	1.5
153.01938	0.8
155.10742	0.7
161.02502	0.8
161.04593	0.6
161.09598	0.4
163.03966	2.2
164.04341	0.6
164.07224	1.0
165.01901	0.5
165.05557	0.8
165.07518	0.7
165.09163	0.4
167.10777	0.5
168.00639	1.1
169.01430	8.3
170.01768	0.7
171.10266	0.6
173.06133	0.5
177.01765	0.7
185.11842	6.3
190.53452	0.4
191.05553	0.8
213.11230	0.7
214.12161	1.4
215.12869	1.4
222.64478	0.4
239.16539	0.8
241.14449	0.6
243.15999	2.1
259.06128	1.7
269.04575	1.0
273.00388	1.3
285.03989	0.4
287.05698	1.3
300.99768	0.8
311.22388	0.6
313.05545	0.5
327.18030	1.7
329.08218	3.7
335.22412	0.6
341.23285	1.9
353.23355	3.8
370.16690	0.7
371.09277	7.5
371.16846	1.2
371.24408	12.5
371.29025	0.8
372.09653	1.0
372.24310	0.7
401.21906	0.8
411.12872	2.6
473.27884	0.6
515.28491	1.4
533.16559	3.3
533.29755	100.0
534.30090	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	533.2604
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
51.98487	1.0
53.43517	0.9
55.01876	8.0
57.03450	6.1
57.38367	1.1
58.00583	3.6
58.67506	1.1
59.01382	77.7
61.98834	8.4
62.67632	1.0
65.16835	1.0
69.03433	1.1
69.26252	4.1
69.26681	5.3
71.01384	83.4
72.99293	4.0
73.02949	24.4
75.00869	1.5
83.01383	17.2
85.02955	39.5
87.00871	5.3
88.94398	1.3
89.02449	46.3
95.01405	7.1
96.95998	2.7
97.02914	3.6
99.00883	8.3
101.02448	86.9
102.02759	1.2
107.01313	1.4
111.00870	1.9
112.01666	1.6
113.02451	39.0
114.02725	1.1
119.03513	21.3
123.08189	2.5
123.53299	1.0
125.02459	7.5
126.02821	1.2
129.01889	1.0
131.03482	2.3
133.02965	11.9
135.04523	3.0
143.03514	7.4
147.08012	1.5
149.04457	1.2
159.02974	4.9
161.01144	2.2
161.02466	41.6
161.04549	31.2
162.02843	1.4
165.07686	1.3
165.09129	2.5
169.01396	5.9
179.03525	2.1
179.05553	10.8
179.10654	1.4
191.07063	4.0
209.08165	14.4
209.15352	5.9
210.08525	1.3
214.74489	1.2
260.08386	1.2
285.04108	2.0
300.99716	2.1
309.11786	1.4
327.12799	2.2
340.90482	1.1
371.13199	5.6
371.20740	77.8
372.21042	6.8
385.73273	1.2
533.16669	15.1
533.25928	100.0
534.17719	2.1
534.26337	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	533.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60353	0.9
51.15906	1.0
52.22038	1.1
57.03459	1.1
58.00591	1.4
59.01378	42.3
61.98827	7.3
67.97096	1.0
71.01382	23.1
72.99300	1.2
73.02940	5.3
77.84756	1.0
80.85371	0.9
81.03453	1.3
83.01403	1.5
85.02956	4.2
89.02448	36.0
95.01389	1.4
97.02950	1.3
99.00893	4.0
101.02446	14.7
113.02449	5.1
119.03482	2.7
123.00854	1.1
125.02448	11.4
125.03268	1.4
129.01944	1.3
130.08708	1.1
131.03502	21.7
135.11826	10.7
137.02446	1.2
143.03529	1.5
149.04565	16.2
161.04546	2.4
165.05605	2.2
169.01440	3.8
179.10780	100.0
180.11130	4.2
191.05606	12.6
209.08183	2.1
224.00024	1.1
293.08920	7.2
371.22595	1.6
426.44769	1.1
473.20261	3.2
513.55090	1.2
533.22937	2.1
533.30457	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	533.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42209	0.5
55.01869	0.7
57.03471	0.4
59.01378	13.8
61.98858	1.2
62.67558	0.5
69.16394	5.7
71.01382	11.6
71.03617	0.6
71.05019	0.5
72.14653	0.5
72.99352	1.0
73.02944	3.7
76.16296	0.5
78.56302	0.5
83.01384	1.4
85.02973	2.3
89.02447	9.9
95.01408	0.8
98.20618	0.9
99.00881	6.7
101.02453	6.5
110.03861	0.5
113.02472	3.2
117.03468	32.2
118.03799	0.7
119.03587	0.9
119.05025	15.3
121.02914	0.5
123.00916	0.6
125.02401	3.3
131.03479	1.3
133.02953	6.7
135.04526	1.5
137.02385	0.5
138.06866	1.5
145.02954	100.0
146.03296	3.4
149.04576	1.4
150.61743	0.5
153.09207	1.6
161.02435	19.9
161.04611	1.2
161.06052	0.8
162.02751	0.6
163.04005	18.2
164.04332	0.8
169.01476	2.9
173.11737	1.4
176.34801	0.5
179.03407	1.3
185.11765	0.8
191.05574	1.2
221.15378	0.8
225.14861	1.3
245.77223	0.6
269.02203	0.6
290.38290	0.6
318.62994	0.6
329.07944	1.5
353.23157	0.7
371.08786	2.2
371.24149	1.7
401.21494	1.1
533.23645	79.4
534.24231	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	533.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.3
59.01377	51.2
61.01218	2.4
61.98823	11.9
64.95079	2.0
69.03452	5.4
69.37270	2.0
71.01384	37.3
71.52030	3.6
71.61573	2.1
73.02937	9.6
74.02484	4.0
77.95646	2.1
79.05557	2.7
81.03447	2.2
83.01358	3.6
85.02958	10.5
86.02486	2.8
87.00871	10.8
89.02453	26.0
99.00906	2.1
99.05646	2.4
101.02428	16.5
107.01363	2.4
113.02445	14.9
119.03504	8.8
120.05833	4.0
123.00932	2.5
125.02466	11.1
128.03539	9.2
133.10216	2.2
135.04523	2.2
135.11823	16.4
143.04617	8.3
146.07401	4.3
147.02957	2.9
149.04523	2.2
150.63889	2.1
159.08147	5.3
159.11778	3.8
160.00693	2.6
161.04507	4.9
161.09717	32.1
168.00641	4.0
169.01480	14.7
179.05664	5.0
179.10770	87.0
180.11102	5.2
191.05513	2.7
203.10715	9.7
210.08971	2.6
221.11691	3.1
223.09758	100.0
224.10072	3.6
245.00868	3.4
254.07591	2.7
265.10867	3.4
272.08942	3.4
273.00320	2.8
288.06583	3.0
300.99835	3.9
304.05991	2.8
306.07706	21.1
316.99149	2.9
326.99417	6.0
344.98840	8.5
353.12210	4.2
371.13504	7.8
385.14999	22.0
471.15176	4.4
497.13409	2.4
515.54211	2.2
533.18555	31.7
534.19470	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	533.1873
Annotation	Syringin-4-O-beta-glucoside
Peak:m/z	Relative Intensity
59.01381	2.9
71.01383	1.3
73.02934	0.7
83.05022	0.5
85.02960	0.7
89.02423	1.0
95.01379	0.6
96.96006	1.9
99.92593	0.4
101.02433	1.0
102.37318	0.3
108.02187	1.5
109.02959	0.7
109.63477	0.3
110.82559	0.3
111.04564	0.4
113.02437	1.0
115.92088	0.4
116.92823	0.5
119.03506	0.4
122.03740	6.6
123.00909	0.7
124.01695	0.5
125.02459	0.8
128.03485	0.5
135.04532	6.8
136.01657	2.8
141.37119	0.3
147.08092	0.8
149.06053	0.5
161.04588	0.4
163.07610	0.9
165.09203	39.0
166.09512	1.6
169.01424	1.3
173.06087	0.4
179.05659	0.3
189.05573	1.3
191.07132	56.5
192.07474	2.0
209.08185	100.0
210.08516	3.7
270.98746	1.4
273.00473	0.4
298.34500	0.4
298.98416	1.6
299.99112	0.4
300.99783	1.6
371.13437	58.7
372.13748	3.9
389.20850	0.3
532.96783	1.6
533.18402	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
67.68842	1.0
69.12526	8.8
69.39422	0.8
76.69911	0.8
81.84310	0.8
95.18942	0.9
138.75877	0.9
175.77823	0.9
268.01669	0.9
412.88388	0.9
446.74252	0.9
459.18320	5.2
473.19485	2.2
496.85974	0.9
518.19501	2.9
532.20612	1.2
533.21667	2.8
548.83850	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68181	1.0
54.17611	0.9
54.90292	1.1
57.12756	1.0
61.98832	100.0
69.97817	4.1
74.36691	1.0
92.18924	1.0
98.19890	1.6
178.83684	0.9
200.35683	1.1
205.63756	1.1
206.19293	1.0
210.15160	1.1
212.94107	1.0
246.21347	1.1
261.92017	1.0
474.77231	1.1
548.64355	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	532.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58804	5.0
61.98838	100.0
71.35056	7.8
82.57258	5.4
129.54858	5.7
143.50964	5.8
265.76761	5.4
305.60367	5.2
341.81412	5.2
461.44485	5.3
474.17236	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	532.328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49778	1.1
58.28169	1.3
61.98831	100.0
80.33558	1.1
141.80510	1.3
156.07378	1.4
163.70195	1.3
172.16475	1.3
213.05542	2.1
461.30316	1.7
533.36359	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	533.126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	11.1
61.98828	16.0
69.44144	12.5
71.01392	12.6
83.01394	2.2
83.05007	2.0
85.02950	7.7
87.00859	2.1
88.98778	2.7
89.02439	5.2
93.03458	2.3
96.96001	2.7
101.02427	5.5
101.74451	2.0
102.93383	1.8
107.01409	9.3
111.00817	2.5
113.02508	1.9
114.05618	8.8
116.92832	5.7
123.00867	6.2
124.01601	3.0
125.02434	56.0
129.01921	1.9
138.12492	1.8
139.00345	3.4
140.01190	2.0
146.08223	8.2
147.08563	3.0
147.75620	1.7
151.00357	8.1
156.06703	2.7
161.04471	2.4
168.00586	4.2
169.01425	100.0
170.01672	4.5
203.03427	1.9
211.02490	9.5
215.72531	2.0
241.03508	5.1
271.04578	13.8
300.99930	1.9
313.05643	54.1
314.06079	3.4
327.08862	4.1
331.06552	1.9
380.15579	4.1
381.15939	6.3
443.11942	2.2
470.13013	87.8
471.13376	6.0
533.16931	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12870	0.8
59.01375	4.3
61.98826	7.5
69.03436	0.8
71.01381	11.7
71.05019	9.4
72.99271	0.9
73.84831	0.7
79.01881	1.0
83.01391	1.1
85.02950	2.5
85.94116	0.8
88.04042	33.6
89.02438	3.7
89.04382	0.9
95.01397	1.9
96.96004	2.9
97.02921	1.5
99.04518	3.4
101.02439	2.8
107.01387	10.1
111.00876	1.6
112.04037	2.7
113.02430	3.3
116.07182	1.9
116.92827	2.4
117.40152	0.8
123.00892	10.8
125.02444	38.5
126.02754	1.5
129.05582	1.4
139.00352	2.2
140.01208	1.2
141.01866	1.4
146.08228	65.2
147.08537	1.8
151.00351	6.4
153.01819	1.0
154.09267	0.8
165.33162	0.8
168.00639	3.1
169.01422	77.7
170.01723	2.0
200.09218	1.3
211.02481	6.0
212.03030	0.8
218.10320	38.4
219.10680	1.9
242.10376	2.2
260.11389	6.6
271.04626	1.2
298.09177	0.9
313.05621	1.7
362.14175	0.9
370.11429	11.0
380.15607	8.6
385.07657	2.6
412.12561	1.2
415.11969	0.9
460.14578	1.2
532.16718	100.0
533.17139	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	532.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	10.9
63.39115	0.9
69.42952	4.6
69.43363	2.1
71.01382	28.1
71.05017	5.1
73.02937	1.2
83.01414	1.0
85.02940	1.6
88.04046	4.6
89.02444	6.0
98.20625	2.0
101.02448	8.0
102.75954	0.8
105.00325	0.9
107.01456	1.7
111.00920	0.9
113.02460	3.1
116.07186	1.1
119.03490	2.0
119.41916	0.9
123.00869	4.7
125.02450	10.1
128.07190	3.1
139.00412	1.6
146.08240	53.8
151.00372	2.6
168.00630	1.4
169.01410	11.6
179.32506	0.9
182.80489	0.9
182.85593	0.8
211.02515	1.6
218.10402	0.9
220.46013	0.9
289.79855	1.2
308.13565	5.4
313.05765	1.8
362.14355	1.1
380.15628	59.8
381.15857	4.5
415.12323	2.0
417.73788	1.0
429.88150	1.0
460.14511	4.6
470.12961	1.1
514.15405	1.9
532.16742	100.0
533.17108	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	531.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	10.6
61.98844	0.6
67.01884	1.3
69.03460	1.0
69.21555	6.2
71.01379	7.1
72.99317	0.7
73.02930	1.7
79.01894	2.0
83.01366	1.1
84.51211	0.6
85.02941	2.0
87.04490	0.6
89.02464	1.9
93.03412	0.8
95.01377	2.1
96.96015	3.1
98.20766	1.1
101.02434	2.5
102.13237	0.7
107.01378	8.4
111.00938	1.2
113.02461	2.2
123.00885	18.1
125.02449	32.1
126.02763	1.1
127.11263	1.7
139.00362	4.4
140.01164	1.5
141.01929	1.7
151.00372	14.1
153.01888	1.0
155.65958	0.6
165.01935	0.6
166.99942	0.7
167.03610	0.9
168.00639	2.9
169.01418	53.8
170.01764	1.8
181.01430	0.9
199.13446	1.0
211.02483	6.2
217.14426	13.5
217.16530	0.7
218.14693	0.6
231.15930	1.1
241.14427	9.4
242.14458	0.7
253.03441	1.2
253.14308	0.7
260.67691	0.6
275.01886	0.8
280.07184	0.7
282.93454	0.6
300.99921	1.3
313.05566	2.0
314.60889	0.6
369.15573	1.0
373.07666	0.9
379.19739	6.6
513.19269	0.9
531.20898	100.0
532.21179	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	531.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.8
57.03446	17.8
59.01376	1.6
66.71392	0.8
67.01887	2.2
68.99805	0.8
71.01382	6.6
71.21717	1.1
72.99306	2.0
73.02934	2.3
75.00870	1.5
78.95947	0.9
83.01387	8.6
84.02159	2.0
84.14738	0.7
85.02950	100.0
86.03290	1.1
87.00883	1.0
96.96004	4.8
96.96929	1.1
99.00871	1.0
101.02442	5.0
103.02574	0.8
111.00880	28.9
119.05021	21.7
125.02461	2.2
128.95258	0.8
129.01941	74.5
145.02933	3.3
148.17969	0.8
148.36452	0.7
150.64754	0.8
157.97810	0.8
161.04572	4.4
163.03995	17.9
169.01410	1.3
177.03996	1.1
179.40178	0.9
187.02425	2.7
205.03519	43.7
206.03821	1.6
231.06471	1.6
300.99817	1.0
325.09015	1.0
513.12860	1.1
531.13385	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	531.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	2.5
57.03450	18.8
59.01374	3.8
61.98819	1.7
67.01875	1.5
68.99812	0.8
69.49452	5.0
71.01380	8.1
72.99297	1.4
73.02950	1.7
79.95712	1.4
80.91692	1.2
83.01382	9.0
83.88224	0.6
84.02161	2.7
85.02951	100.0
86.03286	1.6
89.02435	1.6
93.03442	1.1
96.96011	30.6
98.19924	0.7
98.95610	1.0
99.00887	1.1
101.02431	4.7
111.00883	24.4
114.84648	0.8
116.92849	1.0
119.05027	20.4
123.00884	1.4
125.02477	2.2
129.01942	81.2
130.02267	1.9
145.02972	2.2
146.08202	3.8
161.04536	5.2
163.04008	14.1
169.01443	3.6
177.04085	1.2
185.39008	0.9
187.02478	2.4
198.44229	0.7
205.03525	40.7
206.03844	1.5
211.02539	1.2
223.18538	0.7
231.06674	1.5
271.04514	1.4
380.15530	2.8
401.11267	0.8
433.13699	2.9
468.12234	1.0
513.12836	1.1
531.13190	8.0
532.16876	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	530.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19585	0.5
58.09704	0.6
60.02533	0.6
61.26788	0.5
61.98831	100.0
64.69656	0.5
69.21562	4.5
71.95385	0.6
73.91236	0.5
77.18169	0.5
83.79951	0.5
88.73091	0.5
128.58009	0.6
207.08846	0.6
207.16470	0.5
278.83728	0.6
280.05420	0.6
435.29477	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.9
73.21294	0.5
78.95902	15.5
96.96903	0.4
98.20764	0.7
152.00385	0.4
152.99609	2.4
168.04329	3.1
224.06912	7.6
224.08948	0.7
225.07538	0.4
242.08008	1.6
248.88007	0.4
255.23280	100.0
256.23642	6.6
361.22504	0.4
480.30936	62.2
481.31177	6.0
530.30182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02822	0.9
59.01387	1.5
61.98846	6.2
71.01386	2.8
73.02966	1.3
85.02956	1.0
96.96025	5.5
101.02481	1.6
102.59170	0.9
106.73774	1.0
107.01394	5.4
115.97670	0.9
120.38614	0.9
123.00906	5.8
123.04521	28.9
123.14741	1.0
124.01746	1.1
125.02445	27.7
126.02799	1.3
128.03535	1.1
136.98828	1.0
139.00392	1.9
140.01176	1.4
151.00352	4.2
153.05577	48.0
154.05898	1.9
168.00635	2.2
169.01419	40.2
170.01764	1.3
187.96024	0.9
191.05457	1.5
199.63257	1.0
211.02484	1.9
223.02316	1.2
271.04620	3.5
285.06921	1.0
313.02325	1.1
313.05682	17.0
467.11917	100.0
468.12286	8.7
475.99683	1.1
531.17297	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	530.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16036	0.6
58.33985	0.6
59.01382	10.4
59.97915	0.6
61.98544	1.1
61.98834	17.0
69.37840	2.4
69.38272	2.3
71.01379	7.9
72.00201	0.6
72.45141	0.6
73.02946	1.7
83.01397	0.6
85.02954	2.6
89.02448	7.6
93.03465	0.7
94.58040	0.6
95.01363	1.0
96.96973	0.6
99.00876	0.8
101.02426	4.5
107.01385	2.4
111.00876	1.4
113.02454	2.9
119.03477	2.2
119.05032	2.9
123.00890	7.0
124.01633	1.0
125.02454	13.4
131.03511	1.5
136.98753	0.8
137.02475	2.5
139.00360	3.2
140.01144	1.8
141.01958	1.0
149.04602	0.9
151.00415	5.3
161.04546	1.4
163.03983	2.7
164.07051	0.6
168.00642	4.8
169.01427	22.0
170.01770	1.4
211.02483	9.2
271.04584	8.4
280.95499	0.6
398.23068	0.6
399.23776	3.1
453.56064	0.7
467.19208	100.0
468.19495	11.4
492.23325	0.7
531.28247	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	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.4
59.01378	10.3
60.01674	0.4
60.70406	0.4
61.98835	0.6
62.48364	0.4
69.03469	0.6
70.81684	0.8
71.01378	6.5
72.99303	0.6
73.02953	0.8
83.01366	0.6
85.02946	1.1
87.00883	0.9
88.12199	0.3
89.02446	6.8
95.01395	0.4
101.02443	7.1
113.02444	3.6
113.09750	0.4
119.03490	2.0
123.00852	0.4
125.02404	0.5
134.01605	0.4
161.04549	3.2
162.41257	0.4
166.27928	0.4
167.10684	0.4
179.05606	1.5
179.14502	0.7
195.13895	8.7
196.14450	0.7
205.12325	0.6
205.15935	0.6
211.13397	0.7
223.13390	5.9
228.13695	0.8
231.21234	0.6
253.09279	32.1
254.09528	0.8
256.13120	1.2
265.21606	0.7
270.67801	0.5
275.20142	5.5
279.49103	0.4
293.21225	100.0
294.21539	6.6
370.18317	0.4
492.22217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.2
61.98572	1.5
61.98830	15.3
67.01902	2.2
68.99812	2.3
69.03428	1.7
69.65871	7.7
71.01376	6.9
72.06241	1.7
75.83837	1.8
78.95891	1.8
83.01380	4.6
87.00874	1.9
89.02413	2.2
93.03453	7.4
95.01398	19.0
96.96011	11.9
97.02886	1.5
101.02464	4.1
107.01387	19.2
109.02962	4.0
111.00877	2.8
113.02439	3.9
114.31539	1.5
114.52201	1.4
120.99289	2.7
123.00880	7.2
125.02454	61.4
129.15784	1.7
137.02443	2.7
139.00345	8.7
140.01094	4.7
151.00383	12.1
153.01962	18.1
163.04008	1.9
167.03490	2.7
168.00677	10.9
169.01416	100.0
170.01660	4.1
191.05547	2.0
193.01366	2.5
194.99352	24.4
205.01579	1.8
209.00943	1.6
211.02492	45.7
215.01941	1.9
237.00462	13.4
241.03619	7.4
247.02478	2.6
271.04559	71.1
272.04999	3.1
273.00436	2.6
291.01578	1.9
297.02448	25.6
298.02637	1.9
313.05627	37.6
331.06543	12.8
339.03543	15.4
377.07245	5.2
393.04584	5.4
453.06754	37.9
454.07101	4.3
467.11795	3.1
497.05698	28.4
498.06171	3.6
529.08209	34.8
529.15356	2.8
530.08649	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	529.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30789	0.2
53.95714	0.2
56.99851	0.2
57.03429	0.2
58.00593	0.4
59.01382	4.9
61.98839	1.3
63.19919	0.2
65.03966	0.4
67.01897	0.3
71.01382	3.8
73.02937	1.7
75.00876	0.4
77.07304	0.3
79.66028	0.2
80.96554	0.3
83.01395	0.8
85.02967	1.7
87.00862	0.3
89.02443	2.6
93.03460	57.1
94.03777	1.4
95.01405	0.4
97.02905	0.3
99.00873	0.6
101.02441	2.9
103.03979	0.3
107.01391	1.0
108.02141	0.4
113.02456	2.3
119.03506	0.9
123.00897	1.1
124.01654	0.3
125.02448	4.7
126.02779	0.4
131.03503	1.1
137.02448	100.0
138.02777	2.9
139.00323	0.4
143.03506	0.6
149.04529	0.5
151.00381	0.3
151.07674	0.7
161.04539	1.1
163.06142	0.6
168.00667	0.5
169.01428	7.4
169.46318	0.2
170.01767	0.6
177.05591	0.5
179.03406	0.3
183.02959	0.4
191.05585	0.6
205.07198	0.5
211.02522	0.3
272.05087	0.3
301.04825	0.4
377.04980	1.3
377.55386	0.6
397.22275	3.6
453.05664	1.6
453.56100	0.5
529.19519	3.3
529.26740	1.4
530.19672	0.5
546.19293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23222	0.2
50.76411	0.2
52.01710	0.2
59.01379	2.9
61.21854	0.3
61.98831	100.0
62.03426	0.2
66.79709	0.2
71.01375	1.5
71.51453	0.5
72.01774	0.3
73.02966	0.3
83.28687	0.3
85.02941	0.3
88.98834	0.4
89.02430	1.2
96.96012	0.4
101.02460	0.7
107.01395	0.4
113.02480	0.4
119.03481	0.5
123.00919	0.8
125.02435	2.3
131.03473	0.3
137.02472	0.3
139.00381	0.4
145.99405	0.2
149.04662	0.3
150.04861	0.3
151.00443	0.6
160.04066	0.4
168.00612	0.5
169.01442	2.2
170.01810	0.4
191.05618	0.4
211.02534	0.6
212.02673	0.3
271.04639	1.0
272.04916	0.4
319.11264	0.3
376.17160	0.4
377.18350	0.4
465.14224	0.8
484.19589	0.5
510.17508	0.3
528.17926	2.6
529.19537	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	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
59.01107	0.6
59.01380	6.5
61.98811	0.6
63.72352	0.4
71.01381	4.4
71.50697	0.5
73.02940	1.0
83.01372	0.8
83.05026	0.5
85.02949	1.2
87.00876	0.9
89.02455	3.2
93.03447	0.3
95.05002	0.6
96.41476	0.3
99.00883	0.4
101.02460	4.5
111.07380	0.5
111.08160	8.9
113.02467	2.2
113.09750	0.6
119.03484	0.8
137.09700	0.5
143.03539	0.6
149.09706	0.5
149.21970	0.3
155.10716	0.3
161.04492	1.6
167.10805	1.8
171.10263	0.6
177.12843	1.6
179.05595	0.6
179.10767	1.4
195.12292	0.5
195.13901	5.5
209.11819	1.0
247.20624	1.9
253.09280	16.7
273.18579	1.3
291.19650	100.0
292.20013	6.7
441.86670	0.3
514.47931	0.4
527.28540	2.4
530.86243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76868	50.7
52.28680	40.2
59.01373	55.8
75.85505	44.7
77.43095	46.2
78.32996	45.5
145.02916	49.2
162.65669	54.1
204.97386	42.2
291.19550	100.0
314.31665	49.3
350.39224	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2508
Annotation	Parvifoliside
Peak:m/z	Relative Intensity
52.62209	0.3
55.01882	0.4
57.46401	0.3
59.01387	3.4
61.98830	11.9
65.00318	0.4
67.01885	0.7
68.99801	0.3
69.03470	0.4
69.18802	0.6
69.19206	2.6
71.01373	3.3
72.99296	0.8
73.02943	0.8
78.95910	0.5
79.01891	1.0
83.01398	1.0
85.02953	1.7
89.02473	0.7
93.03468	0.3
95.01395	1.6
95.05047	0.3
97.02956	0.5
98.20629	0.6
99.00874	0.7
101.02454	2.2
107.01400	3.5
108.02156	0.6
109.02951	0.7
111.00862	2.4
113.02464	0.9
123.00001	0.7
123.00894	11.7
124.01666	1.3
125.02449	15.5
126.02816	0.8
127.00380	0.9
127.02940	0.4
135.04533	0.6
136.98830	1.0
137.02455	0.4
139.00366	5.0
140.01178	2.7
141.01955	1.7
143.04634	0.3
151.00371	9.5
152.01157	0.5
152.99605	0.7
153.01981	0.8
154.99945	0.5
161.04521	0.4
167.03586	0.3
168.00629	3.5
169.01425	19.4
170.01776	1.9
171.01924	1.1
179.03482	0.4
192.72000	0.4
211.02560	0.9
211.13409	0.7
271.04623	1.1
285.04095	0.3
313.05704	1.3
335.20718	1.8
405.58206	0.3
467.25314	0.4
527.25073	100.0
528.25409	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	527.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
59.01380	7.0
60.34293	0.4
61.44791	0.4
61.98844	1.3
65.00362	0.6
67.01899	0.8
69.03450	0.4
69.48711	1.3
69.49121	1.5
71.01383	5.8
71.52577	0.4
72.99316	0.9
73.02957	1.6
79.01920	1.2
83.01402	1.1
85.02943	2.1
87.00896	0.8
89.02464	4.5
95.01407	1.8
97.02963	0.5
99.00879	2.1
101.02456	3.8
107.01394	4.2
108.02225	0.8
109.02956	0.4
111.00886	3.0
112.95537	0.4
113.02478	1.8
119.03503	0.8
123.00895	13.3
123.04543	0.5
124.01736	0.9
125.02452	16.9
126.02843	0.6
127.00394	0.8
127.02876	0.4
129.83585	0.4
131.03542	0.8
136.98854	1.3
139.00395	6.4
140.01158	3.4
141.01965	1.3
142.73311	0.5
145.68518	0.4
149.04544	2.7
151.00362	11.4
152.00801	0.7
153.01939	1.2
163.04059	0.4
168.00632	3.8
169.01422	22.2
170.01759	2.0
171.01930	0.8
179.03534	0.6
191.05618	0.7
196.99365	0.5
211.02454	2.2
213.11473	0.6
226.99887	0.5
271.04764	1.7
285.04013	3.0
313.05753	1.8
375.05634	0.5
375.20193	0.5
446.55099	0.5
487.07346	0.5
527.25323	100.0
528.25586	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	527.2135
Annotation	Dutasteride
Peak:m/z	Relative Intensity
55.36083	0.6
55.85142	0.5
59.01379	17.3
61.98815	1.8
64.67732	0.6
65.00319	0.6
66.30189	0.5
67.01882	0.9
68.85185	0.5
69.03454	0.7
69.49743	3.6
71.01381	11.6
72.99312	0.9
73.02930	0.7
75.09315	0.5
78.91891	1.1
79.01866	0.8
83.01402	0.8
85.02955	3.0
86.76305	0.6
87.00856	0.6
89.02439	10.6
95.01403	3.1
99.00854	0.7
101.02441	8.5
107.01391	4.7
111.00855	2.1
113.02444	4.3
119.03479	3.7
123.00890	15.1
124.01650	1.3
125.02448	15.0
127.00365	0.8
131.03523	0.7
136.98790	1.2
139.00374	5.1
140.01163	2.5
141.01888	1.6
149.04587	0.7
151.00368	9.2
154.79181	0.5
159.55005	0.7
168.00667	2.8
169.01424	15.8
170.33186	0.6
195.13892	7.0
211.02477	3.8
213.14969	3.8
271.04657	1.9
284.99847	0.6
313.05783	0.5
314.75113	0.5
329.06601	0.8
357.19296	0.7
365.15146	0.9
368.30344	0.6
375.20218	28.7
376.20593	3.1
509.20206	2.6
527.21295	100.0
528.21704	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	527.2135
Annotation	Dutasteride
Peak:m/z	Relative Intensity
52.03555	0.6
52.60714	0.7
59.01376	4.5
61.82305	0.6
61.98827	3.1
63.80177	0.6
67.17684	0.5
67.20706	0.5
69.03442	2.2
71.01365	2.1
79.01889	0.9
81.03448	1.0
83.01369	1.4
85.02940	0.8
88.29407	0.6
89.02448	0.7
93.03418	0.8
95.01355	2.9
97.02937	2.8
97.96168	0.6
98.20647	2.0
101.02411	0.8
107.01393	2.8
113.02416	1.0
121.02897	0.5
123.00873	9.3
123.04491	0.6
124.00736	1.1
124.01663	30.3
125.02457	44.9
126.02763	1.2
137.02403	2.4
148.92081	0.6
149.99585	30.8
151.00372	8.2
167.03381	1.4
168.00638	54.6
169.01414	8.2
171.10178	1.2
173.13748	0.6
179.03484	0.8
193.01283	0.7
201.11282	0.8
206.50832	0.6
209.11757	1.6
213.14912	1.9
228.40709	0.6
275.22836	0.6
287.10068	0.6
313.05750	1.0
365.16174	1.5
375.27423	2.0
494.61920	0.6
527.21283	100.0
528.21588	10.5
528.29095	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2133
Annotation	Dutasteride
Peak:m/z	Relative Intensity
58.00584	0.7
59.01382	5.1
61.98825	2.2
67.01886	1.8
69.03455	1.1
69.40666	2.9
71.01385	4.4
73.02940	2.8
79.01898	1.8
80.25098	0.4
81.03458	0.4
83.01407	0.8
85.02956	0.9
89.02454	1.1
93.03457	0.4
95.01386	2.8
97.02943	0.9
97.06581	0.4
98.19959	0.8
99.00875	0.4
101.02456	1.6
107.01381	8.7
107.02064	0.7
109.02986	0.8
111.00887	1.4
113.02435	1.7
123.00883	23.6
123.04527	0.4
124.01719	0.7
125.02445	28.6
126.02815	0.8
127.00432	0.4
131.03491	0.4
136.98824	0.8
137.02426	1.0
139.00359	7.3
139.04007	0.5
140.01122	1.1
141.01964	2.5
151.00372	16.1
153.01907	1.7
165.01912	1.3
166.99910	0.4
167.14355	0.7
168.00607	2.9
169.01416	50.9
170.01735	0.9
181.01399	0.9
183.02977	1.2
183.13890	1.6
191.14336	0.6
193.01369	1.3
195.13913	1.8
197.15517	0.9
207.13898	0.5
209.15433	1.7
211.02470	7.6
213.14961	7.5
214.15392	0.5
227.16576	3.0
233.15451	1.1
237.15028	1.8
253.03490	1.6
255.16005	1.3
302.09753	0.4
313.05627	2.9
365.15881	0.9
393.14142	0.4
395.20697	0.9
467.19293	0.8
527.21271	100.0
528.21545	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	527.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65231	1.0
59.01382	5.1
61.98832	8.1
63.96230	0.8
69.03439	1.2
69.13190	0.6
71.01378	9.2
72.99324	1.0
73.02948	2.2
78.95908	1.3
78.98596	4.7
79.95736	9.9
80.96519	57.5
81.03452	1.2
83.01362	1.2
85.02949	3.7
87.00883	2.0
89.02439	1.3
94.98087	13.9
95.01404	1.2
96.95982	0.9
97.02951	1.2
98.20669	1.2
99.00869	1.1
101.02451	4.8
101.75066	0.6
106.98096	3.0
109.02956	0.7
111.00822	1.3
112.04052	5.4
113.02454	2.1
122.97605	4.5
123.00925	6.0
124.01199	1.2
125.02452	9.8
126.02802	2.7
127.02995	0.7
134.97595	4.7
135.04500	1.2
139.00377	2.3
140.01079	1.3
148.99130	4.8
151.00392	4.0
152.98616	7.5
153.00671	1.0
153.05573	0.8
161.04486	0.9
161.06921	0.7
164.98628	12.6
166.99930	0.9
168.00554	1.2
169.01398	8.2
170.01729	3.0
171.01898	1.9
181.05107	0.8
182.99681	3.5
183.13889	5.3
206.99695	2.7
211.02528	0.9
217.48611	0.8
225.00746	21.5
226.00902	0.9
229.44666	0.9
232.99368	0.7
243.01787	2.2
296.02377	0.8
299.04486	2.9
310.02344	0.7
335.20676	2.1
409.21109	0.8
453.66339	0.8
467.24820	0.9
526.23804	9.6
527.17938	100.0
527.24286	35.5
528.18109	9.9
528.24591	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.5
57.03428	1.4
58.00586	1.4
59.01383	30.0
61.98827	6.7
67.01875	1.8
71.01388	20.9
71.51917	1.5
72.99313	2.1
73.02940	2.7
76.91858	1.2
79.01849	1.3
80.96548	1.4
83.01390	3.1
85.02950	5.0
87.00880	1.8
89.02444	16.8
89.21181	1.2
95.01390	3.2
96.96014	1.9
97.02951	1.9
99.15859	1.2
101.02448	17.8
102.23411	1.2
107.01373	8.7
111.00880	4.2
113.02440	7.4
119.03483	6.3
123.00906	16.2
124.01659	2.0
125.02452	32.2
136.98781	2.4
139.00381	7.0
140.01152	5.3
141.01971	1.7
151.00345	9.1
161.04562	1.1
168.00629	9.6
169.01440	36.8
170.01738	1.9
177.09160	1.6
211.02484	24.1
219.75432	1.2
251.09671	1.1
271.04581	35.6
272.04971	2.0
331.06885	5.7
335.20682	1.7
357.15356	2.3
375.16571	33.4
376.16806	2.6
439.15851	1.2
483.18710	37.2
484.18930	3.2
509.16614	32.8
510.17035	1.8
527.17682	100.0
528.17993	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	526.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.5
60.38882	0.3
61.98834	100.0
66.27509	0.3
69.89662	1.2
71.01389	1.1
78.95926	0.4
85.02960	0.4
89.02454	0.5
95.01414	0.3
99.00932	0.3
101.02430	0.8
107.01402	0.3
111.00922	0.3
113.02472	0.3
123.00921	1.4
123.04519	0.3
124.01719	0.5
125.02448	3.0
126.02843	0.7
137.82399	0.3
139.00510	0.4
140.01155	0.5
151.00443	0.9
152.01039	0.4
168.00699	0.9
169.01427	3.7
170.01799	1.0
183.03088	0.4
213.06882	0.3
278.32217	0.3
301.03644	0.4
383.14059	0.3
467.26004	0.3
525.35529	0.5
526.20789	2.1
526.36554	0.4
527.18420	1.0
527.25140	5.6
527.32483	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.1
61.98830	100.0
69.89254	1.5
71.01379	1.3
75.00920	0.3
78.95911	0.4
85.02939	0.4
88.37126	0.3
89.02451	0.6
92.63731	0.3
95.01379	0.3
97.02995	0.3
101.02467	0.9
107.01400	0.5
108.02205	0.3
109.03008	0.3
110.74508	0.3
111.00848	0.4
120.03745	0.3
123.00866	1.8
124.01662	0.6
125.02441	5.3
126.02816	1.0
137.47472	0.3
139.00342	0.7
140.01183	0.3
151.00362	1.4
152.01190	0.4
168.00668	0.8
169.01436	5.7
170.01727	1.4
182.80077	0.3
198.75287	0.2
211.02547	0.4
211.13341	0.3
243.40627	0.3
271.04556	0.4
312.05713	0.3
466.13638	0.3
502.50427	0.3
525.35901	0.6
526.20642	3.7
526.37299	0.3
527.18622	0.9
527.25201	9.1
527.31464	0.4
550.77118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	21.6
65.71592	2.5
98.20718	4.9
106.42886	2.3
151.00385	9.1
160.43156	2.6
178.99860	2.7
196.93118	2.6
229.42184	3.2
243.02925	7.0
255.02908	17.6
271.02487	37.1
300.02753	67.9
301.03467	39.0
327.24869	2.4
451.27454	2.7
463.08817	100.0
464.09036	7.8
526.16663	8.7
527.18481	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	525.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99805	2.0
55.01875	3.2
57.03453	4.7
59.01382	85.3
61.98827	8.6
66.72359	2.1
68.39938	2.0
68.99826	2.3
69.03499	2.0
71.01387	45.9
71.51639	2.2
72.99288	2.9
73.02953	24.3
76.10387	1.9
78.95899	2.0
83.01403	18.5
85.02958	29.6
86.00116	2.5
87.00890	2.1
87.04540	1.9
89.02456	9.8
89.69936	2.0
93.85114	2.2
94.22457	2.1
95.01372	3.9
97.02962	3.8
99.00879	5.6
101.02447	62.5
113.02454	21.6
115.05038	1.9
119.03486	4.1
120.24111	1.8
125.02461	7.8
127.00372	2.3
131.03520	2.4
143.03441	3.0
151.25063	1.8
159.02992	2.4
160.72665	1.9
161.04562	16.8
163.06255	3.9
163.11252	2.0
171.10335	2.6
191.14272	2.2
194.67668	2.7
205.07185	2.3
207.10188	3.0
209.11798	2.4
225.11452	4.2
289.18088	7.6
303.13565	2.3
319.21234	98.8
319.61011	2.1
320.21539	5.0
333.22681	3.5
342.79227	2.0
343.77109	2.0
465.27042	100.0
466.27356	8.0
525.26984	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	526.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81289	1.3
59.01377	4.6
61.98832	40.7
63.14957	1.3
69.64623	8.3
71.01382	4.6
78.95888	3.5
89.02431	2.7
107.01398	2.1
121.02922	1.7
125.02476	2.5
135.00905	1.8
138.96159	1.3
148.01588	1.7
151.00366	8.3
163.00392	1.5
169.01410	2.3
178.99893	2.4
185.14799	1.4
226.02611	1.5
243.02884	6.2
254.02219	1.8
255.02997	16.1
270.99719	2.7
271.02478	40.8
272.02762	2.4
277.95200	1.4
300.02737	77.4
301.03461	33.7
352.44217	1.6
372.91199	1.8
441.55081	1.5
463.08820	100.0
464.08966	9.8
464.67657	1.6
480.49100	1.6
527.17322	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2857
Annotation	(+)-Methyl ganoderate E
Peak:m/z	Relative Intensity
54.61218	0.5
54.93003	0.5
56.14178	0.5
61.98843	0.5
69.82880	2.2
76.82010	0.6
98.19990	1.0
116.81170	0.6
215.03476	4.4
219.02927	0.6
243.02957	9.7
244.03769	3.9
256.03760	1.1
257.04498	2.4
300.09787	0.7
301.03488	1.9
302.04312	2.2
313.10739	0.7
314.11633	1.0
315.04990	0.8
327.12311	1.1
328.12674	0.7
342.14771	1.8
355.15451	1.1
356.16058	0.8
369.17139	0.9
370.17807	1.6
396.19400	0.8
409.20081	1.6
423.21606	2.6
424.22531	1.9
424.97098	0.6
437.23093	3.1
438.23975	0.9
449.26648	0.9
465.26309	1.1
466.27142	6.4
467.27557	0.7
524.27161	0.7
525.28552	100.0
526.28912	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	525.286
Annotation	(+)-Methyl ganoderate E
Peak:m/z	Relative Intensity
61.98799	0.6
109.93083	0.6
123.00911	1.0
174.03241	1.3
175.76306	0.6
181.01407	1.1
189.05618	0.7
201.01994	0.8
202.02716	1.5
203.03389	0.9
213.01852	1.1
213.05653	0.6
215.03522	0.7
217.05035	1.7
226.02742	0.6
227.03465	1.0
229.01378	5.5
230.02058	2.2
231.02927	2.3
232.03748	2.1
241.01489	2.6
241.05098	0.8
243.02956	1.3
244.03641	0.7
245.04652	2.9
246.05235	2.4
257.00870	3.7
258.01678	65.5
259.02176	4.7
259.06088	1.1
273.03928	0.8
285.04410	0.6
290.04388	2.6
303.04779	0.6
437.22971	0.7
465.26434	0.6
466.26788	2.4
467.26727	0.7
493.26059	6.6
494.26608	0.8
525.28528	100.0
526.28943	13.0
526.34882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66293	0.3
59.01382	4.6
61.98822	1.9
65.00316	0.3
67.01900	0.7
69.44778	2.3
70.64993	0.3
71.01388	3.2
72.99309	0.7
73.02927	0.5
79.01903	1.0
83.01410	0.6
83.06892	0.3
85.02960	0.8
87.00883	0.3
89.02457	1.5
93.03427	0.4
95.01384	1.6
97.02963	0.7
101.02453	2.3
107.01393	3.4
108.02190	0.4
109.02969	0.9
110.00056	0.4
111.00890	2.3
113.02448	1.4
119.03494	0.4
123.00894	13.1
123.04494	0.5
124.01719	1.4
125.02451	13.2
127.00380	0.8
136.98811	1.3
137.02441	0.7
139.00389	4.7
140.01186	3.4
141.01900	1.1
151.00374	8.4
152.01035	0.8
153.01955	1.3
153.05544	0.7
163.03993	0.5
167.03484	0.5
168.00650	3.6
169.01431	19.4
170.01776	0.8
177.72646	0.3
211.02478	5.9
211.06310	0.4
271.04590	5.7
313.05655	1.3
335.33514	0.4
410.90970	0.3
525.23462	100.0
526.23828	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	525.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03450	1.0
58.00590	1.6
59.01382	35.7
60.01720	0.5
60.99305	3.5
61.98837	4.3
64.70402	0.5
64.81685	0.6
67.01902	0.7
69.03458	1.0
69.19273	3.3
69.19699	2.4
71.01385	23.8
72.01703	0.9
72.99299	1.3
73.02952	3.3
75.89785	0.6
78.48973	0.5
79.01865	0.6
81.03446	0.6
83.01394	2.5
85.02961	4.3
87.00846	0.7
88.98814	20.2
89.02450	30.9
90.02822	0.6
93.67159	0.5
95.01398	2.0
97.02950	1.3
99.00878	2.1
101.02446	13.9
107.01392	3.8
108.02253	4.0
109.02955	2.6
111.00896	2.1
111.37979	0.5
113.02461	5.2
119.03499	2.1
119.05006	1.0
121.02945	0.6
123.00891	9.9
124.01247	2.4
125.01465	1.1
125.02460	17.9
126.02795	5.1
127.00367	1.2
127.02881	3.0
129.01942	1.2
131.03514	21.2
132.03841	0.8
136.98837	1.5
137.02432	0.8
139.00375	3.8
140.01091	2.1
141.01865	1.3
145.69206	0.6
149.04568	25.0
151.00369	6.9
152.01077	3.7
153.00865	1.6
153.01959	2.4
161.04515	0.7
163.04028	1.8
165.09232	3.1
166.09583	1.2
166.48820	0.5
168.00681	2.9
169.01433	17.3
170.01778	7.1
171.01878	6.0
191.05620	13.4
191.07193	3.6
192.07469	2.2
193.07718	1.2
209.08194	5.9
210.08507	3.0
211.02618	1.0
211.08740	2.1
221.06682	1.2
229.74661	0.6
271.04590	0.9
273.65457	0.6
285.04010	0.8
313.05634	1.8
314.06000	1.1
315.06161	2.8
373.14166	1.2
524.22241	1.0
525.15186	11.8
525.22479	100.0
526.15118	1.3
526.22754	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	525.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
56.87411	0.3
57.03445	0.3
57.77163	0.3
59.01383	2.7
61.98837	2.3
67.01886	1.0
69.03484	0.4
71.01372	2.6
72.99313	0.5
73.02943	0.6
73.04944	0.4
77.93081	0.3
79.01895	0.9
80.27435	0.3
83.01382	0.6
85.02934	1.6
89.02410	0.7
95.01391	2.1
97.02891	0.6
99.00916	0.4
100.19784	0.3
101.02431	2.3
107.01396	2.9
108.02190	0.7
109.02930	0.5
110.00077	0.4
111.00866	2.3
113.02445	0.7
123.00880	14.3
123.04501	0.3
124.01726	1.5
125.02447	14.5
126.02769	0.5
127.00381	0.9
136.98833	1.4
137.02420	0.5
139.00357	5.7
140.01187	3.4
141.01923	1.3
151.00366	10.7
151.01588	0.5
152.01025	0.5
153.01941	0.9
166.02693	0.3
168.00636	3.5
169.01427	17.1
170.01768	0.5
171.02022	0.3
179.03445	0.4
181.04988	0.6
207.54980	0.3
211.02461	1.1
262.28632	0.3
271.04654	0.9
313.05695	1.6
483.18948	0.4
525.23407	100.0
526.23676	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.198
Annotation	Abelioside A
Peak:m/z	Relative Intensity
57.03432	0.7
59.01388	5.8
59.71838	0.6
61.98841	4.0
63.72639	0.6
69.03453	0.9
70.07223	3.0
71.01377	5.0
73.02940	1.9
81.03423	1.4
83.01360	1.0
85.02968	4.4
89.02444	0.7
90.07079	0.6
93.03444	1.3
95.01399	3.6
99.00922	0.6
101.02432	2.8
108.02179	64.7
109.02965	39.0
110.03329	1.0
111.00883	0.8
113.02441	1.6
119.08622	0.9
121.94320	0.6
123.00881	3.7
123.04508	1.8
125.02470	3.8
134.80896	0.7
135.69818	0.7
139.00352	1.3
140.01154	1.5
151.00377	1.8
151.03938	1.4
152.01160	65.7
153.01949	19.4
161.04556	0.8
163.03989	1.2
165.12802	4.3
168.00589	2.9
169.01439	4.8
181.70871	0.8
183.13921	9.0
202.96037	0.6
209.11804	1.8
221.15469	0.8
226.96359	0.6
227.12773	1.0
231.14032	1.1
293.13934	1.1
315.07233	3.6
363.14285	0.8
470.69128	0.8
481.20840	4.1
507.18701	8.1
508.18948	0.8
525.19629	100.0
526.20093	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	525.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.3
52.09605	0.2
55.01868	0.3
57.03450	0.5
58.00594	0.4
59.01105	0.3
59.01385	4.4
61.98825	0.5
64.28821	0.2
67.01889	1.8
68.99790	0.2
69.03451	1.0
70.65042	0.5
71.01382	5.1
72.99300	0.8
73.02939	0.5
79.01892	2.3
81.03465	0.4
83.01385	1.0
83.05028	0.3
85.02951	3.0
85.06602	0.2
87.00882	0.3
87.04511	1.5
88.81425	0.2
89.02453	0.5
91.49155	0.2
95.01382	3.1
97.02943	1.6
97.06564	0.4
99.00868	0.4
101.02458	1.3
107.01388	9.0
109.02964	0.5
111.00874	1.0
111.04534	0.9
113.02442	1.4
113.06072	0.7
119.05001	0.3
123.00886	25.5
124.01733	1.2
125.02441	30.4
126.02819	0.6
127.00366	0.5
135.11790	0.3
135.71141	0.2
136.98827	1.1
137.02435	0.8
139.00371	7.3
139.04028	0.5
140.01180	1.7
141.01924	2.3
149.02419	0.3
151.00362	17.1
152.00732	0.3
153.01952	1.5
155.03500	0.4
160.19211	0.2
161.02469	0.2
161.13313	0.3
163.04005	0.4
165.01894	0.8
167.03464	1.2
167.10753	1.7
167.14456	0.5
168.00636	3.1
169.01414	51.8
170.01765	1.3
171.10223	0.2
177.12894	0.3
177.64343	0.2
179.03467	0.2
181.01419	0.4
182.02194	0.3
183.03038	1.4
188.65550	0.2
193.01453	1.0
195.02927	0.3
196.86018	0.2
207.13882	0.6
211.02464	7.7
211.13416	3.6
212.02849	0.3
223.02521	0.2
224.50932	0.2
225.14923	3.5
228.76102	0.2
241.03484	0.3
253.03537	1.4
253.14514	1.0
261.07288	0.2
271.04492	0.3
313.05606	3.6
321.66248	0.2
327.21747	3.8
363.14563	0.8
373.18640	0.4
438.49020	0.2
465.17746	1.2
467.26663	0.3
525.19696	100.0
526.20032	10.9
539.03827	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63678	0.2
53.39699	0.2
53.58768	0.2
55.01881	0.5
57.03445	0.6
58.00593	0.5
59.01383	4.7
61.98826	0.5
67.01902	1.8
69.03455	1.2
69.19850	2.2
71.01381	4.8
72.99326	0.6
73.02950	0.6
79.01891	2.2
81.03439	0.3
83.01408	0.6
83.05025	0.5
85.02954	2.7
85.35542	0.2
87.00879	0.3
87.04498	1.2
89.02451	0.6
95.01388	3.4
97.02946	1.4
97.06586	0.3
98.19870	0.5
99.00867	0.3
101.02412	1.1
107.01392	8.8
109.03022	0.4
109.81883	0.2
110.00101	0.4
111.00900	1.1
111.04523	0.7
113.02467	1.4
113.06106	0.8
123.00889	24.7
124.01664	1.0
125.02449	32.4
125.06099	0.8
126.02777	0.8
127.00390	0.3
136.98834	0.4
137.02470	1.0
138.03273	0.3
139.00388	6.5
139.04008	0.3
140.01195	1.6
141.01950	2.5
149.02408	0.3
151.00375	17.2
151.03900	0.4
152.00728	0.5
153.01953	1.1
155.03529	0.3
161.13257	0.2
163.00212	0.2
163.04063	0.4
165.01964	0.9
166.99820	0.3
167.03510	1.3
167.10771	1.9
168.00650	3.5
169.01430	51.6
170.01817	1.3
177.12865	0.4
179.03413	0.4
181.01460	0.7
182.02266	0.4
183.03009	1.2
193.01427	1.0
197.15697	0.2
207.02985	0.4
207.13849	0.6
211.02489	8.1
211.13408	3.9
212.02881	0.3
223.02538	0.3
225.14970	3.6
226.15343	0.4
229.14267	0.3
253.03484	1.5
253.14513	1.1
271.04565	0.3
313.05667	4.2
327.21759	2.4
354.35382	0.2
363.14420	0.7
373.18640	0.6
465.17603	0.8
525.19727	100.0
526.20093	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	525.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01381	4.0
60.01718	0.3
61.98830	13.1
67.01899	0.5
69.03449	1.9
69.27542	3.1
71.01384	4.1
72.01710	0.4
72.99310	0.3
73.02957	1.4
76.71550	0.3
79.01912	1.0
81.03465	1.1
85.02962	1.9
87.00871	0.7
88.98843	0.5
89.02469	1.8
93.03463	0.4
95.01397	1.4
97.02957	2.0
99.00864	0.5
101.02443	2.3
107.01409	0.7
111.00887	0.9
113.02464	1.4
114.02839	0.5
123.00881	3.2
123.04547	0.4
124.01674	4.6
125.02448	81.0
126.02777	1.9
137.02467	0.4
139.00369	1.6
140.01137	0.7
149.02348	0.4
151.00365	1.2
151.03998	0.6
153.05611	0.4
161.04521	0.5
166.99860	1.4
168.00645	8.5
169.01422	100.0
170.01785	2.8
172.14128	0.4
174.14375	0.3
183.02948	1.8
211.02525	1.4
214.71169	0.3
295.04471	0.4
300.99887	0.4
313.05609	3.8
324.80832	0.3
331.06680	0.5
335.04291	0.5
361.29330	0.5
362.29852	1.1
363.30096	0.4
472.43805	0.4
524.35248	7.0
525.19666	65.7
526.20050	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	525.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51525	0.5
55.01864	1.2
55.04546	0.7
57.03438	1.2
59.01379	8.4
61.98822	4.3
62.02042	0.7
67.01896	2.0
68.99805	0.7
69.03446	1.0
70.27227	2.6
71.01385	8.5
72.99300	1.5
73.02941	1.8
75.00877	0.8
79.01896	2.2
83.01399	2.2
84.73376	0.6
85.02951	3.4
87.04520	3.5
89.02428	2.1
95.01382	4.5
97.02946	2.7
99.00866	1.2
101.02454	3.6
107.01392	12.3
108.02234	0.8
111.00883	3.9
111.04520	1.0
113.02441	2.7
118.06807	0.7
119.03502	0.6
119.05016	0.8
123.00887	35.2
124.01604	2.3
125.02451	36.4
125.06053	0.8
127.00388	1.0
136.98805	2.0
137.02443	1.2
139.00369	9.9
140.01163	5.7
141.01941	3.7
145.02983	0.7
151.00371	20.4
153.01938	1.4
161.13359	0.7
167.03537	0.7
167.14336	1.5
168.00647	6.9
169.01421	65.3
170.01767	1.9
181.05025	1.0
193.01559	1.3
193.12419	0.8
207.13747	0.7
211.02469	8.0
211.13339	4.3
225.14944	5.3
253.03587	1.5
253.14493	2.1
271.04642	0.9
313.05695	3.7
318.93213	0.8
330.27359	0.7
363.14151	1.1
363.18079	1.0
364.14545	0.7
373.18668	8.4
396.17447	0.6
437.08948	0.7
465.17825	1.3
481.20538	1.6
483.18698	1.0
507.18909	0.9
525.18909	100.0
526.20526	11.3
530.90912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27129	0.4
54.54704	0.4
55.01877	0.9
59.01069	0.7
59.01380	26.4
61.98833	100.0
71.01386	6.7
71.30880	0.5
71.51997	0.4
71.52411	0.6
72.01726	0.6
72.61924	0.4
72.99314	0.7
73.02950	2.5
75.00878	0.7
78.91923	0.6
83.01395	1.1
85.02957	3.3
87.00881	0.5
89.02454	1.2
93.03484	0.5
95.01401	1.0
99.00871	0.8
101.02447	5.5
102.02790	0.6
107.01402	1.1
108.02236	0.6
111.00887	1.3
113.02478	2.2
115.33775	0.4
119.03538	0.6
123.00882	2.8
125.02450	5.4
137.02385	0.9
138.03194	0.7
139.00377	0.9
140.01160	0.8
151.00374	2.0
153.05598	0.9
161.04564	1.4
168.00644	1.0
169.01408	6.3
170.01764	0.8
179.03517	1.1
211.02562	1.5
225.11389	0.4
270.98950	0.5
271.04630	1.0
300.99881	0.7
313.05429	0.5
361.29425	1.6
362.29724	2.2
369.23129	0.4
373.18475	1.1
375.23871	3.3
417.24713	1.0
507.18915	0.6
523.34869	3.8
524.21826	2.6
524.35248	17.0
525.19165	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	524.235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25175	0.4
53.98312	0.4
59.01377	1.5
59.41798	0.4
61.98831	100.0
63.21389	0.4
70.82614	0.8
71.01386	0.7
75.00916	0.5
77.06886	0.5
85.02968	0.4
116.55685	0.4
123.00925	1.0
123.04539	0.9
125.02466	1.8
126.02824	0.5
139.00385	0.6
151.00362	1.0
153.05579	0.9
161.14146	0.5
168.00653	1.0
169.01437	2.2
170.01784	0.8
319.15500	0.6
345.13632	0.6
363.14542	4.2
459.83002	0.4
524.18878	2.9
525.19537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
56.86156	0.4
57.03450	0.6
58.00573	0.5
59.01380	29.2
60.01737	0.5
61.98830	100.0
69.22410	4.4
71.01373	7.1
72.01720	0.6
72.99297	0.7
73.02972	2.6
75.00868	0.6
83.01390	1.9
85.02946	4.4
87.00863	0.4
89.02457	1.4
93.03465	1.4
95.01392	0.9
97.02955	0.8
99.00890	0.9
101.02441	4.7
107.01400	1.5
108.02200	0.8
109.02960	0.8
109.52136	0.5
111.00901	1.6
113.02465	2.7
119.03473	0.6
123.00876	2.1
125.02445	4.3
126.02733	0.5
131.03525	0.5
136.01717	0.5
137.02437	3.5
138.03246	0.9
139.00372	0.8
140.01138	1.1
151.00372	1.6
152.01181	1.0
153.05605	0.8
159.02971	0.5
160.48503	0.5
161.04526	1.1
168.00633	2.0
169.01433	6.1
170.01743	1.0
171.13872	0.5
179.03458	2.7
181.12325	0.8
181.50154	0.5
198.79195	0.5
209.04514	0.9
211.02377	0.9
211.20059	0.6
225.11354	1.8
239.05592	2.0
249.04100	0.5
271.04440	0.6
291.15195	0.5
299.07700	1.6
300.99744	0.5
361.29529	1.7
362.29898	2.8
373.18781	0.6
375.23764	2.8
417.24982	1.4
482.17664	0.6
507.18567	0.6
523.34912	5.8
524.17706	4.0
524.35236	19.4
525.19165	10.7
525.30835	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.1
57.03450	3.1
58.00586	1.1
59.01382	15.5
61.98831	18.7
65.00290	0.6
68.99812	0.5
69.03455	1.1
69.36520	3.4
71.01382	20.8
71.79551	0.4
72.01700	0.4
72.99298	1.5
73.02949	8.8
75.00871	8.9
75.97672	0.4
79.01891	0.6
83.01392	5.6
85.02956	13.4
86.00117	0.9
87.00861	1.7
87.04518	0.9
89.02452	2.5
95.01393	2.6
97.02937	0.6
97.06591	0.4
98.20624	0.9
99.00885	4.0
101.02444	19.0
107.01415	2.3
111.00873	6.7
111.08210	0.5
113.02445	7.5
114.02807	0.5
119.03488	0.6
123.00891	4.9
123.08165	0.6
124.01655	0.9
125.02444	9.6
127.00366	1.0
129.01956	1.2
135.04521	1.5
136.98788	1.3
137.02524	0.5
139.00366	3.0
140.01154	3.6
141.01953	0.8
141.09169	0.5
143.03493	0.6
146.36253	0.4
151.00377	3.7
157.12383	0.6
157.43126	0.5
159.02960	1.8
161.04526	1.9
165.09209	0.8
167.03532	0.7
167.10710	0.5
168.00641	5.4
169.01431	11.5
171.13885	0.9
179.03468	1.2
184.31612	0.4
187.13364	1.9
191.07088	1.3
201.14917	1.8
209.08141	1.9
211.02522	2.7
217.14511	0.7
271.04617	2.4
285.77118	0.4
300.99915	0.5
313.05624	0.8
315.25351	0.7
359.27930	2.0
361.29568	17.4
362.29871	2.0
419.10394	0.5
481.17105	1.3
521.33490	0.6
523.21527	22.3
523.34833	100.0
524.21930	3.0
524.35156	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	524.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90449	0.3
59.01384	0.8
61.53744	0.3
61.98828	100.0
69.29398	2.1
71.01379	0.8
85.02991	0.4
95.01393	0.4
107.01405	0.6
108.02221	0.4
123.00906	1.3
125.02459	2.0
137.18349	0.3
139.00389	0.4
151.00380	0.9
152.01125	0.4
167.10799	0.5
168.00658	0.5
168.11131	0.6
169.01399	2.2
170.01740	0.6
187.16060	0.3
195.05754	0.3
199.48216	0.4
209.11920	0.3
211.02484	0.4
271.04346	0.4
299.05484	0.4
313.05688	0.4
360.47580	0.3
461.10953	0.4
524.18048	4.4
524.29492	0.5
525.24060	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	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
57.03444	3.3
58.00587	1.5
59.01379	31.0
61.98826	1.2
69.03448	0.7
71.01379	37.4
72.01717	0.8
72.99296	1.6
73.02945	9.8
75.00863	0.7
83.01382	5.1
85.02950	16.7
87.00864	2.8
87.04501	1.0
88.98770	0.7
89.02446	15.0
93.03418	0.5
95.01371	3.4
97.02956	1.0
99.00876	4.4
101.02441	23.6
102.02769	0.4
107.01357	1.1
108.02162	0.5
109.02962	0.6
109.06577	0.4
111.00869	3.2
113.02446	14.7
118.96012	0.4
119.03497	4.2
123.00891	4.6
123.08153	0.6
124.01662	1.0
125.02445	7.2
129.01974	0.6
129.99181	0.4
131.03488	1.5
136.98827	0.9
137.02434	1.0
137.09680	0.4
139.00357	1.8
140.01134	1.2
141.01910	0.6
143.03458	1.4
145.02951	0.7
149.04561	2.2
151.00368	3.1
153.09204	0.6
159.02998	2.1
161.04549	6.2
162.39565	0.4
168.00627	2.3
169.00029	0.7
169.01411	9.3
169.12317	0.9
171.13870	1.0
179.05545	1.2
183.02939	2.7
184.03328	0.6
187.13315	0.7
200.14064	0.4
201.14932	1.8
209.08182	0.9
211.02469	1.0
271.04596	1.2
277.21765	0.5
281.35214	0.4
313.05731	1.1
315.25681	0.6
331.17639	1.1
335.04138	0.6
353.10617	0.4
359.28107	0.9
361.29565	22.4
362.29944	1.9
375.27350	1.9
463.21725	5.7
464.22226	0.7
523.22919	25.2
523.34845	100.0
524.21973	2.7
524.35156	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	523.2701
Annotation	Okaramine L
Peak:m/z	Relative Intensity
69.83601	2.4
78.95903	1.0
83.97116	0.4
88.72275	0.5
101.54356	0.4
171.04451	0.7
196.89529	0.6
199.03928	0.6
215.03497	5.3
223.86687	0.5
242.02251	0.5
243.02968	15.0
244.03720	4.6
256.03845	1.6
257.04492	2.8
258.05002	0.6
271.06030	0.7
273.03668	0.7
286.08429	0.6
288.02585	0.7
299.09198	0.7
300.10062	0.6
301.03558	1.8
302.04251	2.9
312.10126	0.6
314.11511	0.9
315.05069	0.9
327.12509	0.5
328.13019	1.2
341.13980	0.9
342.14746	1.3
359.02209	0.7
368.16168	0.6
369.16965	1.0
370.17743	1.6
395.18631	0.7
409.20181	0.9
423.21814	0.6
435.21365	1.4
447.25195	0.6
449.23541	0.8
463.24719	1.5
464.25647	10.2
464.32034	0.9
465.26059	1.4
523.27002	100.0
524.27271	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	523.27
Annotation	Okaramine L
Peak:m/z	Relative Intensity
53.66325	0.3
55.97387	0.3
62.39502	0.3
70.18986	0.3
71.33391	0.3
95.01398	0.4
114.08303	0.3
123.00895	0.7
166.01410	0.3
173.06071	0.6
173.32707	0.3
174.03209	0.8
175.03862	0.8
181.01434	0.6
183.02983	0.7
187.03964	0.5
189.01950	0.3
189.05536	1.0
199.04085	0.4
202.02675	1.1
203.03453	1.0
213.01970	0.9
214.02596	0.6
215.03491	0.6
216.04221	0.8
217.05084	1.8
226.02774	0.6
227.03467	1.3
228.04251	0.6
229.01418	6.2
229.04935	0.6
230.02176	1.9
231.02968	1.8
232.03763	1.3
241.01401	3.1
241.05055	0.9
243.02959	1.5
244.03629	0.9
245.04497	3.7
246.05276	1.9
255.02843	0.7
257.00912	4.6
257.04575	0.4
258.01675	66.0
259.02182	4.5
259.06049	1.2
271.02390	1.8
272.03207	1.4
273.04010	1.4
273.07294	0.7
285.04013	1.1
290.04330	2.9
301.10886	0.4
303.05072	1.5
304.05881	2.2
315.12137	0.5
317.06702	1.4
343.15305	0.4
344.16156	0.6
359.11395	0.5
388.15286	0.5
390.91281	0.4
409.19919	0.4
463.24640	0.8
464.25528	1.2
468.21390	0.6
470.74762	0.6
491.24377	7.7
492.24902	0.8
523.26996	100.0
524.27350	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	523.27
Annotation	Unknow
Peak:m/z	Relative Intensity
60.85186	0.7
70.35220	2.5
91.34076	0.6
126.54946	0.7
174.03255	1.4
175.49379	0.7
189.05592	0.8
202.02750	1.4
203.03412	1.2
213.01860	1.4
216.04146	0.7
217.04985	1.7
227.03500	1.6
229.01436	6.9
230.02118	2.6
231.03098	1.1
232.03787	1.4
241.01434	3.6
241.04980	1.2
243.02988	1.6
244.03641	1.0
245.04530	3.6
246.05235	1.6
256.33948	0.7
257.00824	4.6
258.01672	67.4
259.02182	5.2
259.05954	1.0
271.02441	2.2
272.03207	1.5
273.03995	2.1
275.05643	0.8
285.04001	1.7
290.04288	2.4
303.05106	2.1
304.05902	3.7
317.06677	2.5
318.07077	0.8
371.15179	0.8
464.25726	1.4
491.24219	6.9
523.26978	100.0
524.27368	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	523.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.8
59.01378	100.0
65.34228	2.0
65.75648	1.9
71.01385	76.6
71.01782	4.6
71.51333	2.2
71.51690	2.6
72.99312	3.8
73.02946	16.1
83.01376	7.3
85.02959	23.4
87.00877	2.2
87.72352	2.0
89.02445	68.3
93.03462	2.8
96.58648	2.1
99.00877	9.3
99.98940	2.5
101.02441	58.9
113.02455	22.2
119.03489	7.0
125.02457	24.6
129.01891	2.7
131.03500	47.3
137.02420	4.5
143.03474	3.0
146.65344	2.1
147.83801	2.0
149.02525	3.8
149.04562	50.8
152.01099	2.6
153.09143	5.1
159.03052	2.9
161.04556	18.3
169.01430	7.1
172.04413	2.2
173.04607	2.0
180.06604	9.4
191.04289	2.3
191.05666	27.8
248.74387	2.2
281.10376	12.9
299.96024	2.7
311.09894	4.1
331.17627	97.2
332.17880	5.8
362.15988	9.9
443.15659	5.4
463.21887	30.1
464.21982	3.2
523.11395	8.5
523.21698	5.1
523.28955	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10949	1.4
55.01875	2.6
55.02365	1.8
57.03440	4.6
59.01382	60.8
61.98825	5.7
69.03469	1.7
70.06391	4.6
71.01382	53.8
72.99297	3.1
73.02950	15.4
75.00882	1.9
78.24313	1.3
83.01397	7.9
85.02952	17.6
85.41227	1.5
87.00868	4.6
88.98792	1.5
89.02447	28.8
95.01387	6.2
97.02964	2.8
99.00876	7.0
101.02446	40.2
105.32370	1.5
107.01388	5.6
108.02174	3.0
109.02941	3.2
113.02448	21.6
113.94678	1.6
119.03515	6.7
119.05025	2.9
122.03731	6.2
123.00910	6.9
124.01614	1.9
125.02444	23.5
131.03511	12.0
135.04506	10.2
136.01642	3.0
137.02444	3.5
139.00414	2.1
143.03502	3.8
149.04593	8.4
151.00354	4.5
151.04117	1.5
152.01140	2.7
159.02980	4.2
161.04546	20.3
163.07660	1.8
165.09206	34.9
168.00633	3.3
169.00018	2.2
169.01434	30.1
169.12325	2.9
179.05676	3.2
191.05626	4.9
191.07138	49.4
192.07417	3.1
193.01486	1.6
209.08186	100.0
210.08539	6.1
221.06660	3.1
233.06726	1.8
241.48911	1.7
272.04929	1.6
275.01825	1.5
285.04163	1.6
300.99799	2.4
313.05695	13.5
331.17624	97.9
332.17831	5.9
361.29327	4.0
371.13455	21.5
372.13770	2.2
460.18869	2.6
463.21832	19.3
464.22296	2.4
484.55469	1.7
488.00961	1.7
506.95447	1.5
523.14575	21.5
523.21472	15.7
523.35193	19.2
524.15002	2.4
537.99530	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.1
57.03444	2.5
58.00578	1.9
59.01381	100.0
61.98826	6.1
69.14316	7.9
69.14738	9.9
71.01383	65.7
72.99306	2.9
73.02946	13.6
83.01408	7.1
85.02949	22.3
86.04755	2.0
87.00885	2.5
88.98813	3.3
89.02448	58.4
95.01379	2.1
98.19881	4.7
99.00902	6.8
101.02451	46.6
113.02447	21.6
119.03510	13.3
120.99641	12.7
123.00875	2.3
125.02415	14.7
131.03506	36.4
137.02368	1.6
139.00403	2.2
143.03511	3.7
149.04553	33.3
151.00322	3.5
155.10793	3.8
159.03017	3.1
161.04579	13.7
165.05652	3.0
168.00659	4.1
169.01390	13.0
173.04457	2.5
179.05576	8.3
180.07922	4.6
186.32861	1.7
191.05583	22.1
191.07167	2.1
194.05894	2.1
199.09764	2.4
209.08197	4.8
211.02489	5.9
221.06694	1.8
271.04688	9.1
313.05621	4.8
313.16409	2.9
331.06882	2.4
331.17694	65.6
332.17902	6.2
359.14868	2.9
360.15283	2.7
361.16431	20.9
420.74374	1.9
460.18839	2.4
463.21805	25.7
523.14325	13.1
523.22064	9.0
523.27710	6.6
544.86243	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	523.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03423	1.0
59.01381	5.1
61.98820	1.9
67.01888	1.0
69.03447	1.0
69.34676	3.4
70.86483	0.5
71.01050	0.6
71.01382	5.3
72.99289	1.3
73.02938	2.2
79.01882	0.9
81.03440	0.6
83.01392	1.0
83.05040	0.7
85.02956	3.0
87.00897	0.8
89.02428	1.4
95.01375	2.5
96.54184	0.5
97.02939	0.6
99.00870	0.8
101.02452	2.8
107.01388	4.5
108.02193	5.0
109.02938	3.5
111.00898	2.8
113.02443	2.3
123.00887	14.0
123.04451	0.9
123.08106	0.6
124.01623	1.8
125.02444	18.4
127.00362	0.7
136.98790	0.9
137.02461	1.1
139.00371	4.7
140.01186	2.7
141.01921	1.3
145.06592	0.6
151.00365	8.7
152.01152	5.7
153.01945	2.5
161.04539	1.4
163.04004	0.7
168.00677	4.4
169.01424	24.5
170.01791	1.3
177.04013	0.5
179.03548	0.6
181.05014	0.6
189.05597	0.6
191.07214	0.5
193.01366	0.5
209.08163	1.6
211.02480	4.4
214.97112	0.4
271.04614	4.5
272.04846	1.1
273.05212	1.0
273.30261	0.5
273.84363	0.5
300.99771	1.1
313.05576	1.3
315.07248	1.4
325.41168	0.5
361.29437	0.5
505.13147	0.6
523.14685	8.7
523.21796	100.0
523.34735	4.0
524.15027	0.9
524.22162	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	523.2188
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
51.69078	0.6
55.01891	1.4
57.03449	1.9
58.00583	0.7
59.01383	10.4
61.48075	0.6
61.98833	30.9
62.98551	1.0
66.37058	0.7
67.01881	1.7
69.29702	5.9
71.01388	11.9
72.99305	1.2
73.02951	3.4
79.01895	1.5
83.01379	2.7
83.05004	0.9
85.02959	5.4
87.00892	1.6
89.02454	3.8
91.73751	0.7
93.03482	1.5
95.01378	3.3
97.02958	1.8
99.00838	0.7
100.66492	0.7
101.02446	6.8
101.05736	0.7
107.01414	7.0
108.02187	9.3
109.03053	4.8
110.03273	1.0
111.00891	3.8
113.02457	4.5
119.03496	0.8
122.03750	10.1
123.00889	17.2
123.04552	3.9
124.01717	4.5
125.02454	27.3
126.02802	1.1
135.00948	0.6
135.04556	0.7
136.98827	2.1
137.02452	3.2
139.00381	7.2
140.01186	3.4
141.01930	2.3
143.03532	0.9
151.00377	12.7
151.03937	1.0
152.01147	6.3
153.01869	3.7
154.01569	1.2
158.15843	0.7
161.04556	1.9
163.03996	1.9
165.02013	0.8
168.00645	6.4
169.01434	38.9
170.01785	1.2
177.05632	0.7
179.03459	1.6
181.04987	0.8
183.26665	0.7
203.81308	0.7
211.02452	2.5
211.13423	7.0
213.03003	0.9
229.01379	0.7
229.14436	4.7
271.04745	3.4
272.04807	1.9
273.05042	2.0
287.22192	0.8
301.00037	0.9
313.05637	2.6
317.13727	0.9
325.20081	1.1
361.29492	3.7
449.27646	1.4
479.18591	1.4
487.25412	0.7
493.51233	0.8
522.33386	1.9
523.22534	100.0
523.34192	16.6
524.22711	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	523.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03423	1.0
59.01381	5.1
61.98820	1.9
67.01888	1.0
69.03447	1.0
69.34676	3.4
70.86483	0.5
71.01050	0.6
71.01382	5.3
72.99289	1.3
73.02938	2.2
79.01882	0.9
81.03440	0.6
83.01392	1.0
83.05040	0.7
85.02956	3.0
87.00897	0.8
89.02428	1.4
95.01375	2.5
96.54184	0.5
97.02939	0.6
99.00870	0.8
101.02452	2.8
107.01388	4.5
108.02193	5.0
109.02938	3.5
111.00898	2.8
113.02443	2.3
123.00887	14.0
123.04451	0.9
123.08106	0.6
124.01623	1.8
125.02444	18.4
127.00362	0.7
136.98790	0.9
137.02461	1.1
139.00371	4.7
140.01186	2.7
141.01921	1.3
145.06592	0.6
151.00365	8.7
152.01152	5.7
153.01945	2.5
161.04539	1.4
163.04004	0.7
168.00677	4.4
169.01424	24.5
170.01791	1.3
177.04013	0.5
179.03548	0.6
181.05014	0.6
189.05597	0.6
191.07214	0.5
193.01366	0.5
209.08163	1.6
211.02480	4.4
214.97112	0.4
271.04614	4.5
272.04846	1.1
273.05212	1.0
273.30261	0.5
273.84363	0.5
300.99771	1.1
313.05576	1.3
315.07248	1.4
325.41168	0.5
361.29437	0.5
505.13147	0.6
523.14685	8.7
523.21796	100.0
523.34735	4.0
524.15027	0.9
524.22162	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	523.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.4
59.01122	1.5
59.01382	28.4
60.39504	1.0
61.98808	1.0
63.96466	1.3
71.01016	1.5
71.01381	22.6
71.51836	1.6
72.99296	2.2
73.02949	6.1
83.01381	3.8
85.02953	9.6
87.00851	2.4
89.02451	11.5
95.01377	3.1
96.96026	1.4
99.00867	3.3
101.02451	16.8
108.02164	1.7
109.02941	6.0
113.02444	8.0
119.03476	4.2
119.04956	1.1
121.02948	11.9
122.03758	10.5
123.00861	1.4
123.04533	2.5
124.01630	1.7
125.02458	6.0
131.03470	2.4
135.04480	1.9
147.04535	7.8
149.04503	2.2
151.00377	1.6
154.02629	1.4
155.10735	1.9
161.04562	2.5
161.06006	2.4
165.05566	20.3
166.05931	1.2
169.01393	5.0
175.07635	1.5
179.05647	1.7
179.07111	8.0
187.03036	1.0
191.07188	2.6
199.09747	1.6
209.08116	5.0
298.12085	1.8
313.14514	1.9
315.12366	1.6
316.52783	1.0
328.13135	1.5
331.17767	7.8
343.15448	4.4
346.14203	8.9
347.14862	2.1
361.16556	82.9
362.17010	6.4
374.56564	1.3
459.69604	1.2
463.21735	4.5
523.15088	4.1
523.21765	100.0
524.15173	1.3
524.22150	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	523.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.7
57.03447	1.0
58.00585	0.3
59.01382	6.0
61.98830	0.4
65.00325	0.4
67.01893	1.2
68.99816	0.4
69.03453	0.5
69.39082	0.8
71.01384	6.3
71.40409	0.1
72.99304	0.8
73.02953	1.6
75.00873	0.2
79.01891	1.3
81.03455	0.2
83.01386	1.5
83.04995	0.1
85.02950	2.9
86.00124	0.1
86.15034	0.1
87.00881	0.5
89.02446	2.0
95.01392	2.4
97.02976	0.6
99.00882	0.6
101.02444	4.3
102.02771	0.1
107.01392	5.2
107.05006	0.1
109.02942	0.2
110.00118	0.4
111.00879	2.7
112.98826	0.1
113.02456	2.1
119.03480	0.6
123.00892	15.4
123.08195	0.2
124.01742	1.3
125.02452	16.5
126.02776	0.3
127.00393	1.0
135.04578	0.2
136.98808	1.5
137.02437	0.5
137.09720	0.2
138.03110	0.1
139.00375	5.9
140.01173	3.4
141.01939	1.9
143.03551	0.2
145.02917	0.1
151.00371	11.9
151.04019	0.4
151.71283	0.1
152.00720	0.2
152.07191	0.1
153.01949	0.8
154.99825	0.3
159.02975	0.3
160.98474	0.1
161.04535	0.6
163.04041	0.5
165.05563	0.2
165.12946	0.1
166.99841	0.3
167.03610	0.2
168.00650	3.4
169.01427	21.0
170.01764	0.5
173.02420	0.1
177.04002	0.3
179.03488	0.4
181.05084	0.5
183.03000	1.2
191.03551	0.2
193.04996	0.1
195.02946	0.2
201.14871	0.2
209.04611	0.3
209.08136	0.1
209.15521	0.8
211.02457	1.4
223.02464	0.1
253.03572	0.5
271.04596	1.1
313.05685	1.2
317.17511	0.1
329.05060	0.1
335.04071	0.3
359.28104	0.3
361.29526	1.9
460.54440	0.1
463.22107	0.1
522.34113	0.1
523.21875	100.0
523.33514	10.0
524.22198	11.7
524.35181	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
57.03456	0.5
59.01386	3.1
65.00328	0.3
67.01886	1.0
68.99812	0.3
69.03461	0.5
69.18623	0.3
69.19023	1.1
70.92714	0.1
71.01382	3.8
72.99323	0.5
73.02948	1.2
79.01904	1.4
81.03466	0.4
83.01390	1.4
84.45408	0.1
85.02948	2.0
86.00114	0.2
87.00883	0.4
89.02445	0.6
90.90637	0.1
91.35886	0.1
93.03438	0.1
95.01396	2.1
97.02956	0.8
99.00884	0.4
101.02444	2.7
106.00607	0.2
107.01397	5.7
108.02264	0.2
109.02960	0.6
110.00107	0.5
111.00878	2.4
111.01580	0.2
113.02457	1.4
116.05745	0.1
119.03511	0.3
122.03724	1.2
123.00890	16.4
123.04524	0.2
123.08175	0.2
124.01720	1.9
125.02451	22.2
126.02790	0.6
127.00400	0.9
132.94545	0.2
135.04535	1.4
136.01694	0.4
136.98808	1.7
137.02434	0.5
137.09706	0.3
139.00377	6.5
140.01167	4.4
141.01932	1.8
147.08189	0.2
151.00371	12.6
151.03944	0.3
152.00719	0.5
153.01930	0.9
153.05505	0.2
154.99892	0.4
161.04578	0.2
163.03966	0.4
163.07669	0.3
165.09212	6.4
166.09515	0.3
167.03603	0.1
168.00642	4.0
169.01422	30.9
170.01736	0.7
177.04083	0.3
179.03471	0.5
181.05022	0.4
191.07132	8.4
192.07437	0.3
193.01462	0.1
193.05074	0.2
195.02852	0.2
197.51506	0.1
209.08189	12.7
209.15401	0.7
210.08524	0.6
210.10349	0.1
211.02478	1.9
212.02917	0.2
213.03247	0.1
215.08090	0.1
223.02411	0.4
241.03511	0.3
253.03477	0.5
271.04578	1.5
272.04868	0.4
273.05154	0.3
313.05643	6.9
314.05917	0.4
331.17648	0.6
371.13431	2.4
505.13000	0.2
523.14508	16.1
523.21729	100.0
524.14709	2.0
524.22095	10.7
524.28778	0.1
524.30536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.4
59.44619	0.6
60.38747	0.6
61.98825	1.6
69.03442	1.0
70.73058	0.6
71.01376	7.0
71.51472	1.2
72.99307	1.2
73.00836	0.6
73.02940	1.1
74.99084	0.8
85.01017	1.5
85.02948	10.2
87.00866	2.8
87.69202	0.7
89.02428	1.8
93.03456	5.3
95.01388	1.3
96.96014	1.0
97.02950	0.6
99.00835	0.7
99.04507	1.3
101.02434	2.6
107.01366	0.9
109.02953	1.6
111.00877	0.8
111.04517	2.5
113.02428	2.5
116.55936	0.6
120.99657	0.8
123.00881	2.1
123.94903	0.7
125.02446	6.3
126.02618	0.7
127.04010	2.6
131.02547	0.7
131.03484	1.7
135.04510	0.8
137.02440	0.7
140.16580	0.6
143.03442	0.9
143.05202	1.0
150.74719	0.6
151.00342	1.2
161.02478	1.4
161.04552	1.2
165.09206	1.1
168.00623	0.7
169.01422	10.5
173.04512	2.0
191.05606	64.3
192.05934	2.2
199.04207	1.0
209.08118	4.2
217.05238	4.1
253.08661	0.8
259.06366	1.0
287.05804	12.7
289.07388	0.7
297.07742	1.6
300.06586	1.9
301.07416	3.4
312.56024	0.6
313.05603	2.5
315.08734	1.9
327.07104	0.8
331.17554	4.7
343.12033	2.1
347.00354	1.0
349.13220	1.6
361.09180	1.6
371.09705	2.8
379.10400	1.5
422.32602	0.7
463.21811	1.9
523.18811	100.0
524.19501	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	523.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.7
61.98836	22.1
65.52299	1.2
67.01900	1.8
69.21815	3.2
69.22212	9.6
71.01389	8.3
72.99289	2.6
73.02950	3.1
75.00875	100.0
79.01897	2.6
81.03449	2.2
83.01379	1.9
85.02946	4.7
87.04483	2.2
89.02457	1.4
93.03441	2.6
95.01384	4.5
97.02937	3.0
101.02434	5.7
105.31867	1.3
107.01376	6.2
108.02180	54.5
109.02975	34.0
110.03258	1.8
113.02432	2.7
123.00889	15.3
123.04527	38.4
124.01646	1.7
124.04810	1.9
125.02444	18.3
137.02408	2.4
139.00366	5.3
140.01151	3.0
141.01994	1.9
151.00417	7.1
151.03952	1.7
152.01157	48.1
152.02388	2.7
153.01961	17.8
153.05576	30.9
154.05933	1.6
161.02425	2.3
167.10780	2.0
168.00626	5.1
169.01430	29.8
181.12387	9.1
198.88023	1.2
209.11905	1.5
211.02498	5.4
225.11180	2.8
229.34010	1.3
244.77234	1.4
263.12991	1.8
266.77817	1.3
267.12421	4.0
271.04617	1.8
287.22281	6.1
291.12286	2.1
309.13388	5.9
313.05563	2.2
330.40454	1.2
331.06845	1.6
369.15430	2.5
433.68137	1.5
479.19028	4.8
505.17096	4.9
523.17615	95.7
524.17957	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	523.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.7
61.98836	22.1
65.52299	1.2
67.01900	1.8
69.21815	3.2
69.22212	9.6
71.01389	8.3
72.99289	2.6
73.02950	3.1
75.00875	100.0
79.01897	2.6
81.03449	2.2
83.01379	1.9
85.02946	4.7
87.04483	2.2
89.02457	1.4
93.03441	2.6
95.01384	4.5
97.02937	3.0
101.02434	5.7
105.31867	1.3
107.01376	6.2
108.02180	54.5
109.02975	34.0
110.03258	1.8
113.02432	2.7
123.00889	15.3
123.04527	38.4
124.01646	1.7
124.04810	1.9
125.02444	18.3
137.02408	2.4
139.00366	5.3
140.01151	3.0
141.01994	1.9
151.00417	7.1
151.03952	1.7
152.01157	48.1
152.02388	2.7
153.01961	17.8
153.05576	30.9
154.05933	1.6
161.02425	2.3
167.10780	2.0
168.00626	5.1
169.01430	29.8
181.12387	9.1
198.88023	1.2
209.11905	1.5
211.02498	5.4
225.11180	2.8
229.34010	1.3
244.77234	1.4
263.12991	1.8
266.77817	1.3
267.12421	4.0
271.04617	1.8
287.22281	6.1
291.12286	2.1
309.13388	5.9
313.05563	2.2
330.40454	1.2
331.06845	1.6
369.15430	2.5
433.68137	1.5
479.19028	4.8
505.17096	4.9
523.17615	95.7
524.17957	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	523.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74428	0.5
55.01893	0.6
57.03461	0.9
59.01382	9.5
59.43753	0.7
60.60421	0.5
61.98822	0.6
66.04470	0.6
67.01903	0.8
69.03474	0.7
69.24005	4.7
71.01384	5.5
73.02972	1.0
79.01897	0.6
81.03467	0.6
83.01389	1.2
85.02943	2.2
89.02447	5.6
95.01379	0.8
95.63587	0.6
101.02430	4.0
107.01382	4.5
107.05042	1.2
108.02174	0.6
109.02950	0.7
111.00876	1.4
113.02435	1.5
119.03497	0.7
122.03736	0.6
123.00883	8.1
123.08163	9.3
125.02445	28.6
126.02785	0.8
131.03493	3.9
136.98842	0.5
139.00401	2.7
140.01157	0.9
141.01926	0.6
147.08163	3.2
149.04550	4.3
149.06053	2.0
151.00349	6.4
151.04007	3.8
152.04279	0.8
165.09204	8.6
168.00638	1.5
169.01424	36.2
170.01740	0.7
173.06079	0.6
179.05617	0.6
191.05579	2.5
191.07108	12.7
209.08185	67.5
210.08553	2.4
211.02483	0.8
223.02272	0.6
246.25868	0.6
253.03671	1.0
313.05634	9.5
314.06259	0.6
331.17618	0.9
347.00632	0.7
361.16586	1.3
371.13452	10.1
372.13910	1.0
505.13516	1.3
523.14551	100.0
524.14929	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.3
61.98817	1.7
67.01878	1.0
69.03446	1.1
69.84886	1.5
69.85281	1.0
71.01376	5.6
72.99296	0.9
73.02938	0.7
79.01890	0.8
81.03452	1.2
83.01374	1.2
85.02939	1.5
87.00848	0.9
87.94806	0.6
89.02446	0.6
95.01403	1.2
97.02955	1.2
99.00857	0.7
101.02417	1.7
107.01387	9.0
108.02200	0.7
111.00874	2.8
112.86110	0.6
113.02419	1.6
120.99608	1.2
123.00898	8.1
124.01669	1.5
125.02444	50.8
126.02759	1.5
127.00381	1.3
136.98787	2.3
137.02417	1.1
139.00385	4.3
140.01154	4.8
141.01886	1.1
151.00388	5.6
151.03979	1.2
161.02419	3.2
163.07578	0.6
165.09230	3.1
166.42836	0.6
168.00635	5.9
169.01418	64.5
170.01756	2.1
172.99818	0.5
176.04730	1.9
179.03488	6.5
180.04283	1.0
183.02957	2.4
191.07135	2.9
194.05806	5.9
195.06644	2.9
208.07460	0.9
209.08186	13.2
211.02501	1.1
241.03557	1.6
253.03723	1.0
256.70929	0.6
257.02145	0.6
297.06195	2.4
301.26459	0.5
313.05640	23.8
314.05936	1.3
327.07056	3.7
331.17490	0.9
332.71799	0.5
347.00278	1.3
364.33508	0.6
371.13385	1.8
463.21768	2.1
523.14514	100.0
524.14923	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	523.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56002	0.6
61.32508	0.7
69.32559	6.2
71.01389	1.5
80.43899	0.8
85.02966	0.8
92.17776	0.7
95.01386	1.1
97.02943	0.8
101.02428	1.7
107.01400	5.0
108.02164	5.3
111.00859	1.1
111.04520	2.2
113.02451	1.1
118.61390	0.9
121.02932	1.3
122.03691	1.1
123.00893	6.8
125.02449	23.4
126.02823	0.8
137.06146	0.8
139.00369	3.4
140.01131	1.2
141.01895	1.3
147.08150	1.1
151.00333	3.9
163.07664	1.9
164.08411	2.4
165.09212	19.0
166.09482	0.9
168.00697	3.6
169.01425	28.1
189.05646	0.8
191.07147	9.8
208.07448	2.2
209.08189	61.1
210.08530	2.1
211.02501	1.5
265.83066	0.8
271.04565	1.6
277.79730	0.8
313.05658	7.3
371.08899	1.7
371.13422	15.4
505.13474	1.0
523.14539	100.0
524.14832	9.7
528.45660	0.9
549.21027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38205	8.8
61.94826	7.8
61.98820	41.8
71.50301	10.8
80.85300	8.1
84.00904	100.0
84.95540	9.9
90.79262	9.1
94.28800	11.0
96.62845	9.5
96.92715	9.6
118.22630	9.4
118.69955	8.8
168.40762	13.8
332.46014	10.4
408.26630	35.4
437.30435	88.7
461.95923	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	523.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55178	0.7
55.70570	0.6
58.52653	0.6
59.01373	1.5
67.64696	0.7
70.84046	1.5
71.01381	1.9
95.01374	1.6
101.02436	1.3
107.01382	4.8
108.02184	4.7
110.41833	0.6
111.00862	1.1
111.04540	1.6
119.73435	0.7
121.02978	1.7
122.03716	2.5
123.00898	7.6
124.01640	1.6
125.02457	26.9
135.04559	1.0
137.06088	0.9
139.00351	4.0
140.01149	2.7
147.08182	1.2
151.00366	5.5
163.07608	1.7
164.08401	2.7
165.09218	24.0
168.00600	2.3
169.01436	35.0
173.06020	1.3
189.05537	1.2
191.07146	12.8
203.10579	0.7
208.07414	1.7
209.08191	66.8
210.08569	2.8
211.02487	1.1
260.35803	1.0
271.04688	1.3
313.05655	6.5
371.13464	13.3
372.13785	0.9
388.81546	0.9
414.86932	0.9
505.13077	1.4
523.14575	100.0
524.15033	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	522.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.8
57.03452	2.2
59.01379	68.9
60.01702	1.4
61.98829	100.0
68.99833	1.0
70.27351	2.5
71.01382	14.8
72.01717	1.2
72.99321	1.3
73.02946	3.4
75.00883	3.0
79.01917	1.7
83.01384	3.1
83.81762	0.9
85.02959	7.4
87.00874	1.3
89.02428	5.1
95.01387	4.0
97.02930	1.6
99.00885	2.6
101.02435	9.6
107.01386	6.7
111.00887	3.5
113.02458	6.3
119.03513	2.2
122.06127	1.2
123.00887	19.4
124.01671	2.6
125.02446	30.7
126.02818	3.6
127.00362	1.1
136.98778	1.9
137.02422	1.5
137.09712	1.1
139.00377	6.7
140.01166	5.9
141.01929	1.9
151.00371	13.6
152.07182	2.1
152.99623	0.9
153.01942	1.0
153.79382	1.0
161.04604	1.6
167.03494	1.2
168.00659	9.4
169.01421	44.6
170.01799	6.8
183.02975	2.2
183.13922	1.7
211.02480	27.3
211.04387	1.9
212.02855	12.4
228.13048	1.0
271.04584	35.2
272.04941	22.4
273.05170	0.9
281.09113	1.5
313.05731	2.0
331.06705	3.1
332.07181	2.9
359.28134	2.2
360.28613	2.7
373.22446	4.0
375.27664	1.4
415.23434	4.0
417.82086	1.0
417.87711	1.0
446.17355	3.9
490.15475	0.9
521.33350	4.8
522.20691	42.8
522.33075	11.7
523.22198	88.0
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
52.20269	0.6
52.75095	0.5
59.01376	4.8
61.98830	100.0
69.34049	4.7
71.01389	3.9
73.02945	1.7
75.00868	1.1
80.96515	0.8
81.03439	0.7
83.01379	0.8
85.02934	2.5
86.03307	0.8
87.00887	0.6
89.02458	2.0
93.03468	1.1
95.01373	0.8
96.01717	0.5
101.02432	1.7
107.01353	1.0
108.02174	23.5
109.02335	1.2
109.03039	13.5
110.03284	4.0
113.02431	0.7
115.80867	0.6
119.03480	0.7
119.26181	0.5
121.02961	17.0
122.03277	7.0
123.00835	0.8
123.04524	7.7
124.01180	0.6
124.04842	2.7
125.02424	2.0
137.02480	0.6
143.71054	0.6
152.01146	25.4
153.01825	10.0
153.05573	8.2
154.02319	2.6
154.05887	3.7
161.04535	0.8
161.09740	0.8
162.10007	0.9
163.11339	0.7
163.44821	0.6
169.01425	1.7
181.12335	1.5
195.25191	0.5
210.04764	0.5
211.02586	0.7
225.67598	0.5
228.07480	1.1
238.72894	0.5
240.70004	0.6
251.13550	0.6
271.04453	0.7
272.05215	0.7
315.07101	3.3
316.07458	3.5
460.15756	0.6
478.17929	13.1
479.18381	1.2
480.93161	0.5
521.33008	0.8
522.16827	21.6
522.33295	1.2
523.17914	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	522.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88232	0.3
55.01860	0.8
57.03448	1.0
58.00611	0.6
59.01379	6.0
60.64248	0.4
61.98830	100.0
69.21468	3.1
69.21875	0.8
71.01382	6.8
72.01718	0.5
72.99312	0.5
73.02953	2.6
81.09975	0.4
83.01408	1.1
85.02955	4.4
86.03282	0.4
87.00881	0.7
89.02446	1.8
95.01391	0.5
97.06633	0.5
99.00903	0.9
101.02451	6.6
102.02813	0.6
108.02200	1.7
109.02959	1.7
110.03304	0.8
111.00872	0.8
113.02452	2.3
117.24283	0.3
119.03474	0.8
121.56325	0.4
123.00854	0.6
123.08187	0.6
125.02415	1.0
152.01160	1.9
153.01788	0.9
159.03000	0.9
161.04564	1.1
169.01413	0.9
187.13391	0.5
201.14973	0.9
211.02583	0.6
234.56071	0.4
271.04575	0.6
272.05008	0.6
359.22217	0.4
359.23669	0.5
359.27997	4.2
360.28342	3.5
363.20032	0.6
431.26550	0.5
449.27307	0.5
478.18112	1.4
521.33301	11.0
522.16882	2.6
522.33649	21.8
523.17651	0.4
523.21899	1.1
523.34357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
57.03450	2.9
58.00582	1.9
59.01382	39.4
61.98815	2.2
63.20923	0.5
66.83078	0.5
67.01888	0.6
68.99804	0.8
69.03433	0.8
70.64523	1.1
71.01384	39.1
72.99304	1.7
73.02947	10.3
75.00871	0.6
79.01895	0.7
82.31814	0.6
83.01388	5.0
84.86050	0.6
85.02957	16.6
87.00874	2.2
89.02448	15.2
95.01416	3.8
97.02965	1.0
99.00873	3.5
101.02449	23.1
107.01382	1.9
108.81638	0.5
111.00899	4.0
112.36051	0.5
113.02457	17.0
114.28386	0.6
119.03504	6.6
121.10218	2.8
123.00903	3.8
123.08145	0.6
124.01698	1.3
125.02455	14.0
127.11285	1.2
131.03462	1.1
132.73582	0.5
139.00381	1.7
140.01147	2.0
141.01837	0.8
143.03505	1.8
151.00366	2.1
154.99907	0.6
157.12398	0.7
159.03023	2.5
161.04593	6.0
165.01859	0.8
165.54291	0.6
167.03438	1.1
167.99472	0.5
168.00687	5.6
169.01440	20.1
170.01697	0.6
171.13985	1.6
179.05566	1.2
183.03072	0.9
183.13777	0.6
187.13319	0.9
201.14978	9.7
211.02484	25.5
212.02820	1.1
241.03529	0.9
271.04587	49.2
272.04987	2.4
319.17590	1.2
331.06726	5.6
341.26767	0.7
345.18881	0.5
359.28012	19.1
360.28461	1.5
363.20126	3.1
403.67856	0.6
491.32373	1.0
503.32217	0.9
521.20996	25.7
521.33276	100.0
522.21490	2.8
522.33649	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	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89097	0.3
53.44284	0.3
55.01644	0.4
55.01873	2.9
57.03444	3.7
58.00588	1.1
59.01379	19.9
60.01712	0.3
61.98828	11.9
67.41196	0.4
69.03459	0.7
69.81744	2.1
71.01380	23.0
72.01715	0.4
72.99290	1.5
73.02557	0.7
73.02945	10.0
75.00884	2.7
83.01384	5.2
84.02166	0.3
84.47475	0.3
85.02952	13.5
86.00088	0.6
87.00886	1.8
89.02443	3.9
95.01396	2.9
95.96266	0.4
97.02940	1.2
97.06574	0.6
99.00874	3.3
101.02444	19.6
102.02850	0.4
103.78577	0.3
107.01398	0.4
108.02164	2.8
109.02975	2.6
111.00873	3.9
111.08124	1.0
113.02444	8.5
119.03488	1.1
123.00881	1.0
123.08146	2.3
125.02478	3.0
127.11234	0.7
129.01926	1.2
131.03526	0.6
135.00836	0.5
137.09778	0.6
139.00407	0.5
139.11313	0.6
140.01137	0.5
141.01820	0.4
141.09219	1.3
141.12871	0.7
143.03510	0.6
143.56366	0.4
152.01163	3.6
153.01974	1.8
153.12814	0.5
154.88130	0.3
155.10788	1.5
157.12395	0.5
159.02982	2.0
161.04541	2.9
165.09244	0.6
167.10809	0.8
168.00595	1.1
169.01413	3.2
169.12332	1.0
171.13879	1.1
183.02992	1.1
187.13371	1.8
200.14204	0.9
201.14888	2.4
211.02510	2.9
230.15219	0.7
271.04620	4.9
293.22220	0.5
331.06436	0.5
341.26953	0.5
359.28015	20.2
360.28406	1.6
362.19568	1.7
461.23938	0.7
477.17358	0.9
519.31512	0.5
521.15210	2.4
521.20264	3.8
521.33276	100.0
522.33667	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	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.3
57.03456	4.0
58.00578	1.9
59.01381	41.1
60.01701	0.5
61.98830	3.4
66.85719	0.4
69.21135	4.1
71.01381	40.4
72.01748	0.7
72.99310	1.9
73.02950	7.8
75.00875	1.1
83.01391	4.5
85.02952	15.4
87.00875	1.9
87.04501	0.5
89.02446	22.1
90.02782	0.5
95.01392	4.5
97.02955	0.7
97.06564	0.5
98.19919	0.8
99.00877	2.9
101.02444	25.7
102.02770	0.6
107.01392	1.2
108.02174	0.7
111.00872	2.5
113.02453	16.2
119.03502	8.9
120.10101	0.5
123.00912	2.6
123.08159	1.2
125.02464	5.3
127.11288	0.6
131.03560	0.5
136.98825	0.5
137.02438	0.7
137.09741	0.7
139.00360	1.1
140.01082	0.8
141.09201	0.6
143.03493	1.7
149.04506	0.7
151.00363	2.0
153.12796	0.6
155.10764	2.0
159.02969	2.0
161.04570	6.3
165.09177	0.6
167.10812	2.3
167.72421	0.5
168.00624	1.5
169.01419	6.7
169.12328	0.7
171.13881	0.6
179.05611	2.0
183.03009	4.9
183.13957	0.5
187.13385	0.7
201.15018	3.3
211.02484	5.4
230.15247	1.1
271.04587	6.5
274.94391	0.5
300.99774	0.8
315.12579	0.6
323.18842	0.6
331.06543	1.1
333.19119	1.2
359.28009	26.6
360.28348	2.2
373.25830	2.4
374.26648	0.5
503.32278	0.9
521.21356	16.1
521.33295	100.0
522.21564	2.5
522.33618	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	521.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.0
57.03453	4.1
58.00589	2.4
59.01379	54.6
61.98829	7.3
67.01897	0.5
68.99828	0.6
69.03465	0.8
69.52644	2.8
71.01382	47.4
71.05025	0.7
72.01727	0.8
72.99309	3.2
73.02944	9.9
75.00900	1.7
79.01934	0.4
82.40766	0.4
83.01391	6.3
83.01801	0.5
85.02954	17.8
86.00133	0.9
86.01730	0.3
87.00879	2.9
89.02443	23.6
93.03467	0.6
95.01399	5.3
97.03002	0.9
97.06643	0.7
97.62160	0.4
99.00888	4.7
101.02441	29.3
107.01414	0.6
108.02218	0.7
109.03038	0.6
109.80479	0.4
111.00871	3.2
113.01727	0.6
113.02451	19.2
114.02853	0.6
119.03495	10.6
123.00876	2.5
123.08278	0.4
124.01796	0.6
125.02454	5.1
127.11369	0.9
129.01979	0.5
131.03624	1.0
137.02487	0.6
137.09857	1.4
139.00485	1.1
140.01241	0.7
141.02066	0.8
143.03534	2.3
149.04630	0.5
151.00540	1.5
152.01198	0.6
152.07294	0.9
153.02010	0.9
153.12926	0.5
155.10786	2.1
157.12482	1.0
159.02959	2.1
161.04553	6.9
167.10970	1.7
167.47035	0.4
168.00687	2.2
169.01425	5.7
171.13950	0.8
179.05859	1.8
183.02975	5.9
183.14085	0.8
187.13605	0.5
201.14984	3.7
203.33640	0.4
211.02495	5.1
227.13304	1.8
230.15643	1.4
271.05115	6.3
271.13992	0.5
281.09778	0.6
301.00504	1.1
315.13037	0.6
331.07382	0.6
333.19986	1.8
341.27573	0.9
359.12189	0.7
359.24030	2.3
359.28894	27.4
360.29251	1.9
373.26025	2.5
378.07254	0.4
503.33832	1.6
521.21820	16.0
521.26312	8.1
521.35004	100.0
522.21448	2.8
522.35327	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	521.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52422	1.9
55.50590	1.9
57.03449	2.1
59.01382	100.0
61.95515	1.9
61.98835	16.9
71.01387	46.4
72.99317	3.9
73.02953	7.2
83.01400	4.7
85.02962	13.4
87.00891	3.5
89.02451	53.9
89.66640	1.9
95.01437	2.9
99.00873	2.9
101.02448	34.5
102.65218	1.9
107.47594	1.9
108.02156	2.5
109.02964	5.6
113.02464	17.5
117.65668	1.8
119.03501	21.0
125.02452	4.4
130.08699	9.8
131.03516	44.1
131.09108	2.2
143.03479	4.0
145.05049	2.5
149.04556	18.7
149.76428	2.1
152.01193	1.9
153.01949	11.8
161.04596	7.4
167.10776	2.3
168.00494	2.0
169.01421	3.2
179.05627	16.1
191.05618	12.6
229.47511	2.1
251.07831	2.0
271.04669	4.7
322.20233	7.1
323.20633	6.9
329.19739	9.7
397.81519	2.0
461.24078	7.8
471.43381	1.7
521.20398	9.4
521.33466	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	521.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89097	0.3
53.44284	0.3
55.01644	0.4
55.01873	2.9
57.03444	3.7
58.00588	1.1
59.01379	19.9
60.01712	0.3
61.98828	11.9
67.41196	0.4
69.03459	0.7
69.81744	2.1
71.01380	23.0
72.01715	0.4
72.99290	1.5
73.02557	0.7
73.02945	10.0
75.00884	2.7
83.01384	5.2
84.02166	0.3
84.47475	0.3
85.02952	13.5
86.00088	0.6
87.00886	1.8
89.02443	3.9
95.01396	2.9
95.96266	0.4
97.02940	1.2
97.06574	0.6
99.00874	3.3
101.02444	19.6
102.02850	0.4
103.78577	0.3
107.01398	0.4
108.02164	2.8
109.02975	2.6
111.00873	3.9
111.08124	1.0
113.02444	8.5
119.03488	1.1
123.00881	1.0
123.08146	2.3
125.02478	3.0
127.11234	0.7
129.01926	1.2
131.03526	0.6
135.00836	0.5
137.09778	0.6
139.00407	0.5
139.11313	0.6
140.01137	0.5
141.01820	0.4
141.09219	1.3
141.12871	0.7
143.03510	0.6
143.56366	0.4
152.01163	3.6
153.01974	1.8
153.12814	0.5
154.88130	0.3
155.10788	1.5
157.12395	0.5
159.02982	2.0
161.04541	2.9
165.09244	0.6
167.10809	0.8
168.00595	1.1
169.01413	3.2
169.12332	1.0
171.13879	1.1
183.02992	1.1
187.13371	1.8
200.14204	0.9
201.14888	2.4
211.02510	2.9
230.15219	0.7
271.04620	4.9
293.22220	0.5
331.06436	0.5
341.26953	0.5
359.28015	20.2
360.28406	1.6
362.19568	1.7
461.23938	0.7
477.17358	0.9
519.31512	0.5
521.15210	2.4
521.20264	3.8
521.33276	100.0
522.33667	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	521.2541
Annotation	Cognatine
Peak:m/z	Relative Intensity
61.46235	0.5
71.50529	1.0
73.49471	0.5
78.95918	0.7
100.01434	0.4
115.62012	0.4
171.10291	2.0
186.03238	0.5
187.03990	0.6
189.13745	0.5
199.03984	0.9
201.05589	0.7
214.02774	0.7
215.03484	6.3
219.03056	1.1
229.04971	1.0
229.94833	0.6
242.02101	0.7
243.02979	11.4
244.03719	3.6
256.03873	2.8
256.98611	0.5
257.04611	2.8
270.05356	0.7
271.06369	0.7
273.03973	1.6
285.11487	0.8
293.21201	2.1
295.94928	0.5
298.08505	0.6
299.09369	0.6
301.03445	6.8
302.04327	7.3
313.14355	0.9
314.11526	0.7
315.05112	4.7
316.05676	0.6
327.12408	0.9
328.13333	0.8
329.06662	1.3
330.07422	0.6
344.08786	1.4
357.09833	1.0
358.10648	0.7
371.11478	1.0
372.12085	2.0
386.13544	1.1
395.18829	1.0
399.14365	0.9
400.15311	2.4
402.60223	0.6
407.18558	0.7
413.16141	0.6
433.19870	0.8
447.21750	1.0
452.18661	0.9
454.19949	1.7
461.23468	1.3
462.23962	3.6
466.20068	1.7
521.25476	100.0
522.25763	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	521.2545
Annotation	Cognatine
Peak:m/z	Relative Intensity
61.98824	0.3
67.53948	0.2
70.91908	0.3
70.92236	0.6
78.95904	0.6
92.87145	0.3
143.05032	0.3
147.88054	0.3
160.65738	0.3
171.04590	0.4
175.03981	0.6
186.03162	0.5
187.03963	0.8
196.89514	0.4
199.04070	0.4
203.03372	0.5
214.02702	0.4
215.03516	7.5
215.59944	0.3
216.03841	0.4
219.02917	0.8
227.03606	0.5
229.05006	0.6
240.04178	0.4
242.02077	0.9
243.02979	14.2
244.03716	4.0
245.04185	0.3
255.02921	0.6
256.03729	2.2
257.04544	4.1
258.04984	0.6
259.02426	0.3
261.04068	0.3
267.06558	0.4
269.04498	0.3
270.05301	0.6
271.02499	0.5
271.06146	1.0
271.09610	0.4
272.02765	0.3
273.03809	0.7
283.05978	0.5
285.04077	0.3
285.07770	0.3
285.11133	0.5
288.02686	0.9
298.08533	0.3
299.09122	0.8
300.10114	0.6
301.03531	4.6
302.04288	6.5
303.04468	0.4
308.06830	0.4
312.09973	0.4
313.10822	0.5
314.11563	0.8
315.05075	4.2
316.05753	1.0
327.12268	0.7
328.13022	0.8
329.06659	0.4
330.07352	0.9
341.13956	1.0
342.14728	1.0
344.08987	0.7
355.15372	0.5
356.16370	0.7
357.09760	0.8
358.10660	0.9
371.11505	0.7
372.12180	1.3
386.13788	1.5
395.18787	0.4
399.14642	0.5
400.15231	1.3
407.18539	1.1
421.20404	0.5
447.21878	1.7
453.19211	0.3
454.19934	0.5
461.23566	1.9
462.24094	5.5
463.24600	0.4
466.19821	2.6
493.25229	0.9
521.25446	100.0
522.25793	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	521.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.4
57.03431	0.2
58.00597	0.3
58.99775	0.2
59.01377	5.7
59.94438	0.2
61.98815	0.6
67.01885	0.6
69.03463	0.3
69.33317	1.0
69.33720	0.7
71.01379	4.2
72.99306	0.7
73.02940	0.7
75.95345	0.2
79.01876	0.6
81.03456	0.2
83.01377	0.8
85.02939	1.6
87.00893	0.4
88.98818	0.5
89.02441	1.7
93.03455	0.5
95.01396	1.6
97.02959	0.5
98.19930	0.4
101.02437	2.4
107.01382	3.9
108.02226	0.4
109.02962	0.6
110.00146	0.3
111.00874	2.4
113.02446	1.8
113.70480	0.2
119.03514	0.6
119.05042	0.3
122.40290	0.2
123.00886	5.9
123.04535	0.4
123.62581	0.3
124.01634	2.4
125.02442	23.9
126.02758	0.7
127.00340	0.9
132.13419	0.2
136.98805	1.6
137.02385	0.5
139.00371	3.6
139.03999	0.7
140.01147	3.8
141.01929	0.6
143.03525	0.3
144.03650	0.2
149.02426	0.4
151.00365	2.6
152.01164	0.3
153.01897	0.5
161.04529	0.8
163.04028	0.3
165.01939	0.7
166.99840	0.5
167.03433	1.3
168.00636	12.8
169.01413	33.9
170.01721	0.8
183.02974	3.2
211.02469	57.0
212.02826	2.0
241.03557	1.8
271.04568	100.0
272.04895	4.7
300.99780	0.4
315.67850	0.2
331.06671	11.8
332.06882	0.6
350.12439	0.2
359.27942	0.6
441.04694	0.3
477.18765	0.3
503.32623	0.3
507.90955	0.2
521.20331	32.8
521.32153	4.2
522.20715	3.8
522.33435	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78712	1.4
52.67035	1.3
55.01881	1.9
59.01382	21.7
69.29073	14.3
71.01380	20.0
73.02946	4.9
75.00843	1.8
80.06201	1.3
83.01386	4.2
83.44537	1.6
85.02952	7.9
87.00886	3.6
89.02446	6.5
95.01436	2.4
97.02956	1.7
99.00884	2.0
101.02435	12.1
109.02942	1.8
113.02466	5.4
119.03538	1.9
121.02943	4.1
125.02413	4.4
145.02914	2.0
153.01907	3.5
156.87056	1.5
159.04498	1.4
163.07672	7.3
166.90195	1.8
169.01392	5.9
180.73517	1.6
183.02924	2.4
207.06551	3.4
255.06705	1.9
265.08850	2.0
268.07382	1.7
268.70883	1.5
269.08096	3.6
281.08185	11.3
282.08890	5.1
283.09735	7.0
293.08298	4.1
295.09766	5.2
296.10385	2.5
297.11264	2.6
299.09250	3.5
309.11282	2.9
310.49948	1.5
311.09253	4.5
313.05750	2.3
314.08188	2.6
314.11569	6.5
315.12344	5.0
326.11557	15.1
327.12274	11.6
329.13867	10.0
334.85736	1.6
341.13977	14.4
343.11761	3.4
355.11755	6.0
461.14221	1.9
473.14529	5.0
476.16849	8.0
488.16800	9.8
491.19211	90.5
492.19577	9.5
495.74820	1.6
503.19208	100.0
504.19620	10.8
521.12811	5.9
521.20343	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	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74427	0.2
57.03456	0.3
59.01376	3.9
59.01654	0.4
61.98826	0.3
65.00314	0.4
67.01889	0.4
69.03460	0.4
69.22356	0.6
69.22755	2.0
71.01380	3.0
72.99295	0.7
73.02943	0.5
74.98316	0.3
76.97059	0.2
79.01921	0.4
83.01394	0.9
85.02959	1.3
87.00871	0.6
87.68587	0.2
89.02439	1.1
95.01392	1.0
97.02942	0.5
98.20737	0.3
99.00885	0.3
101.02449	1.8
107.00697	0.5
107.01395	3.5
111.00906	1.9
113.02459	1.1
114.02822	0.3
118.22145	0.3
119.03555	0.4
121.06596	0.4
123.00884	4.6
124.01617	2.7
124.02352	0.2
125.02444	22.3
126.02762	0.6
126.46275	0.3
127.00388	0.4
133.05043	0.5
136.98810	1.2
137.02440	0.8
137.09744	1.6
139.00371	2.6
139.03992	0.5
140.01161	3.0
141.01927	0.5
148.21857	0.3
149.02440	0.3
151.00371	2.8
155.68379	0.3
162.26599	0.3
165.01959	0.8
167.03499	1.2
168.00648	10.8
169.01419	33.7
170.01718	0.8
181.12404	0.5
183.02884	0.4
209.41656	0.3
211.02473	54.3
212.02740	2.0
225.11349	0.8
241.03535	1.9
271.04575	100.0
272.04944	5.0
313.05475	0.4
331.06689	16.6
332.06961	1.3
341.89066	0.3
483.19171	0.3
521.20300	16.7
521.33197	1.0
522.20593	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	521.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.3
61.98838	0.9
62.60950	0.5
63.49075	0.6
66.91078	0.6
67.01882	0.7
69.42075	1.4
69.42484	3.6
71.01387	13.6
72.99326	1.6
73.02944	4.2
78.20239	0.5
81.03476	1.5
83.01402	1.8
85.02956	6.3
87.00893	1.2
89.02448	6.3
93.03487	1.4
95.01389	3.0
97.02967	1.3
98.20676	1.2
99.00899	1.2
100.51056	0.6
101.02440	10.8
103.04029	1.5
107.01385	3.0
108.02180	69.7
109.02972	45.1
110.03294	0.9
111.00887	2.1
113.02481	3.7
119.03493	2.0
121.03014	1.4
123.00891	4.9
123.04519	6.6
124.01686	2.8
124.68423	0.5
125.02450	21.5
126.02760	0.6
127.00387	0.8
127.73342	0.7
128.50638	0.5
131.03531	2.2
133.03079	0.5
137.02509	0.7
139.00386	1.7
140.01195	2.9
143.03502	1.2
145.05060	0.7
149.04604	1.0
151.00397	1.5
151.04019	1.1
152.01160	65.6
153.01965	21.7
153.05574	8.6
154.02415	0.7
159.08176	1.5
161.04559	2.0
161.09727	3.5
163.04012	1.5
163.06099	6.5
165.01961	1.2
167.03474	0.9
167.10764	6.2
168.00639	9.1
169.01439	26.1
170.01788	1.1
179.05594	1.1
179.10838	1.8
191.05531	1.2
205.07152	2.1
211.02489	49.1
212.02899	1.1
241.03487	0.9
271.04599	100.0
272.04886	5.8
293.08865	1.5
315.07242	18.4
315.10687	0.9
316.07559	0.8
331.02698	1.0
331.06708	19.1
375.35413	0.7
376.61203	0.6
381.74557	0.6
443.86334	0.6
461.24023	4.1
477.17700	36.8
478.18085	4.6
490.48480	0.7
521.16571	61.1
522.16833	7.4
539.55682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2027
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
51.97557	0.8
54.84989	0.9
55.01885	2.2
57.03448	1.0
59.01379	34.5
69.60886	5.1
71.01012	1.3
71.01382	20.7
72.99303	1.6
73.02940	3.3
83.01362	3.1
85.02960	7.5
87.00863	2.1
89.01933	1.2
89.02446	13.7
95.01381	1.8
98.20584	1.6
99.00889	1.4
101.02441	13.6
108.02134	2.0
109.02949	7.2
113.02431	5.7
119.03491	5.5
123.04521	1.7
125.02459	1.0
126.02142	0.9
131.03508	1.2
143.34378	0.9
149.04512	1.1
156.05261	0.9
157.48198	1.0
159.04527	4.3
161.04588	1.0
169.01390	1.0
172.05295	1.7
173.06068	3.9
189.05571	2.7
191.07088	1.6
203.07220	1.1
241.05002	5.6
253.04997	1.6
255.06569	3.8
256.90778	0.9
279.06595	1.0
281.08051	1.9
283.09610	1.5
295.09677	2.2
296.10486	1.1
299.09207	2.9
311.09244	3.8
311.12589	1.0
313.10858	7.0
326.11536	2.1
327.12595	1.3
329.10388	2.2
341.13956	4.1
344.12640	21.8
345.13177	1.0
359.14966	58.2
360.15329	4.0
473.87833	0.9
520.26868	1.1
521.20245	100.0
522.20605	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	521.2029
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
55.01880	0.3
55.17274	0.3
59.01078	0.3
59.01374	6.4
61.87488	0.3
61.98822	1.4
65.00310	0.6
66.86655	0.3
67.01890	0.5
68.99822	0.4
71.01377	3.7
72.99307	0.4
73.02953	0.5
79.01896	0.7
83.01392	1.4
85.02950	1.2
87.00884	0.6
89.02433	1.6
95.01394	1.6
97.02962	0.5
101.02455	1.7
107.01390	5.0
109.02943	0.5
110.00125	0.5
110.92980	0.3
111.00897	2.2
113.02447	1.2
123.00887	7.6
124.01637	2.4
125.02448	27.6
126.02781	0.5
127.00369	1.0
136.98822	1.7
137.02483	0.6
139.00366	3.8
140.01161	4.0
141.01901	1.1
151.00365	3.5
153.01967	1.1
165.01886	1.0
167.03488	1.4
168.00632	11.5
169.01419	43.0
170.01756	0.9
183.02956	0.6
193.01370	0.4
211.02472	65.1
212.02783	2.3
241.03511	2.2
271.04575	100.0
272.04929	4.8
313.05652	0.4
331.06705	10.8
332.07034	0.5
359.28027	1.0
521.20264	52.0
521.32031	5.6
522.20587	6.1
522.33075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.03431	1.8
58.00581	0.5
59.01380	33.4
61.98830	20.7
65.00304	0.5
67.01879	0.9
68.99782	0.7
69.03436	0.9
69.11591	0.5
71.01380	20.8
71.04985	0.6
71.51624	0.6
72.99314	2.4
73.02948	4.9
75.00858	1.9
77.06194	0.5
79.01888	1.3
81.03416	0.6
83.01372	3.1
85.02953	8.2
87.00844	1.6
87.50000	0.5
89.02448	9.4
93.03423	0.5
95.01379	3.6
97.02930	1.3
99.00855	2.1
101.02441	12.5
107.01391	7.5
108.02077	0.5
109.02927	0.5
110.00033	0.6
111.00890	4.7
113.02444	8.3
119.03520	3.4
121.02934	0.6
123.00001	0.8
123.00880	14.5
123.04470	0.5
124.01655	2.4
125.02447	38.0
125.06057	0.5
126.02782	0.7
127.00362	1.4
129.01952	0.8
131.03458	0.7
136.98788	2.3
137.02481	1.1
139.00394	6.1
139.04015	0.9
140.01161	6.2
141.01917	1.0
143.03479	1.1
149.02484	0.5
149.04518	0.6
151.00378	6.9
152.00981	0.7
153.01872	0.9
155.10681	0.7
157.12347	0.9
159.02972	1.0
161.04562	3.2
163.07683	0.5
165.12764	0.6
166.99844	0.4
167.03529	2.9
167.10742	4.1
168.00627	14.1
169.01418	50.3
170.01724	1.1
171.13803	0.4
179.03391	0.6
179.05629	1.0
181.01480	0.9
183.03009	6.0
183.13896	2.9
193.01430	0.6
201.14975	0.9
211.02472	69.6
211.13361	0.8
212.02818	2.1
227.12891	4.0
229.01329	0.5
241.03549	2.3
271.04578	100.0
272.04947	4.3
300.99982	0.7
313.05710	0.9
315.12762	0.5
319.17520	1.3
323.18677	1.7
331.06702	10.1
332.07169	0.6
359.28055	10.1
373.22064	0.6
415.23483	0.7
441.04355	0.5
446.17270	0.7
503.32111	0.6
521.20398	98.3
521.32947	37.1
522.20557	12.1
522.33057	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	521.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00795	1.1
55.01842	1.0
59.01384	8.4
61.98829	5.5
69.98219	3.1
69.98585	1.7
71.01377	10.3
72.99308	0.8
73.02935	3.0
75.49905	0.8
81.03458	1.6
83.01378	1.5
85.02948	7.0
89.02460	4.5
93.03419	1.7
95.01369	3.5
98.19994	0.9
100.54493	0.8
101.02448	8.1
103.02689	0.9
108.02172	100.0
109.02960	65.2
109.03619	0.7
113.02439	4.8
119.03443	1.2
121.02927	1.5
123.00848	2.5
123.04504	6.2
125.02409	1.4
125.16911	0.9
131.03503	1.4
135.00861	1.3
135.04485	1.1
135.11818	1.3
145.51353	0.8
151.03992	2.1
152.01147	99.5
153.01942	35.7
153.05563	8.7
159.08104	2.0
161.04532	2.0
161.09689	3.8
163.03979	2.1
165.01933	1.6
167.10762	5.1
169.01419	1.3
171.06165	0.8
179.03574	1.0
179.10745	3.6
211.02464	1.3
271.04413	1.5
299.44669	0.9
315.03815	1.6
315.07193	19.1
359.27945	3.2
477.17630	56.1
478.17899	6.8
521.16571	81.2
521.33099	10.5
522.16821	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	521.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57984	0.8
53.22096	0.8
54.28828	0.8
59.01384	47.2
64.36029	0.9
70.95741	2.0
70.96059	1.0
71.01389	27.4
72.22250	1.0
73.02957	5.0
83.01416	1.2
85.02951	5.3
89.02450	40.8
95.01371	1.8
97.02950	1.7
99.00884	2.1
101.02447	15.0
107.01383	1.5
108.02180	24.7
109.02972	16.3
113.02447	6.3
119.03474	2.6
123.00816	1.3
123.04536	10.0
125.02460	19.3
129.01961	1.2
131.03511	18.1
140.01070	1.4
143.03477	1.6
149.04561	14.3
152.01164	27.2
153.01941	9.3
153.05592	12.9
161.09735	1.4
167.10785	100.0
168.00630	3.0
168.11111	5.1
169.01424	7.2
179.10829	1.2
191.05618	7.2
211.02495	15.5
233.06789	1.6
271.04617	31.7
272.04898	1.4
293.08786	12.7
315.07260	6.7
331.06662	5.9
355.02765	1.0
461.20291	3.0
477.17627	13.4
521.16583	26.5
521.24884	1.3
522.17102	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	521.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
57.98427	0.5
59.01381	7.2
61.98823	1.9
64.72659	0.6
66.29423	0.5
67.80760	0.6
69.36718	4.3
71.01382	11.5
72.99307	0.9
73.02937	2.9
77.45804	0.6
77.88483	0.6
79.01856	0.8
80.02684	0.6
81.03463	2.6
83.01392	1.9
85.02950	7.0
89.02445	3.4
93.03474	2.6
95.01380	3.9
99.00890	2.0
101.02452	6.5
107.01369	0.9
108.02172	100.0
109.02961	66.5
110.03326	1.2
113.02435	4.4
119.03501	1.1
121.02972	3.2
121.04203	0.6
123.00918	2.8
123.04530	22.4
125.02445	3.9
131.03503	1.1
133.10176	0.6
135.00858	2.8
135.04536	0.8
135.11777	1.2
137.02431	0.8
139.00423	0.8
149.04512	0.8
151.04004	2.7
152.01151	95.9
153.01949	32.0
153.04323	1.4
153.05569	28.4
159.08240	1.1
161.04521	1.7
161.09734	3.9
163.03976	1.9
165.01891	2.4
167.10838	2.8
168.00609	1.9
169.01436	5.5
179.10840	2.9
211.02464	5.6
271.04565	13.4
297.06213	0.8
310.69800	0.5
315.07245	28.3
315.10641	1.5
316.07632	1.4
331.06625	2.2
359.28058	3.5
413.74237	0.6
461.24609	0.8
477.17651	60.4
478.17822	7.0
503.15714	0.9
505.51938	0.6
513.97369	0.7
521.16559	74.7
521.25702	5.1
521.32019	7.4
522.16980	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	521.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
57.03445	0.9
59.01379	14.0
59.86215	0.8
61.98830	6.1
69.42041	1.4
69.42449	4.5
71.01385	16.6
73.02943	4.1
75.00837	2.8
79.97699	0.9
81.03452	1.3
83.01363	1.9
85.02946	9.1
87.00887	0.9
89.02444	4.8
95.01339	3.6
97.02915	1.1
98.20614	1.9
99.00883	1.7
101.02460	8.2
107.01379	4.0
108.02174	73.5
109.02959	49.2
109.04030	1.2
110.03261	1.8
111.00825	2.4
113.02451	4.8
119.03410	1.3
121.02948	1.4
123.00863	5.6
123.04467	1.7
124.01621	2.6
125.02454	22.7
136.98712	1.5
137.02359	1.0
139.00284	2.4
140.01093	1.8
141.01854	1.3
151.00311	1.5
151.03906	1.6
152.01160	74.0
153.01953	25.6
159.08173	0.9
161.04443	2.4
161.09602	2.8
163.03860	0.9
165.01805	2.6
167.03381	1.8
167.10751	2.1
167.99475	0.8
168.00616	9.1
169.01434	30.2
169.78123	0.8
177.04028	1.8
179.10640	3.1
201.14861	1.2
211.02483	48.5
212.02536	0.9
241.03215	1.4
271.04581	100.0
272.04880	3.9
286.22437	1.0
289.06201	1.0
315.07227	12.1
329.04755	1.2
331.06668	15.8
346.79160	0.9
359.27991	4.7
477.17630	40.4
478.18015	4.8
484.49915	1.0
513.19873	0.9
521.16199	63.3
521.33270	24.9
522.16687	8.8
522.33221	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	520.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	58.3
61.98829	100.0
66.27632	0.6
71.01383	5.7
73.02956	1.5
85.02960	2.5
89.02471	1.3
98.20781	1.4
101.02455	3.8
107.01355	0.7
113.02473	2.3
125.02449	2.9
127.00464	0.7
130.91583	0.6
160.11362	0.6
161.04626	1.2
166.88231	0.6
168.00674	1.5
169.01431	3.5
174.87859	0.7
183.02982	3.4
211.02425	5.5
232.91096	0.7
271.04568	9.9
300.99899	1.1
331.06656	1.8
353.19940	2.2
362.02441	0.6
371.20779	5.3
381.13040	0.6
413.21759	6.9
505.17300	0.7
507.45343	0.8
521.20667	0.9
521.33472	2.2
530.18585	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15702	0.3
54.27493	0.3
54.86325	0.3
59.01385	0.4
59.49715	0.3
66.05882	0.3
74.35354	0.3
74.82828	0.4
78.95907	44.0
86.58752	0.3
88.62859	0.3
93.09058	0.3
96.96007	0.4
96.96954	6.1
150.98047	1.7
152.99590	100.0
153.99942	1.0
170.93306	0.4
171.00618	4.3
216.88646	0.4
279.23322	1.2
289.18201	0.4
359.25906	0.8
384.35464	0.4
433.23611	20.7
434.23834	1.9
520.26678	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	520.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55025	0.4
53.39223	0.4
56.21256	0.4
60.51030	0.4
61.98830	100.0
69.18302	0.5
69.18635	4.1
80.78065	0.4
161.22122	0.5
185.55841	0.4
224.81676	0.4
345.27985	0.6
457.33527	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	520.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
59.01105	0.9
59.01380	10.6
60.14376	0.5
61.98827	1.5
69.32434	2.4
69.32858	2.4
71.01383	8.0
72.99294	0.6
73.02950	1.7
85.02940	2.7
88.56383	0.5
89.02450	6.7
97.02956	0.8
99.00879	1.5
101.02441	4.4
107.01407	1.3
113.02453	2.6
118.03013	0.9
119.03473	1.0
120.04561	2.6
123.00896	1.3
125.02435	8.4
131.03497	3.3
134.06134	7.2
143.03502	0.8
144.04512	3.4
147.03265	16.0
147.04451	0.9
149.04556	3.2
151.00331	0.9
152.92073	0.5
160.04039	11.9
161.04549	5.4
162.05603	100.0
163.05937	4.6
168.00677	0.7
169.01430	7.7
173.16071	0.6
188.03532	0.6
191.05594	2.2
204.06670	1.1
206.04575	76.0
207.04950	2.9
227.12787	0.8
252.50203	0.5
264.80469	0.6
281.09259	0.6
293.08765	1.3
311.10178	1.0
313.05701	2.1
329.16220	2.9
368.09845	73.3
369.10144	5.0
399.11533	0.6
431.14612	2.1
451.77274	0.6
461.20697	1.0
520.10889	45.7
521.11511	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	519.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76255	0.7
55.01868	2.8
57.03449	3.9
57.41856	0.7
57.63448	0.7
58.00583	2.0
59.01381	61.8
61.98816	2.4
69.03452	1.3
69.28803	6.4
71.01385	49.3
72.01719	0.8
72.99332	3.5
73.02947	9.8
81.03459	0.8
83.01395	6.8
85.02953	18.3
87.00866	3.4
88.62534	0.7
89.02448	31.1
95.01393	3.6
97.02945	2.0
97.06575	1.0
99.00887	4.6
101.02449	31.2
111.00848	3.0
113.02457	16.2
119.03500	9.0
121.10242	1.3
123.08134	1.0
125.02468	8.3
127.11295	0.8
131.03514	9.2
143.03441	1.9
148.73991	0.8
149.04562	5.1
149.09726	0.8
149.95888	0.6
151.11256	0.8
155.10744	0.9
159.02957	2.0
161.04562	5.5
163.06081	1.2
165.09207	64.2
166.09543	2.8
169.01376	2.0
171.13899	2.5
179.05629	1.2
187.13484	1.0
191.05656	2.3
199.13327	0.9
200.14194	1.9
201.14902	1.8
211.02449	2.1
227.16478	1.6
229.18007	2.2
271.04614	3.8
293.08768	5.4
312.01624	0.7
321.24268	1.5
325.24878	0.7
339.25290	1.3
357.26425	20.3
358.26801	1.8
362.19373	8.8
394.18420	2.6
459.18405	2.0
483.29587	1.8
489.30478	1.3
501.30606	2.4
519.31744	100.0
520.32117	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19405	1.0
54.94006	1.1
55.01861	3.5
57.03459	5.4
58.00581	3.1
58.23927	0.9
59.01380	90.9
61.98819	1.8
62.06488	1.2
64.60076	1.0
65.58224	1.0
69.48282	2.8
69.48692	5.8
71.01382	64.6
71.05009	1.9
72.01749	1.1
72.99307	3.3
73.02950	13.6
73.81102	1.0
74.22118	1.0
81.72083	1.1
83.01378	8.4
85.02948	21.7
87.00864	4.7
87.04476	1.3
89.02447	47.5
95.01387	6.1
97.02965	1.7
97.06557	2.4
99.00875	4.5
101.02447	47.5
103.04028	2.3
113.02451	23.4
113.09676	1.2
114.02705	1.3
119.03513	22.1
121.10228	1.6
125.02446	2.2
131.03490	4.7
137.06058	1.8
139.11310	1.8
143.03462	3.2
149.04478	1.3
151.11273	1.9
157.12320	3.7
159.02998	2.5
161.04543	8.8
163.06136	3.5
165.01889	2.5
165.09172	4.8
166.02263	2.1
169.01381	1.2
179.05603	5.1
181.05191	2.3
187.13373	1.4
201.14977	2.6
205.07239	2.5
234.43208	1.1
271.02328	2.0
272.02853	2.1
288.05798	1.1
300.02719	1.4
301.03162	1.5
315.05063	7.8
316.05365	6.9
321.24442	2.4
327.18051	1.6
339.25400	3.5
357.26468	37.5
358.26776	3.0
413.94559	1.2
437.66327	1.1
503.43576	1.3
519.31750	100.0
520.32098	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	519.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.9
57.03462	3.4
58.00587	2.1
59.01380	76.1
60.01704	0.8
61.98830	5.2
62.85318	0.7
69.03436	0.8
69.44705	4.5
71.01382	54.9
71.05019	0.9
72.99310	3.3
73.02947	10.3
83.01391	4.8
84.02145	0.8
85.02451	1.4
85.02945	16.0
86.46850	0.6
87.00875	2.1
87.04509	1.3
89.02442	40.0
95.01400	3.3
97.02949	1.8
97.06583	0.8
99.00885	3.7
101.02444	33.8
103.03996	1.3
108.02173	1.1
111.00852	2.1
112.90204	0.6
113.01716	1.4
113.02449	17.3
119.03509	11.6
121.10206	0.8
125.02446	9.2
131.03510	9.1
139.02847	0.6
143.03487	2.7
149.04550	9.0
157.12323	1.7
159.02934	1.8
161.04572	5.4
161.43137	0.8
163.06096	4.9
163.07484	1.2
165.09201	87.0
166.09540	4.1
169.01413	1.1
179.05566	2.9
191.05573	4.1
199.13255	1.7
201.14949	1.5
205.07243	1.6
207.10359	0.9
211.02467	1.4
233.60793	0.6
271.04584	1.5
271.15668	0.7
274.81775	0.8
293.08701	9.5
297.24332	0.8
309.24463	0.8
321.24420	1.2
327.41684	0.7
339.25510	1.9
357.26431	27.7
357.30878	1.5
358.26794	2.7
362.19418	2.8
394.18228	0.9
459.18292	3.5
483.29544	1.1
489.30856	1.0
501.30768	2.4
519.31726	100.0
520.32001	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	519.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.3
57.03436	2.2
58.00582	3.3
59.01378	100.0
59.85562	0.9
69.03423	1.2
69.28732	5.2
69.29163	2.9
71.01381	35.4
72.01749	1.1
72.02155	1.0
72.99312	1.9
73.02943	25.6
83.01385	2.8
85.02952	14.2
87.00858	7.3
87.04523	2.5
89.02441	30.8
95.01377	1.6
99.00858	1.7
100.36932	0.9
101.02441	48.2
103.04008	19.2
110.21941	0.8
113.02460	7.7
115.04008	6.1
119.03496	15.2
119.96043	0.8
125.02428	2.2
127.04032	1.2
131.03476	7.6
143.03506	8.0
145.05081	7.3
156.67339	0.8
161.04553	2.5
163.06117	44.2
165.09216	2.3
165.12889	1.1
177.97601	0.9
179.05545	1.2
193.37988	0.8
196.28600	0.8
205.07152	16.7
228.21043	0.9
250.32376	0.9
265.09323	2.0
314.34213	1.0
339.25296	1.5
357.26382	10.7
358.26456	1.0
519.31708	29.5
520.31927	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	519.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56633	1.2
52.67358	1.1
59.01383	45.4
61.98836	8.8
64.93739	1.1
69.03455	1.8
69.75301	6.8
71.01386	21.3
73.02948	5.2
81.03465	1.5
81.89385	1.2
83.01375	3.3
85.02959	7.5
87.00873	2.5
88.50676	1.3
89.02450	13.4
93.03429	1.4
95.01379	2.4
95.11015	1.3
98.19915	1.3
99.00908	2.2
101.02455	16.4
107.05033	2.9
113.02438	8.4
119.03528	8.6
123.00900	1.4
125.02454	3.9
139.00349	1.2
143.03488	2.3
145.02911	2.5
149.04483	1.3
151.03987	2.0
161.04536	3.6
167.10745	3.0
169.01385	4.1
179.05663	2.7
179.10762	2.3
179.14403	4.3
195.13933	9.6
196.14229	1.6
205.12364	8.5
223.13402	100.0
224.13722	5.1
253.09273	18.0
319.05054	1.4
357.13446	1.5
357.26474	8.0
459.22269	9.4
470.42828	1.3
519.19061	2.8
519.31897	33.4
520.32434	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	519.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
57.03444	2.4
59.01382	100.0
61.08272	1.1
61.98831	3.8
69.03434	2.4
69.19482	14.2
69.54211	1.5
71.01384	48.7
71.01778	2.7
72.99307	4.3
73.02951	19.7
83.01386	6.3
85.02946	15.4
87.00873	5.8
87.04531	2.1
89.02450	44.4
89.78254	1.5
95.01397	2.5
97.02945	1.5
98.19923	2.3
101.02445	44.5
103.04016	9.6
108.02193	1.5
113.02467	14.8
113.12380	1.4
115.04007	4.5
118.25092	1.2
119.03516	11.5
123.00835	1.4
125.02464	12.5
125.81007	1.1
131.03513	11.9
137.06122	1.4
142.07162	1.2
143.03496	9.3
145.05054	4.1
149.04543	5.5
152.01161	2.2
153.58640	1.2
161.02438	1.3
161.04562	4.0
163.06137	37.3
165.09201	69.7
166.09529	2.9
168.00667	2.0
169.01436	6.6
179.05612	4.3
181.04961	1.5
191.05571	3.8
200.20349	1.3
205.07162	14.7
211.02467	5.7
261.78598	1.3
265.09274	2.6
271.04590	11.3
293.08841	6.9
344.43008	1.3
345.68356	1.3
357.26462	9.4
459.22516	21.8
483.90536	1.6
519.14923	2.6
519.18573	2.2
519.31738	31.4
520.32703	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	519.2444
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01865	2.3
57.03437	4.3
58.00583	1.7
59.01378	38.4
61.98838	0.7
67.01907	0.7
69.03443	2.2
71.00076	1.2
71.01382	50.8
71.05021	2.0
72.99293	2.0
73.02552	1.0
73.02946	15.8
75.00855	1.4
78.21339	0.5
81.03453	2.1
83.01392	4.0
85.02950	12.7
87.00874	1.8
89.02444	44.5
91.13577	0.5
95.01395	2.2
95.05042	1.4
97.02950	5.9
99.00878	15.0
99.04535	1.0
101.02441	26.0
102.02736	0.6
104.42202	0.5
107.01358	0.7
108.83565	0.5
109.02953	0.7
109.06592	1.2
111.00890	0.9
111.04550	0.7
113.01718	0.9
113.02457	12.4
115.04008	3.0
119.03523	3.0
123.04533	0.6
123.08183	1.2
125.02441	13.4
126.02807	0.6
127.03970	0.6
131.03491	8.0
135.08189	0.9
137.09705	1.3
138.06865	14.3
143.03474	3.1
149.04552	10.4
153.09210	40.5
153.93198	0.5
154.09541	1.5
159.03015	0.9
161.04558	11.5
163.11261	0.7
165.12897	0.7
169.01414	1.9
175.06268	0.5
179.05585	0.9
191.05638	5.6
204.11421	0.5
207.13861	4.8
215.05511	0.5
225.14952	40.6
226.15311	1.6
233.04417	0.9
233.06653	12.5
234.06882	0.5
293.08768	11.0
294.09195	0.8
297.06030	0.8
339.12204	0.5
387.20224	14.1
388.20529	1.3
519.24457	100.0
520.24841	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	519.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.2
58.36718	1.1
59.01380	30.3
61.98820	3.2
70.80138	1.6
70.80441	1.6
71.01378	12.3
72.99306	1.4
73.02943	10.7
73.87605	1.0
82.80633	1.1
83.01402	2.1
85.02960	3.5
86.64024	1.0
89.02441	14.5
95.01391	1.3
99.00900	1.5
101.02469	8.8
106.66153	1.0
107.01405	3.2
111.00871	2.9
112.75447	1.0
113.02456	4.8
119.03478	3.7
119.04993	0.9
123.00896	4.0
123.04510	0.9
124.01637	1.4
125.02459	28.9
128.03493	1.4
131.03519	2.4
136.98790	2.5
139.00339	3.2
140.01154	4.8
149.04539	2.8
151.00365	1.4
155.10796	9.2
161.04526	1.8
163.11295	7.1
168.00658	13.4
169.01411	33.3
179.05606	1.8
181.12349	96.7
182.12654	4.7
191.05716	1.1
199.09766	3.8
211.02475	64.7
212.02803	2.4
223.09375	1.0
225.11330	68.5
226.11661	3.4
241.03448	1.8
267.12326	3.6
271.04590	100.0
272.04907	5.9
285.03857	1.4
326.65887	0.9
331.06720	14.9
339.14517	2.6
357.15521	1.8
387.01352	1.1
519.18481	29.5
519.31757	2.9
520.18756	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	519.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01072	0.8
59.01379	15.1
67.01916	0.7
68.41792	0.6
69.37167	4.6
71.01383	8.3
72.99323	1.2
73.02949	3.9
79.01920	0.8
83.01366	0.8
84.71559	0.6
85.02951	2.5
87.00878	0.8
89.02441	7.9
95.01411	1.2
95.05016	0.5
101.02454	4.7
107.01375	3.7
111.00880	1.5
113.02447	3.3
119.03483	2.6
123.00916	3.4
124.01698	2.4
125.02448	23.7
136.98840	0.7
137.02461	0.8
139.00369	2.4
139.04025	0.8
140.01144	3.4
143.03560	0.7
149.04578	1.1
151.00371	2.4
151.03947	0.7
155.10809	2.0
161.04491	0.8
163.11270	1.9
165.01895	1.2
167.03529	1.0
168.00652	13.8
169.01428	31.1
170.01773	0.8
179.05647	1.0
181.12346	31.7
182.12616	1.7
183.02979	1.5
183.87111	0.8
211.02478	55.1
212.02855	1.9
225.11307	19.7
241.03516	1.2
267.12399	1.9
271.04584	100.0
272.04852	4.5
284.03268	1.2
285.03967	0.6
313.05634	0.8
319.08859	0.7
331.06717	13.5
332.07141	1.3
339.14438	1.9
356.67020	0.6
357.15442	1.9
387.16684	1.0
496.00073	0.7
516.00647	0.6
519.18640	20.0
519.31604	2.5
520.19147	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	519.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00706	0.6
55.01859	1.4
59.01379	22.3
61.98826	1.9
65.26704	0.6
67.01887	1.1
67.66280	0.7
69.03466	0.9
69.39921	4.4
71.01380	15.3
72.99307	1.3
73.02947	4.6
79.01880	1.4
83.01382	2.9
83.05012	0.7
85.02953	7.6
87.00875	1.4
89.02441	6.3
95.01405	4.1
97.02910	1.6
99.00872	2.3
101.02441	16.2
107.01371	5.4
110.00095	0.6
111.00873	3.6
113.02451	7.9
119.03487	2.2
121.02955	32.9
122.03305	0.7
123.00883	20.5
124.01656	1.9
125.02446	22.9
126.02721	0.6
127.00391	1.2
131.03488	0.8
136.98784	1.6
137.02484	0.7
139.00368	6.6
140.01135	3.5
141.01889	1.4
141.83116	0.5
143.03439	0.7
147.49937	0.6
151.00371	9.1
151.03951	1.0
153.01949	0.5
159.02986	1.1
161.04556	4.1
163.04007	0.8
166.99840	2.7
168.00645	5.8
169.00002	1.2
169.01427	25.0
170.01767	0.6
173.06015	1.1
175.03978	1.0
177.04031	1.6
181.01419	1.0
181.05011	1.6
189.05533	0.9
191.07120	2.6
211.02458	2.4
217.05052	1.9
235.06151	3.3
271.04681	0.9
277.04593	0.8
277.07098	4.0
282.09186	0.6
313.05588	2.5
315.18115	3.1
337.09253	10.8
338.09537	0.8
357.19226	1.3
357.26550	1.2
397.11374	28.6
398.11655	2.7
459.22482	0.7
460.21460	0.6
477.23416	15.8
478.23587	0.9
519.15063	100.0
519.23334	3.3
519.30542	4.9
520.15289	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	518.312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
65.71909	0.3
69.40956	2.1
83.94126	0.4
109.13021	0.3
126.04182	0.3
289.98264	0.3
295.07312	0.3
301.10056	0.3
455.31799	1.3
519.34930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44133	1.3
61.98831	100.0
77.29089	1.3
92.07114	1.1
98.20663	4.2
109.49600	1.4
155.78444	1.1
229.17755	1.2
281.15701	1.3
455.31815	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	518.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74292	0.6
59.01381	22.3
61.98832	100.0
66.81777	0.5
69.53654	2.8
69.54073	1.1
71.01384	5.6
73.02940	4.8
74.68204	0.6
76.72005	0.5
83.01392	1.2
85.02971	0.7
89.02454	2.2
89.99928	0.6
94.03190	0.5
95.01398	0.7
98.20630	1.0
101.02444	5.2
113.02486	2.3
115.58331	0.6
125.02460	0.9
136.02092	0.6
149.04491	0.8
151.75627	0.5
161.04549	1.2
179.05675	0.6
210.66772	0.5
369.19519	0.7
411.20538	0.7
518.30786	1.4
519.31805	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	518.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01798	0.2
61.98828	0.5
62.96423	0.3
69.74136	0.2
78.95909	44.9
96.96970	5.9
98.20663	0.6
101.70718	0.3
133.81007	0.2
150.98041	2.0
152.99594	100.0
153.99930	0.9
171.00642	4.5
273.97217	0.3
277.21759	0.6
377.89789	0.3
431.22028	19.8
432.22574	1.6
518.25165	3.2
519.26312	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69574	0.3
59.01378	0.8
64.86845	0.3
71.01385	1.8
88.21095	0.4
95.01399	0.4
97.02937	0.5
98.19769	0.7
101.02420	0.4
107.01392	2.5
113.02443	0.9
116.05077	2.7
118.71564	0.3
119.05021	0.6
123.00893	1.5
125.02454	15.1
132.04529	0.4
134.03745	0.9
136.07022	0.3
139.00388	0.8
140.01181	0.7
143.27391	0.3
151.00369	2.4
159.03200	0.7
160.04050	100.0
161.04425	3.4
168.00594	0.8
169.01430	19.8
170.01657	0.5
170.54541	0.3
191.05638	0.4
204.02989	2.1
211.02496	0.4
223.02519	0.4
226.06447	0.6
229.87468	0.4
241.03473	0.6
241.08675	0.5
313.05646	17.7
314.05981	1.2
322.09286	1.6
366.08301	18.3
367.08554	1.2
474.10403	16.6
475.10709	1.4
518.09381	18.5
519.08685	1.7
519.16022	0.8
522.49243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76902	0.8
52.66496	0.8
53.38815	0.8
53.62757	0.8
55.01884	1.9
57.03452	1.7
57.41987	0.8
59.01379	59.4
61.12882	0.8
61.98831	13.3
64.53109	0.8
64.57426	0.8
69.97858	4.3
71.01379	20.8
72.99336	1.0
73.02944	9.4
75.00865	1.2
83.01388	3.7
85.02946	9.1
87.00892	2.1
89.02450	8.1
93.03460	50.1
94.03809	1.5
95.01403	2.0
97.02906	1.5
99.00912	2.1
101.02437	19.7
111.00897	1.2
113.02462	10.1
119.03533	4.3
123.00837	1.7
125.02425	5.6
131.03525	1.5
133.02882	1.0
133.33524	0.8
135.04562	1.4
137.02444	100.0
138.02792	3.5
139.00375	1.0
140.00986	0.9
143.03496	1.6
145.02919	0.9
149.04491	1.7
161.02464	2.2
161.04547	5.7
168.00694	1.9
169.01469	8.1
179.05537	1.3
209.15428	3.9
288.22076	1.0
351.26236	1.0
354.82706	1.1
355.21188	10.3
385.15051	2.5
392.96704	1.0
397.22369	2.4
415.22974	1.0
517.18201	5.5
517.26703	5.5
518.26550	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	517.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02659	0.9
50.36658	1.1
55.01850	1.1
57.03452	1.6
58.00593	2.6
59.01378	100.0
61.98817	4.6
65.36346	1.1
69.16296	2.7
69.16696	8.9
71.01379	31.2
72.99303	2.5
73.02953	11.0
76.70037	1.1
83.01398	4.1
85.02947	8.6
87.00867	5.1
87.04507	1.4
89.02446	34.9
93.11856	1.0
95.01387	3.8
99.00869	3.0
99.92605	1.8
101.02443	34.9
103.04014	8.2
108.02177	4.8
111.05564	1.1
113.02450	12.6
115.04011	3.2
115.92054	1.3
116.92856	9.2
117.03462	16.9
119.03503	12.6
119.04974	8.4
123.00873	1.7
123.08157	2.5
125.02442	9.7
126.39282	1.2
131.03490	6.5
135.04478	1.2
143.03508	6.5
145.02951	87.9
146.03278	3.5
147.08147	2.0
149.04517	4.2
151.04042	1.3
161.04549	3.9
163.04071	6.8
163.06133	26.4
163.07530	1.9
165.09192	15.0
168.00662	2.0
169.01436	10.9
179.05608	5.5
187.03883	1.2
191.05606	2.1
191.07120	8.9
205.05380	1.8
205.07120	9.3
209.08182	38.4
210.08528	3.0
221.08302	1.3
265.09277	2.1
293.86453	1.0
307.08344	12.6
311.14966	4.4
346.82599	1.4
358.84418	1.1
371.13431	21.0
372.13620	1.7
377.30862	1.2
457.20712	28.5
458.20978	2.5
474.71930	1.3
517.09845	2.0
517.16821	16.2
517.29816	2.4
518.17798	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	517.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09252	1.0
55.01860	1.2
57.03463	1.2
58.00590	2.1
59.01381	100.0
61.98833	46.4
69.03452	1.2
69.41044	8.9
69.46084	1.1
69.97046	1.1
71.01385	35.8
72.99308	4.2
73.02950	21.9
73.55305	1.0
81.03436	1.6
83.01375	3.7
85.02960	13.1
87.00882	7.0
87.04515	2.1
88.98808	1.7
89.02447	19.4
93.03454	3.0
95.01389	5.1
96.96011	1.8
99.00874	2.4
101.02444	33.4
103.04018	9.7
107.01361	3.1
107.04968	1.4
107.99722	1.2
111.00874	2.3
113.02438	9.5
115.04022	3.4
115.92111	1.2
116.92841	3.2
117.03473	9.1
119.03511	9.8
119.05019	9.3
121.02983	1.2
123.00891	7.7
123.04533	2.8
123.08149	3.9
123.17603	1.1
124.01699	2.2
125.02451	21.9
126.02774	1.7
128.03604	1.1
131.03499	6.5
135.04498	1.9
137.02435	4.4
137.09653	1.0
138.02771	2.0
139.00348	2.8
140.01175	1.7
141.03688	1.0
143.03522	9.3
145.02956	42.5
145.05067	1.7
146.03281	3.0
147.08174	3.5
149.09700	2.9
151.00459	1.1
151.04039	1.5
153.05562	5.2
154.13750	1.2
161.02414	4.6
161.04555	5.5
163.04051	7.0
163.06102	12.7
163.07472	1.7
164.01193	1.3
164.08368	1.3
165.09219	9.0
166.99844	2.6
168.00661	6.6
169.01424	32.7
170.01776	2.7
177.49982	1.2
179.03535	1.9
179.05542	1.9
191.07170	7.8
205.07155	11.2
209.08188	30.4
211.02467	1.2
221.08179	1.7
229.12544	1.3
265.07074	2.5
300.99911	1.1
307.08249	7.9
325.16406	2.1
347.28265	1.2
355.11740	1.5
355.21088	1.2
355.24841	2.2
371.13373	10.1
392.54269	2.0
397.22311	1.9
415.23361	2.7
427.45203	1.2
441.81522	1.1
457.24393	2.3
468.54999	6.5
469.05286	2.3
517.16943	18.0
517.29803	15.6
518.17236	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	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
57.03452	2.2
57.96768	1.5
58.00592	1.6
59.01381	71.0
62.95602	1.5
69.03453	4.6
69.54762	6.1
69.55190	5.3
71.01383	66.4
72.99313	2.4
73.02943	21.2
75.00906	1.5
81.03486	2.4
83.01380	3.5
85.02951	8.7
87.84343	1.4
89.02448	100.0
97.02937	7.5
99.00882	36.4
101.02456	33.1
113.02451	12.4
115.04015	4.4
119.03526	4.7
123.00865	1.7
125.02454	23.4
131.03508	17.8
134.03711	3.6
138.01950	2.0
138.06879	5.6
139.07698	1.6
141.19261	1.5
143.03491	3.8
146.07980	1.7
149.04556	40.9
151.07672	6.5
152.08437	23.6
153.09198	22.9
160.01653	2.8
161.04602	6.4
163.11328	4.8
169.01457	6.3
175.04031	5.5
190.09943	2.3
191.05637	18.6
193.05031	4.1
201.52365	1.6
205.12343	44.3
223.13481	3.6
233.06607	21.7
251.07831	2.1
293.08737	11.1
327.19324	2.0
362.10980	1.7
365.14859	2.4
385.18619	5.3
517.23035	66.5
518.23816	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	517.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.0
59.01377	66.9
61.98807	1.6
69.27474	14.7
71.01382	34.4
72.99310	2.4
73.02940	10.2
78.76874	1.7
83.01385	3.1
85.02937	8.7
85.41555	1.7
89.02442	38.2
98.19829	3.7
99.00867	3.9
101.02442	19.3
113.02444	12.6
114.22511	1.7
116.92844	2.7
119.03478	2.4
119.05006	3.1
120.10782	1.9
123.00889	3.9
123.08228	1.8
124.01643	3.3
125.02454	15.4
131.03497	27.8
133.10262	2.8
135.11789	14.8
148.67004	1.7
149.04556	14.6
151.00368	2.5
161.04517	3.4
161.09727	16.6
163.03938	4.0
167.89227	1.6
168.00652	8.7
169.01456	8.3
179.10767	100.0
180.11023	4.5
191.05630	12.5
203.10805	2.3
203.12860	1.8
213.05600	2.4
223.09744	87.8
224.10042	5.9
228.17030	2.0
241.04970	9.2
256.07333	6.8
271.09750	19.7
365.18045	2.0
413.21677	4.9
431.23016	2.5
436.12601	2.1
456.51801	1.9
517.18890	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	517.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	44.7
59.54601	1.5
61.36576	1.4
71.01380	25.1
71.52308	2.7
73.02946	5.5
85.02958	5.5
85.96851	1.6
87.00939	2.1
89.02439	25.8
89.58684	1.4
99.00878	4.1
99.04472	1.6
101.02435	16.8
111.04504	2.3
113.02467	7.8
115.76793	1.7
119.03467	3.0
119.04958	1.8
123.00908	1.7
125.02480	8.7
131.03494	19.7
133.10204	2.2
135.11783	13.6
137.02582	1.7
149.04523	12.3
155.10738	3.1
161.09727	9.7
162.10260	2.1
163.03928	1.7
168.00568	2.3
169.01366	5.3
173.04593	1.7
179.10771	100.0
180.11163	4.0
191.05643	11.6
199.09789	1.6
203.10704	2.5
223.09753	87.3
224.10115	4.0
241.05005	8.1
256.07343	5.2
265.10779	2.2
271.09818	11.9
365.18445	2.0
368.21777	1.6
490.10510	1.8
517.18665	15.0
518.19440	2.8
533.37775	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	517.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	27.4
61.98803	1.0
67.01889	1.5
69.03474	1.9
71.01389	18.4
71.51704	1.0
72.01839	1.0
72.99312	1.9
73.02950	3.9
78.24962	1.1
83.01368	2.2
85.02941	3.6
89.02448	16.9
95.01394	1.9
95.47533	0.9
97.02971	1.6
97.67709	1.2
99.00873	2.0
101.02438	11.0
107.01381	6.0
111.00868	4.3
111.04422	1.1
113.02440	4.4
116.92835	2.1
117.03428	1.9
119.03531	1.8
119.05020	3.4
123.00898	9.3
124.01658	2.8
125.01529	1.9
125.02454	39.0
126.02722	1.3
129.01994	1.1
129.03421	2.0
131.03493	10.9
133.10222	1.2
134.03712	2.6
135.04536	56.5
135.11815	6.4
136.04869	2.3
136.98811	2.8
137.02412	1.3
139.00360	5.7
140.01192	5.9
143.03517	0.9
145.02979	8.4
147.04526	3.4
149.04518	6.4
151.00365	7.1
153.02061	1.1
157.02924	3.0
158.03732	20.0
159.04520	12.8
159.08057	1.2
160.01620	1.4
161.09784	5.8
163.04041	1.3
163.07436	0.9
166.99765	1.3
168.00670	7.3
169.01433	64.8
170.01750	3.1
171.04482	1.9
173.02440	1.9
175.03981	3.5
179.03499	62.9
179.10777	40.9
180.03867	2.6
180.11098	2.4
181.01411	1.3
183.03012	10.5
185.02556	1.2
187.03851	1.2
191.05559	5.4
193.98587	9.5
194.05789	1.3
194.99303	4.4
201.05542	2.2
202.02725	39.9
203.03206	2.8
203.10762	2.1
209.08049	1.4
211.02400	6.7
213.05530	1.9
216.53557	1.0
223.09772	35.9
224.09990	1.5
241.03555	2.9
271.04611	3.3
285.94263	1.0
297.06192	3.7
300.99808	1.1
301.05652	1.5
307.08243	4.6
313.05618	13.3
335.04202	1.3
339.89459	1.0
361.18762	2.0
365.08679	2.1
412.89001	1.0
473.10867	100.0
474.11197	12.0
499.09244	1.3
517.09851	49.0
517.18237	5.1
517.30573	2.8
518.10370	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	517.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
58.00593	1.1
59.01378	39.8
69.03432	1.0
69.28336	9.2
71.01379	25.4
72.99306	1.1
73.02940	5.3
78.60664	0.8
83.01367	2.4
85.02950	5.7
89.02443	26.0
96.56305	1.1
98.20661	2.4
99.00880	2.9
101.02436	16.4
105.24999	0.9
113.02464	7.1
119.03484	2.6
120.05806	1.7
123.00832	1.1
125.02440	7.0
129.01920	2.1
131.03506	25.0
133.10226	2.7
135.11797	15.7
139.00356	1.1
146.07402	1.4
149.04561	17.4
159.08118	2.0
159.11784	1.3
161.04550	1.1
161.09726	15.7
162.95403	1.2
169.01439	5.2
179.10776	100.0
180.11107	3.6
183.02985	2.4
188.02713	1.3
191.05605	11.4
203.10768	2.4
209.56430	1.1
223.09750	73.3
224.10042	3.8
265.10855	2.2
311.09952	1.3
353.15863	1.0
355.13837	2.1
365.17999	1.8
517.18518	9.6
517.30035	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	516.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.40605	1.5
98.19928	0.5
115.79833	0.2
154.57318	0.2
187.59833	0.2
341.24988	0.7
360.17648	0.2
403.51602	0.2
453.30014	1.6
454.30518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50354	0.4
59.01381	0.7
59.16867	0.4
60.83631	0.4
61.98830	100.0
69.40559	2.6
70.16481	0.4
75.43597	0.4
81.92263	0.3
88.78894	0.4
141.34671	0.4
151.79070	0.4
151.80278	0.4
179.95572	0.4
214.30376	0.4
228.38940	0.5
329.23312	0.4
341.25034	0.8
341.42480	0.4
453.30273	1.3
516.38483	0.5
525.27728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34112	0.4
59.01378	65.1
60.01714	0.5
61.98837	1.6
69.64768	1.7
70.27124	0.4
73.58789	0.4
76.01199	0.4
78.98064	0.4
90.97145	1.5
103.50728	0.5
115.03999	0.5
121.69444	0.4
132.98172	1.7
156.37285	0.5
157.03525	1.0
174.99231	25.7
201.02524	9.4
202.02739	2.2
203.02252	0.6
216.43684	0.5
217.00285	100.0
218.00546	2.7
344.03787	0.8
355.97549	0.4
359.01462	11.5
360.01654	0.8
374.99210	52.4
375.99356	2.3
400.41043	0.5
492.15784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73008	1.1
59.01379	23.7
66.99496	1.2
67.01864	2.2
69.18276	4.5
69.18694	6.3
71.01385	15.2
72.99322	2.1
73.02937	4.5
83.01388	1.5
85.02953	3.5
89.02441	12.1
90.17455	1.1
95.01367	2.4
99.00828	1.3
101.02426	7.2
107.01391	6.4
107.05037	1.7
111.00880	4.3
113.02448	3.1
116.92839	2.9
117.03501	1.8
119.03461	1.5
119.04983	1.1
123.00891	7.9
123.30790	1.0
124.01699	2.1
125.02445	34.4
126.02748	1.5
127.00358	1.3
129.03465	1.8
131.03528	7.3
134.03716	3.1
135.04529	71.7
135.11781	5.2
136.04839	1.9
136.98810	2.5
139.00360	5.7
140.01149	4.6
141.01924	2.3
143.03535	1.2
145.02957	7.9
147.04526	2.9
149.04544	4.7
151.00351	6.2
157.02953	1.8
158.03728	19.1
159.04474	10.2
160.01636	2.1
161.02519	1.6
161.04549	1.5
161.09680	6.7
162.33511	1.2
168.00630	9.8
169.01427	59.3
170.01767	2.0
171.72177	1.2
173.02437	2.2
175.03931	1.5
176.50583	1.1
179.03496	75.7
179.10777	30.3
179.12399	1.2
180.03821	2.8
180.11171	1.4
183.02988	7.5
191.05629	4.2
193.98578	9.4
194.05731	1.2
194.99359	2.7
202.02719	31.8
203.03198	1.9
209.08188	1.4
211.02513	6.3
213.05554	2.7
223.09756	26.1
241.03491	2.5
271.04614	4.2
293.08676	1.2
297.06171	4.7
300.99985	1.2
307.08252	3.8
313.05643	14.5
401.10574	1.4
473.10886	100.0
474.11139	11.3
499.09000	2.3
517.09900	48.9
517.18170	4.3
518.10132	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	516.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.15180	0.9
93.62334	0.9
105.06170	0.9
120.80799	0.8
143.79900	0.8
229.32721	0.9
355.26434	2.8
371.25629	1.4
399.25278	3.0
453.30023	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	516.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99434	0.4
59.01386	1.6
61.98831	100.0
69.18757	2.2
69.19171	1.1
77.28054	0.3
78.95937	0.4
98.19807	0.6
102.75961	0.3
117.78559	0.4
122.21556	0.3
125.02441	0.4
163.75795	0.4
169.01468	0.4
205.05780	0.4
260.33450	0.3
291.19815	0.6
307.84955	0.4
376.04437	0.4
420.65109	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08945	0.6
61.98832	100.0
70.60752	0.7
71.49915	0.9
71.50269	0.8
72.02977	0.6
81.19118	0.7
95.24706	0.8
118.57206	0.8
119.21033	0.8
121.25562	0.7
137.51512	0.9
189.70921	0.7
193.37665	0.8
220.59631	0.9
281.24979	2.8
286.20877	0.8
334.91003	0.8
342.25281	1.0
348.23672	0.8
354.25327	3.2
368.97589	0.7
370.24750	1.4
393.08832	0.9
398.24121	2.8
436.42047	0.9
453.30505	1.4
522.69824	0.9
541.21637	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.9
61.77470	1.1
61.98829	11.3
67.01889	1.8
67.24727	1.0
69.03426	1.5
71.01374	4.3
71.51517	2.4
72.99312	1.6
73.02953	1.6
73.52518	1.3
79.01871	1.4
83.01340	1.2
85.02951	3.7
87.00881	1.3
87.61993	1.2
89.02437	1.4
93.03448	1.4
95.01355	2.1
96.96011	1.3
101.02420	3.1
107.01377	4.6
108.02184	6.4
109.02946	3.1
111.00787	1.5
113.02466	1.9
116.92833	1.8
117.09032	1.3
119.05056	2.4
123.00888	13.8
124.01688	14.3
125.02451	28.3
135.04504	1.7
139.00333	4.3
139.04012	6.4
140.01131	4.2
141.01971	1.8
146.08202	1.3
151.00386	6.2
152.01135	5.1
153.01964	3.2
161.02321	1.3
163.03999	2.5
166.99823	1.7
167.03473	1.4
168.00662	8.2
169.01447	30.7
170.01736	1.8
182.26656	1.1
183.03004	3.7
191.05598	14.6
193.05019	1.6
211.02301	2.1
234.51454	1.1
255.10245	3.3
271.04468	1.5
297.06277	2.3
299.75195	1.2
313.05603	8.0
427.08841	1.6
453.10342	100.0
454.10690	8.9
481.06476	3.3
516.17572	16.5
517.19293	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2134
Annotation	hesperadin
Peak:m/z	Relative Intensity
58.90636	1.0
59.01377	28.8
60.31890	1.1
61.98839	2.4
71.01387	10.5
71.52161	2.2
73.02947	2.9
81.03476	1.8
83.01412	2.1
85.02935	8.5
89.02443	6.2
93.03503	3.5
94.12006	1.1
95.01418	3.0
101.02467	3.7
107.01422	2.1
108.02173	67.4
109.02959	44.5
109.03688	1.4
110.03337	1.3
111.00951	1.1
113.02504	3.7
115.29315	1.0
118.33477	1.0
121.02953	1.7
123.00880	5.4
123.04535	4.8
125.02439	15.9
125.03191	1.2
126.02818	2.0
128.03601	1.4
135.04498	1.8
139.00409	2.2
145.03029	1.1
151.00439	1.8
151.04047	1.9
152.01144	68.6
153.01938	24.3
153.05544	6.8
154.02280	1.5
161.04521	1.7
163.04015	1.3
168.00658	1.4
169.01419	14.7
170.01816	2.4
171.02014	1.2
173.04695	1.7
177.02023	1.6
178.05037	1.1
183.10245	2.1
191.05739	1.6
197.40472	1.0
201.11423	2.6
211.02502	1.9
214.49324	1.0
218.05263	0.9
242.90642	1.1
244.87218	1.1
258.38644	1.1
271.04602	2.2
276.44562	1.2
284.34393	1.1
291.12488	1.6
301.00040	2.9
314.06094	1.4
315.07205	6.9
357.08197	14.3
363.03671	2.9
363.16702	3.2
363.37009	2.1
384.04004	1.7
452.09229	1.2
497.20258	5.6
515.21594	100.0
516.21741	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	515.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98224	0.4
57.30535	0.4
59.73617	0.4
61.98824	1.1
69.30833	1.2
69.31254	1.8
89.28131	0.4
98.20667	0.8
106.04239	0.7
108.02179	0.4
111.96527	0.4
117.42693	0.4
119.05015	0.6
131.34613	0.4
142.89107	0.4
152.52626	0.4
163.11285	34.0
164.11603	1.5
175.11278	1.3
176.12061	1.3
177.12837	3.9
190.10043	1.2
201.12863	0.5
207.10150	0.5
208.11055	4.0
226.86739	0.4
231.38138	0.4
253.04361	0.4
261.35303	0.4
267.13849	0.5
281.15442	1.4
282.16309	4.2
283.17038	6.2
284.17645	0.6
293.15491	1.7
295.17108	0.6
339.23257	100.0
340.23615	9.7
347.83780	0.4
350.82053	0.4
351.23279	7.3
352.23621	0.7
399.73294	0.5
489.83813	0.4
515.35284	74.8
516.35620	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	515.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
65.03970	0.5
71.01382	1.5
73.07156	0.4
85.02951	0.4
89.02438	1.1
93.03460	54.4
94.03797	1.2
101.02443	0.7
109.06425	0.3
121.02881	0.4
123.00929	0.7
125.02425	1.6
131.03510	1.2
137.02448	100.0
138.02782	3.0
169.01450	2.1
191.05649	0.7
250.11409	0.3
309.11862	0.6
384.04022	0.6
471.22855	0.4
515.18939	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56775	0.3
59.01375	1.3
61.98831	100.0
62.98538	0.3
71.01392	0.9
71.50875	0.2
73.90738	0.2
89.02452	0.5
101.02431	0.7
113.05024	0.3
122.21979	0.2
158.68256	0.2
169.01462	0.4
169.12398	0.3
179.70653	0.2
190.90222	0.2
321.21805	0.4
342.31335	0.3
512.01685	0.2
514.27277	0.3
515.28699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60817	0.2
59.01368	0.3
61.98830	100.0
62.98532	0.2
69.43105	1.4
71.01401	0.2
90.72424	0.2
102.83580	0.2
125.02455	0.3
169.01436	0.5
271.04559	0.2
363.16833	0.5
431.38852	0.2
514.32916	0.4
515.17621	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	61.4
65.51490	3.5
67.01861	3.5
71.01379	49.3
71.50437	4.7
72.99315	6.1
73.02948	14.8
74.62850	3.5
83.05034	7.5
85.02951	16.8
87.00850	5.1
89.02447	54.8
93.03447	52.8
95.01390	4.3
99.00866	8.3
99.04482	5.3
101.02455	20.2
111.00903	10.0
111.04539	18.9
113.02461	20.6
113.97248	4.0
119.03497	15.0
123.07310	3.7
129.01958	5.7
130.05081	4.3
131.03525	4.3
137.02435	20.1
142.99857	11.9
143.03545	8.3
151.06105	5.1
154.94006	3.4
155.03494	10.2
161.04601	7.1
173.00923	4.2
173.04546	82.7
179.05617	25.7
191.03598	5.7
191.05513	4.8
203.03526	5.8
219.03036	4.7
221.04492	4.6
229.01453	5.5
231.01819	3.6
247.02484	20.0
265.03406	4.0
273.00290	8.4
287.84186	4.3
300.99918	48.4
302.00180	34.6
303.00430	59.6
341.10876	100.0
342.11102	5.8
418.73816	3.9
437.98276	5.0
445.19629	3.7
515.15961	15.4
534.77924	3.9
538.44135	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59928	0.3
59.01382	0.5
61.98830	100.0
71.01392	0.5
71.51015	0.3
85.02950	0.5
96.96007	1.0
101.02490	0.4
120.23989	0.3
123.04527	1.0
135.00876	0.4
137.02441	15.8
138.02792	0.6
138.05626	0.6
149.02631	0.3
151.04027	6.7
169.01410	0.5
179.03455	0.5
191.05696	0.4
245.00900	0.3
298.98419	0.4
299.07712	2.3
300.99994	0.7
302.00311	1.1
335.13599	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
56.64182	0.1
58.00595	0.3
59.01377	6.1
61.28423	0.1
71.01380	4.5
72.99313	0.3
73.02943	1.0
83.01366	0.4
83.05032	0.2
85.02945	1.1
87.00874	0.7
89.02440	3.6
91.04005	0.2
95.01373	0.4
97.02911	0.3
98.19882	0.5
99.00897	0.1
101.02441	4.4
113.02451	2.1
119.03483	1.1
124.24694	0.1
125.02455	0.4
127.07674	0.2
133.05081	0.3
140.96123	0.2
143.03493	0.3
152.99568	0.2
161.04555	1.4
179.05637	0.3
233.22763	0.3
235.08107	0.9
250.93449	0.2
253.09277	15.1
254.09621	0.6
259.20593	0.3
275.19867	0.4
277.21704	100.0
278.22058	7.2
513.57220	0.2
524.64832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
57.03457	1.1
58.08288	0.8
58.40696	0.9
59.01382	73.1
61.98830	3.0
70.88692	2.1
71.01385	33.0
72.17799	0.9
72.99301	2.9
73.02952	8.0
83.01374	2.6
85.02950	12.4
89.02454	14.8
95.01396	4.5
99.00883	3.3
99.95468	0.9
101.02448	25.8
112.04590	0.8
113.02451	15.9
119.03510	7.1
124.85665	1.0
125.02495	1.3
131.03511	13.6
143.03508	2.1
149.04579	2.5
151.11279	1.4
159.03003	2.4
161.04550	15.6
163.11333	1.0
165.12840	14.3
169.12279	1.0
179.05544	1.3
185.11819	1.1
191.05652	2.7
209.11823	2.8
210.12131	1.7
247.20703	7.1
273.18555	3.6
286.40002	1.1
291.19659	100.0
292.20068	7.0
305.21234	1.9
315.19861	1.9
333.20828	5.1
333.24185	0.9
381.22797	16.2
509.49313	1.0
513.26941	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	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53595	0.1
55.01888	0.4
57.03460	0.2
58.00603	0.2
59.01378	6.2
64.80946	0.1
69.03494	0.1
70.08772	0.4
71.01379	4.6
72.99300	0.2
73.02940	1.1
83.01379	0.6
83.05062	0.2
85.02950	1.1
86.00118	0.1
87.00861	0.5
87.40923	0.1
89.02445	3.4
91.04031	0.2
95.01407	0.4
97.02961	0.2
99.00889	0.2
101.02441	4.4
103.04036	0.2
113.02448	2.2
113.06140	0.1
119.03488	1.1
125.02470	0.2
127.07668	0.2
129.01921	0.2
131.03496	0.2
133.05078	0.3
143.03499	0.2
157.05063	0.3
161.04546	1.6
169.94585	0.1
179.05597	0.6
183.76355	0.1
223.70674	0.1
233.22801	0.3
235.06329	0.1
235.08289	1.1
253.09285	15.0
254.09679	0.6
259.20645	0.4
259.77887	0.1
275.20166	0.2
277.21710	100.0
278.22061	7.3
430.20264	0.1
450.75275	0.1
518.58264	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	513.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	1.0
59.01381	16.8
61.98830	4.1
67.01913	1.4
69.31336	1.9
69.31750	5.6
71.01380	6.0
73.02936	1.8
78.90311	0.9
79.01931	0.8
83.01380	1.1
85.02949	1.3
88.14628	0.9
89.02438	3.7
95.01390	2.1
99.00887	1.1
101.02476	4.0
107.01383	3.6
108.02179	7.9
111.00951	1.1
113.02447	2.4
121.02159	1.3
121.02966	14.2
122.03745	2.8
123.00889	10.0
123.04501	1.2
125.02457	17.2
134.03783	1.0
139.00392	3.5
140.01215	1.1
141.01947	1.8
151.00352	11.5
161.04533	1.2
168.00606	1.4
169.01440	24.8
170.01741	1.1
185.15388	0.9
199.13416	2.3
211.02515	5.4
213.14932	3.2
219.90616	0.8
241.14404	1.1
245.15395	1.3
246.16228	4.3
247.17029	26.5
248.17487	1.0
252.35966	1.1
273.14996	5.9
290.15256	21.2
291.16019	100.0
292.16342	7.3
313.05673	1.5
361.18677	2.9
453.25842	1.1
513.19733	55.4
514.20258	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.8
59.01379	28.3
60.86111	0.6
61.98832	8.3
63.99248	0.7
69.03424	1.5
71.01378	14.1
71.51859	0.7
72.99308	1.8
73.02937	1.6
75.00892	1.6
79.01897	0.8
83.01394	1.6
83.05020	1.3
85.02951	4.2
87.00819	0.8
88.44298	0.6
89.02444	12.2
91.45237	0.6
95.01395	2.9
97.02935	1.4
99.00896	1.0
99.08154	1.9
101.02438	10.3
107.01395	4.9
111.00883	1.1
113.02453	4.7
119.03470	4.4
123.00884	9.0
123.04528	0.7
124.01699	4.8
125.01525	1.6
125.02448	31.6
126.02767	1.1
131.03494	0.8
135.04507	1.0
136.98785	1.2
137.02368	1.3
139.00357	3.5
140.01132	1.8
141.01971	0.9
149.99580	4.3
151.00386	4.1
161.04579	1.5
166.99901	0.7
167.03476	1.5
168.00655	14.5
169.01419	34.2
170.01746	0.9
172.41957	0.6
177.04018	2.4
179.05579	1.2
181.12469	0.7
183.02946	1.8
211.02464	17.8
212.02829	0.9
266.03842	0.7
271.04593	12.5
301.00095	0.7
329.05750	0.8
340.98935	1.0
351.21835	1.2
361.18665	15.6
411.12982	0.7
495.18881	1.8
513.19702	100.0
514.20013	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	513.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19140	0.7
58.00574	1.1
59.01385	23.3
61.98830	3.6
67.01893	1.6
69.03453	1.3
69.29146	2.0
69.29568	4.9
71.01390	10.5
71.05015	0.8
73.02949	1.7
79.01894	1.4
81.21431	0.7
83.01404	1.8
85.02937	2.6
87.00867	0.8
89.02464	7.2
93.03503	0.9
94.41039	0.7
95.01379	3.7
96.96000	0.8
97.02950	0.9
101.02454	5.6
107.01421	6.2
108.02180	3.1
111.00878	1.4
113.02456	5.1
119.03529	3.4
121.02976	8.6
122.03761	1.2
123.00903	18.3
125.02454	24.6
126.96780	0.7
129.43159	0.8
137.02475	1.6
137.09726	1.2
138.98497	0.8
139.00383	4.9
140.01151	1.0
141.01945	2.5
151.00378	15.0
152.00710	0.9
152.08415	1.4
153.01913	1.4
155.14438	0.9
161.04521	1.2
165.01904	0.7
168.00652	2.1
169.01439	39.7
170.01817	1.1
179.05614	1.6
181.12450	0.8
183.03088	1.1
199.13409	2.9
211.02473	5.8
213.14972	6.7
241.14429	2.3
245.15547	1.2
246.16277	1.8
247.17015	8.2
248.17184	0.7
253.03477	1.4
253.14417	0.9
273.14920	2.9
290.15253	8.5
291.16040	41.5
292.16382	3.0
313.05664	2.8
361.18738	6.9
362.19116	0.9
453.18417	1.0
453.24783	2.4
513.19763	100.0
514.19885	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	513.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45885	0.5
55.01862	0.7
55.20504	0.5
59.01110	0.8
59.01381	10.0
61.98837	1.0
67.01885	0.8
69.21413	5.2
71.01006	0.8
71.01382	8.9
73.02950	2.1
78.98595	1.1
79.01885	0.8
79.95741	2.1
80.96517	17.4
81.03477	0.6
83.01394	1.8
85.02949	3.6
87.00890	1.2
89.02438	3.2
94.98094	4.2
95.01388	2.1
97.02962	1.0
99.00825	0.6
101.02451	5.5
107.01376	2.1
111.00891	1.6
113.02444	3.5
119.03468	1.2
122.97548	0.8
123.00901	10.2
124.01720	0.9
125.02454	10.2
134.97565	1.4
136.98877	0.6
137.02397	0.5
139.00369	3.9
140.01154	1.8
141.01889	0.7
148.99124	1.5
151.00362	5.4
152.98651	2.1
153.01932	0.7
158.98836	0.5
164.98615	3.3
168.00641	2.3
169.01419	10.6
181.12289	3.0
187.79846	0.5
187.88664	0.5
194.01328	0.5
199.13370	4.8
200.35889	0.4
206.99678	0.9
209.91583	0.5
213.14969	0.7
216.72673	0.6
225.00757	4.8
284.24310	0.5
299.04459	0.7
314.84235	0.5
357.92172	0.7
361.18674	32.6
362.19052	2.3
495.18887	2.7
506.52655	0.6
513.19879	100.0
514.20282	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	513.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
59.01381	14.8
61.98825	11.7
63.99251	1.4
69.03438	1.5
69.14980	9.3
71.01382	11.2
72.99281	1.4
73.02946	2.8
79.01905	1.2
80.96510	1.9
82.96107	1.3
83.01379	2.0
85.02956	4.9
85.35470	0.9
87.00898	1.0
89.02460	4.9
95.01389	2.4
97.02959	1.5
99.00860	1.4
101.02435	8.2
107.01382	5.2
111.00853	2.0
113.02472	4.0
117.13514	0.9
119.03493	2.8
119.05022	3.7
120.05335	1.5
123.00884	12.0
125.02449	16.1
139.00395	4.7
139.07614	4.2
140.01134	2.7
141.01939	1.9
151.00368	6.1
163.04013	4.9
164.04338	2.5
168.00642	2.5
169.01418	25.6
179.05666	0.9
181.12277	2.3
188.57898	0.8
199.13422	3.5
211.02551	4.4
213.15050	1.6
268.35977	0.9
271.04550	3.8
313.05655	2.7
361.18668	33.5
362.18967	2.0
469.20602	1.7
495.18881	2.9
513.19708	100.0
514.20123	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	513.172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	45.0
60.86581	1.4
61.98825	13.7
70.79588	3.8
71.01379	28.6
72.99305	4.0
73.02930	2.3
80.05051	2.0
83.01381	2.5
85.02961	8.4
87.00883	7.3
88.98898	1.3
89.02451	25.2
94.06606	1.8
94.77042	1.2
95.01369	3.0
96.96016	4.0
99.00882	2.2
101.02444	19.9
107.01339	1.8
108.04514	3.7
113.02459	10.5
113.14179	1.4
118.13415	1.3
119.03498	12.9
121.05318	6.5
122.06137	15.2
123.00915	1.8
125.02436	4.9
136.07663	2.5
136.56625	1.3
138.05582	5.5
148.04037	3.2
149.04782	3.2
150.05618	5.2
153.01891	1.6
158.06128	1.7
159.06863	2.2
161.04541	2.0
162.05573	1.7
165.04294	5.9
166.05072	7.4
169.01402	6.0
173.08424	4.2
174.12952	2.4
184.11284	4.0
188.07150	3.9
189.07887	2.8
198.84009	1.3
202.12384	11.6
204.06660	8.4
204.10156	2.3
211.02397	2.1
212.05951	1.4
213.06657	2.8
216.06656	6.4
216.08855	2.2
217.07402	7.7
218.99054	1.4
227.08261	2.5
228.10287	5.1
229.09764	10.1
231.09247	1.7
231.11375	32.0
232.11685	1.8
238.07486	2.0
243.11328	3.5
246.11348	12.9
253.09761	4.0
270.10156	3.3
271.10870	41.2
272.08881	2.0
302.95163	1.4
312.10828	2.3
328.10760	1.6
346.11362	4.9
390.10294	1.9
397.13742	8.3
408.16748	2.5
426.17673	2.7
433.16199	3.0
451.11340	2.5
451.17200	34.8
452.17065	5.0
469.18137	6.4
470.16602	2.6
495.16129	10.9
513.17200	100.0
514.17407	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	513.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24112	2.6
59.01110	3.4
59.01383	47.3
61.98838	14.6
68.41368	2.1
68.72384	2.2
69.85646	11.8
71.01389	33.2
72.99307	2.6
80.05048	3.0
85.02943	9.2
87.00856	7.9
89.02438	24.9
95.01388	4.6
96.96003	20.0
101.02437	20.2
102.26227	2.3
108.04490	2.6
113.02447	14.9
119.03511	13.3
121.05337	7.1
122.06141	20.3
123.00906	3.0
125.02470	4.4
136.04088	2.7
136.07678	2.8
138.05580	9.1
144.08211	2.4
148.04065	4.7
149.04729	3.8
150.05589	6.7
159.06877	3.4
165.04286	4.9
166.05104	6.4
169.01305	2.9
173.08449	2.3
174.12967	2.5
184.11293	6.1
188.07138	3.3
189.07928	2.8
202.12344	8.3
204.06624	7.0
216.06735	11.7
216.08528	2.2
217.07361	6.7
218.08078	3.4
227.08255	2.9
228.10262	6.9
229.09723	9.7
231.09161	3.9
231.11316	28.8
246.11298	21.1
253.09935	3.8
255.11488	3.2
270.10144	4.2
271.10822	40.4
291.10098	2.5
328.10291	4.9
330.11307	2.3
343.38327	2.5
344.48444	2.3
346.11337	6.4
397.13715	6.6
426.17804	3.3
433.16153	5.1
451.17255	39.6
452.17270	4.5
469.18201	9.1
495.16104	8.2
513.17200	100.0
514.17822	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	513.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55866	0.3
59.01381	12.1
61.98830	4.1
65.98106	0.3
69.03445	2.0
71.01380	4.0
71.52456	0.7
72.99297	0.6
73.02946	1.3
74.30791	0.3
78.91884	0.4
78.95924	0.4
81.03416	0.8
83.01385	0.7
85.02954	1.9
86.16747	0.3
88.59628	0.3
89.02447	2.6
93.03493	0.5
95.01385	0.8
96.96929	0.4
97.02933	2.0
101.02441	3.0
107.01357	0.8
108.02175	0.4
113.02435	2.3
117.28316	0.4
119.03543	0.9
121.02956	20.0
121.05635	0.4
122.03308	0.8
123.00896	2.3
123.04518	0.4
124.01641	1.3
125.02448	59.4
126.02748	1.7
131.03499	0.4
139.00378	1.0
144.57118	0.4
150.06851	3.0
151.00348	1.5
155.07146	0.6
155.10808	1.2
161.04520	1.4
163.07672	1.9
164.08409	1.0
168.00607	0.8
169.01421	100.0
170.01762	2.7
171.10234	1.1
179.10765	2.6
199.09865	0.8
199.13387	0.6
241.10780	0.4
250.86722	0.4
263.07181	0.6
291.14557	2.1
301.15802	0.4
333.20840	0.6
336.19070	0.5
350.20944	3.9
351.18582	0.4
351.21835	4.4
361.14697	0.5
361.18671	4.5
361.77243	0.4
453.25082	0.4
469.54416	0.5
513.19562	14.4
513.27020	6.2
514.20477	1.8
514.26947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08347	0.8
55.41724	0.7
59.01380	13.3
61.98826	6.3
69.03456	4.5
69.37125	2.7
69.37546	2.7
71.01388	7.5
73.02938	1.8
79.01896	1.8
79.95731	2.0
80.96519	7.2
81.03467	1.3
83.01385	2.8
85.02947	2.3
87.00877	1.3
87.04507	1.5
89.02438	5.6
94.00088	0.7
94.98084	2.4
95.01392	3.2
96.96013	1.6
96.96918	1.1
97.02948	4.2
99.00912	0.7
101.02447	5.2
107.01376	2.6
108.02161	1.5
109.02940	1.6
111.00874	1.0
113.02464	2.3
116.03745	0.6
119.03471	2.2
121.02966	1.0
123.00887	12.3
124.01673	23.1
125.02454	48.2
126.02770	1.2
137.02451	3.9
137.09718	2.2
139.00409	1.3
149.99590	31.7
150.06868	2.2
151.00374	5.3
155.10774	10.2
161.04568	1.0
163.04021	1.2
164.02502	0.7
164.98625	2.0
167.03453	1.9
167.36769	0.6
168.00641	69.1
169.01408	18.1
179.10741	3.1
181.12280	3.1
185.00807	0.8
199.09740	2.8
211.02463	1.7
225.00699	2.2
271.04651	3.0
275.02255	0.9
289.10641	1.0
307.11612	2.0
313.05856	1.7
333.21234	0.8
351.21658	2.7
361.18665	8.2
427.42566	0.8
469.16821	1.1
495.18527	0.8
513.16327	100.0
514.15503	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	513.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64973	0.8
54.98489	0.9
58.00584	1.7
59.01375	7.9
61.98827	4.3
67.01896	1.2
69.03451	1.9
69.28905	2.0
69.29308	6.6
71.01382	5.3
73.02943	4.5
79.01904	2.3
81.03490	1.0
83.01364	1.5
84.92770	1.0
85.02968	3.0
87.04518	6.2
89.02433	1.9
95.01409	2.9
96.96973	1.2
97.02953	2.8
101.02448	9.6
107.01382	14.3
109.02972	1.3
111.00905	0.9
113.02463	1.5
123.00887	14.5
124.01715	1.7
125.02444	66.5
126.02808	1.8
135.08173	1.7
137.02408	1.5
137.09723	15.7
139.00378	4.1
140.01146	3.1
141.01909	2.8
143.03491	1.0
151.00354	8.0
153.01947	1.2
155.10779	89.5
156.11087	2.6
161.04617	1.4
168.00662	2.6
169.01422	100.0
169.12320	3.9
170.01807	4.3
181.08688	3.7
181.12296	1.3
183.02985	1.0
193.01375	1.3
199.09756	84.0
200.10126	3.8
211.02478	3.7
213.11295	4.0
241.10797	23.9
271.11813	7.3
301.12878	22.1
302.13199	1.6
313.05569	5.8
321.19302	1.5
361.14993	43.2
362.15329	3.6
453.14023	1.1
513.16437	57.0
514.15723	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	512.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93034	1.0
61.98832	100.0
89.17919	1.1
96.58985	1.0
98.20776	2.4
103.04034	3.2
103.69553	0.9
111.85677	1.0
116.84378	1.0
124.70992	1.1
127.25815	1.1
131.69647	1.0
217.97395	1.0
230.01842	1.3
265.45499	1.1
345.51749	1.0
351.01566	1.1
369.24429	1.1
377.10672	1.1
512.27252	2.4
515.56586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.5
59.01382	4.0
61.98832	2.0
62.89588	0.5
64.44788	0.5
67.01885	0.9
69.03455	2.0
69.29006	1.9
69.29433	2.4
71.01382	2.4
71.91006	0.5
72.99338	0.6
73.02922	0.9
78.91907	0.5
79.01902	1.0
81.03457	0.6
85.02943	1.1
86.79970	0.4
86.96387	0.5
87.04526	1.3
87.06487	0.4
87.18742	0.4
89.02454	0.5
95.01392	1.9
96.95983	0.8
97.02949	1.9
98.20592	1.0
101.02443	1.1
107.01402	1.1
108.02168	7.7
109.02962	6.3
113.02510	0.7
121.02895	0.9
123.00895	4.1
123.04502	1.4
124.01653	3.6
125.02447	100.0
126.02811	2.9
135.04504	0.6
137.09685	2.1
139.00334	0.9
140.01167	0.5
151.00317	0.7
152.01152	7.1
153.01917	2.7
153.05579	1.5
155.10773	9.0
156.11113	0.6
166.99776	0.7
168.00621	5.4
169.01419	87.9
169.12215	0.6
170.01781	2.7
177.49031	0.5
183.80371	0.6
187.66505	0.5
199.09731	10.4
211.02513	1.3
215.12823	0.7
237.12187	0.6
241.10780	2.7
269.06607	0.6
271.04642	1.8
283.11838	3.0
313.05588	1.0
331.06750	0.6
339.28500	0.5
343.13873	1.8
351.18304	0.5
451.08768	0.7
456.23230	0.5
469.17142	24.7
470.17413	2.0
513.16321	20.8
514.15582	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	512.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.2
61.98833	19.2
71.01380	4.7
71.50389	1.4
72.99307	1.3
85.02966	1.8
89.02420	3.5
101.02445	2.6
107.01378	3.5
119.03501	2.5
123.00885	9.2
125.02444	16.3
139.00359	2.8
140.01134	1.2
151.00369	7.3
163.04073	1.1
168.00647	2.3
169.01421	25.3
170.01773	1.5
191.05583	2.0
211.02473	4.6
271.04587	10.2
271.10837	1.8
275.01889	1.5
287.05472	1.3
299.98630	1.4
300.99887	5.1
313.05557	2.9
323.76581	1.6
361.07974	1.4
449.12997	100.0
450.13397	7.7
512.13464	1.2
513.17438	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	512.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13156	0.5
61.98832	100.0
64.81511	0.4
65.20387	0.4
69.73140	2.5
69.78218	0.4
70.56938	0.4
71.01386	0.6
109.02957	2.2
121.03001	0.5
123.00916	0.5
125.02477	1.3
135.00882	0.9
137.02463	0.8
148.94902	0.6
149.02454	1.3
160.01602	0.4
163.00414	1.0
169.01436	1.5
173.42012	0.5
191.05751	0.4
229.37192	0.4
244.11778	0.4
259.06195	1.2
269.04657	1.9
279.00949	0.4
287.05621	13.3
288.05984	1.1
311.41882	0.5
374.10898	0.5
449.86954	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81755	4.0
55.74232	3.8
57.03438	4.3
59.01366	10.5
61.98831	75.3
70.83596	3.9
70.83960	6.5
71.01373	11.0
85.02934	4.3
89.02442	6.2
93.03455	3.7
104.46796	5.1
107.01388	8.4
120.99580	4.2
121.02983	10.1
123.00888	11.6
125.02449	79.4
126.90371	5.7
139.00360	7.7
151.00388	19.4
152.01184	3.9
153.01942	3.9
161.02484	4.3
165.01909	14.1
168.00676	4.0
169.01428	27.6
170.01787	5.8
178.99957	7.5
183.68913	3.3
193.73979	3.6
211.02417	8.7
243.06622	4.4
259.06097	58.6
260.06619	5.0
269.04541	60.1
270.04834	5.3
271.04486	10.4
287.05606	26.8
288.05786	4.4
300.99966	4.4
319.85269	4.5
434.02621	4.0
449.10837	100.0
450.11151	10.6
480.12268	5.7
512.14502	30.1
512.28571	4.4
513.16040	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44250	0.7
59.01361	1.6
61.98825	1.6
66.25894	0.6
70.28043	0.6
71.01367	0.6
76.06547	0.7
80.02689	1.4
81.03456	1.6
83.05031	6.6
84.02183	1.2
87.00230	0.7
89.42824	0.6
95.04998	1.4
97.06583	1.0
109.06576	0.7
111.17042	0.6
112.02396	0.6
117.77255	0.6
120.58621	0.5
123.08190	1.2
125.09741	2.9
135.08150	1.3
140.01791	0.6
144.24571	0.6
149.09718	1.4
163.11296	4.8
165.12851	2.6
171.10258	26.7
172.10643	1.2
181.12312	0.7
185.11795	2.2
191.10732	1.1
197.11862	0.7
203.49951	0.7
207.10204	1.0
209.11816	100.0
210.12164	5.4
211.13422	0.8
221.11844	1.7
223.13309	1.3
227.12852	9.4
233.11737	0.6
239.12799	0.7
247.13383	8.7
249.14803	0.8
265.14346	3.1
311.15009	0.6
321.17148	0.7
331.22910	0.9
375.21674	2.0
375.25833	1.0
389.69806	0.7
393.26544	0.8
401.23361	1.8
419.24551	1.6
431.24368	0.7
449.25513	1.9
475.26718	3.4
476.27380	0.7
493.28278	1.2
511.29514	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	511.2908
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
54.89098	0.8
57.03460	1.0
57.78803	0.7
58.74236	0.8
59.01387	3.3
61.98827	1.4
62.13898	1.0
71.50471	0.9
71.50853	1.1
77.38834	0.8
80.02674	1.6
81.03438	1.2
83.05026	5.6
83.42812	0.8
83.90620	0.8
84.02164	1.1
85.85572	0.8
88.29928	0.9
93.03435	1.7
97.06574	1.5
109.06596	1.0
123.08159	1.8
125.09709	3.1
131.03542	0.8
135.08118	1.4
139.07582	1.0
163.11313	4.8
165.12830	2.6
169.57849	1.0
171.08801	2.0
171.10266	36.2
172.10725	1.0
179.14308	1.0
181.12302	1.7
183.13916	1.1
185.11833	2.9
186.06044	0.9
191.10748	1.5
199.13278	1.3
203.14351	1.0
207.10204	1.2
209.11818	100.0
210.12099	6.2
211.13229	0.9
221.11809	1.7
222.75247	0.9
223.13440	1.7
227.12895	11.1
247.13403	10.8
248.13751	0.9
265.14423	4.0
316.89151	1.0
339.18240	1.1
375.21329	2.0
375.25638	1.5
419.24200	2.0
437.25488	1.6
449.25513	3.3
467.30511	1.1
475.26920	3.4
493.27866	3.2
511.28983	7.3
512.29352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2696
Annotation	Ganoderic acid E
Peak:m/z	Relative Intensity
57.22591	0.5
60.07193	0.4
68.99576	4.0
71.49989	0.7
103.23266	0.6
112.98563	4.0
135.37411	0.5
161.27452	0.5
177.01874	1.3
188.04807	0.6
201.01875	0.6
204.00713	0.6
204.04213	1.4
215.03468	1.4
216.04167	2.2
222.01796	0.5
232.03839	0.8
236.03285	0.8
242.02257	1.3
243.02882	1.2
244.03828	1.1
259.02444	1.8
260.03174	1.1
270.01685	1.1
271.02454	1.5
274.01263	1.5
283.02444	1.0
287.02011	4.7
288.02771	7.2
301.03452	2.3
302.04187	1.1
315.05325	0.5
343.08240	0.5
357.09409	0.6
358.10724	0.5
371.11374	1.6
385.13071	1.0
386.13699	0.7
465.26767	0.6
493.25900	1.8
511.26978	100.0
512.27368	13.6
512.33337	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.0
57.03415	2.4
59.01380	62.4
59.15441	1.6
61.98829	13.5
69.18932	8.9
69.19358	7.9
71.01384	41.7
72.99283	2.6
73.02943	17.6
78.95895	3.8
81.40239	2.0
83.01399	12.5
85.02954	22.6
87.00831	1.9
89.02452	6.8
95.01389	3.2
97.02915	3.0
99.00886	5.9
99.08169	2.8
101.02447	45.6
103.03996	2.6
110.98560	3.3
111.00930	1.9
113.02467	16.4
119.03510	3.5
125.02442	6.3
125.09713	2.7
159.03020	3.7
161.04556	13.2
168.00594	1.8
169.01460	4.4
171.10281	12.1
183.02963	2.9
191.25217	1.9
193.12407	3.3
209.11810	22.9
211.13380	8.1
225.11348	2.4
225.14966	3.9
227.12897	3.1
243.15909	2.3
247.13367	3.0
293.21524	2.0
294.88403	2.0
305.19687	83.9
306.20029	3.7
319.21191	3.6
343.24857	22.1
379.21439	2.8
451.25470	100.0
452.25974	9.7
511.28534	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	511.2551
Annotation	Andrographiside
Peak:m/z	Relative Intensity
52.42511	0.8
55.01874	5.9
55.78581	0.7
57.03434	5.1
58.00581	2.1
59.01381	56.1
60.01703	0.8
61.98822	2.4
68.99795	0.8
69.03445	2.9
69.21566	7.3
71.01382	100.0
72.99303	3.5
73.02948	42.8
73.03326	0.8
75.00860	2.4
81.03455	1.9
83.01382	13.1
85.02950	34.4
87.00884	5.8
89.02444	59.3
93.01633	1.0
95.01396	7.2
97.02950	5.6
99.00270	1.7
99.00883	26.3
101.02442	78.4
102.02789	1.0
111.00871	2.4
113.02450	31.1
115.03983	3.5
119.03498	10.6
125.02441	8.5
129.01884	1.3
131.03506	14.8
143.03494	5.6
149.04550	31.8
150.04980	0.9
159.03006	5.5
161.04550	33.3
164.17342	1.0
179.05565	2.5
191.01643	0.9
191.05606	10.2
209.11780	3.4
217.15926	1.7
227.13023	1.3
233.06627	6.6
251.07614	1.9
293.08688	3.4
379.21265	48.5
380.21603	4.4
423.20309	1.0
451.25345	3.9
511.25394	69.9
512.25677	7.8
531.54089	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00958	0.4
52.99120	0.3
58.69975	0.3
59.01377	1.6
61.98827	1.9
65.65172	0.4
69.03454	0.7
70.38831	1.0
70.39188	0.4
70.55312	0.3
71.01373	2.1
77.64060	0.3
80.00513	0.3
81.03459	1.5
85.02950	2.2
93.03477	0.6
93.79714	0.4
95.01401	1.9
97.02977	0.4
101.02427	0.7
107.01382	0.5
108.02174	100.0
109.02969	30.4
110.03284	0.4
113.02437	1.0
119.84212	0.3
121.02967	1.2
121.82973	0.4
122.03723	0.4
123.00886	1.2
123.04541	0.6
125.02475	0.7
133.02950	1.0
135.00887	1.0
135.04529	0.6
151.04080	0.9
152.01152	64.5
153.01941	17.9
161.04451	0.5
163.04031	1.4
165.01942	1.1
179.03485	0.4
181.09610	0.4
183.13889	1.0
195.13911	1.0
213.14952	5.5
217.06659	0.4
225.04028	0.4
279.98746	0.4
315.07321	0.8
347.49817	0.4
379.38199	0.4
479.10870	0.4
511.21838	97.5
512.22162	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	511.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.4
57.03437	3.9
58.00583	2.8
59.01381	58.8
61.98823	2.5
69.03460	2.9
69.13931	10.4
71.01383	100.0
72.99311	3.7
73.02949	38.1
75.00869	3.3
81.03451	1.6
83.01396	14.0
85.02951	34.8
86.00134	1.1
87.00867	6.1
89.02447	59.9
95.01391	5.4
97.02943	5.2
99.00336	0.8
99.00877	30.6
101.02441	71.3
102.02748	1.0
103.49552	0.9
111.00871	2.1
112.12119	0.9
113.02457	33.7
114.02747	1.3
115.03992	3.1
119.03491	13.3
125.02450	9.5
127.17796	0.9
129.01955	1.5
131.03502	16.4
143.03525	5.1
144.81213	0.9
149.04555	32.1
159.03015	4.6
161.04558	30.3
179.05629	1.8
191.05640	12.5
209.11806	3.3
217.16023	1.6
226.45311	1.0
227.12917	1.7
233.06645	5.7
251.07753	1.4
293.08743	3.1
299.99118	1.4
379.21243	46.9
380.21570	4.7
423.20349	1.5
448.09579	1.3
451.25455	2.4
511.25433	64.7
512.25696	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	511.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.5
67.01901	1.2
69.03460	0.8
69.33323	5.7
71.01391	1.5
71.27306	0.6
73.02945	1.8
81.03449	1.0
83.05039	1.4
84.82906	0.7
85.02951	6.8
87.00867	4.5
93.03456	20.5
98.19842	1.1
99.00846	0.9
107.05038	1.4
109.02962	2.1
111.04511	4.2
117.03459	0.8
119.05029	10.4
121.02924	0.9
125.02467	1.0
127.04032	2.7
129.01941	0.9
133.06627	1.0
137.02460	1.8
145.02959	2.7
147.04503	0.9
155.03485	1.9
156.05750	0.7
157.06622	1.0
161.02409	1.0
163.04016	5.8
164.76146	0.7
169.01450	0.9
173.04613	6.4
173.05997	0.7
181.61467	0.6
185.06029	1.0
187.07521	0.8
189.01933	0.9
189.09222	2.1
191.05611	100.0
192.05966	2.6
195.08063	1.5
201.02045	0.8
203.03426	0.9
209.06032	0.8
211.07628	1.4
213.09213	3.3
217.01274	0.9
229.08754	0.9
231.10335	0.8
243.03523	0.8
245.00912	1.0
247.02417	1.2
270.98770	1.6
273.00491	2.2
293.10367	4.4
298.98221	3.2
319.08301	4.4
337.09274	54.0
338.09534	3.9
451.04758	0.7
479.04617	0.8
511.14557	77.5
512.14868	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	511.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50007	0.6
59.01387	3.4
61.98827	8.4
67.01894	1.1
69.03449	0.9
69.43861	3.5
69.44265	1.2
71.01385	6.3
73.02941	1.2
74.99084	2.5
83.01365	1.5
85.02932	2.0
86.86353	0.7
87.00838	0.9
89.02452	0.7
91.39119	0.7
92.08691	0.7
95.01406	1.8
97.02918	0.9
101.02435	2.8
107.01385	8.2
111.00892	1.5
113.02430	2.8
119.03424	0.7
123.00883	10.3
124.01661	1.8
125.02440	47.7
126.02741	1.4
136.99110	3.7
137.02443	2.2
138.03226	47.2
139.00368	3.0
139.03902	1.6
140.01164	2.2
141.01904	0.9
143.07140	2.3
150.03239	1.7
151.00366	7.0
153.01956	2.2
153.05569	100.0
154.05891	3.7
154.68047	0.6
163.00287	1.0
164.01151	5.0
165.01927	1.0
165.05518	1.2
168.00624	4.0
169.01414	56.5
170.01750	1.8
177.99124	0.7
179.03535	5.8
180.04391	0.9
183.03030	0.9
195.06648	1.4
197.04550	2.7
211.02448	1.8
241.03487	1.1
254.64130	0.7
271.04520	1.4
292.17157	0.7
301.78000	0.7
313.05621	20.6
314.05930	0.8
327.07098	1.0
359.09818	56.8
360.10278	4.0
431.40137	1.0
467.11923	17.9
468.12238	2.1
493.09851	29.6
494.10037	3.1
511.10928	44.5
512.11218	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	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65849	0.3
59.01373	2.7
61.98830	100.0
62.25416	0.3
69.53881	0.9
69.54312	1.4
70.19826	0.4
70.35299	0.3
71.01395	1.5
82.36745	0.3
89.02454	1.1
101.02472	0.7
113.02477	0.4
123.00856	0.6
125.02405	1.9
131.03513	0.4
137.02464	1.2
151.00383	0.5
159.03033	0.4
169.01401	1.9
180.16568	0.4
183.02968	0.5
203.42720	0.4
225.04089	0.6
284.03604	0.4
285.03882	0.7
285.06577	0.5
434.17728	0.4
447.09500	0.6
467.19489	0.4
470.88156	0.4
510.12686	0.6
510.24548	0.9
511.18570	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	510.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68718	0.4
59.01382	0.4
61.98830	100.0
69.23327	0.3
69.32263	1.3
69.32690	1.0
101.35468	0.3
106.53838	0.3
117.04136	0.4
117.47671	0.3
125.02438	0.3
152.00116	0.3
158.26054	0.3
163.04018	0.4
211.13411	0.8
239.72073	0.3
508.75781	0.3
511.18832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01409	0.3
61.98829	100.0
65.03305	0.4
69.37878	1.1
69.38307	1.4
70.55882	0.3
71.01327	0.3
80.69344	0.3
81.67080	0.3
84.61475	0.3
85.23381	0.3
91.82844	0.3
125.02443	0.4
129.61845	0.3
140.01202	0.4
169.01485	0.4
179.37517	0.3
181.07494	0.3
262.89957	0.4
300.78854	0.3
341.81586	0.4
352.00836	0.3
388.99249	0.3
511.16238	1.6
512.07214	0.3
529.13281	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.6
61.98830	100.0
66.57352	0.5
70.82150	1.0
80.13368	0.5
88.22195	0.5
89.02457	0.7
110.34595	0.5
112.28373	0.6
119.91293	0.6
135.53766	0.5
174.68950	0.5
208.37744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
60.01754	0.3
61.98829	100.0
63.99259	0.5
68.94119	0.3
69.45290	1.7
71.01401	0.8
80.18318	0.3
85.03919	0.3
89.02460	0.7
98.20759	0.5
101.02471	0.7
125.02477	0.4
129.69690	0.3
169.01472	0.4
180.38698	0.3
241.74445	0.3
313.05972	0.3
386.82254	0.3
511.18539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2882
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
52.88384	0.5
53.24000	0.5
54.96527	0.5
61.98753	0.6
64.15952	0.5
78.95785	16.1
78.96294	2.2
93.09137	0.5
96.96824	2.2
96.97411	0.6
125.02252	0.6
133.45204	0.6
152.99579	31.0
153.99855	0.6
154.29739	0.5
158.04576	0.5
168.91661	0.5
171.00490	1.7
188.28282	0.5
211.97464	0.5
227.03261	5.0
245.04300	1.1
281.24847	100.0
282.25195	8.5
287.01929	0.8
288.02591	0.8
417.24487	0.8
437.49380	0.6
437.60178	0.5
463.93387	0.5
509.29257	52.9
510.29721	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
69.25805	15.6
72.55860	1.9
100.47177	1.9
100.95728	1.7
108.02193	3.5
125.02445	1.9
132.36227	1.8
159.27214	1.9
169.01370	2.3
226.99879	2.2
227.03487	31.8
255.02972	37.9
256.03580	5.1
256.94724	2.0
284.03259	50.7
285.04028	16.1
286.04288	2.0
289.86145	2.1
345.47534	2.0
447.09326	91.1
448.09686	10.9
510.16806	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	510.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28925	0.7
56.23495	0.7
57.42970	0.7
57.67745	0.8
59.01374	1.1
61.98827	8.2
70.99193	1.9
72.70582	0.7
73.05934	0.8
107.01396	1.7
133.02962	2.9
146.74969	0.9
148.01575	0.7
151.00354	2.9
175.03986	1.4
244.84921	0.7
256.03714	2.0
284.03247	43.8
285.04022	92.5
286.04272	5.1
376.77356	0.8
447.09302	100.0
448.09637	8.5
451.32532	1.3
510.17084	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85417	2.0
51.07000	2.1
55.39200	1.7
58.95485	2.0
59.01383	3.2
61.98832	69.5
84.09649	2.1
90.50958	1.8
113.94702	2.0
125.49106	1.8
128.48427	1.7
135.48671	1.8
151.00352	2.5
154.53265	1.7
164.81477	2.1
227.03516	33.6
227.05705	3.3
243.53128	2.3
255.02983	40.4
256.03711	4.7
284.03268	47.5
285.03943	17.2
447.09317	100.0
448.09637	11.3
510.17130	3.4
510.55859	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	510.089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98022	0.9
59.01115	0.7
59.01384	9.9
61.98832	10.1
63.02372	0.6
71.01381	4.7
71.51599	0.8
71.74892	0.7
73.02971	1.0
79.01878	0.9
83.01391	1.0
85.02959	1.7
89.02452	1.9
95.01372	0.8
95.97180	0.6
96.95986	0.8
97.02917	0.9
101.02446	3.2
107.01392	1.7
108.02227	0.7
113.02473	1.3
122.99117	7.9
123.00900	1.9
123.04525	1.1
123.99429	2.5
124.98663	0.9
125.02462	6.1
133.02917	4.3
137.02397	1.8
139.00348	0.8
144.74422	0.7
149.02364	2.0
150.98601	1.5
151.00369	5.3
152.01166	0.8
153.01920	0.9
153.05647	0.9
166.98111	1.0
167.98955	0.8
168.00597	1.4
169.01413	5.8
175.03963	2.9
181.06613	1.0
188.66318	0.7
199.03929	1.5
217.05101	2.2
255.02936	0.8
256.03690	1.7
258.03549	5.5
259.03931	11.0
260.04492	2.5
284.03223	5.1
285.04041	100.0
286.04343	6.8
347.24310	1.3
421.09579	3.6
422.09924	13.2
423.09708	1.8
447.09305	47.8
448.09448	4.9
467.19214	2.1
509.29608	13.9
510.10733	4.1
510.17816	2.3
510.30060	6.5
511.18668	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	509.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26440	0.5
61.98798	0.7
70.04912	0.6
70.05253	1.9
78.95898	6.7
88.23192	0.5
96.96923	0.7
98.19946	0.6
99.16734	0.5
124.01672	0.5
133.67180	0.5
152.99597	11.1
177.01855	1.1
177.05112	0.5
187.03902	0.9
188.04691	0.7
190.02422	0.5
196.89491	1.1
203.03314	0.8
204.04272	0.6
214.02625	0.8
215.03444	1.3
216.04150	2.0
221.29785	0.5
227.03262	1.2
232.03720	0.7
236.03191	1.0
242.02054	1.3
243.02930	1.6
245.04213	0.9
259.02176	1.8
260.03064	1.5
270.01520	1.3
271.02249	1.7
274.00998	1.7
281.24866	32.5
282.10571	0.5
282.25330	2.2
283.02493	0.5
284.03098	0.6
287.02048	5.4
288.02774	7.3
301.03540	2.5
302.03931	0.8
315.04706	0.9
357.09683	0.8
371.11124	1.1
385.12723	1.0
386.13611	0.9
481.24872	0.9
491.23953	1.6
509.25076	100.0
510.25446	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	509.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34498	1.1
53.89980	1.1
57.03420	1.5
58.00577	2.2
59.01378	100.0
61.00890	1.1
61.98829	10.5
65.68050	1.1
71.01014	2.0
71.01382	35.3
72.23830	1.0
72.99316	7.7
73.02947	25.2
82.52423	1.1
83.01385	2.0
85.02952	12.1
86.10449	1.3
87.00874	10.4
87.04520	13.4
87.99126	1.1
89.02444	27.4
97.02938	1.5
99.00875	1.4
101.02440	52.8
103.04011	20.6
110.67591	1.1
110.99242	1.1
113.02480	5.5
115.03995	6.7
119.03489	12.9
120.07857	1.2
125.02403	4.7
127.03997	1.8
131.03525	10.9
143.03508	10.0
145.05078	7.1
152.01114	2.1
161.04536	2.6
163.06128	74.5
164.06505	1.9
169.01379	3.6
170.53743	1.5
179.05562	2.2
205.07162	24.2
206.07513	1.2
211.02443	2.0
265.09311	5.6
271.04642	2.7
317.19556	1.9
340.49893	1.3
341.23514	1.5
357.67511	1.2
441.83044	1.3
449.24011	12.2
450.23929	2.0
489.08585	1.3
509.19745	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2547
Annotation	Applanoxidic acid F
Peak:m/z	Relative Intensity
61.98795	0.7
63.10729	0.9
74.46919	0.7
78.95905	10.1
96.96941	1.4
103.03944	3.1
104.55285	0.9
152.99583	13.4
167.00140	1.9
171.00546	0.8
214.02554	1.0
216.04115	1.0
227.03108	2.7
243.02725	1.6
259.02109	2.5
260.03119	1.4
271.02420	1.3
274.00934	2.5
278.90320	0.7
281.24850	46.9
282.24963	2.3
287.01923	5.1
288.02725	7.9
301.03192	3.0
315.04883	1.4
330.07184	1.5
357.09262	0.9
358.10562	1.2
491.23740	1.6
509.24988	100.0
510.25354	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	509.2543
Annotation	Applanoxidic acid F
Peak:m/z	Relative Intensity
52.80981	0.8
56.39763	0.8
62.77022	0.9
64.60430	0.8
67.49047	0.9
68.37069	0.9
69.99204	1.4
69.99567	4.2
77.73830	0.9
79.91763	0.8
124.74199	0.9
150.26225	0.8
159.04556	1.7
186.03212	1.3
188.04811	3.1
201.05522	3.4
214.06367	1.0
240.07872	1.7
244.00102	4.2
253.08606	1.8
258.01688	5.3
268.10968	0.9
271.02475	3.4
283.06000	1.1
321.25134	1.0
381.27991	3.5
400.61026	1.0
409.27466	14.4
410.27573	1.1
481.25925	42.9
482.26407	6.5
509.25415	100.0
510.25732	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	509.2029
Annotation	3-[4-[1-(4-Hydroxy-3-methoxyphenyl)-1,3-dihydroxyisopropoxy]-2-hydroxyphenyl]propyl alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
54.50394	0.5
59.01380	0.9
61.98832	6.6
65.38529	0.5
66.46769	0.5
69.29642	4.6
69.30041	1.2
71.01386	1.2
81.03446	1.5
85.02974	1.7
93.03458	0.9
95.01402	1.3
98.20721	0.8
108.02174	99.8
109.02977	29.2
110.03291	1.2
113.02376	0.5
121.02939	1.4
123.00859	1.1
123.04480	1.2
135.04518	0.7
143.08423	0.5
151.04053	1.0
152.01151	62.8
153.01950	17.4
163.04010	2.3
165.01918	0.8
169.01390	0.7
211.13409	3.1
366.72012	0.5
509.20245	100.0
510.20544	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	509.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.7
61.98829	25.1
71.01381	9.7
71.50894	2.1
71.51282	2.2
72.99304	4.0
73.02925	4.4
74.99067	3.2
75.00883	2.6
81.03452	2.6
85.02946	11.3
89.02431	5.7
93.03434	4.1
93.08910	1.7
95.01393	3.7
101.02420	7.3
107.01403	2.1
108.02174	95.0
109.02965	51.4
110.03223	2.1
113.02411	3.9
119.05061	2.3
120.01245	2.8
121.02930	7.3
123.00867	4.3
123.04533	3.9
125.02460	12.5
132.02153	3.2
133.02934	4.2
134.03705	6.0
135.04503	3.1
136.01665	32.0
136.99165	2.1
137.02394	7.8
139.00330	1.9
149.06047	2.5
151.00273	1.9
151.04024	17.8
152.01147	99.5
153.01950	38.6
154.02335	2.7
155.10718	5.7
160.01654	18.8
161.02454	13.1
163.03886	2.7
165.01883	8.8
169.01440	16.6
175.03983	24.4
179.03391	2.6
183.02899	11.5
193.05017	6.0
195.06526	2.0
199.09731	3.0
209.00864	8.7
211.02397	3.5
215.12785	4.2
223.80994	2.0
269.08194	3.2
271.04501	6.8
271.98212	2.0
285.04013	5.6
313.05246	2.7
315.07458	21.0
323.07794	2.9
347.07635	5.9
357.08167	26.0
358.08563	2.5
389.21622	2.2
473.16660	1.9
491.11929	66.7
492.12283	6.4
509.12881	100.0
510.13074	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	509.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09859	0.9
59.01383	7.2
61.98832	2.0
64.39989	0.7
67.01878	0.8
67.26845	0.9
69.03474	0.9
70.24734	1.5
70.25131	1.7
71.01381	4.9
73.02946	0.8
73.93629	0.7
79.01909	1.0
83.01393	1.2
85.02953	0.9
85.61693	0.8
87.00883	1.0
89.02439	1.3
91.54643	0.8
95.01394	1.2
97.02962	1.1
101.02433	2.2
107.01400	7.8
111.00895	1.5
113.02446	1.9
120.56847	0.8
121.02981	1.0
123.00894	9.5
123.04522	2.9
124.01635	2.2
125.02446	43.8
129.04274	0.9
135.04507	5.1
136.01671	1.2
136.05327	1.5
136.98920	1.0
139.00369	5.3
140.01164	2.5
150.03145	1.2
151.00363	7.9
151.03966	2.0
151.07574	1.4
153.01979	0.9
153.05606	1.5
161.04597	0.8
168.00655	3.2
169.01428	56.9
170.01744	1.7
183.02950	2.5
195.06653	13.6
211.02466	2.9
241.03517	1.4
271.04495	2.0
282.17865	0.9
313.05621	13.5
396.98157	1.0
438.78564	1.0
461.18228	2.6
491.11807	7.9
509.12994	100.0
510.13113	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	508.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
67.95582	1.9
103.20153	1.6
128.32994	1.7
150.37959	1.7
174.53226	1.8
175.34877	2.0
217.23364	1.8
330.87796	1.6
412.29947	2.5
416.94418	2.2
439.31888	3.1
440.32312	8.5
472.35101	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	509.1297
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
57.03435	1.8
59.01388	16.8
61.98831	10.5
67.01897	2.6
69.03451	2.4
71.01391	17.2
71.51477	3.0
72.99319	3.2
73.02966	4.1
75.00896	2.8
79.01889	2.6
83.01384	3.1
83.63580	1.8
85.02949	8.6
87.00880	2.8
89.02454	6.5
93.03483	3.1
95.01366	4.2
101.02468	10.7
104.65536	1.9
107.01390	12.8
108.02195	17.3
109.02975	10.7
111.00895	4.4
113.02448	8.1
120.99629	2.1
123.00895	25.0
124.01730	3.1
125.02453	62.9
126.02840	2.2
136.01677	2.4
136.05334	3.2
136.98837	5.7
137.02440	6.3
137.06119	2.5
139.00403	12.2
140.01199	13.2
141.01956	3.5
149.06053	5.1
150.06860	20.5
151.00389	16.7
151.04030	3.7
151.07628	9.1
152.01138	17.1
153.01897	6.7
155.10806	2.7
160.01660	3.2
161.02501	3.3
165.01933	7.4
165.05548	5.9
165.58357	1.9
168.00665	11.6
169.01434	90.1
170.01733	4.5
175.04082	2.4
177.01923	2.7
177.05576	7.3
183.03015	5.3
191.05678	2.9
195.06659	5.9
199.09689	3.1
209.00917	12.1
211.02519	5.7
215.12833	2.8
234.44199	2.0
238.55087	2.0
271.04593	5.3
297.06137	5.6
297.11411	2.3
313.05679	22.5
314.06110	2.5
315.04886	3.7
316.44815	2.3
335.17584	2.1
347.00034	2.6
347.07596	5.7
357.08017	3.9
357.11972	4.2
465.14047	56.5
466.14481	6.3
491.12015	96.9
492.12378	14.3
509.12952	100.0
509.29666	3.2
510.13141	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	508.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14630	0.5
57.03470	0.5
57.83979	0.5
58.00605	1.2
59.01382	36.0
60.01721	3.3
61.98833	100.0
71.01383	12.8
71.28603	0.4
71.52966	0.8
72.01751	2.4
72.99316	0.8
73.02961	1.4
78.95923	0.6
83.01397	1.5
85.02961	4.9
86.03287	1.0
87.00898	0.7
89.02452	15.9
90.02306	0.5
90.02798	2.2
93.03494	0.7
99.00887	0.8
101.02448	9.8
102.02808	2.2
109.02936	0.8
113.02465	4.6
114.02784	1.4
119.03506	6.3
120.03856	1.3
121.02967	1.1
125.02483	1.6
131.03505	12.6
132.03839	3.5
137.02472	0.9
143.03542	1.2
148.52644	0.6
149.04616	3.1
150.04944	0.5
161.04578	2.2
179.05608	4.8
180.05997	1.7
191.05672	2.2
192.05934	0.8
210.11775	0.5
246.37210	0.5
279.01602	0.6
280.01862	0.5
315.18179	4.1
316.18414	6.7
317.18967	0.5
447.22498	0.7
448.22675	3.8
460.19095	0.5
487.82068	0.5
501.24664	0.6
508.23557	0.8
509.16489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28563	0.3
59.01366	0.8
62.55835	0.3
65.41900	0.3
78.95900	8.8
81.62580	0.3
96.96978	0.6
98.20630	1.1
106.81007	0.3
112.02290	0.3
152.99583	13.4
171.00652	1.0
205.91313	0.3
227.03252	2.2
229.10774	0.4
245.04301	1.7
261.22250	0.8
279.23282	100.0
280.23633	7.4
281.24948	0.8
282.25229	2.0
350.30685	0.3
386.72260	0.3
507.27237	22.7
508.27499	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	508.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41133	0.5
59.01372	3.5
61.98831	100.0
69.52971	2.8
71.01389	1.7
72.01769	0.5
73.02953	0.7
85.02944	0.6
89.02470	1.2
101.02453	1.4
139.48569	0.5
149.04556	0.7
162.55415	0.5
200.01468	0.5
316.18250	1.2
448.22177	2.6
453.91165	0.5
496.37085	0.5
508.29111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91523	1.6
55.01871	2.2
59.01382	100.0
61.98826	7.4
66.65031	1.4
69.98254	8.0
70.41447	1.5
71.01382	37.4
72.99309	1.9
73.02948	3.9
75.54478	1.6
83.01376	2.7
85.02969	8.9
89.02449	53.5
95.01398	3.0
98.19920	2.3
101.02450	30.0
101.37785	1.6
113.02448	14.4
118.89493	1.6
119.03503	19.9
125.02415	2.5
131.02559	2.9
131.03505	44.9
143.03500	3.8
149.04543	12.4
161.04538	5.3
179.05611	17.4
191.05583	8.4
224.96335	1.6
315.18103	17.3
353.75729	1.7
447.22256	7.9
507.21869	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.3
58.00585	2.1
59.01379	100.0
60.82776	0.8
61.98827	7.3
69.54546	5.2
71.01382	40.1
72.99329	0.9
73.02947	7.0
76.20763	0.8
81.48552	1.0
83.01398	3.2
85.02953	9.3
87.00887	2.0
89.02444	43.6
95.01387	1.3
95.58597	0.8
99.00887	3.6
101.02438	29.4
113.02458	12.6
119.03483	8.1
125.02441	1.4
129.01990	1.5
131.03502	51.8
132.03842	1.5
135.04523	2.6
141.41299	0.8
143.03468	2.9
146.57474	1.0
149.04555	35.9
153.09201	1.6
161.04547	9.5
169.01373	1.0
173.04591	1.0
179.03479	3.1
179.05635	6.8
191.05600	20.2
221.06592	2.2
251.07750	2.9
259.99796	1.0
311.09866	1.6
315.18100	25.1
316.18405	1.7
392.49997	0.9
427.60034	0.9
447.22220	14.7
496.42578	1.0
507.28748	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	507.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
72.93793	0.3
76.01517	0.2
78.95910	0.5
98.20673	0.7
116.38809	0.3
152.99567	0.6
159.04468	0.3
161.02486	0.3
174.03214	0.3
175.03999	0.4
176.01180	0.6
177.01897	1.0
186.03233	0.4
187.03909	0.5
188.04752	0.6
190.02754	0.4
201.01903	0.8
203.03487	1.3
204.04280	1.4
205.01422	0.4
214.02646	0.7
215.03477	1.9
216.04248	2.2
217.04977	0.4
218.02190	0.3
229.01520	0.5
230.02119	0.5
231.02950	0.6
232.03738	1.2
236.03223	1.0
242.02191	1.3
243.02985	2.2
244.03668	0.8
245.04329	1.1
257.04572	0.5
258.01538	0.3
259.02432	3.9
260.03250	2.2
270.01743	1.3
271.02457	2.4
274.01224	3.2
279.23196	0.5
283.02441	0.6
287.01953	8.7
288.02740	10.9
289.03027	0.7
298.04608	0.4
301.03577	4.4
302.04221	1.3
315.05133	1.7
316.05746	0.9
329.06723	0.4
330.07373	0.8
343.08252	1.3
344.08685	0.4
357.09769	1.1
358.10443	1.5
371.11298	0.5
372.12054	0.8
385.12991	0.9
386.13821	1.7
435.25677	0.4
439.17590	1.0
440.18277	1.1
451.24573	0.3
452.18307	1.2
461.23340	0.3
477.18466	0.4
479.23792	0.6
489.22711	1.4
491.20422	0.4
507.23819	100.0
508.24158	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	507.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35615	0.4
98.19941	1.2
103.04009	1.3
137.83650	0.4
152.99512	0.8
167.00189	0.7
177.01907	1.0
187.04034	1.1
188.04709	0.8
189.01999	0.4
201.01819	0.7
204.04321	0.8
214.02718	0.8
215.03485	1.9
216.04277	2.5
229.04945	0.5
231.02925	1.2
232.03746	1.6
236.03195	1.0
241.01385	0.5
242.02174	1.9
243.02948	1.9
244.03821	1.0
245.04332	1.3
259.02402	3.7
260.03149	2.4
270.01755	1.3
271.02496	2.0
272.03070	0.5
273.00415	1.0
273.04092	0.5
274.01285	2.1
279.23322	1.2
287.01984	13.4
288.02740	14.2
289.03183	0.6
298.04639	0.6
301.03485	5.5
302.04144	1.5
313.07385	0.5
315.05078	1.8
316.05768	0.7
326.85449	0.5
329.06711	0.8
330.07465	1.6
343.08200	2.6
344.08902	0.8
357.09821	1.2
358.10437	2.3
371.11273	1.4
372.12021	0.8
385.12738	1.6
386.13632	5.1
399.14532	0.4
407.74368	0.4
438.86148	0.4
439.17410	0.5
440.18390	3.7
441.19055	0.5
451.17499	0.5
452.18591	0.5
479.23880	0.6
489.22638	1.3
507.23825	100.0
508.24173	13.3
521.73199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18563	1.5
54.19121	1.5
54.99408	1.6
56.35153	1.7
56.91641	1.6
59.01356	2.0
63.50593	1.8
68.91642	1.6
71.01357	2.3
71.49749	3.6
75.00860	5.8
81.65315	1.5
82.74373	1.6
87.00873	22.4
87.55526	1.6
99.00890	3.2
105.01931	27.4
108.02145	2.2
112.20476	2.0
117.01937	2.2
126.62368	1.8
129.01888	1.7
146.39606	1.8
147.02943	3.2
165.04048	100.0
166.04298	1.9
192.00214	1.7
217.37102	1.7
252.48813	2.1
291.97751	1.7
315.07236	3.7
348.83115	1.8
377.72318	1.8
401.63715	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03452	1.0
59.01377	7.3
61.98833	1.0
68.99820	0.8
69.21975	4.0
71.01377	6.5
73.02950	1.5
83.01402	1.0
85.02966	3.1
88.39777	0.5
89.02439	2.5
90.49308	0.5
93.03461	37.8
94.03788	1.1
95.01395	1.6
98.20686	0.9
99.00878	0.7
101.02451	3.9
102.04028	0.5
106.21066	0.5
107.05019	0.5
108.02168	1.0
109.06541	0.7
113.02450	1.7
119.03509	0.5
119.05074	0.7
121.02953	1.1
123.08119	0.8
125.02484	0.7
135.04572	0.8
136.01665	2.3
137.02448	99.2
138.02771	3.0
138.06857	4.6
153.09222	9.7
167.04785	0.4
172.39648	0.5
179.03531	4.8
191.03500	0.8
195.03339	0.5
203.43620	0.5
207.13954	1.1
209.04506	0.9
216.00606	1.4
221.04520	1.1
225.14868	3.5
227.79182	0.6
239.05583	2.4
259.99634	1.2
281.06677	2.5
383.97580	0.5
507.22311	100.0
508.22617	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	507.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.5
69.03458	0.7
69.30347	3.4
69.30766	1.0
71.01383	4.2
72.32230	0.5
72.99312	0.7
73.02937	0.8
73.84695	0.5
79.01895	1.5
83.01392	0.7
85.02941	1.5
87.00923	0.6
87.25365	0.6
89.02434	2.3
95.01382	2.2
97.02967	1.2
101.02427	2.1
107.01378	6.2
111.00886	1.3
113.02424	1.9
115.19827	0.6
121.02961	0.7
122.59584	0.5
123.00883	12.4
124.01682	1.1
125.02444	51.3
126.02788	1.8
127.00342	0.7
135.11823	0.7
136.98837	1.0
137.02449	1.8
139.00388	4.0
140.01144	1.3
141.01906	1.4
147.04532	0.5
149.09729	3.9
149.99556	0.6
151.00366	7.5
157.06538	0.6
161.02489	0.8
163.03949	0.7
168.00639	4.1
169.01416	66.2
170.01775	2.5
175.07640	15.5
176.07961	0.6
193.08687	95.5
194.09019	5.8
211.02460	1.8
211.13408	6.9
212.13692	3.3
213.13902	2.9
214.96361	0.6
225.26509	0.6
271.04587	1.8
313.05692	8.7
345.09769	0.6
355.13953	17.2
356.14474	0.9
377.78754	0.5
489.14050	1.7
507.15103	100.0
507.28009	3.5
508.15515	12.5
528.52252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1142
Annotation	Moghanin A
Peak:m/z	Relative Intensity
50.95383	0.8
52.74293	0.7
59.01384	5.9
61.98812	1.6
66.75686	0.8
69.03442	1.9
69.19547	8.6
71.01386	5.3
72.99290	0.9
73.02941	1.7
78.52005	1.0
79.01869	1.0
83.01345	1.2
85.02940	3.5
85.75452	0.9
87.00874	1.4
89.02423	1.7
95.01348	2.4
97.02921	2.6
101.02440	4.7
103.55365	0.9
107.01385	2.3
108.02170	1.8
109.02957	1.7
113.02417	2.3
120.01004	0.8
121.02979	1.2
123.00082	1.2
123.00886	10.3
124.01660	21.1
125.02445	41.5
131.03384	0.8
132.02107	2.9
133.02922	0.8
134.03755	6.6
137.02432	4.1
149.99583	32.4
151.00409	4.3
151.03969	0.9
160.01653	10.3
161.04456	1.2
166.99870	1.1
167.03435	1.6
168.00639	62.1
169.01393	9.9
175.02534	1.2
175.03990	13.3
175.19620	0.8
179.85965	0.8
193.05003	4.1
193.08664	1.0
226.40761	0.8
313.05627	6.3
331.06689	18.0
332.07114	1.0
337.09161	2.3
375.23663	1.9
384.66385	0.9
448.80099	0.8
463.12457	1.4
489.10495	1.7
507.11322	100.0
508.11798	12.6
508.28320	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	2.3
59.01379	22.7
61.98830	24.2
62.31608	1.4
62.34364	1.4
66.45296	1.4
71.01385	12.3
71.51640	2.5
71.52044	1.9
73.02942	4.3
77.12302	1.5
83.01396	2.1
85.02971	4.5
89.02451	5.3
93.03458	38.9
95.01405	3.1
95.05036	3.7
97.02971	3.0
99.00901	2.7
101.02444	7.9
107.01379	1.8
108.02161	2.7
113.02447	3.4
119.05030	2.4
121.02930	2.8
123.00902	3.5
124.01668	1.7
125.02457	8.0
131.03535	1.9
132.02132	3.1
133.02936	2.0
136.01694	2.9
137.02444	90.8
137.06029	1.8
138.02818	2.0
138.06879	4.7
145.02998	4.2
147.04517	2.0
151.00359	6.3
152.01175	1.5
153.09200	8.7
159.00894	1.5
159.04582	2.7
160.01660	10.9
161.02469	11.0
163.00345	2.2
163.04012	3.8
164.01183	2.4
169.01462	6.5
172.01637	4.4
175.03990	4.8
176.01245	2.4
177.01926	3.1
179.03477	7.2
187.00337	8.4
188.01138	5.2
189.01910	14.1
190.02693	2.4
191.03404	2.1
193.01292	1.6
201.01947	2.1
203.03531	16.7
204.04330	2.0
205.01390	5.6
214.99875	12.4
216.00606	34.3
217.01265	5.3
218.99365	3.0
219.03043	3.8
219.06577	9.8
225.14932	3.0
231.02928	3.7
232.00069	8.9
233.00714	4.4
234.01727	1.8
235.02547	1.9
239.05598	3.8
242.99329	4.1
245.00912	4.8
247.02599	8.1
248.03221	13.9
258.98935	1.8
259.99609	48.3
260.99991	2.5
275.02005	6.9
286.98456	8.7
287.99081	15.7
288.99802	3.6
292.02258	3.8
303.01471	16.4
306.03891	4.9
307.04568	25.2
314.97849	10.7
318.00220	1.8
319.00864	12.8
335.03998	2.6
347.00424	6.2
351.03577	8.9
379.02954	7.0
416.67184	1.6
445.11343	6.2
463.12524	12.8
463.18707	2.3
475.08743	2.4
489.10272	6.4
489.21432	2.6
507.11368	100.0
507.22336	87.1
507.27829	6.0
508.12021	12.2
508.22537	6.0
513.05304	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	506.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.6
59.01379	18.9
61.98827	23.8
67.01889	1.2
69.03431	1.3
71.01382	13.2
71.51376	1.2
72.99313	9.9
73.02953	2.7
78.82179	1.2
83.01402	1.9
85.02949	7.4
88.04050	1.1
89.02439	8.0
90.92185	1.2
93.03492	2.1
95.01398	3.2
99.62580	1.2
101.02442	9.4
107.01411	5.0
107.99952	1.2
109.02926	2.1
111.00845	2.0
111.04520	2.9
113.02476	7.4
119.03499	2.9
120.01244	3.9
121.02988	1.3
123.00872	10.4
125.02457	28.6
126.02801	1.7
131.03499	1.3
136.59871	1.2
136.98903	1.8
137.02466	1.3
139.00369	3.2
140.01103	1.9
141.01956	1.4
151.00343	10.1
161.02425	1.7
161.04565	2.2
163.04050	1.4
168.00591	2.4
169.01421	30.4
170.01813	1.4
179.03465	1.6
187.00349	1.5
191.05634	5.5
192.05888	2.0
193.01361	1.5
208.00044	1.4
209.00919	2.0
209.09612	2.1
211.02460	5.1
216.00508	1.4
221.09747	12.5
237.09187	2.1
265.08691	4.2
271.04507	6.7
275.15643	1.2
284.62436	1.2
291.10925	2.1
300.99741	1.5
307.49854	1.1
309.07721	5.0
313.05594	4.6
314.03455	1.5
327.08835	4.1
344.58737	1.1
345.09766	7.3
345.15591	23.4
345.19376	0.9
383.02164	1.3
443.11923	100.0
444.12088	10.6
506.10284	1.4
506.22827	1.6
507.15912	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.9
57.03452	3.9
58.00592	1.1
59.01379	31.7
61.98831	1.9
69.03464	1.0
71.01382	58.1
72.62750	0.7
72.99308	2.6
73.02947	18.4
75.00859	1.1
81.03459	0.9
83.01385	8.9
84.90921	0.7
85.02951	30.0
85.03471	1.6
86.00116	1.1
87.00909	3.3
89.02445	12.7
90.12265	0.7
93.03460	7.5
95.01389	4.6
97.02937	1.5
97.35946	0.7
99.00870	7.5
101.02445	45.6
102.96217	0.7
108.98560	0.6
111.00880	6.4
113.02451	22.9
119.03503	3.7
125.02448	2.7
129.01915	1.6
129.37567	0.7
131.03473	1.1
137.02446	12.9
143.03526	2.2
157.12363	1.8
159.02985	5.6
159.99060	0.8
161.04552	19.2
171.13924	1.3
179.05627	1.5
179.10785	1.2
183.02995	2.3
193.48160	0.7
205.03439	0.9
230.70551	0.8
239.20215	0.7
279.23019	1.1
343.24548	1.5
343.28494	13.4
344.28812	1.5
371.37244	0.7
475.32721	1.1
487.28632	0.8
505.34244	100.0
506.34589	9.8
511.82184	0.8
522.29999	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26968	0.5
55.01875	5.1
57.03458	4.3
58.00591	1.2
59.01381	36.8
61.98848	1.3
62.04871	0.6
63.49160	0.5
68.99818	0.6
69.03466	0.9
69.53430	2.5
69.53831	1.0
71.01382	60.7
72.01744	0.7
72.99306	2.5
73.02947	16.6
74.62857	0.5
75.00861	1.4
83.01389	9.0
85.02951	27.1
86.00095	1.2
87.00882	3.1
89.01941	0.5
89.02444	15.4
95.01398	5.2
97.02979	1.2
99.00885	7.1
101.02445	38.0
102.02789	0.9
111.00893	4.0
113.02452	25.9
114.02827	0.8
119.03500	6.3
125.02441	1.4
127.11320	0.6
129.01930	1.1
131.03519	0.8
135.11803	0.6
135.74361	0.6
137.02449	8.0
143.03516	2.3
157.12340	1.2
159.02995	4.7
161.04555	19.8
169.01448	0.5
171.13931	2.0
179.05638	1.2
185.15440	0.6
325.27597	0.5
333.19220	0.7
343.28516	9.9
398.14496	0.6
475.32834	1.3
505.33975	100.0
506.34363	13.4
532.22070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.25845	0.6
59.01387	1.6
61.98822	0.9
66.77164	0.6
78.95908	25.8
96.96956	2.6
107.70667	0.7
135.49532	0.6
152.99590	41.7
155.73677	0.6
171.00647	1.8
173.67308	0.7
212.61978	0.6
227.03294	6.3
245.04277	2.5
275.20026	0.7
277.21722	100.0
278.22095	8.0
413.20728	0.7
441.83176	0.7
505.25726	62.2
506.26016	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	505.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.9
69.01871	0.4
71.26975	0.9
77.60390	0.4
78.95906	9.3
82.73220	0.4
96.96967	0.5
127.07622	0.3
146.52242	0.4
152.99586	14.7
171.00621	1.7
181.42998	0.4
222.61552	0.4
227.03252	3.0
245.04311	2.8
259.20648	0.8
275.20129	0.6
277.21716	100.0
278.22064	8.0
280.23691	0.5
307.45517	0.4
379.80069	0.4
391.85031	0.4
393.40320	0.5
482.24451	0.4
495.52631	0.4
505.25699	25.7
506.26398	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	505.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81114	1.3
58.00600	2.7
59.01379	100.0
59.91580	1.1
66.42236	1.1
66.58064	1.2
69.15343	14.2
69.15692	2.0
71.01382	46.7
71.37991	1.4
72.99297	2.7
73.02946	7.8
74.48135	1.0
83.01398	1.4
85.02946	7.9
89.02444	73.2
93.03456	5.3
98.19949	2.7
99.00887	5.8
101.02443	30.4
113.02437	9.6
119.03484	5.3
125.02451	2.5
129.01920	2.9
131.03502	50.0
137.02449	8.1
149.04561	44.3
177.01823	1.8
191.05603	40.3
221.91324	1.5
251.07758	1.7
263.91705	1.2
281.77930	1.3
290.66135	1.4
505.33566	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2234
Annotation	Macaranone A
Peak:m/z	Relative Intensity
52.24886	0.8
59.13486	0.8
61.98813	1.1
65.83687	0.7
71.50061	1.0
155.86629	0.8
172.05232	0.9
173.06064	1.1
186.03241	3.9
187.03886	0.9
188.04785	1.7
200.04729	1.1
201.05557	1.2
227.07169	0.9
238.06322	2.1
239.06947	0.9
240.07967	1.5
242.02299	1.0
244.00143	2.5
244.49106	0.8
251.07162	1.5
252.07927	0.8
253.08716	1.1
258.01657	9.8
271.02435	5.3
272.03094	2.2
285.03876	1.0
293.11777	1.1
313.07181	1.8
328.09381	1.1
355.11807	0.8
375.19540	0.9
377.24881	1.6
389.21405	1.2
405.24316	9.3
406.24667	1.5
433.23627	1.4
477.15820	1.0
477.22833	41.2
478.23166	6.0
505.22333	100.0
506.22675	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	505.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64187	0.2
57.03445	0.5
58.00590	0.6
59.01382	11.0
62.71075	0.2
69.03448	1.0
69.36343	1.9
69.57507	0.2
71.01382	12.7
72.99307	0.5
73.02954	1.2
75.41735	0.2
79.01928	0.2
81.03450	0.6
83.01385	0.6
83.05033	0.9
85.02941	1.6
85.06567	1.1
88.35870	0.2
89.02444	15.9
95.01392	0.3
97.02973	1.1
97.06613	0.5
99.00856	0.5
99.08186	0.3
101.02442	3.4
110.22729	0.2
113.02444	2.8
114.79912	0.2
119.03516	0.7
125.02446	7.1
126.02702	0.3
131.03516	3.4
135.11797	2.6
143.03499	0.9
149.04544	3.3
149.13397	0.4
161.04576	0.5
167.14424	1.6
181.12430	0.3
191.05617	0.8
204.37152	0.2
211.13390	100.0
212.13733	5.2
233.06648	0.9
269.59015	0.3
293.08868	2.7
294.09076	0.2
343.70914	0.3
416.55185	0.2
464.73328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2238
Annotation	Macaranone A
Peak:m/z	Relative Intensity
53.31353	1.0
59.36930	1.0
71.50837	1.9
95.69942	0.8
95.78111	0.8
104.97690	0.8
125.85978	0.9
172.01729	1.4
186.03250	3.5
200.04700	1.0
201.05608	1.9
202.17790	1.1
214.02747	1.3
214.06329	1.2
230.72754	1.1
244.00148	2.4
246.41344	1.1
258.01700	11.4
271.02478	7.9
272.03177	3.8
273.60858	0.9
279.10303	1.4
283.06143	1.9
285.03891	1.9
285.98245	1.0
299.02078	1.2
313.07263	2.4
339.12485	1.7
343.70444	1.3
355.11896	1.1
356.12466	2.0
367.11612	1.1
405.24338	7.3
409.16638	1.5
477.22861	28.4
478.23071	3.7
505.22348	100.0
506.22656	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	505.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33805	3.0
52.48994	2.7
53.10695	2.9
59.01379	37.1
60.99292	14.9
61.98828	25.2
69.80142	3.3
71.01381	20.9
71.28646	4.4
72.31360	2.8
73.02939	5.9
80.76653	3.0
85.02944	5.9
87.00874	5.1
88.00404	5.4
88.98804	100.0
89.02451	76.7
92.29778	3.0
93.03463	5.0
95.01331	3.4
101.02461	10.7
105.26270	3.4
109.02934	6.4
111.00882	3.8
113.02448	5.6
119.03481	3.0
120.01292	4.2
120.99683	3.3
124.33936	2.9
125.02424	12.8
131.03552	4.2
135.04533	3.2
137.02426	9.1
149.04590	4.6
150.62074	2.8
151.04031	15.4
161.02365	5.9
169.01405	5.8
191.05588	12.7
233.40271	3.4
245.93506	3.0
248.21387	3.2
293.08768	4.5
298.57974	3.1
323.07617	4.2
345.72055	3.3
347.00525	4.2
415.12482	7.0
443.12003	3.9
485.12167	4.0
505.22800	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	505.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40774	0.3
59.01377	0.4
61.98834	0.4
66.63644	0.3
70.00430	1.0
70.00833	0.6
71.83704	0.3
93.03466	0.5
121.02956	100.0
122.03284	3.1
147.67102	0.4
175.74066	0.3
180.05798	0.6
181.06561	3.1
194.62056	0.3
197.06076	2.7
199.07440	0.3
202.95993	0.3
207.04510	1.3
207.07948	0.4
209.33258	0.4
223.03995	0.7
225.05528	2.1
236.98233	0.3
257.09784	0.5
269.08255	0.4
285.09109	0.5
313.07196	4.9
329.44427	0.4
357.06241	1.0
373.10742	0.6
383.07944	1.0
417.09744	9.3
418.10327	1.2
461.12137	0.6
500.14331	0.4
505.11438	7.1
506.11789	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00401	0.8
59.01386	29.3
61.98835	1.8
71.01392	8.9
71.51126	1.2
72.30595	0.8
73.02971	1.6
74.99110	0.9
75.00875	1.0
85.02946	2.3
87.00880	1.3
88.98811	1.5
89.02460	9.6
93.03478	5.4
95.01373	1.1
96.95981	1.3
99.94527	0.9
101.02456	5.9
107.01403	1.1
107.05054	1.4
113.02467	2.2
119.03510	1.2
121.02941	1.9
123.00908	1.1
123.04475	1.0
125.02511	5.4
131.03506	3.5
135.04591	1.2
137.06105	3.1
148.20651	0.9
149.04578	2.8
151.04015	100.0
152.04373	3.2
161.04626	1.2
163.04045	4.3
169.01405	2.4
181.05026	4.8
191.03778	0.9
191.05565	4.1
255.10489	3.3
260.40305	0.9
271.04654	1.4
283.34280	1.0
292.33560	1.1
293.08777	1.8
343.10434	2.5
385.18527	1.1
443.11737	1.5
445.13757	1.8
445.19974	1.4
505.19101	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	504.001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.7
60.01718	1.4
61.01815	0.5
61.98829	100.0
62.80634	0.4
69.28205	4.0
124.44484	0.5
157.03482	0.5
159.03256	0.6
174.99214	4.9
175.99605	0.9
182.26505	0.4
201.02577	3.1
202.02661	3.2
203.02312	3.7
203.99974	6.5
204.02771	0.8
217.00282	21.7
218.00644	7.1
219.00699	1.5
219.97745	51.3
220.99637	1.6
228.98796	0.4
346.00790	0.9
359.01544	1.3
360.01697	5.8
361.01349	7.3
361.98618	21.9
362.99484	1.8
449.07184	0.4
503.95950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.4
70.16830	0.2
71.01413	0.1
78.95908	6.5
83.05024	0.1
96.96999	0.1
122.98507	0.1
132.94460	0.0
152.99593	1.0
154.98558	0.0
168.04320	1.6
171.00610	0.1
224.06947	0.9
242.07999	2.9
243.08316	0.1
245.04189	0.1
261.22314	0.3
277.21725	2.5
279.23291	100.0
280.23624	8.4
410.04279	0.0
414.47729	0.1
504.30957	5.6
505.25513	0.5
505.31473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55278	1.0
59.08385	1.1
61.98833	100.0
69.83803	5.6
86.54038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74712	1.0
52.71332	1.0
54.25784	0.9
61.98836	100.0
71.13584	2.3
80.66669	0.9
88.11887	0.9
135.14162	1.1
163.86572	0.8
176.65662	1.0
315.20651	1.0
324.98608	1.0
506.88501	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	504.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38031	2.3
61.98830	100.0
70.79832	3.8
86.83868	2.2
91.02454	2.2
105.21177	2.5
203.34799	2.6
208.99738	3.3
236.13695	3.0
342.13046	2.8
466.48633	3.6
510.57025	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	503.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.2
57.03444	6.5
58.00582	3.0
59.01380	73.9
60.60098	1.0
61.98826	2.0
65.51846	1.0
65.85256	0.9
69.03466	1.4
71.00156	2.2
71.01382	91.9
71.05032	1.0
72.01716	1.0
72.99303	4.5
73.02950	20.8
73.89234	0.9
75.00847	1.7
79.24691	0.9
83.01399	10.2
85.02950	37.6
86.00107	1.1
87.00874	4.6
89.02444	46.2
95.01391	8.3
99.00889	9.3
101.02444	64.7
102.02742	1.0
111.00893	5.4
113.02451	39.9
119.03507	20.4
120.03055	1.0
125.02458	2.6
130.08710	1.5
131.03461	2.3
135.04539	2.3
137.67819	0.9
141.01965	1.0
143.03508	6.3
149.04546	1.6
159.03017	6.4
161.04553	23.0
162.04889	1.1
179.05591	6.4
285.13464	1.1
341.22833	1.6
341.26974	14.3
355.24850	2.2
467.30350	1.8
473.30997	2.3
485.31345	1.2
502.30109	1.1
503.32281	100.0
504.32596	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	503.25
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.6
57.03451	3.2
58.00595	1.2
58.76461	0.2
59.01382	30.7
69.03468	0.8
71.01384	47.4
72.01726	0.5
72.99306	1.3
73.02948	14.2
73.77335	0.3
75.00877	1.3
81.03459	0.4
83.01392	7.5
84.02172	0.4
85.02953	22.8
86.03314	0.4
87.00877	2.7
89.02449	14.4
89.12097	0.3
90.02820	0.4
95.01399	3.9
97.02942	1.8
99.00889	7.9
99.04536	0.3
101.02447	38.9
102.02772	0.6
111.00896	0.8
113.02452	20.9
114.02814	0.4
119.03514	3.5
120.05783	0.4
125.02439	2.2
129.01953	0.9
131.03510	8.2
135.03001	1.9
135.11781	0.7
137.09694	0.3
143.03511	3.9
149.04605	1.6
159.02997	4.7
161.04559	29.6
161.09717	1.9
162.04973	0.9
166.35403	0.3
171.59572	0.3
176.62018	0.3
179.05612	1.0
179.10782	5.3
183.03017	0.9
191.05609	0.8
203.10710	0.3
205.03595	0.7
209.15468	7.0
210.15816	0.3
216.99406	0.3
223.09747	3.2
229.46045	0.4
233.06715	0.7
301.00095	0.4
341.12396	3.7
342.12885	0.5
371.20737	100.0
372.21054	9.1
372.25583	0.5
503.17715	1.3
503.24997	3.9
504.25354	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	503.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18519	0.4
55.01879	4.2
57.03453	4.0
58.00587	1.6
59.01380	37.6
63.85579	0.4
69.03443	1.5
69.19554	5.1
71.01381	55.7
72.99301	1.6
73.02946	20.3
75.00854	1.6
81.03451	0.8
83.01389	8.9
85.02953	23.7
86.03287	0.6
87.00889	3.6
87.01361	0.6
89.02447	22.9
95.01386	4.2
96.01659	0.5
97.02959	3.2
99.00266	1.0
99.00882	12.4
101.02443	43.5
102.02778	1.1
111.00872	1.0
113.02453	19.9
115.04002	2.2
119.03513	4.3
123.04488	0.7
125.02431	4.9
129.01929	1.2
131.03493	3.4
135.03049	0.8
137.09660	1.2
143.03516	2.7
143.93642	0.6
149.04565	4.9
149.05809	0.7
159.02972	2.9
161.04550	19.1
161.09669	0.8
179.05586	0.8
179.10782	1.8
181.12318	0.8
183.02974	0.6
191.05659	2.2
209.11801	0.5
209.15425	6.5
223.09778	1.0
225.11314	0.8
225.36740	0.5
233.06699	3.0
293.08871	2.7
341.12543	1.9
342.15546	0.5
371.20724	51.3
372.20944	4.5
503.25049	100.0
504.25381	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	503.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42141	0.4
57.03436	0.6
59.01378	100.0
59.29015	0.4
60.01716	0.9
60.71497	0.4
61.98834	0.6
69.26630	3.4
71.01395	3.7
73.02976	1.0
85.02943	2.0
89.02446	3.7
95.01394	0.5
99.00930	0.4
101.02424	2.1
113.02499	1.0
119.03531	0.5
125.02441	1.0
131.03516	1.0
131.23657	0.4
135.06679	1.2
135.11853	0.9
149.04576	1.0
157.64162	0.4
158.34001	0.4
161.04562	0.9
161.09802	0.9
169.01387	0.7
179.10777	2.5
183.03041	0.5
191.05583	0.7
209.11832	2.8
214.73250	0.4
279.11121	0.5
297.11960	2.3
365.85217	0.4
375.67123	0.4
503.20956	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65825	0.9
61.98817	1.4
71.50087	1.4
71.50484	1.5
78.95905	53.5
96.96969	3.1
103.07434	1.0
109.68252	0.9
143.08366	1.0
152.99583	53.5
171.00639	17.8
227.03214	2.2
231.21170	33.0
232.21584	2.8
244.73956	1.0
245.04311	100.0
245.89130	1.2
246.04710	2.4
275.20151	45.5
276.20532	3.8
503.24081	21.6
503.31702	2.1
504.24451	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	502.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.92786	0.3
69.97990	1.5
84.88036	0.3
100.57751	0.4
109.83197	0.3
162.67032	0.4
264.50446	0.4
324.50058	0.5
418.64853	0.4
516.22784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92297	0.7
61.98832	100.0
70.81543	1.4
73.32129	0.8
75.41515	0.7
79.44861	0.7
148.95354	0.7
169.64319	0.7
316.44897	1.0
323.96631	0.7
398.92633	0.8
525.72015	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	18.1
61.74043	2.1
61.98830	6.4
67.01907	3.1
68.98335	2.4
68.99820	7.3
69.03464	3.4
71.01395	17.6
71.50766	3.0
72.99319	3.0
73.02949	2.9
75.00869	3.7
78.95902	3.9
83.01398	6.7
85.02963	12.2
87.00877	5.4
89.02435	9.2
89.54548	1.8
90.99634	2.1
93.03454	2.5
95.01389	5.7
96.96045	8.9
96.96973	3.9
97.02956	4.0
99.00892	13.4
101.02464	8.3
107.01387	20.0
111.00890	7.6
112.01673	11.0
113.02451	13.3
113.99605	32.7
115.00401	14.8
119.05019	3.9
123.00916	10.4
124.01694	3.8
125.02462	76.1
126.02738	1.9
127.00388	9.4
127.04050	9.5
129.01944	8.0
129.91856	1.8
135.04539	23.1
137.02432	2.6
138.24194	1.9
139.00377	7.4
139.04044	14.4
140.01166	4.7
141.01999	2.4
151.00400	5.5
153.01947	3.0
156.00648	22.3
156.12321	2.2
157.01401	8.5
161.02457	9.8
163.04004	4.6
165.01923	2.6
168.00648	7.9
169.01442	100.0
174.01717	9.4
177.03925	1.9
179.03485	7.9
179.05582	5.1
183.02991	13.3
209.08228	2.6
211.02460	6.9
225.04160	2.1
241.03522	3.1
271.04642	18.1
277.05655	77.1
278.05933	3.6
313.05661	71.4
314.06290	2.0
319.06699	24.5
331.06610	5.2
337.07782	41.1
338.08215	2.6
341.08850	10.7
441.10397	66.7
442.10788	6.5
442.16577	2.0
443.08282	56.0
444.08505	6.4
446.81491	2.1
471.08096	3.2
485.09326	36.2
486.09766	6.2
503.09702	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
59.50160	0.1
59.51632	0.1
59.56736	0.1
61.98840	0.1
64.55457	0.1
70.64231	0.1
70.64607	0.2
71.01377	0.3
78.95910	7.2
82.17709	0.1
83.05022	0.2
86.52806	0.1
127.07626	0.2
131.67902	0.1
152.99611	0.7
162.16176	0.1
168.04309	1.9
205.19727	0.1
224.06963	1.3
233.22810	0.3
242.05502	0.2
242.07996	3.0
259.20688	0.5
275.20279	0.3
277.21729	100.0
278.22070	7.5
327.53296	0.1
502.29459	6.8
503.29688	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41437	1.0
59.45848	1.0
59.77188	1.0
61.98830	100.0
69.08813	1.1
69.61443	5.4
98.20558	2.1
105.23224	1.2
123.10776	1.2
125.29382	1.0
321.72748	1.3
429.74200	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	502.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24329	0.7
53.27986	0.7
61.98835	100.0
68.99918	0.7
71.07760	0.7
77.58501	0.6
93.07365	0.7
101.23961	0.7
149.09741	1.0
150.10062	0.7
163.11249	3.6
164.11687	1.9
168.50879	0.6
289.88290	0.7
335.94000	0.7
372.84451	0.8
427.73291	0.8
448.18710	0.7
502.34262	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	501.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01714	1.4
61.98833	18.8
71.01376	3.2
71.51099	0.4
71.51492	0.6
73.02953	1.0
83.01402	0.5
85.02953	0.8
89.02463	2.0
99.00886	0.5
101.02476	1.7
111.62446	0.5
113.02481	1.2
116.92923	0.7
119.03516	1.0
122.22341	0.4
123.00899	0.4
125.02509	0.8
161.04594	0.8
169.01428	0.6
183.03059	0.9
208.79463	0.4
348.29153	0.5
501.18359	0.6
501.31424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38111	0.7
61.98834	100.0
83.81009	0.7
84.06828	0.6
95.33383	0.6
100.74673	0.7
229.43784	1.0
229.47862	0.7
242.25549	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.5
56.16188	2.2
57.03424	2.7
59.01381	100.0
60.94596	2.5
61.98826	6.9
67.23031	2.3
71.01380	34.0
71.52411	3.0
73.02959	11.0
73.59874	2.2
75.16988	2.0
83.01389	4.1
85.02962	10.9
89.02445	30.5
95.01344	2.8
99.00862	3.1
101.02449	27.9
107.01331	3.2
113.02460	16.3
119.03503	12.9
123.00866	5.5
125.02451	11.3
130.05412	2.6
138.84715	2.4
143.03465	5.1
151.00325	2.9
161.04550	6.6
162.78503	2.2
163.28561	2.1
163.42479	2.3
168.00706	3.9
169.01404	11.2
173.04521	4.8
179.05568	2.9
179.10887	3.2
183.03046	18.8
292.94629	2.3
304.69373	2.5
335.04071	2.4
397.22122	10.6
415.23279	3.6
501.19830	17.8
501.30997	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	501.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95397	1.2
59.01392	11.1
61.98842	2.4
69.03499	1.5
69.51395	7.1
70.83568	1.3
71.01402	6.6
85.02951	2.8
87.00900	1.5
89.02452	4.5
91.34300	1.2
95.01381	2.4
98.68671	1.3
101.02440	2.5
104.65566	1.3
105.18352	1.4
107.01404	5.2
111.00865	1.9
112.74508	1.2
113.02428	1.4
123.00900	17.2
124.01672	1.6
125.02463	23.1
139.00346	4.5
140.01163	4.1
141.01872	1.6
147.04535	18.2
149.99536	1.8
151.00357	11.3
168.00668	10.7
169.01422	29.5
170.01724	1.6
179.03378	1.4
191.05630	2.4
211.02480	7.4
264.99805	1.4
271.04651	8.1
272.04968	1.5
313.05722	2.0
501.12961	6.0
501.19803	100.0
502.20181	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	501.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75101	0.2
55.01883	0.3
56.79654	0.3
57.03434	0.2
59.01381	6.3
61.98819	0.3
67.01880	0.9
68.99805	0.3
69.03448	0.3
69.37160	2.3
71.01387	6.1
72.99309	0.6
73.02945	1.0
79.01891	1.0
83.01384	1.2
85.02956	2.5
87.00861	0.6
89.02438	2.3
93.18021	0.3
95.01409	2.1
96.04374	0.2
97.02944	0.8
98.19794	0.4
99.00875	0.3
101.02440	3.6
107.00722	0.4
107.01396	5.2
108.01686	0.3
109.02868	0.3
111.00879	2.6
112.43460	0.3
113.02468	2.5
119.03519	0.8
123.00890	14.0
124.01636	1.2
125.02452	19.6
126.02810	0.3
127.00371	0.8
136.98810	1.8
139.00378	5.3
140.01154	3.8
141.01961	1.5
141.09204	1.2
143.04608	0.4
151.00375	10.6
151.01590	0.6
151.03957	0.3
153.01872	0.7
163.04039	0.5
165.01849	0.4
168.00658	5.0
169.01428	29.1
170.01775	0.9
179.10768	0.3
181.04984	0.3
183.02969	0.3
211.02492	4.9
253.03423	0.5
271.04608	5.0
272.05057	0.3
297.06152	0.8
306.07666	0.9
313.05624	2.3
338.24686	0.3
457.20801	0.4
501.19772	100.0
502.20120	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	501.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49221	0.4
53.64088	0.3
59.01378	5.8
61.98830	1.1
67.01888	1.0
69.14143	0.4
69.40804	0.8
69.41212	2.6
71.01392	3.6
72.99310	0.6
73.02965	0.4
79.01888	0.9
81.03445	0.4
83.01392	0.6
85.02949	1.9
89.02457	1.6
93.03473	1.0
95.01408	1.8
97.02959	0.7
98.19907	0.8
101.02440	1.6
107.01382	3.7
109.02946	0.4
110.00106	0.5
111.00894	2.0
113.02464	1.3
119.03526	0.7
119.05094	0.3
123.00889	12.4
124.01664	1.4
125.02452	17.7
126.02779	0.6
127.00416	1.0
136.98828	1.5
137.02428	0.7
139.00392	4.7
140.01181	3.6
141.01952	1.0
151.00371	9.0
153.01988	1.0
163.04024	0.4
165.05826	0.4
168.00641	4.8
168.41328	0.4
169.01414	25.4
170.01692	0.9
177.04099	0.5
191.05620	8.6
191.07382	0.5
211.00481	0.6
211.02469	8.2
271.04602	8.4
272.04880	0.6
313.05615	1.1
327.08780	1.9
331.06882	0.6
349.15070	0.7
394.05368	0.4
457.17166	0.9
468.50903	0.4
501.19833	100.0
502.20181	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	501.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.5
57.31678	0.4
59.01380	6.3
60.91669	0.4
61.98825	0.8
65.13289	0.4
67.01885	0.9
69.03461	0.8
71.01382	3.9
71.51363	0.6
72.99328	0.6
73.02964	0.9
78.74314	0.4
79.01897	1.2
79.86678	0.4
83.01373	1.1
85.02946	1.7
87.00882	0.4
89.02436	1.9
95.01395	2.0
97.02947	0.7
101.02454	2.6
107.01406	4.0
110.00081	0.7
111.00899	1.8
112.94988	0.4
113.02456	1.6
119.03535	0.7
123.00892	15.3
124.01713	1.9
125.02451	21.0
126.02760	0.8
127.00366	1.2
136.98817	1.4
137.02415	0.9
139.00368	5.1
140.01189	3.6
141.01917	1.4
147.04512	1.7
149.99577	1.5
151.00374	9.3
151.03847	0.4
153.01932	1.2
163.03963	0.6
165.01924	0.4
167.03487	0.5
167.88289	0.4
168.00648	6.6
169.01425	25.5
170.01741	1.2
179.03474	0.7
191.05609	0.8
204.25656	0.5
208.65767	0.4
211.02478	5.5
241.03769	0.4
253.03581	0.5
271.04559	6.5
309.07504	0.5
313.05591	2.0
339.42896	0.4
357.42249	0.4
501.13095	4.7
501.19760	100.0
502.13998	0.4
502.20099	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	501.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	1.9
59.01381	7.1
61.98825	1.2
62.89045	0.6
62.89485	0.7
67.01878	2.0
69.03424	0.9
69.40327	5.7
71.01378	5.5
73.02933	0.8
79.01891	1.2
85.02961	5.0
87.00877	2.2
89.02448	1.7
93.03458	9.3
95.01396	1.5
96.99305	0.9
98.19934	1.5
101.02461	2.7
101.79153	0.7
107.01400	2.9
108.02180	0.7
109.02927	1.0
111.00868	2.1
113.02443	1.0
119.05021	2.8
123.00874	10.5
124.01665	1.9
125.02454	16.6
128.03566	0.9
131.05035	0.9
135.00919	0.9
137.02484	0.9
139.00377	3.4
140.01163	2.3
141.01974	0.8
143.05000	3.5
147.04552	2.9
151.00380	7.9
153.01952	1.0
163.03998	2.8
164.07130	10.0
168.00681	4.4
169.01411	23.1
170.01819	0.8
173.04507	3.7
181.05115	1.0
191.05603	26.3
206.08234	17.7
207.08543	1.0
211.02502	14.5
211.07616	0.9
235.07736	1.3
235.88524	0.7
237.09131	1.2
241.03481	1.0
265.08670	5.3
271.04581	16.8
272.04880	1.3
313.05621	1.8
327.08719	24.1
328.09262	1.7
349.14990	1.6
483.15112	1.0
501.19846	100.0
502.13492	1.4
502.20081	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	501.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36495	0.9
59.01384	10.7
64.37328	1.2
69.69434	6.0
71.01384	26.4
73.02960	2.0
78.65285	1.1
83.01394	1.5
85.02941	2.8
87.00885	1.2
89.02449	8.2
95.01389	1.1
101.02425	5.1
113.02450	7.9
115.00375	14.9
119.03513	3.1
123.04475	1.1
125.02451	1.7
125.06127	1.6
133.01393	1.2
133.10254	1.6
135.11813	14.3
140.30096	0.9
143.03540	1.8
144.48842	1.0
145.70392	1.1
146.07330	1.4
149.04507	1.8
159.08151	1.4
159.11766	1.6
161.04562	2.9
161.09702	8.0
168.00644	1.2
175.11479	1.0
177.12794	2.6
179.05562	2.3
179.10774	78.0
180.11116	4.0
183.03006	7.2
191.05550	1.7
203.10774	7.1
205.08684	1.7
221.11746	3.5
223.09746	100.0
224.10056	4.5
229.01305	1.6
245.00887	1.9
265.10800	6.5
273.00345	2.8
295.11752	1.6
325.12845	2.2
339.10828	1.4
385.15002	28.1
386.15268	2.2
501.19257	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	501.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01382	11.6
61.98835	1.6
69.25587	7.6
70.35023	1.0
71.01384	16.9
73.02944	2.7
75.00865	1.1
83.01382	1.4
84.31802	0.9
85.02959	2.3
88.81344	1.1
89.02435	5.7
96.96004	1.0
97.02963	1.3
101.02420	5.4
106.37216	1.1
107.01364	1.0
111.00816	0.9
111.04516	1.0
113.02438	5.1
115.00388	10.7
119.03497	2.6
123.00866	1.5
123.04411	1.2
125.02458	5.8
128.90147	3.2
133.01424	2.6
133.10222	1.9
135.11797	12.2
139.00346	1.2
140.01122	1.8
145.02922	2.0
161.02420	1.0
161.04532	1.1
161.09712	6.0
163.11240	1.3
168.00682	2.7
169.01407	6.5
173.02380	1.6
179.10779	70.0
179.47218	1.1
180.11108	3.6
183.02974	23.3
189.01942	2.1
195.34988	1.0
201.01865	2.4
203.10776	2.4
205.08614	1.0
207.13910	1.9
217.01436	2.4
219.03152	1.2
223.09752	100.0
224.10121	4.6
229.01393	4.2
245.00958	3.3
257.50226	1.0
265.10791	1.7
273.00430	14.1
285.38644	1.0
326.34113	1.0
353.38544	1.0
385.15106	23.3
386.15436	2.2
440.39856	1.1
501.19696	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	501.162
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40012	1.0
59.01383	14.2
60.66377	0.9
63.79019	1.0
66.74404	1.0
69.19283	5.2
69.19706	4.1
71.01385	30.5
71.45812	0.8
72.01721	1.0
72.99286	1.2
73.02948	2.4
77.88441	1.1
83.04984	1.1
85.02957	3.9
87.00875	1.4
89.02452	8.7
95.01369	1.8
97.02967	1.4
99.00866	1.8
99.04545	1.4
101.02451	7.1
109.02889	1.1
111.04507	1.3
113.02443	9.7
115.00388	15.1
119.03508	2.5
123.00886	1.0
124.31425	1.0
125.02464	2.0
132.35782	1.0
133.01447	2.0
133.10236	2.3
135.11813	13.6
139.00348	1.4
146.07474	1.1
149.04674	2.2
152.01123	1.5
153.05548	1.5
159.08159	2.1
159.11760	2.8
161.04556	2.9
161.09724	12.9
162.85738	1.1
169.01472	2.6
177.12848	2.0
179.10783	92.4
180.11115	4.4
183.02995	9.0
191.05655	2.2
200.86588	0.9
201.01878	1.4
203.10776	7.7
205.08685	1.6
210.12563	1.1
217.01462	1.5
221.11749	6.8
223.09761	100.0
224.10098	5.7
245.00919	1.1
251.12828	1.2
265.10825	6.8
273.00366	3.5
291.38193	1.0
325.12930	2.5
383.18939	1.1
385.15054	28.9
386.15347	2.6
501.19647	4.2
502.19305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.9
61.98828	2.8
65.50960	0.6
68.55119	0.5
71.01376	3.9
71.51556	0.5
71.51939	0.5
71.61942	0.5
73.02934	1.1
76.48037	0.5
79.86415	0.5
85.02963	1.5
89.02444	2.0
93.03452	1.9
101.02427	2.0
107.01413	0.7
111.00875	0.7
111.04516	1.5
111.94215	0.5
113.02480	1.2
117.03506	1.1
119.05028	97.4
120.05363	3.8
120.51321	0.5
121.02963	0.9
123.00881	2.3
123.08145	0.7
125.02452	3.9
131.03476	0.8
132.02151	6.9
133.02946	1.8
134.03748	7.4
135.04483	0.9
137.02460	1.4
139.00351	0.9
139.03996	0.6
139.07649	0.9
140.01132	0.8
145.02919	1.1
149.06078	2.0
151.00365	1.5
152.04779	1.1
160.01657	32.1
161.02496	3.6
161.04523	1.1
163.04008	100.0
164.04366	3.9
167.07135	8.4
168.00671	1.0
169.01422	6.9
171.10278	2.0
175.03998	30.8
176.04375	1.8
177.05565	2.5
178.02736	1.3
179.03468	0.8
179.10768	0.9
183.02953	2.4
193.05061	8.2
211.02464	3.2
221.04428	0.8
233.75343	0.5
271.04544	6.8
295.19156	1.1
309.13391	1.3
321.17007	1.0
323.07858	4.8
337.09256	31.0
338.09708	2.3
339.18112	13.7
402.19412	0.5
402.26865	0.6
433.29477	0.6
501.13718	10.6
501.20016	19.6
502.13943	1.3
502.20526	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	501.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19519	0.3
54.36714	0.3
58.00608	0.4
59.01380	14.9
61.98831	2.3
70.26352	0.3
71.01385	5.9
71.52100	0.4
71.52502	0.6
72.99319	0.7
73.02950	0.6
83.01388	0.7
85.02950	1.5
87.00890	0.8
89.02448	5.0
95.01375	0.9
96.96047	0.6
98.95624	0.5
99.00884	0.9
99.92584	11.5
100.93379	1.1
101.02444	3.7
103.00378	0.7
113.02445	3.2
115.90851	0.5
115.92081	23.7
116.92862	100.0
117.92872	4.1
117.93648	0.4
119.03498	1.4
125.02475	0.9
131.03506	0.4
140.92863	0.7
141.93629	0.8
142.94440	0.8
143.03490	0.5
156.92325	0.4
158.93953	0.6
161.04561	1.3
179.05692	0.5
183.02951	0.3
183.94705	0.4
184.91827	1.3
186.93373	0.4
191.05569	1.1
209.96791	0.4
259.96552	0.4
321.15555	0.5
327.22098	0.4
339.25360	0.5
379.08719	0.7
397.09592	3.1
398.10107	0.6
413.00879	0.4
415.10620	2.1
427.09988	0.8
439.10358	1.4
453.33826	0.4
457.11731	5.6
458.11691	0.7
465.08459	1.4
483.09326	0.4
501.10629	17.0
501.23090	1.4
501.30191	1.6
502.10953	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	500.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26952	0.8
61.98830	100.0
69.45004	4.4
69.45409	1.7
80.78515	1.1
92.89923	0.8
98.20630	1.8
188.45494	0.8
273.71939	0.8
527.44220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61491	0.4
57.00398	0.5
60.13374	0.4
61.98831	100.0
62.61208	0.4
69.45337	3.2
85.25432	0.4
87.23525	0.4
95.13393	0.5
129.19153	0.4
169.10275	0.5
197.85576	0.5
211.06696	0.4
243.32791	0.4
458.32559	0.5
463.85507	0.6
485.92996	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63005	0.4
59.01378	75.0
60.01727	0.9
61.98829	0.7
64.98835	0.5
69.33422	1.1
69.33829	2.5
90.97128	0.9
93.95107	0.4
118.96639	0.5
122.55239	0.4
132.98195	1.2
157.03531	3.7
159.01526	1.3
174.99246	21.2
187.80521	0.4
192.96194	0.4
201.02545	32.0
202.02686	1.9
217.00287	100.0
218.00591	3.0
343.03693	2.8
359.01465	58.7
360.01703	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	500.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	27.2
59.71260	0.4
61.98830	100.0
71.01395	1.7
71.78580	0.4
73.02935	0.6
85.02953	0.6
89.02454	1.2
101.02462	0.9
113.02496	1.1
119.03537	0.7
125.02520	0.5
158.24200	0.4
169.01503	0.5
179.44208	0.4
229.11331	0.6
339.25159	0.5
390.29526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.4
59.01376	11.5
60.01708	0.4
61.98830	100.0
69.40709	2.9
71.01386	3.3
73.02968	0.9
76.62856	0.4
79.71582	0.4
84.03840	0.5
85.02977	0.8
87.00944	0.4
89.02451	2.1
93.25709	0.5
95.01404	0.4
101.02470	1.6
108.50614	0.4
113.02462	1.1
115.92133	0.7
116.92864	4.0
117.28349	0.4
119.03521	0.9
120.27216	0.4
125.02442	0.8
127.48975	0.4
135.36409	0.4
143.03516	0.6
161.04575	0.5
169.01439	0.6
179.05606	0.8
190.20891	0.4
195.78024	0.4
228.39349	0.4
238.53249	0.4
249.86620	0.4
308.41254	0.5
500.29352	0.8
501.10794	0.8
501.23422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.7
61.98824	16.6
68.53091	1.7
71.01378	8.8
71.51941	2.1
71.52293	1.9
78.95910	4.8
82.53699	2.0
85.02930	5.1
89.02432	7.4
93.03455	10.8
95.01394	2.7
101.02440	2.8
107.01377	5.4
108.02177	2.1
109.02943	2.4
110.09826	1.9
111.00881	3.8
113.02432	3.3
113.88190	1.7
115.00365	1.7
123.00850	10.8
125.02438	40.1
126.02755	2.2
128.03506	5.2
135.04416	2.3
136.98729	2.8
137.02437	24.1
138.03172	1.8
139.00346	6.5
140.01141	4.8
141.52124	2.5
151.00359	6.9
152.99590	9.2
154.78618	1.7
163.37341	1.7
167.03506	2.4
168.00642	23.0
169.01418	63.5
170.01724	4.0
191.05612	3.9
191.07172	2.5
209.08165	2.5
211.02463	73.9
212.02800	2.6
241.03702	2.6
271.04572	100.0
272.04977	4.5
292.15329	1.8
300.99896	3.5
313.05688	2.5
326.99704	2.7
331.06677	16.1
436.42310	1.8
437.10852	92.1
438.11276	12.2
482.62073	2.1
499.18250	4.1
500.06122	2.9
500.18600	34.1
501.04669	6.3
501.12479	2.5
501.19864	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76780	0.4
55.55853	0.3
59.01382	12.6
60.01724	0.4
61.98830	100.0
71.01376	2.2
71.51694	0.6
76.43536	0.4
77.88580	0.3
78.91215	0.3
82.32710	0.3
85.02962	0.9
89.02451	1.0
101.02477	1.6
113.02460	0.8
119.03535	0.9
125.02430	0.6
283.29984	0.4
308.20477	0.4
317.45142	0.4
344.58691	0.4
350.65375	0.4
392.86246	0.4
464.19589	0.4
501.31021	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20140	1.4
55.75342	1.5
58.41297	1.3
59.01373	8.0
61.98834	8.6
67.01885	1.5
71.01384	7.1
78.10858	1.4
85.02941	3.9
87.00881	2.2
88.01707	1.3
89.02464	2.3
93.03442	2.7
95.01392	2.3
101.02425	3.3
107.01400	5.5
111.00854	2.8
113.02435	3.3
121.02978	8.5
123.00877	19.4
123.04518	12.6
125.02448	41.7
126.02776	4.4
136.98813	2.1
139.00375	7.1
140.01207	2.8
141.01909	1.8
147.88193	1.5
151.00365	14.6
152.00720	2.6
153.01970	2.1
162.78650	1.5
168.00606	5.7
169.01424	62.8
170.01770	7.4
191.04170	1.4
191.05638	10.4
211.02457	5.2
271.04514	3.5
272.05139	1.8
313.05634	14.7
315.92978	1.5
327.08719	2.7
437.10873	84.7
438.11176	7.8
473.35529	1.6
499.18274	21.0
500.18567	100.0
501.19305	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	499.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77390	0.7
52.11947	0.7
59.01381	100.0
61.98840	2.7
71.01384	4.5
71.51190	0.9
73.02964	2.8
73.71893	0.7
83.01398	0.9
85.02955	1.1
89.02457	2.3
91.34763	0.8
101.02440	4.8
113.02464	2.4
119.03477	1.1
125.02485	1.1
161.04568	2.3
233.02988	0.8
245.98750	0.7
255.26898	0.8
374.46161	0.8
452.17615	0.8
499.29776	1.6
513.32819	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	27.1
61.98837	21.7
71.01382	18.2
71.52091	2.4
73.02949	4.9
79.01908	2.7
83.01402	2.1
85.02947	10.4
89.02440	8.5
95.01378	5.0
99.87133	2.3
101.02435	11.7
107.01389	4.2
112.93396	2.2
113.02451	6.2
119.03505	3.8
123.00901	12.1
125.02457	21.3
133.02933	3.9
134.03723	13.1
135.04523	3.2
136.05292	41.8
137.02426	3.8
139.00365	4.6
141.01976	2.4
147.04488	3.2
149.06065	10.8
150.06833	5.4
151.00352	4.2
160.01640	3.4
160.76465	2.7
161.02388	3.0
161.04517	2.8
164.08426	2.5
165.09207	50.4
169.01460	19.7
171.10258	16.0
175.03996	4.3
176.04758	4.2
177.01944	3.6
191.07121	9.4
193.05023	15.5
207.06557	6.4
211.02496	3.4
235.06125	23.0
265.07153	5.5
271.04459	3.8
295.08194	5.0
301.18127	2.9
319.19205	10.4
323.13382	4.0
336.19467	2.9
337.16568	1.6
337.20206	46.0
338.20496	4.4
347.17010	17.3
351.84631	2.3
463.21799	6.1
499.18225	100.0
499.25500	39.9
500.18378	10.5
500.25552	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	499.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01106	0.1
59.01380	1.2
61.98835	0.4
69.03426	0.1
69.24001	0.7
70.24857	0.1
71.01389	1.2
73.02946	0.2
77.03979	0.2
83.01385	0.1
83.05023	0.2
85.02953	0.3
87.00899	0.1
89.02431	1.0
93.03497	0.5
94.88866	0.1
97.03037	0.1
101.02438	0.7
108.02211	0.2
109.02979	0.1
113.02457	0.3
119.03488	0.2
121.02959	100.0
122.03288	2.6
123.00859	0.1
123.04466	0.1
124.01678	0.2
125.02470	0.7
131.03503	0.6
135.04532	0.1
136.05305	0.8
137.02516	0.1
137.70396	0.1
138.01985	0.1
149.04538	0.2
149.06070	0.2
150.06848	0.4
161.04532	0.2
165.09206	0.9
168.00655	0.3
169.01408	0.5
171.10226	0.3
179.10764	0.1
191.05574	0.1
211.02417	0.1
217.01364	0.1
234.77933	0.1
245.00896	0.2
245.10307	0.3
290.89166	0.1
293.08762	0.2
319.19165	0.1
322.17679	0.1
337.20245	1.0
347.17227	0.1
377.14285	0.1
385.71915	0.1
463.21338	0.1
499.17987	1.4
499.25528	1.2
500.18646	0.2
500.25732	0.2
505.82001	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.1
59.01384	1.3
60.76693	0.1
61.98837	0.5
64.08109	0.1
70.99570	0.2
71.01382	1.1
73.02954	0.2
77.03984	0.3
79.42506	0.1
83.01395	0.1
83.05035	0.2
85.02972	0.3
87.00923	0.1
89.02457	0.9
93.03458	0.5
93.77259	0.1
95.01386	0.1
99.00880	0.2
101.02446	0.6
107.01412	0.1
108.02217	0.2
108.13905	0.1
111.00809	0.1
113.02459	0.4
119.03504	0.2
121.02962	100.0
122.03297	3.0
123.00860	0.2
125.02459	0.6
131.03523	0.6
136.05286	0.8
139.00371	0.1
149.04596	0.3
149.06099	0.2
150.06885	0.3
151.00346	0.1
161.04558	0.2
161.09747	0.1
165.09193	0.7
168.00665	0.2
169.01399	0.4
171.10341	0.3
179.10794	0.2
191.05641	0.1
211.02426	0.2
217.01405	0.2
245.00919	0.3
245.10374	0.2
246.01675	0.1
247.02533	0.1
293.08817	0.2
293.12195	0.1
319.19098	0.1
337.20251	1.0
338.20706	0.1
347.17230	0.1
377.14542	0.2
499.18225	1.2
499.25607	0.9
500.26282	0.1
518.62842	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.182
Annotation	Rolapitant
Peak:m/z	Relative Intensity
55.01874	0.6
59.01382	5.0
61.98829	0.7
65.09888	0.5
67.01904	0.9
68.99844	0.4
69.38071	1.8
69.38491	1.9
71.01383	3.2
72.99315	0.5
73.02976	0.8
75.96503	0.5
78.91888	0.9
79.01889	0.9
82.83881	0.4
83.01389	1.1
85.02956	1.8
89.02449	0.9
90.93401	0.4
93.03457	0.5
95.01388	2.0
96.96015	0.9
96.96980	0.5
97.02936	0.6
98.19869	0.5
99.00884	0.7
101.02447	2.3
101.87243	0.4
104.15800	0.5
107.01398	3.6
111.00878	1.9
113.02465	1.8
114.48486	0.4
115.89176	0.4
119.03568	0.5
123.00887	15.7
124.01672	1.3
125.02452	13.9
127.00383	0.8
130.06786	0.4
136.98804	0.7
139.00371	5.1
140.01170	2.6
140.58698	0.5
141.01918	1.5
151.00366	10.6
163.03978	0.6
168.00607	3.6
169.01419	21.1
170.01797	0.9
179.03384	0.5
181.05083	0.6
211.02499	1.9
231.09230	0.6
253.03540	0.4
271.04581	1.6
313.05704	2.8
481.06033	0.5
499.18231	100.0
500.18610	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	499.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
59.01380	4.3
63.45292	0.3
67.01893	0.7
68.37235	0.3
69.03480	0.4
69.46243	2.3
71.01377	3.9
72.99310	0.5
73.02944	1.2
78.95896	1.1
79.01897	0.9
82.00655	0.4
83.01380	1.1
85.02947	1.2
87.00906	0.8
89.02445	1.4
92.73009	0.3
95.01403	1.6
96.96024	3.6
96.96970	1.5
97.02962	0.5
98.19910	0.7
99.00829	0.4
101.02428	2.3
101.85189	0.3
107.01395	3.3
111.00899	1.6
113.02436	1.4
119.03494	0.4
120.87022	0.3
121.03000	0.4
123.00887	11.8
124.01649	1.2
125.02454	15.6
126.02797	0.5
127.00372	0.7
136.98817	1.2
137.02394	0.4
139.00363	5.5
140.01155	2.3
141.01913	1.2
151.00369	10.8
152.00670	0.5
153.01953	0.7
154.99893	0.7
163.02684	0.3
163.03975	0.5
166.05077	0.4
168.00661	3.1
169.01425	25.1
170.01758	1.2
181.04991	0.5
191.05524	0.5
211.02515	3.3
223.02495	0.4
253.03433	0.5
271.04584	5.4
313.05685	2.5
499.18246	100.0
500.18622	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	499.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13377	0.4
59.01388	4.5
60.93534	0.4
61.98833	1.3
64.77953	0.4
67.01894	1.0
67.04013	0.4
69.40688	0.4
69.77922	2.6
71.01387	3.5
72.99284	0.4
73.02946	1.1
79.01911	0.8
82.84946	0.4
83.01372	0.5
84.71970	0.4
85.02943	1.3
89.02455	2.1
93.03474	0.6
95.01372	2.2
97.02937	0.5
98.20543	0.7
101.02444	2.3
107.01399	4.8
109.02950	0.5
111.00877	1.6
113.02431	1.1
119.03516	0.5
121.02937	1.6
123.00900	12.5
123.04512	2.1
124.01678	1.9
125.02454	18.2
126.02757	0.5
136.98793	0.8
137.02483	0.6
139.00377	4.4
140.01192	2.0
141.01932	1.6
151.00368	11.2
168.00607	3.6
169.01430	27.3
170.01765	0.6
179.03505	0.6
195.03372	0.5
211.02499	4.0
228.98904	0.5
241.03406	0.6
253.03499	0.7
271.04532	6.0
291.29425	0.5
300.81726	0.4
313.05716	4.0
437.10925	12.7
466.23773	0.4
499.18240	100.0
500.18567	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	499.1817
Annotation	Rolapitant
Peak:m/z	Relative Intensity
54.67886	0.4
55.01866	0.7
58.00578	0.4
59.01376	5.6
67.01891	1.0
68.58985	0.3
68.99802	0.4
69.23914	0.7
69.24328	2.7
71.01382	4.6
73.02949	1.3
79.01911	0.6
81.03455	0.5
83.01392	1.2
85.02933	2.0
87.00874	0.5
89.02447	1.8
93.03483	0.4
95.01380	1.8
97.02921	0.8
98.20609	0.7
98.27708	0.4
101.02441	3.2
107.01377	3.7
108.02165	1.1
109.02940	0.7
111.00887	1.6
113.02438	1.7
119.03473	0.4
123.00884	11.8
124.01660	1.0
125.01521	0.8
125.02444	15.2
126.02813	0.5
126.03687	0.4
127.00379	0.9
136.98801	0.8
139.00366	5.0
140.01190	2.4
141.01945	1.7
147.43330	0.4
151.00372	9.7
152.01080	0.6
153.01881	0.4
168.00632	3.2
169.01419	23.0
170.01772	0.5
179.03362	0.6
185.11882	0.5
209.11838	0.4
211.02475	3.5
215.05305	0.4
223.02467	0.5
241.03568	0.4
253.03540	0.7
271.04565	5.7
300.99826	0.6
313.05792	2.0
439.21558	0.6
499.18219	100.0
500.18539	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	499.1458
Annotation	kn-93
Peak:m/z	Relative Intensity
50.16298	0.5
53.03738	0.5
59.01373	1.7
60.99312	3.5
64.58171	0.6
67.01529	0.7
67.01892	10.7
69.03465	2.8
71.01382	3.9
73.53702	0.5
81.03467	1.9
83.05029	2.0
84.54850	0.6
85.02967	3.8
87.00874	14.8
89.00229	0.5
93.03461	78.9
94.03795	1.9
97.02985	0.6
99.00878	1.5
99.04524	1.0
101.02460	0.8
109.02936	1.1
111.04527	11.6
113.02433	0.7
117.03493	0.6
119.05035	35.6
120.05373	0.7
127.04063	1.0
129.01945	1.8
137.02408	0.6
145.02968	2.4
155.03494	2.8
163.04012	23.7
164.04384	0.9
173.04550	21.5
174.04893	1.0
191.05615	89.2
192.05934	2.7
208.64658	0.6
229.34906	0.6
294.27725	0.7
337.09268	13.4
338.09424	1.0
379.10068	1.4
499.14554	100.0
500.14868	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	498.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.9
61.98829	100.0
69.38320	0.8
69.38724	2.2
71.01391	0.8
101.02469	0.5
119.73122	0.4
212.96167	0.3
213.77531	0.4
305.20020	0.6
306.20126	1.3
347.31009	0.4
438.23914	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.1
59.01381	2.8
61.98830	1.3
67.01888	3.4
69.03458	1.4
70.76851	0.5
71.01385	4.9
71.50452	0.5
72.28198	0.4
73.02920	0.5
80.50367	0.5
81.03462	0.8
83.01402	0.8
83.05022	1.5
85.02953	1.3
87.00886	1.1
87.67888	0.5
89.02461	1.2
93.03461	25.6
94.03814	1.0
95.01373	0.8
96.96017	0.6
97.02925	0.7
101.02435	1.2
107.01402	1.1
109.02969	1.2
111.00880	1.5
111.04527	5.0
113.02442	1.2
119.05032	28.5
120.05337	0.5
122.06148	0.7
123.00890	2.1
125.02457	3.5
126.02770	0.5
126.11721	0.5
127.14841	0.5
137.02454	4.1
139.00371	1.4
149.06059	0.8
151.00369	1.6
155.03503	4.1
163.04012	27.1
164.04272	1.1
168.00662	0.5
169.01404	4.1
173.04553	100.0
174.04936	3.6
177.10368	0.7
191.05556	3.6
201.10291	0.7
204.89093	0.4
211.02499	1.2
219.02925	0.6
219.49619	0.5
229.09816	0.7
241.06186	0.5
259.11002	0.6
271.04623	1.2
271.10837	1.7
277.11945	1.8
283.10901	0.8
289.11761	0.5
300.11160	0.6
300.99954	0.8
301.11996	1.6
319.13248	0.6
321.43948	0.6
325.09167	3.2
331.06723	0.6
337.05655	0.7
337.09216	1.1
337.14908	0.7
433.16397	0.8
459.67062	0.5
463.17453	2.0
481.18326	1.6
487.14038	0.6
499.13446	3.9
499.18817	11.6
500.19174	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38015	0.4
54.48431	0.5
58.63699	0.4
59.01381	9.8
61.98830	100.0
69.37821	2.2
69.38249	1.5
71.01381	2.4
78.95856	0.5
85.02956	1.0
88.46438	0.4
89.02454	1.9
96.91080	0.5
101.02451	1.8
113.02480	1.1
115.92090	0.9
116.92156	0.8
116.92877	4.3
117.92902	2.0
125.42613	0.5
169.01480	1.0
261.81989	0.5
291.18311	0.6
292.18555	1.0
320.27106	0.5
336.19019	2.1
337.19894	0.5
438.24271	1.7
499.21692	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43685	0.5
61.98833	100.0
64.54021	0.5
71.01398	0.5
93.03518	0.6
137.65230	0.4
160.04088	0.6
166.05165	0.6
169.01485	1.2
498.13300	1.6
499.18668	1.2
505.25046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25816	0.2
59.01384	0.7
59.76476	0.2
60.01081	0.3
61.98830	100.0
62.10064	0.2
65.73524	0.3
69.18410	1.7
69.18829	0.9
71.01373	0.6
81.03461	0.6
83.01400	0.4
89.02424	0.3
93.03455	0.7
94.87350	0.3
101.00723	0.2
101.02416	0.4
107.01370	0.4
119.05039	0.7
123.00890	0.4
123.04536	1.6
125.02435	2.4
141.54213	0.3
149.02425	0.2
151.00410	0.4
167.03490	6.4
168.00688	0.4
169.01385	1.8
175.28743	0.3
179.03542	0.6
191.64569	0.3
211.02530	0.3
214.53331	0.3
240.11313	0.3
273.07687	9.9
274.08200	0.7
435.12936	1.6
452.57028	0.3
498.17303	0.7
499.18195	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	498.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76385	1.0
59.01378	6.7
60.53852	1.0
61.98832	19.7
66.13281	1.0
71.01380	8.2
71.51434	1.1
71.51799	1.3
73.02943	2.5
78.43242	1.1
83.62907	1.1
84.86904	1.0
85.02954	3.0
89.02435	3.3
95.01385	3.0
101.02441	4.0
107.01376	4.4
108.02195	0.9
110.27870	0.8
111.00867	4.4
113.02443	2.4
119.03474	1.3
123.00893	15.1
124.01701	1.5
125.02457	17.6
126.02772	1.2
133.83293	0.9
136.98790	1.8
137.02455	1.5
139.00395	5.9
140.01117	2.8
141.02017	1.6
151.00372	12.8
153.01978	1.8
167.10811	2.5
168.00671	5.7
169.01431	24.2
169.02821	1.9
170.01791	2.3
185.11966	1.6
211.02467	1.5
234.28780	1.2
255.97691	1.1
271.04587	1.6
313.05688	3.1
335.18549	1.3
346.15793	1.8
347.17123	9.0
410.57785	1.0
422.80368	1.0
435.12973	100.0
436.13223	11.2
498.16833	15.2
499.18207	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.8
57.49653	0.7
59.01377	8.6
60.24833	0.6
60.25291	0.7
61.98814	2.3
64.72885	0.8
67.01881	0.8
69.03445	1.8
69.15997	7.8
71.01383	6.9
72.99319	1.0
73.02946	3.4
74.68491	0.7
79.01898	2.1
83.01399	5.0
83.83403	0.7
84.04540	1.6
85.02943	2.2
87.00862	0.8
89.02437	2.0
93.84643	0.7
94.02993	1.5
95.01391	3.7
96.96017	1.7
96.96963	1.9
97.01720	1.0
97.02943	1.8
100.89161	0.8
101.02415	3.9
107.01391	8.6
109.02955	1.1
110.02484	2.4
111.00902	1.7
112.04049	25.7
113.02457	4.4
117.31345	0.7
121.02947	0.9
121.06544	0.6
122.06110	2.3
123.00879	20.1
124.01657	1.6
124.04043	23.8
125.02449	45.7
126.02781	1.0
137.02434	0.9
139.00394	5.9
140.01201	2.1
140.07158	6.6
141.01936	1.8
143.19098	0.7
149.99602	0.8
151.00362	12.8
153.01927	1.8
161.04596	0.8
164.07159	2.2
166.05089	57.6
166.99902	0.9
167.03471	1.6
167.05452	2.0
168.00650	5.5
169.01421	71.3
170.01775	2.1
180.06714	1.7
183.03140	1.5
184.06145	42.7
185.06352	1.2
193.01418	2.1
198.07722	1.8
208.06094	5.1
211.02458	9.6
212.02708	1.1
219.40511	0.7
226.07156	13.2
249.08516	0.7
256.08228	5.4
271.04517	2.4
286.09308	12.3
308.09079	0.8
308.33698	0.8
313.05743	6.0
331.06619	9.5
346.11411	2.8
372.16794	0.7
399.55283	0.7
429.63284	0.9
438.10388	1.7
438.86487	0.8
480.10907	0.8
492.15942	0.7
497.25903	1.1
498.12534	100.0
499.12643	7.8
499.18280	14.3
502.50275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16874	0.7
51.59294	0.7
59.01382	3.4
61.81067	0.6
61.98832	2.6
69.03448	2.7
69.55410	4.4
71.01381	2.0
79.01880	1.4
80.07631	0.7
80.91673	1.0
81.03473	1.6
82.90939	0.7
83.01395	1.9
84.16496	0.7
85.02946	0.8
89.02460	0.8
95.01388	1.9
97.02943	2.9
101.02441	1.0
105.88557	0.7
107.01397	2.6
108.02179	1.2
109.02936	1.1
111.00861	1.6
112.04065	4.0
121.02937	2.1
123.00898	11.3
124.01677	18.2
124.04031	5.0
125.02451	85.4
126.02773	5.3
136.01678	1.1
137.02448	2.8
138.05585	0.7
139.00406	1.9
139.04027	0.8
140.01122	1.4
140.07191	1.0
144.89307	0.8
149.02386	1.6
149.99590	32.6
150.02789	1.0
151.00429	4.4
161.02330	0.8
165.01851	0.9
166.05092	8.2
166.33932	0.8
167.03453	1.7
168.00642	58.2
169.01424	75.9
170.01765	3.0
181.05153	0.9
184.06114	6.6
193.01408	1.2
208.06055	0.7
210.81732	0.7
211.02426	6.7
212.02794	3.1
226.07150	0.7
253.07076	1.2
254.07529	0.9
271.04593	7.8
272.04877	4.8
313.05560	4.8
331.06644	3.0
416.12686	1.5
418.12869	1.1
435.09293	1.1
480.11639	1.1
498.12521	100.0
499.12677	7.4
499.18228	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30265	0.8
55.01873	2.8
57.03432	2.7
58.00586	0.9
59.01384	100.0
61.98828	6.8
69.40432	6.5
71.01384	29.5
72.99306	1.6
73.02947	12.3
83.01396	7.0
85.02948	18.0
86.00073	1.2
89.02460	6.0
95.01397	1.9
97.02977	1.0
99.00883	5.1
101.02450	35.0
111.00886	1.9
113.02462	12.4
119.03412	0.9
125.02474	3.8
129.01907	0.9
130.08734	0.9
131.03511	37.5
137.02455	0.9
141.38884	0.9
143.03476	2.6
153.05519	1.1
159.02972	2.6
161.04578	11.8
169.01392	3.0
179.46875	0.7
182.02245	1.1
183.02881	1.7
198.85374	0.8
241.04713	0.7
251.82610	0.7
305.19696	95.6
306.20172	6.3
437.18481	1.2
437.23917	12.1
438.17670	0.8
438.24115	1.3
497.20596	0.9
497.27576	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90836	1.0
55.01869	1.5
57.03424	2.3
59.01380	98.4
61.98836	6.9
62.24772	1.0
65.69638	1.1
71.00289	1.4
71.01379	31.7
72.99311	1.4
73.02950	15.5
75.00875	1.1
83.01401	7.9
83.43896	1.1
85.02951	22.0
87.00866	1.4
89.02468	5.6
95.01376	1.9
97.02966	1.4
98.49152	0.9
99.00860	6.1
101.02437	35.5
110.12494	1.1
112.54349	0.9
113.02460	16.4
115.50961	1.1
119.03485	1.9
125.02406	3.6
127.41966	1.3
131.03500	44.6
143.03471	2.0
150.70731	1.0
159.02977	2.1
161.04564	15.4
169.01382	3.4
174.09357	1.0
178.34027	1.0
182.02159	1.5
183.02827	1.8
191.15427	1.0
216.54242	1.1
304.65976	1.3
305.19696	100.0
306.19998	6.5
314.25507	1.3
349.18701	1.5
437.23874	14.4
497.27017	1.7
499.38846	1.1
504.29626	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	497.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.7
57.03443	2.5
58.00587	1.7
59.01381	62.8
61.98820	1.3
63.65497	1.1
64.69935	1.0
70.99654	2.3
71.01014	1.7
71.01385	26.8
72.99297	1.2
73.02950	9.9
78.95896	1.2
80.71684	0.9
83.01382	8.0
85.02953	14.5
88.14002	1.0
89.02433	3.7
95.01382	2.8
99.00891	6.0
101.02447	35.0
102.02728	1.3
113.02452	13.1
131.03505	40.4
145.19638	1.2
152.73790	1.0
152.99573	1.4
159.02954	2.1
161.04555	10.3
177.61403	1.0
177.63310	1.2
215.12898	1.3
305.19690	100.0
306.19992	7.1
370.37949	1.1
401.31158	1.1
437.23859	14.2
438.24402	1.6
451.57632	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59747	0.9
59.01371	3.4
70.95112	1.9
71.01364	1.9
76.98859	0.9
81.03445	1.2
83.01398	0.8
85.02949	1.8
85.20219	1.1
87.04511	3.6
89.02404	1.0
95.01377	1.6
108.02172	47.8
109.02244	1.6
109.02959	30.3
123.00887	1.6
125.02444	1.9
131.38777	0.9
135.08112	1.3
137.09702	3.6
143.10742	1.9
151.03981	0.9
152.01152	61.1
153.01933	25.6
155.10776	19.3
155.12050	0.9
156.11053	1.2
168.70882	0.8
179.10838	1.3
181.08661	1.3
185.53297	0.9
199.09735	3.7
203.81839	0.9
239.35597	0.9
241.10822	2.3
283.11880	2.4
412.72250	0.9
453.17627	4.9
497.16626	100.0
498.17004	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	497.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.9
57.48190	0.8
58.00610	1.0
59.01104	1.4
59.01382	12.0
61.98821	5.8
63.64120	0.8
64.68359	0.7
67.01922	0.8
69.36733	6.5
71.01379	7.6
71.05032	0.8
73.02952	2.7
81.03477	1.3
83.01423	0.8
85.02961	3.6
87.00912	0.9
87.04523	7.2
89.02475	2.0
95.01405	2.1
97.02956	2.1
97.06573	0.8
98.20735	1.0
101.02461	4.3
101.19410	0.7
107.01404	1.5
108.02245	1.1
109.03006	1.3
111.04542	1.1
111.08149	1.0
113.02460	1.0
122.03735	1.9
123.00902	3.1
123.04526	100.0
124.04875	3.4
125.02442	7.9
125.06059	1.2
135.08192	1.4
137.02516	1.1
137.09715	5.9
139.00360	1.6
139.07664	1.8
139.11374	1.1
140.01158	0.9
143.04628	0.9
151.00432	1.6
151.11320	1.0
153.05576	89.6
154.05936	2.7
155.10777	36.2
163.11308	1.5
165.09267	1.4
166.05110	1.6
167.10712	1.2
168.00616	1.2
169.01436	6.6
169.12413	1.6
179.10762	5.0
181.08788	2.7
191.10837	2.7
193.12253	0.8
195.10266	2.5
199.09749	35.6
200.10164	1.3
209.11937	1.0
211.02612	1.4
213.11404	2.0
223.09828	1.6
225.11380	1.5
241.10838	10.9
253.10844	3.3
255.12471	1.9
256.00064	1.0
283.11865	16.2
335.11514	1.1
335.18710	1.4
343.13919	9.1
343.17599	0.8
399.47769	0.8
414.51672	0.8
497.20450	50.1
498.20477	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	497.1665
Annotation	Cypellocarpin A
Peak:m/z	Relative Intensity
52.52717	0.8
54.53571	0.8
59.01376	16.0
61.98843	4.4
65.88411	0.9
67.01881	1.0
70.26597	1.4
71.01389	11.3
72.99308	1.9
73.02908	0.9
79.01912	1.2
83.01387	1.6
85.02946	3.4
87.00817	1.0
89.02438	9.5
95.01361	2.4
97.40870	0.8
97.53357	0.8
101.02444	8.0
107.01359	4.3
110.00186	1.0
111.00867	3.1
113.02461	4.9
119.03507	4.3
121.10235	2.4
123.00903	11.5
125.02446	24.7
127.00397	1.4
136.98911	1.3
139.00345	5.1
140.01138	4.5
141.01935	1.0
149.02431	0.8
151.00385	7.9
153.02003	1.2
165.09193	1.6
168.00627	6.0
169.01421	28.5
177.04031	3.1
183.10185	1.3
211.02472	13.7
267.29492	1.0
271.04575	11.3
329.05090	1.7
345.15543	19.2
346.15814	2.8
435.12811	2.2
453.17642	3.4
479.15475	1.7
497.16620	100.0
498.16928	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1665
Annotation	Eucaglobulin
Peak:m/z	Relative Intensity
54.93328	0.7
56.70866	0.6
57.03436	1.2
59.01381	6.8
61.98822	2.2
67.01881	1.5
69.03444	2.6
69.48206	3.9
71.01387	5.8
72.99303	1.3
73.02937	1.1
75.00874	0.9
78.95872	0.9
79.01894	1.6
83.01375	1.2
85.02950	2.5
89.02455	2.0
93.03424	0.6
95.01383	3.4
97.02935	1.2
101.02434	2.3
107.01398	7.4
108.02171	2.7
109.02933	2.1
110.00133	0.6
111.00859	1.4
111.08153	1.2
113.02459	2.0
119.03519	0.8
119.04992	0.6
120.97613	0.7
122.03793	0.6
123.00007	1.3
123.00885	23.1
123.04517	2.1
123.08157	0.9
124.01727	1.2
125.02444	26.6
126.02782	0.9
127.07670	3.8
128.03526	0.6
136.98776	0.8
137.02460	1.4
137.06064	1.7
139.00360	7.4
139.11281	2.1
140.01114	2.0
141.01906	2.5
145.02910	2.5
149.99525	0.6
150.99200	1.0
151.00369	18.0
152.01128	2.5
152.88138	0.7
153.01917	2.2
153.05559	2.3
155.07124	2.5
163.03981	1.0
165.01866	1.2
166.02492	0.6
167.03479	1.2
168.00638	3.6
169.01419	49.4
170.01770	1.4
183.02911	0.9
183.10255	3.0
193.01341	0.8
197.11909	1.3
211.02483	9.5
225.11308	1.5
253.03436	1.2
271.04611	1.3
284.03210	0.8
297.65839	0.7
299.05487	1.2
306.07590	1.2
307.08121	2.2
309.05988	0.7
313.05530	2.9
345.15421	2.1
437.14716	1.1
461.14575	1.4
497.16586	100.0
498.16977	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	497.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24779	0.7
54.04701	0.6
57.03456	0.9
59.01380	8.8
60.72569	0.6
61.98827	1.2
63.00465	0.6
67.01901	1.1
69.03445	1.2
71.01385	9.9
72.99298	1.6
73.02947	1.3
75.00875	4.8
76.00110	0.6
79.01898	0.8
83.01398	1.4
85.02552	0.5
85.02953	4.8
87.00882	0.9
89.02457	3.1
95.01379	2.5
97.02953	2.0
99.00856	1.5
101.02441	7.3
107.01393	9.7
109.02990	0.9
111.00877	3.2
113.02435	3.0
119.03542	1.3
121.10236	0.8
123.00891	12.2
123.04517	1.0
124.01679	1.3
125.02450	40.9
126.02740	1.5
127.00378	0.9
129.01915	1.4
136.98795	1.6
139.00360	4.4
139.03978	0.7
140.01152	3.5
141.01979	1.3
151.00378	7.0
152.01218	0.7
153.01942	1.3
153.05630	1.0
157.40659	0.7
157.66525	0.7
159.03003	1.6
161.04529	1.2
168.00623	6.4
169.01422	53.4
170.01741	2.1
177.04047	19.9
178.04289	0.7
185.55188	0.7
211.02461	7.5
220.95827	0.6
271.04593	4.1
313.05685	1.0
329.05139	9.6
345.15555	10.0
346.15823	0.6
376.28360	0.7
453.17593	13.2
454.18161	1.4
479.15555	3.0
497.16650	100.0
498.17047	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	497.13
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
53.80585	0.6
55.05922	0.6
59.01378	2.6
60.16191	0.5
61.98819	2.2
67.44257	0.6
68.00172	0.5
69.03459	1.2
69.44093	4.4
71.01382	5.8
72.99308	0.7
73.02909	0.9
78.83855	0.5
79.01872	0.9
81.03439	0.8
83.01388	1.7
85.02953	2.0
87.00866	1.0
89.02453	0.8
95.01387	1.9
96.95961	0.8
97.02960	1.6
101.02436	2.7
107.01389	12.0
111.00868	4.4
113.02457	1.9
121.02965	0.8
122.03745	1.0
123.00895	12.1
124.01687	2.9
125.02450	69.9
126.02788	1.9
127.00378	1.2
135.04529	1.3
136.98811	2.1
137.02419	1.1
138.03236	0.6
139.00348	6.6
139.03993	1.4
140.01175	4.7
141.01978	0.8
143.03525	0.5
143.07100	1.4
149.02492	0.6
150.03203	1.2
151.00383	7.7
151.03961	0.6
153.01930	4.6
153.05554	1.3
154.02708	1.9
155.03491	0.8
166.05067	1.2
168.00641	8.6
168.04283	5.4
169.01422	76.4
169.05014	3.5
170.01778	2.6
179.03503	1.6
181.01543	0.6
183.02989	7.2
183.06604	7.9
184.03404	0.7
191.03452	0.5
191.05666	0.8
206.99825	0.6
211.02480	3.6
228.90558	0.6
241.03488	1.9
241.17075	0.6
260.14893	0.6
271.04590	1.6
273.00430	0.6
273.12335	0.7
286.09583	0.7
297.06174	1.0
313.05643	25.6
314.05939	1.5
327.07172	3.6
331.06616	0.6
345.08316	2.0
372.09573	0.8
411.10437	0.5
497.13031	100.0
498.13193	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	497.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82294	0.3
57.90163	0.4
59.01378	4.3
61.98829	1.4
64.82996	0.4
65.45773	0.4
70.99706	0.7
71.00065	0.4
71.01377	2.8
72.99322	0.5
73.02988	0.7
77.45366	0.4
85.02945	0.5
87.00902	0.7
89.02464	0.7
93.32439	0.4
95.01384	0.8
96.96067	0.5
97.02981	0.6
101.02442	1.2
107.01394	3.4
108.02174	0.6
109.02950	0.5
110.00090	0.6
111.00904	2.3
113.02457	0.6
123.00920	3.1
124.01656	2.6
125.02460	21.6
126.02811	1.5
127.00370	0.8
136.98833	1.4
137.02390	0.6
138.05618	0.9
139.00401	3.2
139.04002	0.5
140.01183	3.5
151.00420	2.1
152.01144	0.9
153.02010	0.7
164.03607	0.6
165.01973	0.9
167.03499	1.9
168.00658	13.0
169.01439	30.5
170.01785	2.1
183.03011	2.2
211.02489	53.0
212.02844	2.3
224.05757	0.4
228.16823	0.4
241.03479	1.5
271.04593	100.0
272.04910	5.4
331.06696	11.6
332.07004	1.1
465.54550	0.4
497.11041	3.6
497.16882	2.0
498.12698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1301
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
59.01378	1.9
61.98841	3.3
65.00308	1.1
67.01892	1.5
68.99828	0.7
69.52242	3.1
71.01392	1.6
71.42783	0.4
72.99293	0.6
82.00562	0.6
83.01391	1.3
85.02981	0.7
87.00883	0.8
92.97575	0.4
95.01392	1.4
96.96022	4.4
101.02444	0.7
107.01392	10.1
108.02210	0.8
109.02924	1.0
110.00094	1.6
111.00888	9.4
118.60761	0.5
123.00901	3.3
124.01640	4.4
125.02448	27.8
126.02779	0.9
127.00372	3.4
136.98808	5.8
137.02438	0.8
139.00385	10.5
140.01160	13.8
147.96669	0.6
151.00343	1.8
152.01157	0.9
153.01894	0.8
154.99884	1.6
164.93333	0.5
165.01997	0.5
168.00645	16.3
168.02026	1.1
169.01421	100.0
170.01767	3.9
183.02982	97.7
184.03346	3.6
194.45325	0.5
210.20634	0.5
211.02530	0.6
214.57195	0.5
236.75064	0.4
237.16570	0.4
241.51932	0.4
248.88399	0.4
248.91685	0.5
249.81934	0.5
271.04568	1.5
291.08707	1.0
319.83630	0.6
331.06586	1.4
335.07727	6.6
492.18167	0.6
497.12720	25.4
497.20114	8.4
498.13049	3.0
498.20392	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.094
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53961	0.4
55.01881	0.5
59.01375	1.4
61.98830	2.2
64.17851	0.4
65.00327	0.4
70.81503	0.9
71.01379	1.0
83.01401	1.2
85.02957	0.5
85.50991	0.5
95.01417	0.4
96.96014	8.2
99.00893	0.4
101.02454	0.6
107.01386	4.9
108.02206	0.4
110.00092	1.0
111.00887	4.8
113.02484	0.4
123.00910	2.5
124.01629	3.5
125.02459	15.6
126.02756	0.8
127.00387	1.5
136.98801	3.7
137.02458	0.7
139.00378	4.7
140.01170	7.2
151.00356	1.8
152.01137	0.6
154.99889	0.9
168.00638	9.3
169.01427	47.7
170.01762	1.6
183.02988	100.0
184.03326	3.6
211.02512	0.9
271.04572	0.8
280.21436	0.4
291.08688	0.9
297.09308	0.4
313.05682	0.6
331.06668	0.8
332.88766	0.4
335.07736	3.1
497.09390	9.2
497.13339	7.0
497.20303	8.1
498.20792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
55.27368	1.0
56.13069	1.2
56.63449	1.0
59.01371	12.9
61.98832	19.1
62.19169	1.0
67.01878	1.2
69.03430	1.1
71.01392	9.8
71.51392	1.6
73.02953	3.3
83.01382	2.1
85.02958	2.7
87.00869	3.8
87.23777	1.1
89.02451	5.0
95.01379	2.7
97.02946	1.2
99.00854	1.8
101.02428	5.6
105.01920	4.5
107.01382	4.6
111.00845	2.7
113.02428	2.9
119.03465	1.2
119.04977	1.6
123.00887	11.8
125.02444	23.2
126.02763	1.7
131.03516	1.1
136.98795	1.5
139.00380	5.9
140.01154	2.3
141.01920	1.1
143.03516	1.1
151.00354	10.7
161.04594	1.3
163.04037	1.7
164.03448	2.0
165.04063	9.2
168.00652	3.2
169.01419	31.5
169.02843	2.0
170.01686	2.3
172.30989	1.2
179.05394	1.3
185.38945	1.1
189.33122	1.0
191.03580	1.3
191.05605	1.5
193.73485	1.2
201.01932	1.1
203.03394	1.4
211.02477	4.3
217.01297	1.1
233.63052	1.2
247.02397	1.4
251.94649	1.1
271.04523	7.1
273.00409	1.2
300.99753	1.6
302.00345	1.3
313.05603	5.4
331.06696	3.6
345.08237	1.4
433.13477	100.0
434.13626	8.1
496.10913	2.2
496.18231	5.6
497.16824	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	495.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17045	1.0
57.03452	6.4
59.01103	2.1
59.01381	20.6
61.98833	51.0
67.01889	1.1
68.99838	2.2
69.03451	10.4
70.99992	2.6
71.01385	39.6
71.05004	3.0
72.99324	2.1
73.02945	10.8
74.99088	1.3
81.03458	2.2
83.01393	7.5
83.05040	1.8
85.02954	22.9
87.00909	1.8
89.02454	6.6
93.03465	5.1
95.01394	7.0
97.02950	1.9
99.00896	3.8
99.04521	6.8
101.02446	23.0
107.01400	2.5
108.02183	19.8
109.02954	18.3
111.00835	1.6
111.04574	1.5
113.02459	18.9
119.03501	3.3
120.99648	5.3
121.02944	3.0
121.06531	1.1
122.03745	60.7
123.00886	4.0
123.04539	71.7
124.04889	2.1
125.02461	10.5
131.03560	1.3
136.99127	1.3
137.02435	16.3
137.06082	1.6
139.00317	1.7
139.11296	37.5
140.01151	1.4
141.09192	1.2
143.03519	1.9
149.06024	1.7
149.99596	2.0
151.00418	2.0
153.01941	1.5
159.03036	2.0
161.04550	25.8
162.04941	1.3
163.03975	1.3
165.05647	1.3
168.00658	2.5
169.01466	9.1
179.05556	2.1
183.10258	100.0
184.10558	4.3
201.15007	2.9
211.02527	1.3
225.11324	1.9
271.04565	2.4
285.09689	3.2
313.05551	1.7
331.24905	1.3
333.26382	5.5
432.09991	1.3
495.19226	28.7
495.24847	1.6
495.31253	16.7
496.19058	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	495.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.1
58.00587	2.5
59.01379	100.0
61.98832	1.8
66.35115	0.9
69.24700	2.0
69.25103	7.6
71.01379	41.8
72.99292	1.7
73.02948	4.1
80.43216	0.8
83.01384	2.2
85.02956	7.9
87.00891	2.5
89.02445	61.9
90.02755	1.4
95.01366	1.5
99.00885	3.3
99.30482	0.9
101.02442	28.5
113.02458	10.8
119.03503	13.4
125.02422	1.4
129.01889	2.0
131.03506	50.3
132.03850	1.3
142.39497	0.9
143.03519	3.8
149.03357	1.8
149.04553	34.0
152.99637	1.5
161.04564	6.0
169.01462	1.0
179.05600	13.4
191.03987	1.9
191.05605	23.1
221.06717	2.1
221.94569	1.0
247.24673	0.9
251.07773	2.3
276.77643	1.0
303.18246	4.4
311.09531	1.3
435.22397	5.3
435.28848	2.1
495.22800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1143
Annotation	tarocin A1
Peak:m/z	Relative Intensity
55.03004	0.9
59.01370	3.7
59.51648	1.0
61.33459	1.0
61.98806	1.3
65.00340	1.0
71.01358	3.8
71.28857	1.6
77.20524	1.0
95.01348	1.8
100.21732	1.0
101.02422	2.1
107.01379	7.9
111.00861	2.8
113.02422	1.9
122.03725	6.6
123.00887	6.8
124.01613	2.8
125.02445	42.6
126.02845	0.9
135.04480	3.4
136.01656	2.8
137.06082	95.4
138.03215	1.1
138.06386	4.4
139.00317	3.4
140.01097	1.8
150.94420	0.9
151.00362	5.7
153.01840	1.4
153.05518	2.7
153.89880	1.2
163.04010	28.4
164.04259	1.2
168.00676	4.7
169.01419	56.7
170.01744	1.5
181.05063	100.0
182.05318	4.1
193.01440	1.2
211.02380	3.2
223.06190	1.3
241.03371	1.2
271.04413	3.9
313.05649	28.5
343.10370	14.0
359.09949	1.1
495.11172	99.0
496.11642	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	495.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89793	0.4
53.54446	0.4
57.03451	3.9
59.01388	0.9
61.98838	0.5
69.22059	4.0
71.01426	0.5
78.91890	0.8
81.03464	2.2
83.01409	1.0
83.05021	3.5
95.01411	0.6
96.96027	0.6
97.02962	0.5
97.44531	0.4
107.01413	0.6
107.05093	0.4
109.02982	0.5
113.02508	0.4
121.02944	1.2
123.00859	1.0
123.04519	1.3
123.08160	1.6
125.02449	100.0
125.06077	18.9
126.02802	2.8
137.02438	0.9
137.06133	0.9
139.04012	2.2
139.44466	0.4
143.07112	0.5
149.02448	14.4
150.02811	0.5
151.00342	0.7
151.03952	0.6
167.03500	3.9
169.01416	5.1
170.01755	0.6
179.03592	0.8
181.05083	2.5
191.03479	1.3
215.07088	0.4
215.22911	0.5
233.08084	0.4
253.07167	32.9
254.07533	2.3
277.07156	11.3
278.07724	0.5
295.08142	2.1
296.08398	0.4
300.99869	0.7
307.08279	0.8
313.05597	1.4
319.08075	0.4
340.22958	0.4
355.10141	0.5
397.11197	0.6
415.12451	39.1
416.12772	4.0
495.07944	37.6
496.08163	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00872	0.6
52.09079	0.6
61.14393	0.6
61.98832	100.0
69.30021	5.6
83.73467	0.6
134.76477	0.7
232.65240	0.6
319.26608	1.0
431.31531	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	495.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07805	0.9
52.67397	1.0
55.97122	1.0
57.03442	1.2
59.01366	6.0
61.98829	7.4
65.00305	1.0
65.03940	2.0
67.01859	3.9
69.03433	1.6
70.93958	1.0
71.01377	7.5
72.99286	0.9
73.02921	1.6
81.10882	1.0
83.01374	2.6
85.02929	2.5
88.18014	1.0
88.98745	1.4
89.02401	4.2
91.01904	8.6
93.03462	4.9
95.01345	3.2
96.96011	1.5
97.02923	1.8
97.98283	1.1
98.20741	2.6
101.02417	1.9
107.00747	1.2
107.01386	18.2
109.02952	18.7
111.00864	2.5
113.02421	2.8
119.05000	1.8
121.02946	2.5
123.00892	14.3
123.04523	1.1
124.01640	2.3
125.02448	82.7
126.02728	2.1
129.05481	1.9
135.00891	28.9
136.01120	1.6
137.02441	67.1
138.02742	2.0
139.00395	6.3
140.01071	2.1
141.01880	1.2
145.02890	1.5
151.00377	9.4
151.03975	1.6
153.01918	8.5
161.02385	2.0
163.00360	50.2
163.03934	2.2
165.01785	1.5
167.03362	1.5
168.00563	4.3
168.01891	1.2
169.01414	100.0
170.01653	3.7
179.03352	2.2
181.01408	2.0
185.02359	1.2
191.03838	1.1
191.05609	9.5
193.98457	4.3
194.99133	1.5
197.44087	1.1
201.01740	1.4
209.00751	1.7
211.02393	5.4
229.01268	2.1
241.03552	1.3
257.00656	1.9
271.04602	7.0
271.10724	2.2
275.02011	4.9
300.96735	1.3
300.99854	19.8
302.00070	2.3
313.05634	61.8
314.05756	2.9
315.17856	1.2
343.06458	3.1
423.09354	7.5
433.13058	4.1
449.07236	13.2
451.08768	32.2
452.08716	3.4
476.99908	1.4
477.06671	33.1
478.06750	2.9
495.07385	36.1
496.07727	3.5
515.19720	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
61.98824	4.1
71.01388	2.7
71.50576	0.8
72.00897	1.6
73.02972	0.7
74.02471	2.0
74.80968	0.5
79.01878	0.7
83.01398	0.6
85.02958	1.3
87.00805	0.6
89.02422	0.8
93.03458	5.7
95.01399	2.1
96.96053	0.6
97.02943	0.9
99.00883	0.6
101.02414	1.6
107.01382	5.1
107.05045	1.4
109.02901	0.7
111.00880	1.8
113.02434	1.0
116.05020	0.7
119.05038	8.5
121.02925	0.7
123.00894	8.8
125.02450	34.7
126.02802	1.3
127.00365	0.8
135.04521	1.1
136.07709	1.1
136.98833	1.1
137.02419	1.3
139.00365	4.6
140.01161	2.1
141.01979	1.5
145.02861	0.6
151.00359	7.3
153.01935	0.9
158.96567	0.5
163.04013	7.5
166.05101	0.6
166.99835	0.8
168.00652	3.5
169.01422	45.3
170.01752	1.4
173.02242	0.5
180.06656	22.9
181.06981	1.0
194.99255	0.7
203.08301	1.3
206.04539	0.8
211.02402	1.0
223.02425	0.8
247.02617	0.8
253.03560	1.0
275.01990	2.8
300.36249	0.6
300.99982	3.4
313.05643	12.6
314.06146	1.1
342.11871	1.2
448.12753	1.5
449.11096	0.8
463.29843	0.7
476.11884	3.2
477.10376	1.4
494.13034	100.0
495.07190	1.0
495.13489	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67224	0.6
54.18518	0.6
57.03429	1.7
59.01382	19.4
61.98837	1.0
69.20040	2.9
69.20461	4.6
71.01384	11.5
71.05020	1.0
72.99314	1.2
73.02966	2.0
83.01388	1.8
85.02950	3.9
87.00888	1.5
89.02451	7.5
95.01392	1.2
98.20691	1.6
99.04547	0.7
100.80259	0.7
101.02453	8.8
113.02464	4.0
119.03500	2.5
119.04968	0.8
125.02438	1.7
127.11291	1.1
129.71672	0.7
131.03513	2.1
137.02475	1.5
145.02983	1.3
149.04572	1.9
169.01479	1.3
171.10284	2.8
179.05695	0.7
191.05681	0.8
197.47009	0.7
199.07646	2.9
217.39125	0.7
295.22754	1.5
298.06537	0.7
313.23804	10.5
314.24350	1.6
329.23300	2.5
330.23871	0.7
331.24902	28.8
332.25250	2.3
335.12650	0.9
450.03201	0.8
470.85623	0.9
474.69208	0.8
493.30209	100.0
494.30466	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	493.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03440	0.7
58.00586	0.9
59.01379	15.6
59.75071	0.3
61.57402	0.3
61.98827	1.9
63.76986	0.3
68.77880	0.3
69.67467	0.6
69.67871	1.9
71.01380	10.7
71.89705	0.3
72.99300	0.8
73.02952	1.9
75.00845	0.5
78.82584	0.3
83.01392	1.8
85.02944	4.0
87.00883	1.0
89.02445	5.3
93.03461	2.2
95.01360	0.8
97.02976	0.3
98.19865	0.4
99.00898	0.5
101.02455	7.3
109.02981	0.4
111.00852	0.4
113.02459	3.6
117.65579	0.4
119.03502	1.6
123.04535	0.7
125.02436	2.1
125.09708	0.4
127.11301	1.7
131.03496	0.4
131.32153	0.4
133.02895	0.4
136.53378	0.4
137.02448	4.3
143.10786	0.6
152.01152	0.5
155.10759	0.9
157.12305	1.1
159.10226	0.3
161.02457	0.7
168.00728	0.4
169.01393	1.3
170.01758	0.6
171.01842	0.5
171.10289	2.3
185.11934	0.5
228.18753	0.4
288.66971	0.4
295.22855	1.9
311.22354	0.6
313.20187	0.6
313.23819	10.4
314.24426	0.9
329.23196	2.1
331.24881	30.8
332.25293	2.8
475.29080	0.7
493.30170	100.0
494.30484	13.3
506.53391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16725	1.5
54.78204	1.4
57.03458	2.7
58.00589	2.0
58.32595	1.7
59.01383	100.0
61.98829	8.9
71.01012	2.3
71.01389	46.2
71.52568	1.6
71.52956	1.9
72.99307	3.3
73.02941	5.6
80.50931	1.5
83.01399	3.0
85.02961	12.4
87.00868	1.7
89.02450	59.4
95.01398	1.8
98.25458	1.7
99.00836	3.2
99.95181	1.5
101.02456	30.1
107.01395	1.6
109.02946	2.1
113.02457	13.4
119.03503	15.0
123.00894	2.6
123.04534	2.3
125.02479	13.6
129.01962	1.8
131.03506	46.2
133.02943	5.5
137.02458	19.1
143.03426	4.4
145.02869	1.9
149.04578	27.8
151.00378	2.5
152.01163	2.4
161.02440	13.6
161.04576	4.1
169.01424	8.5
179.05598	9.7
191.05641	17.8
219.02895	1.8
251.07784	1.7
283.68976	1.9
301.16583	16.0
331.24725	2.1
433.20792	2.0
472.48050	1.8
493.21005	7.8
493.29965	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	493.2597
Annotation	Diperezone
Peak:m/z	Relative Intensity
51.57338	0.5
61.98827	1.3
63.90552	0.5
69.75805	2.7
79.01862	0.6
95.01386	1.2
111.00821	0.5
122.03746	17.0
123.00888	11.6
124.01653	1.8
125.02460	10.1
135.04532	14.1
136.01677	5.3
136.05338	0.7
139.00352	2.3
139.68217	0.4
141.01888	1.0
149.06100	2.5
150.99203	0.6
151.00385	8.3
173.61792	0.5
177.09219	1.3
191.10738	1.8
205.12328	1.4
219.13896	1.0
297.18588	0.6
311.20050	0.9
325.21680	0.8
339.23279	4.0
341.24847	100.0
342.25150	10.9
428.29224	1.5
457.33194	2.9
458.45599	0.6
465.26199	1.4
475.24768	1.4
493.26010	35.1
494.26227	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	493.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	7.6
61.98837	3.7
66.91477	0.5
67.01883	1.0
69.03467	0.8
69.32461	3.8
71.01379	5.7
72.99290	0.8
73.02942	1.0
73.63967	0.5
79.95734	3.2
83.01385	0.8
85.02947	1.7
87.00839	0.8
89.02464	2.4
91.93308	0.5
95.01355	1.5
96.96012	99.8
97.02948	1.2
101.02444	3.4
107.01378	6.5
111.00879	1.6
113.02455	2.7
119.03466	0.8
123.00880	8.5
124.01613	0.6
125.02448	34.9
126.02783	1.5
135.04485	1.6
135.98338	0.7
136.98778	0.9
137.02470	0.6
139.00385	2.9
139.03957	0.7
140.01143	2.0
141.01958	1.0
145.02870	1.0
146.03722	8.5
147.04533	0.9
150.12654	0.6
151.00375	5.5
153.01894	0.7
161.02354	1.1
161.04686	0.9
161.06088	2.3
163.03931	0.6
164.04788	6.6
165.05399	0.7
168.00638	2.0
169.01427	47.9
170.01762	1.7
179.03473	0.9
179.05698	1.0
179.07111	5.6
183.02946	0.8
211.02406	1.5
241.03569	0.8
271.04776	1.0
279.04169	0.6
297.06070	1.0
313.05661	17.9
314.05972	0.9
331.07199	0.6
331.12262	1.7
343.39038	0.6
349.01035	0.7
433.24445	1.1
493.12253	23.4
493.17288	100.0
494.12747	3.5
494.17841	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	493.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03769	0.9
59.01383	17.8
65.19568	1.0
66.53485	0.9
71.01385	12.5
71.26456	1.6
72.99314	1.1
79.01894	2.0
83.01346	1.0
85.02957	2.5
87.00872	3.1
89.02460	12.3
95.01394	1.7
97.02989	1.3
101.02456	5.9
107.01402	3.8
111.00855	1.1
113.02420	5.3
119.03504	4.1
123.00881	15.2
124.01730	1.1
125.02451	27.5
126.02824	1.4
128.57518	0.9
130.03081	0.9
137.02446	1.6
139.00423	4.4
140.01047	1.0
151.00354	12.6
161.04578	0.9
164.86290	1.0
166.99886	1.5
167.03557	1.3
168.00658	5.3
169.01424	62.3
170.01768	2.5
179.05527	1.0
183.03047	1.3
188.34158	0.9
193.01443	1.7
211.02505	11.4
213.12732	1.0
223.02498	0.9
238.17699	0.9
240.45973	1.0
265.11511	0.9
271.04523	4.8
313.05646	12.1
330.06110	1.2
331.06711	37.8
332.07108	1.8
341.10910	1.1
373.08270	1.3
433.09747	1.4
493.12000	100.0
494.12314	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	493.1357
Annotation	Ericifolin
Peak:m/z	Relative Intensity
59.01378	10.5
61.98830	3.7
65.00328	0.8
67.01911	0.8
69.03462	1.0
71.01384	7.7
73.02923	1.1
74.84602	0.7
76.14474	0.7
79.01900	0.9
79.95736	2.5
83.01376	1.3
85.02953	3.6
85.77416	0.7
89.02454	4.4
93.03477	0.9
95.01379	1.9
96.96018	100.0
97.02962	0.8
100.79369	0.9
101.02453	4.6
107.01399	8.2
111.00892	1.2
113.02454	3.7
123.00907	10.9
124.01685	2.0
125.02451	41.4
126.02834	0.8
136.98759	1.0
139.00354	3.4
139.04056	1.0
140.01134	2.7
145.02997	0.8
146.03754	9.5
147.04410	1.1
151.00369	8.2
161.02477	0.9
161.04556	1.1
161.06093	3.1
164.04803	7.2
165.05403	0.8
167.03503	1.4
168.00662	4.2
169.01436	56.2
170.01733	2.5
179.03539	1.0
179.05663	1.1
179.07101	7.0
183.02876	0.9
211.02492	1.3
241.03427	1.2
241.85446	0.8
263.53140	0.9
271.04578	1.2
299.84000	0.8
313.05679	19.5
314.06033	0.9
331.12653	3.1
332.41895	0.9
433.24084	0.9
493.12579	37.9
493.17520	87.8
494.19052	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	493.1197
Annotation	16-Oxonapyradiomycin A2
Peak:m/z	Relative Intensity
50.86028	0.8
59.01111	1.0
59.01381	13.5
63.52922	0.8
67.01890	1.0
67.91458	1.0
69.03458	1.6
71.01388	14.6
71.50170	1.3
72.99297	1.4
73.02919	1.4
79.01909	1.2
81.03465	0.9
83.01371	1.5
85.02940	4.4
87.00875	12.8
89.02454	9.0
95.01380	2.9
97.02946	2.3
97.57397	0.7
101.02436	8.4
103.49323	0.8
107.01411	6.1
111.00915	2.1
113.02465	7.4
119.03516	2.5
120.22862	0.8
123.00891	17.0
124.01728	2.0
125.02454	63.3
126.02813	1.8
137.02406	3.3
139.00375	5.1
140.01141	3.1
141.01865	1.5
143.03445	1.0
149.02385	1.0
149.04468	1.6
151.00375	14.3
151.03981	1.5
161.02464	0.9
161.04565	1.2
161.55693	0.7
165.01956	2.2
166.02667	1.1
167.03467	1.2
168.00607	8.0
169.01436	85.3
170.01717	2.5
177.01936	1.2
179.03503	2.9
179.05672	1.3
193.01483	1.2
195.02899	1.2
205.01344	1.0
211.02489	13.8
212.02834	1.0
223.02458	4.4
239.01913	1.0
241.03482	2.6
271.04596	15.8
272.05014	1.2
283.04480	4.5
313.05652	68.6
314.06091	3.8
331.06714	21.6
332.06967	2.0
341.10767	1.5
373.07617	0.9
433.09500	1.3
493.11978	100.0
494.12369	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	492.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.47803	5.1
148.40700	0.8
166.12119	0.9
219.00139	1.0
258.01801	1.0
259.01974	1.3
295.49066	0.7
333.23563	0.8
357.20636	0.8
385.94647	0.8
391.73550	0.8
429.29822	1.6
492.24680	9.1
493.25259	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48326	0.7
59.01385	3.6
68.61555	0.9
69.03466	1.4
70.25467	2.2
70.25794	0.7
71.01389	8.5
73.02934	2.4
78.22132	0.6
79.01884	1.4
83.01385	1.4
85.02960	3.2
87.00337	1.2
87.00874	22.8
88.01109	0.8
89.02444	1.6
95.01397	3.2
97.02954	2.6
99.00858	1.1
101.02421	4.3
107.01380	5.7
111.00883	1.6
113.02439	4.9
123.00894	11.9
123.04469	0.8
124.01670	2.7
125.02444	73.5
126.02780	1.8
136.98822	2.0
137.02432	5.2
139.00388	3.7
139.04001	1.2
140.01120	2.3
141.01894	1.6
151.00349	12.3
151.03987	2.4
153.01959	0.7
161.02466	1.2
161.04533	1.1
165.01921	3.2
167.03465	1.5
168.00635	4.9
169.01419	76.3
170.01790	2.7
171.03709	0.7
177.01909	2.9
179.03482	3.9
195.02969	1.2
205.01451	2.0
211.02512	10.4
223.02403	6.6
239.01944	2.5
271.04578	16.1
313.05637	100.0
314.06073	5.2
331.06671	4.4
394.31479	1.0
493.11954	56.2
494.12366	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	491.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25824	0.2
54.41210	0.1
55.01862	0.3
58.00605	0.1
59.01375	4.3
71.01378	3.8
72.99294	0.2
73.02946	1.1
83.01394	0.4
85.02945	1.1
87.00873	0.7
89.02454	2.9
91.04000	0.2
95.01379	0.3
97.02936	0.4
98.19904	0.6
99.00876	0.3
101.02441	3.9
103.03969	0.2
103.64925	0.1
109.33865	0.2
113.02445	1.7
117.03460	0.7
119.03497	0.8
119.05035	0.4
125.02393	0.3
133.05055	0.4
143.03468	0.4
145.01889	0.3
145.02954	3.1
161.04536	1.5
163.03938	0.2
179.05586	0.6
229.21614	0.2
235.08203	1.3
253.09279	12.5
254.09639	0.4
255.23270	100.0
256.23602	7.2
258.01736	0.4
268.76349	0.2
271.22708	0.3
331.26605	0.3
399.25513	1.0
417.26486	0.8
491.24423	0.2
491.30283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04812	0.7
59.01380	100.0
60.01698	1.1
61.98844	1.8
71.01374	3.8
71.52476	1.0
73.02946	1.2
74.34563	0.6
75.00879	0.7
78.06271	0.6
83.01376	1.1
85.02965	1.8
89.02448	1.8
101.02449	2.4
103.11804	0.6
105.42322	0.6
108.02171	1.3
113.02473	2.0
125.02502	0.9
137.02431	0.7
138.28711	0.6
142.01569	0.6
152.01129	1.5
155.10809	1.1
168.00708	0.7
169.01288	0.7
169.17673	0.6
171.19147	0.5
182.02187	1.5
183.02989	7.5
184.03313	4.9
185.03433	6.1
186.03735	3.2
187.03995	1.1
210.36591	0.6
213.07335	0.6
328.52911	0.8
329.06485	0.8
338.04993	0.9
339.05133	1.3
371.20615	1.6
431.22171	0.8
431.27313	0.7
448.12662	0.8
491.12286	0.8
491.22232	1.4
491.28812	2.5
491.64011	0.6
492.30911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28822	0.5
54.90332	0.5
59.01381	100.0
60.01716	1.1
61.98848	1.3
63.60498	0.5
71.00464	1.2
71.00790	0.7
71.01389	2.7
73.02950	0.7
73.92558	0.5
83.01376	0.6
85.02995	0.8
89.02434	0.9
101.02451	2.1
108.02194	1.2
113.02483	1.1
116.24998	0.5
119.03506	0.6
125.02402	0.8
134.07118	0.5
137.02434	0.6
152.01208	1.5
153.01923	0.8
161.04584	1.2
169.01424	1.2
181.60620	0.5
182.02235	1.1
183.02991	6.5
184.03329	3.9
185.03497	5.0
186.03812	2.0
187.04024	1.2
220.93390	0.7
225.11461	0.7
232.89180	0.5
290.04886	0.6
322.17813	0.6
325.34775	0.5
338.05048	1.0
339.05298	0.7
353.19843	1.1
371.20920	1.5
389.21960	1.0
431.26758	0.8
448.12708	1.0
491.28824	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32876	0.6
55.01901	0.8
55.45759	0.7
58.48309	0.8
59.01380	100.0
60.01712	0.8
61.98831	2.9
69.03455	1.3
69.50866	0.8
70.26626	2.6
71.01378	14.2
72.99332	1.1
73.02946	14.7
75.00879	0.7
83.01374	4.1
85.02958	2.4
86.02237	0.7
89.02446	6.9
99.00922	0.8
101.02445	18.2
104.35216	0.8
108.02174	3.6
109.02950	14.6
113.02451	8.6
119.03519	2.7
123.00941	1.3
123.04527	15.2
125.02473	3.1
131.03522	2.6
132.02200	2.0
134.03734	4.2
143.03488	2.2
149.04541	4.2
152.01123	3.8
153.01939	15.2
153.05580	14.4
153.09175	4.9
160.01660	8.4
161.02507	1.1
161.04555	4.9
166.99873	1.3
169.01443	2.6
175.03975	10.8
181.12253	1.5
182.02185	7.0
183.02994	5.4
191.05638	1.8
193.05135	2.8
209.15465	5.2
211.13423	0.7
221.06813	1.0
277.15482	0.9
315.07333	6.3
323.07263	0.8
337.09259	10.1
337.12668	0.9
371.20685	5.4
389.21930	1.5
431.22900	7.7
432.23264	0.9
491.11566	10.6
491.21384	5.4
491.28107	1.0
492.12628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04567	0.7
55.01874	1.1
59.01389	8.1
69.74296	2.8
69.74708	1.4
71.01390	5.1
72.99303	0.9
73.02944	7.0
75.00874	1.1
83.01354	0.7
85.02978	1.0
89.02449	16.8
101.02477	1.2
101.03742	0.7
103.03999	1.4
131.03519	8.2
141.37668	0.9
149.04564	100.0
150.04924	2.5
179.05586	0.8
341.10901	1.0
426.07828	0.9
484.42526	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2287
Annotation	Scupolin J
Peak:m/z	Relative Intensity
55.01875	1.3
55.02126	0.3
57.03441	1.5
58.00593	0.7
58.67878	0.4
59.01378	10.3
61.98809	0.4
68.99811	0.6
69.03471	0.4
70.82363	0.9
71.01379	9.3
72.99303	0.6
73.02956	3.2
83.01379	2.7
83.57272	0.3
85.02949	5.4
86.45564	0.4
87.00873	0.8
89.02453	2.1
93.03457	35.0
94.03788	1.2
95.01370	1.9
97.02926	0.6
99.00890	0.9
101.02443	7.7
105.44117	0.4
105.96107	0.4
108.02212	1.2
113.02461	2.8
119.03511	0.7
119.05035	1.7
121.02968	1.5
123.00878	0.5
123.04501	3.6
125.02441	1.6
136.01669	2.5
137.02441	81.8
138.02768	2.2
153.31277	0.4
159.03049	0.5
159.04312	0.4
161.04538	0.4
163.04022	2.3
165.12781	0.4
169.01418	1.7
177.05505	0.5
179.03352	0.4
204.72108	0.4
209.15475	1.6
221.04498	1.3
239.05547	0.5
268.89374	0.4
281.06592	0.8
329.23276	1.3
373.25980	0.9
483.70914	0.5
491.22821	100.0
491.28455	4.5
492.23178	13.5
492.29016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1556
Annotation	Monnieraside II
Peak:m/z	Relative Intensity
57.03414	1.1
59.01378	31.9
60.01705	1.1
61.98832	4.0
69.03478	1.0
71.01360	7.0
73.02943	3.0
83.01387	1.5
83.77234	0.9
85.02941	2.2
86.38085	1.0
89.02457	2.3
93.03442	3.0
95.01395	1.6
95.05019	1.7
98.19913	3.4
99.00884	1.2
101.02455	5.6
108.02174	6.1
109.02969	2.8
113.02454	2.5
119.03533	1.7
121.02973	1.8
122.03728	2.0
123.00893	3.5
123.04525	100.0
124.04845	2.3
125.02441	3.3
132.02171	10.1
133.02968	1.4
134.03740	15.4
135.04475	1.0
137.02463	2.7
139.38675	0.9
149.06091	2.5
152.01151	9.4
153.01999	6.7
153.05573	92.1
154.05931	2.6
160.00299	2.0
160.01645	42.6
161.02309	3.0
161.04620	1.0
166.99825	2.3
168.00543	1.4
169.01416	6.6
171.75142	0.9
175.03992	56.9
176.04396	2.6
177.02007	1.2
182.02214	15.1
183.02957	14.6
191.07117	1.7
193.05054	13.8
209.08157	3.3
211.13470	2.4
281.06580	1.1
312.53818	0.9
315.07227	2.1
315.10849	3.0
334.03482	1.3
337.09265	73.0
338.09634	6.0
373.18643	7.2
447.22354	2.0
491.12112	9.6
491.21909	4.5
491.27612	1.3
492.11774	1.6
492.68753	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62025	0.9
53.37185	1.0
58.40200	0.9
59.01379	29.5
59.57510	1.0
61.98815	4.2
69.60795	2.5
69.61208	3.3
71.01381	7.9
72.99297	1.1
73.02938	3.2
83.01376	1.6
85.02948	2.8
87.00860	1.8
89.02441	3.3
93.03444	1.2
95.01377	1.7
95.05025	1.8
98.20580	1.8
99.00845	1.4
101.02426	6.0
108.02193	5.8
109.02939	4.1
113.02444	3.0
117.03432	1.0
119.03463	1.7
121.02900	1.0
122.03735	2.2
122.68144	1.1
123.00877	2.4
123.04527	98.0
124.04848	2.4
125.02429	4.3
132.02158	8.1
134.03738	17.1
137.02444	2.3
145.02814	1.1
149.06052	2.9
151.00403	1.1
152.01137	8.0
153.02032	6.8
153.05571	100.0
154.05891	3.2
160.01659	40.4
161.02251	2.7
161.04572	1.0
163.03864	1.1
166.99852	3.8
168.00633	1.1
169.01398	7.9
175.03995	57.9
176.04337	2.8
177.05608	1.2
178.02672	1.5
178.29535	1.1
181.12350	1.7
182.02203	16.2
183.02986	17.1
186.80682	1.0
193.05040	15.2
194.05394	1.0
209.08153	1.8
246.39841	1.0
295.08157	1.4
306.99155	0.9
307.33459	1.1
315.07220	3.2
315.10812	3.1
329.03128	1.1
334.03104	1.7
335.04031	1.7
337.09271	74.1
338.09491	5.8
339.07028	1.6
373.18622	5.5
405.21085	1.1
431.23315	1.2
447.22363	3.1
491.11823	9.1
491.21533	4.6
491.27933	1.7
492.11615	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	491.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43507	1.2
54.68699	1.5
59.01381	44.5
60.01714	1.4
61.98821	4.3
62.50729	1.2
64.99403	1.2
68.99828	1.6
69.26235	11.0
71.01385	16.1
73.02955	2.6
74.32147	1.5
75.00878	1.5
81.03369	1.4
83.01395	3.8
85.02962	5.1
87.00884	1.5
89.02462	3.0
93.03468	41.7
97.02926	1.6
98.20673	2.5
101.02446	12.3
108.02189	20.6
109.02999	6.2
111.04530	6.4
113.02470	6.2
119.03535	2.6
121.02966	8.7
122.03761	5.2
123.04494	2.5
124.53635	1.1
125.02469	3.1
134.03815	2.0
135.04521	2.2
135.08051	1.3
136.01683	2.2
137.02455	93.0
137.06026	3.1
141.91406	1.4
146.08203	1.8
147.04485	1.7
147.08162	4.3
152.01192	4.8
153.01965	5.2
160.01659	1.8
161.04604	1.6
163.07690	6.0
164.08447	9.8
165.09215	59.7
166.09589	1.4
169.01434	3.1
173.06050	1.7
175.04051	2.1
179.07201	1.7
182.02222	3.9
183.02951	3.7
189.05591	3.3
191.07144	33.1
208.07350	2.4
209.08200	100.0
210.08571	5.9
281.06677	81.3
282.07031	3.9
353.12344	6.1
371.13428	34.7
372.13757	3.1
431.22760	1.4
491.15674	80.5
492.15802	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	491.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42039	0.3
54.49712	0.3
58.22356	0.3
59.01354	0.6
61.07756	0.3
65.00317	0.4
70.51746	0.6
70.52094	0.7
75.02402	1.4
79.01909	0.4
91.01901	4.2
93.03471	0.7
95.01387	0.9
95.05023	0.4
98.78424	0.3
100.04383	0.3
103.01893	1.2
107.05051	0.7
108.02177	2.6
109.02950	1.8
119.01387	5.3
119.04954	0.4
120.02113	0.4
121.02961	1.5
123.00832	0.4
123.04557	0.6
124.01656	0.7
131.01402	5.1
133.02950	1.0
135.00813	0.5
135.04553	1.9
136.01624	0.8
137.02422	1.2
145.02971	0.5
147.00880	20.3
147.04495	0.4
148.01672	5.9
149.02391	0.8
151.00412	0.7
151.04028	2.3
159.00879	4.9
159.82205	0.3
161.02467	0.8
163.00365	1.4
163.04054	2.2
164.01131	0.7
165.01930	1.0
173.02525	0.4
175.00363	21.2
176.01143	22.3
177.01805	1.9
178.99854	0.8
179.03485	3.7
190.02740	2.2
190.99925	1.5
191.03519	8.0
192.00577	2.2
192.03755	0.4
193.01387	0.5
201.01884	0.4
202.99861	35.7
204.00270	1.6
205.01413	0.8
207.03023	4.1
208.00049	0.4
209.01018	0.5
215.03491	1.0
218.99344	1.3
220.00124	1.4
221.00941	2.8
228.00729	0.9
229.01477	0.6
229.05209	0.4
235.02484	22.1
236.02846	1.4
244.07469	0.9
246.98828	29.2
247.99208	1.9
256.00232	0.4
259.61008	0.3
260.03232	0.5
271.06131	1.3
273.00485	0.5
279.01456	100.0
280.01849	6.1
287.02048	0.4
288.02829	0.6
288.06290	0.4
303.08334	0.3
304.02393	0.3
315.05142	1.1
347.07724	0.9
383.08429	0.4
491.11911	4.4
492.12268	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56590	0.4
59.01374	1.0
65.00329	0.6
68.99817	0.4
70.21543	0.3
70.82207	0.5
75.02376	0.9
91.01900	3.7
93.03490	1.1
95.01392	0.9
95.68368	0.4
103.01891	0.8
107.05035	0.7
108.02172	3.2
109.02944	1.3
119.01404	5.0
119.05013	0.5
121.02951	1.7
123.00923	0.6
123.04502	0.6
124.01649	0.8
131.01396	5.1
133.02956	1.2
135.00983	0.4
135.04533	1.6
136.01715	0.7
137.02457	2.6
140.01224	0.5
145.02895	0.4
147.00880	20.5
147.04529	0.4
148.01701	5.7
149.02438	1.2
151.00333	0.6
151.04007	1.6
153.05617	0.5
159.00865	3.9
161.02420	0.4
163.00366	1.1
163.04013	2.0
164.01138	0.4
165.01907	1.2
174.98108	0.5
175.00360	19.7
176.01141	21.0
177.01730	1.8
178.99849	0.6
179.03513	3.5
185.08949	0.4
190.02727	3.0
190.99887	2.3
191.03510	6.9
192.00627	2.8
193.01387	1.0
202.99860	34.0
204.00201	1.4
205.01376	0.6
207.02982	4.5
209.00949	0.7
215.03551	0.8
218.99342	1.4
220.00151	2.0
221.00887	2.9
227.07127	0.4
228.00755	0.7
229.05035	0.6
235.02480	20.7
236.02802	1.4
244.07303	0.7
246.98822	28.5
247.99225	2.3
271.06113	1.8
279.01456	100.0
280.01791	6.2
287.01779	0.6
288.02890	0.5
303.08768	0.4
315.05182	1.5
331.00998	0.5
332.01581	0.5
347.07602	1.4
367.78647	0.4
459.09332	1.4
491.12057	4.5
491.26776	0.5
492.11996	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1195
Annotation	Burkinabin B
Peak:m/z	Relative Intensity
59.01386	5.9
61.73442	1.2
71.01390	2.0
81.03451	1.3
89.02409	1.0
90.54874	1.1
93.73650	1.3
95.01384	1.3
98.20766	2.5
98.82300	1.3
108.02172	53.0
109.02962	22.7
123.00774	1.2
132.02155	4.8
133.02946	4.3
134.03728	6.7
135.04491	2.1
137.02425	3.4
152.01152	65.0
153.01944	23.8
160.01654	26.3
161.02428	18.7
175.04013	25.3
179.03502	1.8
182.02139	1.4
183.03021	1.2
193.05099	3.7
209.08217	1.8
281.06754	2.1
289.64453	1.7
315.07211	18.0
316.07327	1.9
323.07611	4.4
337.09277	2.3
357.09280	1.2
447.12387	1.9
459.09000	1.7
491.11871	100.0
492.12222	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	491.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	31.1
59.93985	0.6
60.01709	1.7
61.98829	15.4
71.01379	7.8
71.51846	0.7
72.99309	1.8
73.02937	2.8
79.01928	0.8
83.01399	0.9
85.02966	2.3
87.00882	1.1
89.02445	6.1
93.03500	1.1
95.01399	1.5
96.96006	2.3
96.96938	1.3
97.02981	0.7
101.02451	5.1
103.03999	1.4
107.01372	2.2
111.00897	1.4
113.02450	2.8
119.03522	2.5
119.05057	3.7
120.99645	2.6
123.00883	14.1
124.01682	0.9
125.02455	9.2
126.02813	0.8
131.03429	1.0
132.64319	0.7
135.98363	1.6
137.02437	1.9
139.00371	5.0
140.01102	1.2
141.01978	1.9
143.03465	1.0
145.03021	0.9
161.02419	0.9
161.04521	1.9
163.00342	0.7
163.04012	2.6
163.06097	2.8
164.06499	0.7
166.05124	2.5
166.99850	21.3
168.00636	3.7
169.01419	14.1
170.01764	0.8
179.05508	0.7
179.10681	0.7
182.02203	100.0
183.02972	36.1
184.03349	1.2
191.05582	0.9
201.05569	2.3
211.02371	1.0
223.11642	1.4
227.03511	11.3
228.03825	0.9
242.99338	0.7
255.02966	12.7
256.03653	2.5
257.00867	3.0
263.05469	1.2
269.98083	3.2
270.98822	3.5
271.02112	1.1
275.02020	0.8
277.03571	0.8
283.99850	1.8
284.03214	10.7
285.00357	4.1
285.03491	1.5
289.03622	0.7
290.04379	4.3
297.00439	3.6
297.97604	6.8
298.98279	8.0
299.01935	4.2
299.12610	0.9
299.98758	0.9
300.99930	5.0
303.01532	1.3
307.04556	7.0
311.15436	0.9
311.99136	2.7
312.99911	11.5
314.00674	7.3
321.02667	1.0
321.06207	0.7
327.01483	9.2
328.02188	2.1
329.03015	5.7
334.03287	18.6
335.03885	6.4
339.07193	3.1
347.00479	2.0
371.20517	0.8
389.21585	1.1
431.22968	3.4
447.09122	10.8
461.03516	2.0
476.05951	4.4
491.08258	46.7
492.08533	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	491.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71002	1.6
55.01882	2.0
56.77175	1.6
57.03450	2.0
59.01381	48.4
61.98821	6.4
65.00336	2.3
66.28091	1.5
67.01871	1.5
69.03450	1.7
71.01388	19.1
72.99310	3.7
73.02950	8.8
74.02489	2.0
75.00893	3.4
83.01398	5.1
85.02950	8.6
87.00880	3.4
88.98805	1.6
89.02462	11.7
93.03508	2.2
95.01402	3.2
101.02436	12.4
102.02774	1.8
103.00433	2.2
105.01943	8.2
105.03487	2.0
107.01354	10.0
108.77892	1.3
109.02979	1.5
111.00881	2.3
113.02449	8.9
115.01888	1.7
117.03459	7.3
119.03513	4.2
119.05015	2.1
120.03561	1.7
121.02948	5.7
121.83359	1.4
123.00897	7.9
125.02460	32.4
126.02760	1.8
133.02966	8.9
134.03755	1.8
136.98853	1.6
137.02448	2.5
139.00386	13.8
141.01903	2.2
143.03552	1.7
145.02934	20.7
148.01666	6.6
149.02457	18.3
150.03212	3.1
151.00356	2.6
159.04488	2.1
160.01657	5.1
161.02463	22.5
161.04515	3.2
162.03214	4.9
163.00346	3.2
163.03993	7.0
164.01135	1.9
165.01854	2.4
166.02713	1.6
166.99870	5.7
168.00690	2.3
169.01436	41.3
172.01726	1.6
173.02455	8.4
174.03189	7.4
175.03932	1.9
176.01141	5.1
177.01923	12.3
177.05573	2.1
179.03430	2.0
179.05638	2.3
181.08553	1.9
182.02264	19.7
182.99400	1.7
183.02957	9.1
185.02417	2.5
188.01099	2.8
189.01923	20.9
190.02676	10.2
190.99860	1.7
191.03456	3.1
192.00691	1.7
193.01355	4.8
197.91293	1.4
201.01942	5.9
203.03470	4.2
204.00601	10.4
205.01413	35.6
206.02094	6.4
206.99298	2.3
212.83215	1.8
214.99870	3.0
216.00639	14.7
217.01433	29.0
218.02061	5.7
229.01370	4.6
231.02960	2.9
232.00117	7.7
233.00914	32.9
234.01558	4.5
241.10979	1.8
242.99292	2.3
244.00073	2.2
245.00905	22.6
246.01372	2.9
247.02460	2.7
249.04070	9.1
258.98816	3.6
259.06018	3.5
259.99564	3.6
261.00388	8.0
263.01947	3.5
270.98816	3.0
275.01929	4.4
277.03543	82.1
278.03870	3.4
282.63724	1.4
287.05753	2.1
287.18481	1.9
288.99976	3.9
291.01620	1.6
300.99942	16.0
303.01401	13.0
305.03036	3.7
307.04626	2.2
311.10764	1.6
313.05551	2.4
314.11588	2.4
319.00900	5.6
321.02530	100.0
322.02829	7.1
329.13953	4.9
334.03149	4.1
347.00443	54.3
348.00546	3.1
365.01465	31.5
366.01843	3.2
385.11261	2.2
431.22839	4.6
439.04361	1.9
491.04810	4.5
491.12228	3.0
491.18918	29.2
492.19397	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.0
61.98830	100.0
62.98537	0.6
63.99240	1.0
69.40578	0.3
70.61699	0.4
70.62049	1.0
100.93901	0.4
104.83564	0.4
116.06240	0.3
162.98514	0.7
203.02289	1.8
204.00000	9.0
205.00121	6.9
205.99716	7.5
206.97450	46.8
207.97578	2.8
346.01059	0.4
347.01028	2.2
348.00873	4.0
348.98026	7.1
349.02139	1.2
349.98837	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	489.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03446	1.4
58.00595	1.2
58.32369	0.8
59.01383	50.7
59.55235	0.9
61.11623	0.7
61.98829	1.3
69.03451	0.8
71.01387	25.5
71.53209	0.8
72.99313	2.4
73.02975	0.9
74.23209	0.8
83.01405	2.1
85.02950	6.2
87.00867	1.0
89.02455	19.9
93.03462	1.0
95.01399	2.9
97.06596	0.9
99.00874	1.2
101.02455	12.5
111.08158	6.0
113.02467	8.2
119.03526	6.9
124.54984	0.8
125.02444	1.4
136.98994	0.8
137.02438	2.0
138.03256	1.6
143.03499	1.4
153.05586	3.0
161.04570	1.4
169.12378	3.0
171.10255	0.9
179.03400	1.1
183.13870	1.6
197.11829	27.8
198.12173	1.2
199.13503	1.4
211.13466	1.3
223.16959	1.0
225.14999	1.6
251.16560	2.1
263.20172	3.1
291.19724	8.3
309.20712	28.6
310.21109	2.3
314.23389	1.0
327.05002	1.5
327.21713	6.7
371.24170	1.1
414.14749	1.3
457.22461	0.9
489.27133	100.0
490.27542	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	489.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99400	0.5
57.03443	1.3
58.00577	0.9
59.01381	25.6
61.98804	1.7
69.03456	0.8
71.01382	14.4
71.05015	0.7
72.99294	1.6
73.02928	1.7
83.01384	1.0
83.05025	0.7
85.02947	6.8
87.00871	1.2
89.02443	9.0
93.03455	5.6
95.01383	2.2
97.02942	0.9
97.06525	0.5
99.00856	0.6
99.04485	0.7
101.02446	7.5
108.02168	0.8
113.02440	4.9
117.18880	0.5
119.03513	2.8
119.04994	0.5
123.00856	0.5
123.04541	0.7
125.02447	1.3
125.09682	0.9
127.11304	1.0
131.03447	0.7
136.01666	1.6
137.02443	12.4
137.09671	1.3
138.00525	0.5
138.02783	0.6
149.02455	0.6
151.00391	0.5
155.10739	4.2
161.04568	0.8
163.11293	0.7
163.51613	0.5
165.12842	1.0
169.01369	0.9
171.10271	11.8
173.34401	0.5
175.07739	0.6
179.03505	9.3
180.03859	0.6
182.76300	0.5
183.03070	0.6
183.13899	1.4
185.11827	0.7
193.12178	0.6
197.11884	0.8
201.11292	1.2
209.04568	3.5
209.11879	2.0
211.13414	6.4
212.13704	0.6
221.11784	1.1
229.14447	11.8
230.14760	0.8
239.05627	10.9
247.20778	1.0
273.18350	0.6
291.19684	8.1
299.07651	1.7
309.20691	6.8
310.20908	0.7
311.22379	1.6
327.21735	10.1
328.22073	0.6
489.27054	100.0
490.27417	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	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06855	0.6
59.01380	100.0
60.01720	1.0
64.23515	0.6
69.47931	4.6
71.01377	5.2
72.10339	0.8
72.99353	0.6
73.02955	5.0
74.65929	0.7
83.01439	0.8
85.02985	1.6
85.81963	0.7
87.00886	1.1
89.02459	3.9
93.42197	0.6
95.02668	0.6
98.20687	1.3
101.02441	7.8
103.04053	2.1
109.03001	2.1
113.02489	2.2
115.04048	0.8
117.03479	1.6
119.03532	2.0
124.50874	0.6
125.02458	0.9
127.38547	0.6
131.03561	1.2
135.00903	0.7
137.02455	8.4
138.02789	0.8
138.06895	0.7
143.03496	1.5
145.03000	4.4
148.27695	0.6
153.09262	3.8
154.08157	0.7
161.04605	1.3
163.06133	10.1
163.07410	0.8
169.01486	0.9
174.61154	0.8
197.49020	0.6
205.07121	3.4
206.07471	0.7
216.56798	0.7
225.14952	5.2
265.09253	1.3
369.19135	5.9
387.20322	2.6
429.21774	4.9
489.10226	1.2
505.66296	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79094	0.5
59.01379	100.0
60.01724	0.6
67.58665	0.4
71.01382	1.4
73.02969	0.6
85.02962	0.6
88.86182	0.4
89.02468	0.8
101.02491	1.1
101.42748	0.4
107.07622	0.4
113.02455	0.7
125.02443	0.6
161.04706	0.6
169.01463	0.5
174.28340	0.4
179.10773	0.6
227.03577	1.2
229.28644	0.5
249.06419	0.4
255.02991	3.0
269.04666	1.1
283.10101	0.4
284.03329	2.9
285.04007	4.5
286.04337	0.5
297.03952	0.7
300.99860	0.5
326.04251	0.6
377.78201	0.4
387.20380	0.9
406.19608	0.4
429.21451	0.9
489.10101	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	489.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44815	1.9
57.03443	3.4
59.01384	18.3
65.33025	1.6
65.79832	2.0
69.14446	1.7
69.69757	9.7
71.01382	100.0
71.07405	1.7
72.99304	30.0
83.72772	1.8
84.41882	1.7
87.00877	33.7
89.02448	11.0
92.23881	1.9
101.02424	4.5
108.02161	2.5
109.02988	2.4
109.30331	2.0
113.02455	4.0
115.00362	24.4
119.00417	2.1
119.03471	4.2
119.05038	8.4
125.02503	2.9
129.01952	8.4
131.03487	2.0
137.02454	6.9
147.02995	92.2
147.06654	7.7
151.03970	2.1
163.03999	5.6
169.01292	2.4
179.05614	7.6
203.03427	1.8
211.07617	8.7
237.09206	3.7
239.10730	3.3
307.04214	2.0
337.07660	2.4
341.10938	28.5
402.35541	1.9
428.19250	2.4
489.13882	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	489.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.3
59.01358	3.2
61.98795	1.0
67.94453	1.0
68.99799	2.6
71.01392	4.6
71.50315	1.2
73.02924	1.3
75.00848	1.8
83.01360	2.6
85.02949	7.6
87.00840	3.2
93.03395	1.5
95.01350	1.6
96.95988	1.0
99.00877	5.6
101.02414	2.7
107.01382	1.8
108.02183	1.1
109.02907	1.5
111.00846	1.0
113.02435	8.5
113.98870	1.0
113.99597	15.7
115.00393	8.4
119.04973	4.2
123.00861	1.6
123.04498	1.2
125.02425	5.2
127.00342	3.9
129.01889	4.1
132.54422	1.1
137.02435	22.0
138.02792	1.4
139.00348	2.3
151.04025	8.0
152.01096	1.1
156.00565	1.9
157.01445	6.3
161.02411	1.1
163.04068	2.2
169.01413	8.2
174.01694	15.2
175.02336	2.4
211.02318	1.8
211.07565	4.2
237.09384	1.1
239.10741	0.9
277.05624	33.4
278.05942	1.3
315.07080	1.6
319.06531	1.7
337.07748	100.0
338.08017	5.2
429.06641	2.5
460.20660	1.1
471.07874	1.3
489.08551	56.9
490.08890	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	487.3428
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
59.01371	0.7
61.53741	0.2
69.95723	0.8
71.05017	0.9
81.26020	0.3
98.20703	0.3
109.68058	0.3
133.56503	0.3
137.04488	0.2
183.02992	3.2
258.78723	0.3
287.33090	0.3
329.18152	0.3
335.03998	0.5
377.28473	0.3
405.31570	0.5
407.33090	1.9
408.33139	0.3
423.32697	0.7
425.34344	1.7
427.32227	1.8
439.32687	0.4
443.35297	0.8
455.31479	0.6
469.33215	14.4
470.33603	2.0
487.34293	100.0
488.34637	14.0
513.32330	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08485	0.8
59.01378	46.8
63.58666	0.7
69.19469	7.4
71.01374	2.2
74.37426	0.7
85.02931	1.3
86.91146	0.8
87.00844	0.7
89.02417	1.1
91.22594	0.8
93.03454	2.1
98.19855	1.6
101.02447	1.5
107.01393	1.6
125.02481	1.7
144.16940	0.8
151.00343	3.2
159.04562	0.9
162.05583	1.2
163.00449	1.3
169.01421	1.1
173.04907	0.9
178.99918	1.0
183.02943	0.8
183.04544	1.2
187.04042	1.5
191.05653	1.4
206.04488	0.9
211.03972	2.1
213.05592	1.1
227.03491	60.7
228.03854	3.1
229.04930	4.1
239.03476	1.1
255.02974	79.6
256.03592	10.1
257.04520	2.4
269.04633	1.2
284.03256	45.1
285.04016	61.1
286.04419	4.3
326.04373	0.9
368.08099	1.4
379.39655	0.8
488.11966	100.0
489.12106	13.9
489.19510	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	487.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01709	1.4
64.82444	0.6
69.05897	0.6
71.01379	4.3
71.51738	0.9
73.02958	2.8
75.00874	1.1
83.01405	1.0
85.14050	0.6
89.02454	1.9
93.03499	0.7
98.99075	0.7
101.02449	4.5
102.98622	0.8
113.02460	1.4
119.05052	4.1
125.02463	2.2
132.19379	0.6
133.02983	2.4
135.04546	1.8
137.09700	1.2
140.01266	0.7
151.00391	0.8
161.02469	5.3
161.04570	1.1
163.04079	2.6
163.11223	0.6
168.00714	0.9
169.01401	1.4
179.03516	1.4
183.02980	14.1
202.77640	0.6
203.10812	4.6
205.12347	3.8
209.11887	0.9
221.04594	0.7
237.09534	4.4
271.52179	0.6
283.04977	0.8
313.06332	0.7
323.07697	5.2
335.04144	2.3
335.17175	1.8
389.50958	0.6
401.51721	0.7
408.57181	0.6
487.12421	1.7
487.18805	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	487.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01745	1.5
61.98826	1.9
69.03443	1.9
71.01379	15.0
71.51291	1.9
73.02947	5.4
74.14799	1.4
74.39173	1.3
81.20712	1.1
83.01411	2.1
85.02964	6.3
89.02441	3.6
95.01402	2.1
96.95998	2.8
96.96944	2.7
97.02965	1.3
98.95596	3.3
99.00876	2.9
101.02432	7.6
108.02172	4.4
109.02958	3.4
111.04503	1.6
113.02417	7.4
115.00385	2.5
115.92071	5.0
116.92894	2.8
119.03539	1.4
119.05030	2.1
121.02978	10.9
123.00906	5.3
125.02448	13.2
135.04530	1.8
138.06801	3.4
139.00369	2.0
143.51439	1.3
151.00438	1.3
151.07652	3.4
152.01141	3.7
152.08427	9.3
153.01866	2.1
153.09215	20.1
161.04558	2.0
161.05902	1.3
163.04019	2.8
168.00638	2.7
169.01440	14.1
173.20207	1.3
181.05074	1.5
183.02919	1.4
205.12288	8.4
211.02493	3.7
219.13876	1.9
221.11804	3.5
223.13362	4.6
271.04544	6.2
281.14038	1.8
300.99698	1.7
367.17563	21.7
368.17990	2.9
385.18539	3.4
427.19742	6.9
487.18475	28.8
488.18179	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	487.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77395	0.4
59.01381	100.0
59.65987	0.5
60.01719	1.1
61.43599	0.4
61.79780	0.4
61.98835	1.1
69.25201	2.9
69.25617	1.4
71.01389	1.7
73.02951	1.0
85.02956	0.6
88.46902	0.5
89.02468	1.1
95.01411	0.5
101.02448	1.5
111.00929	0.4
113.02431	0.6
123.00920	0.8
125.02453	2.8
134.35527	0.5
135.04533	3.3
135.16444	0.5
139.00389	0.5
151.00381	0.6
161.04555	0.5
168.00671	0.9
168.10460	0.5
169.01411	4.4
179.03496	3.3
183.02982	12.0
218.68134	0.6
307.08179	0.6
335.04141	1.4
356.03995	0.5
385.18811	0.7
487.18622	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	487.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.2
59.01381	49.3
61.98822	1.4
62.30082	1.2
71.01378	14.5
72.99306	1.3
73.02940	5.5
81.03401	1.2
83.01374	3.2
85.02939	3.5
87.00825	1.2
89.02443	6.0
93.03448	1.1
95.01380	2.4
97.02978	1.2
101.02444	11.6
107.01373	2.5
111.00858	2.8
113.02421	4.6
115.03981	1.9
118.44237	0.9
119.03469	2.8
119.05025	17.5
120.35504	1.1
121.02943	3.4
123.00895	15.3
125.02441	20.3
133.02930	8.5
135.04526	11.1
136.98859	1.2
139.00371	5.6
140.01094	2.9
151.00398	11.4
153.01971	1.6
155.10745	3.0
161.02429	22.2
161.04440	2.1
162.02750	1.9
163.03917	5.2
163.11185	1.9
168.00592	3.2
169.01410	13.2
173.04599	1.0
173.10489	1.5
173.11833	22.1
174.12119	1.0
179.03439	8.5
179.05554	1.7
179.10632	1.6
183.02953	4.9
187.11241	2.9
187.13298	1.6
191.05577	2.6
205.12242	3.2
210.77089	1.0
211.02393	1.2
221.04524	1.0
223.13350	2.9
240.84143	1.0
242.62717	1.0
285.04062	1.1
287.05597	2.3
308.09750	1.3
323.07767	8.1
325.12933	3.5
335.17123	45.4
336.17337	4.8
354.37381	1.3
463.72592	1.1
469.17371	2.3
487.12323	9.9
487.18158	100.0
488.12436	2.3
488.18588	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	487.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73864	1.2
59.01379	50.7
67.01880	1.3
71.01067	1.5
71.01390	18.1
72.99277	1.5
73.02950	6.0
74.99104	1.2
78.75553	1.5
79.01869	1.9
83.01379	3.0
85.02951	6.4
86.72810	1.2
87.00870	2.0
89.02444	7.0
93.03448	2.0
95.01389	2.7
95.76061	1.1
97.02961	1.1
101.02449	9.0
107.01372	4.1
111.00844	2.1
111.04485	2.2
113.02443	5.6
115.03949	1.8
119.03481	3.8
119.05025	15.1
120.05359	1.5
121.02916	3.6
123.00892	16.4
125.02444	20.3
127.11301	2.0
128.45410	1.2
133.02933	7.5
135.04535	13.6
139.00352	4.7
139.23871	1.4
140.01135	2.2
146.50076	1.2
151.00368	13.4
155.10719	3.4
156.98177	1.5
161.02454	29.7
161.04512	2.6
162.02751	2.0
163.03989	5.4
163.11263	3.9
165.09146	1.2
168.00594	2.9
169.01411	13.8
173.11813	23.6
179.02144	1.5
179.03465	9.1
183.02972	3.7
187.11305	3.2
189.42484	1.2
191.05577	1.5
196.51259	1.2
203.05504	1.4
205.12309	2.2
211.02351	1.3
223.13344	1.6
249.60365	1.5
259.26321	1.3
263.11313	1.6
285.03946	1.3
287.05655	2.4
288.06082	1.3
323.07758	9.1
325.12772	4.8
335.17105	55.6
336.17334	3.0
384.20041	1.4
462.87454	1.3
469.16922	2.1
487.12225	12.3
487.18155	100.0
488.12103	2.6
488.18253	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	487.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16521	0.9
58.00605	1.1
59.01377	62.6
69.03448	2.8
69.79905	2.9
69.80298	2.1
69.95852	1.0
71.01384	25.3
72.99314	2.5
73.02952	12.2
80.24140	1.0
81.03454	3.2
83.01383	2.8
85.02941	10.6
87.00839	2.0
89.02443	17.2
93.03461	2.4
94.54159	1.0
95.01351	1.2
97.02928	4.5
99.00871	1.5
101.02443	25.1
103.04008	14.2
111.08186	1.4
113.02437	2.0
119.03488	10.2
119.05025	100.0
120.05335	3.2
123.00808	1.4
125.02442	24.6
127.03980	2.3
143.03510	3.2
145.05049	4.0
155.50696	1.2
163.06119	22.2
169.01404	3.6
173.08116	1.4
177.53786	1.0
183.03006	4.7
203.10767	2.4
205.07143	1.5
209.11777	1.9
226.06331	1.5
237.09523	4.4
241.08722	2.4
247.08189	4.6
285.94247	1.1
307.10339	21.9
308.10632	1.3
335.12802	1.2
335.51297	1.1
350.06277	1.1
361.49686	1.0
453.13647	1.1
487.19080	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	487.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
59.01106	0.7
59.01373	7.9
61.98832	0.8
63.91154	0.5
64.71059	0.5
67.19171	0.5
69.32382	1.8
69.32811	2.6
71.01380	4.6
72.99299	1.0
73.02937	1.2
79.81846	0.5
80.96506	0.9
83.01382	1.0
85.02973	1.4
87.00877	0.6
89.02449	3.7
95.01376	1.0
96.96012	1.0
97.02910	0.7
101.02439	4.2
107.01397	3.2
108.02175	1.8
111.00862	2.0
111.08162	2.3
113.02416	1.6
117.03458	3.3
119.03518	1.3
119.05021	8.2
121.02933	0.7
123.00854	2.8
124.01697	1.7
125.02444	21.7
126.02802	0.7
133.05075	0.8
136.98810	1.7
137.02405	0.6
139.00375	2.5
139.04008	0.7
140.01183	2.4
145.02948	14.5
146.03329	1.0
151.00339	2.1
152.01103	1.0
153.01944	0.5
155.07120	0.9
156.00047	0.5
163.04012	8.6
165.01894	0.9
165.09184	0.7
167.03528	1.2
168.00642	11.3
169.01418	29.7
170.01764	1.1
179.05603	0.8
191.05582	0.9
203.03513	0.6
209.08200	1.9
211.02469	53.8
212.02873	2.7
221.34723	0.5
235.06100	1.1
241.03635	1.2
265.14438	1.1
271.04578	100.0
272.04916	5.2
287.05441	0.7
307.08221	1.7
331.06708	22.1
331.72366	0.6
332.07178	1.2
335.13464	0.8
341.10883	1.1
353.11935	0.6
371.13358	0.6
443.15698	0.6
487.14456	15.9
488.14706	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32237	0.9
59.01389	14.5
61.98840	1.2
64.20186	0.9
71.01383	10.3
72.99288	1.7
73.02924	2.3
83.01405	1.9
85.02951	2.3
89.02445	12.1
96.95982	1.3
97.03008	1.6
98.95567	1.1
99.00871	2.1
99.92628	1.0
101.02469	6.9
113.02395	1.8
117.03468	7.7
119.03539	1.3
119.05022	9.0
123.00900	2.0
124.01733	2.4
125.02446	9.9
129.01912	1.1
131.03516	9.8
132.02180	18.5
134.03748	46.0
137.02454	1.3
145.01880	2.2
145.02957	26.6
147.04506	1.5
149.04555	3.0
149.06067	4.6
149.99611	3.4
151.00368	1.4
158.81517	1.0
160.01662	77.5
161.01970	2.6
163.03993	8.5
168.00620	7.3
169.01489	5.8
174.03246	1.0
175.04005	90.0
176.04483	4.8
191.05554	3.6
191.07225	2.8
193.05066	100.0
194.05368	4.4
202.02707	2.2
211.02507	3.5
217.05025	6.7
233.26549	1.1
235.06105	6.1
258.31641	1.2
259.06018	1.3
271.04678	6.4
279.55182	1.3
287.05563	1.7
293.63211	1.1
307.08167	3.6
331.06735	1.6
335.13281	1.6
341.34756	1.2
487.14432	24.5
488.15091	2.9
499.77945	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21433	0.4
55.01879	0.5
59.01376	7.7
59.01646	0.6
61.98813	1.0
69.03459	0.7
71.01375	3.3
71.51639	0.5
72.99300	0.9
73.02966	0.6
79.01910	0.4
83.01429	0.5
85.02956	1.2
89.02454	2.5
92.13921	0.5
96.96033	0.7
97.02976	0.7
98.99100	0.8
101.02460	1.8
107.01376	3.0
109.03010	0.4
111.00914	2.1
111.08179	2.7
113.02447	1.3
119.03520	0.8
121.02958	0.9
121.06548	0.5
122.16311	0.4
123.00878	2.6
124.01605	2.1
125.02446	20.2
126.02820	0.9
127.00400	0.7
130.32652	0.5
136.98834	1.8
137.09688	0.6
137.26283	0.4
139.00392	1.8
139.04027	0.5
140.01195	2.6
141.01984	0.6
145.02989	0.6
151.00381	1.7
155.07135	1.3
163.03926	0.6
165.01996	0.5
167.03470	1.3
168.00641	13.4
169.01421	28.6
170.01787	1.1
179.05713	0.6
183.03047	0.5
193.05168	0.5
203.10736	2.4
211.02483	55.0
212.02838	2.4
237.09550	2.4
241.03548	0.8
271.04587	100.0
272.04913	5.4
296.84412	0.4
325.12543	0.5
331.06732	22.8
332.07144	1.0
372.46021	0.5
434.66766	0.5
487.14459	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	487.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15037	0.8
59.01372	3.0
61.98809	0.8
63.50186	0.9
69.03439	1.0
71.01375	3.9
71.51039	1.4
73.02943	0.8
81.03476	1.6
83.01378	2.0
83.05024	1.1
89.02415	1.0
89.85827	0.7
91.01885	1.5
93.03459	6.6
95.01352	1.0
96.96008	1.0
101.02416	1.1
107.01378	3.9
109.02946	5.7
111.00868	2.3
111.04520	7.7
119.05010	1.6
121.02980	1.4
122.03703	1.4
123.00890	6.4
123.04525	10.6
124.96719	0.9
125.02436	15.8
126.02753	0.9
135.00908	4.9
137.02441	100.0
138.02760	3.7
139.00343	2.4
147.74857	1.0
151.00455	4.2
151.04010	38.1
152.04376	1.7
153.01932	1.6
155.03459	3.3
161.02448	1.1
163.04005	1.3
167.03468	2.2
168.00607	2.4
169.01414	23.5
173.04509	2.7
179.03496	1.4
193.01360	1.1
211.02483	5.2
271.04556	2.0
286.63544	0.9
297.09219	0.8
299.07724	9.6
307.04507	1.2
313.05618	3.1
325.05533	2.6
331.06696	11.9
425.38492	1.0
451.08368	2.0
469.09851	9.8
470.10193	1.3
487.10599	16.0
488.11322	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	487.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.0
65.89261	1.1
67.01884	2.5
69.03453	2.5
69.96637	3.8
71.01379	9.8
72.99274	1.4
73.02939	5.3
79.01906	2.4
80.92403	1.0
81.03463	2.8
82.44167	1.1
83.01386	6.0
83.05035	6.8
85.02941	3.8
87.00883	1.4
89.02450	3.0
93.03463	19.4
95.01370	3.1
97.02943	2.8
99.00888	1.9
99.04510	1.7
101.02441	5.4
107.01400	12.5
107.05045	1.4
109.02968	6.1
111.00139	1.1
111.00864	6.0
111.04518	30.3
113.02429	3.6
121.03008	1.3
123.00881	33.0
123.04527	1.2
124.01703	1.6
125.02447	53.6
125.05991	1.6
135.04492	3.4
137.02478	8.2
139.00368	7.8
140.01178	1.9
141.01936	3.9
149.02449	1.2
151.00369	19.9
151.04018	2.9
153.01915	4.0
153.05553	1.7
155.03496	16.9
168.00597	4.5
169.01424	100.0
170.01741	3.0
173.04547	9.5
179.03499	2.0
183.02986	2.1
193.01372	1.7
197.04530	3.8
211.02475	19.2
253.03572	2.6
271.04578	4.2
307.04895	2.0
310.19223	1.4
313.05618	10.0
325.05734	1.4
331.06696	52.3
332.07077	5.1
367.06635	1.3
409.08081	1.6
451.08731	7.1
469.09869	54.8
470.10104	4.0
487.10886	52.9
488.11240	5.7
513.32806	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
60.84977	0.4
65.00309	0.4
66.07687	0.4
69.48675	2.5
86.04920	0.3
101.83449	0.3
109.80777	0.3
111.00871	1.2
124.01636	1.7
127.00387	0.6
136.98822	0.7
139.00339	1.8
140.01140	2.6
151.00310	0.5
168.00624	5.9
183.02972	100.0
184.03337	3.8
217.30597	0.3
335.04071	15.2
336.04385	1.3
404.60968	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10089	0.7
68.01409	0.8
69.42793	5.1
74.02482	7.3
82.02985	67.7
83.03358	1.0
98.19897	1.3
100.04068	2.7
126.01979	4.8
144.03026	100.0
145.03337	2.4
145.06184	3.7
182.41832	0.7
196.39513	0.6
305.37030	0.7
334.80524	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18257	0.6
69.78322	3.3
88.04039	55.4
89.04382	0.7
147.08162	2.7
149.09738	1.6
163.11250	3.7
183.02902	0.9
187.11266	1.7
192.40860	0.7
206.15437	1.0
265.32922	0.7
279.13852	0.9
280.14676	1.2
309.22192	2.1
321.18677	0.7
322.19229	0.8
337.21710	100.0
338.22049	10.5
486.26859	11.7
487.27405	1.9
487.34018	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91637	2.3
61.98836	100.0
69.63247	2.4
71.13870	5.4
83.20541	2.2
100.42764	2.3
114.68355	2.5
177.57188	2.5
183.03046	2.7
423.29105	5.7
449.83447	2.6
470.25778	3.6
486.28629	29.4
487.28918	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	486.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82625	1.3
61.98831	100.0
71.49840	1.9
94.04240	1.2
94.98412	1.3
104.55697	1.4
117.34869	1.4
176.11069	1.4
183.02939	2.1
268.67441	1.5
271.21664	1.4
275.83441	1.7
312.00482	1.5
382.46820	1.4
470.25970	1.6
486.28403	5.9
487.34515	1.5
503.97699	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	485.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	0.7
59.01380	10.9
61.98830	8.7
63.99697	0.4
67.01888	1.3
68.99815	0.6
69.03448	0.9
71.01379	6.4
72.99335	1.0
79.01888	1.1
81.03449	0.6
83.01386	1.9
84.94411	0.5
85.02950	2.1
87.00885	0.6
89.02428	2.4
95.01397	2.2
97.02969	1.1
98.19847	0.9
98.63478	0.4
101.02419	2.2
107.01383	7.6
111.00887	2.8
113.02461	2.5
117.05553	0.7
123.00888	14.5
124.01662	2.6
125.02446	36.7
126.02810	0.9
127.00356	1.4
136.98776	2.9
137.02345	0.5
139.00378	6.0
139.03981	0.7
140.01166	5.4
141.01906	1.5
151.00377	6.4
153.01984	0.9
165.01866	1.1
167.03477	2.0
168.00642	14.6
169.01431	55.6
170.01762	1.9
183.02966	1.7
211.02477	67.1
212.02838	2.4
229.23695	0.7
241.03561	1.9
271.04575	87.3
272.04974	4.8
300.14133	0.5
331.06723	7.6
401.33325	0.4
441.21371	1.2
485.20258	100.0
486.20581	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	485.2545
Annotation	Withametelin J
Peak:m/z	Relative Intensity
61.98837	1.1
62.96398	0.6
81.56733	0.6
113.06395	0.7
134.93109	0.6
142.50502	0.6
159.04535	0.7
160.05257	0.6
177.01913	0.9
197.38074	0.6
202.02635	0.7
204.04152	1.5
214.02704	1.2
215.03502	2.1
216.04236	1.7
229.01453	1.0
232.03638	1.4
236.03154	0.7
242.02068	1.9
243.02954	1.7
243.21298	0.6
244.03836	0.7
259.02377	1.4
270.01688	0.9
271.02316	2.7
274.01071	2.4
284.03162	0.9
287.01947	1.7
288.02759	6.7
307.92798	0.7
439.24527	1.3
467.23959	1.8
470.26199	0.9
485.25333	100.0
486.25571	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	485.2029
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
55.01850	0.5
59.01381	10.0
61.98834	6.6
67.01879	1.1
69.29896	0.5
71.01382	5.2
71.52160	0.8
72.99301	0.8
73.02938	1.0
79.01894	1.1
83.01375	1.1
85.02950	2.5
87.00849	0.7
89.02435	2.6
93.29701	0.5
95.01383	1.9
101.02438	2.2
107.01387	6.0
108.02193	1.3
109.02956	1.3
111.00893	3.9
113.02467	1.4
119.03475	0.5
123.00887	10.4
124.01647	2.5
125.02450	30.3
126.02777	0.9
127.00337	1.2
128.03539	0.5
136.98824	2.7
137.02513	0.6
139.00340	4.1
140.01176	5.1
141.01906	1.4
143.97540	0.6
149.02469	0.5
151.00372	5.7
152.01001	0.8
153.01897	0.6
165.01985	0.7
167.03493	1.8
168.00644	12.0
169.01424	46.2
170.01743	1.4
183.02974	1.2
209.11830	0.6
211.02478	51.0
212.02826	2.0
218.35832	0.4
241.03514	1.2
243.60786	0.5
271.04584	55.6
272.04953	2.5
313.05878	0.8
331.06750	4.3
393.15515	1.1
411.16193	0.7
419.09308	0.5
453.17673	0.6
485.20300	100.0
486.20575	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	485.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67887	2.9
59.01393	3.2
71.01384	6.2
71.49578	6.3
95.01390	3.7
96.96012	6.0
107.50520	2.9
108.02182	61.7
109.02988	20.9
125.02451	36.0
144.03070	4.4
152.01158	52.2
153.01909	19.8
169.01413	58.7
199.45314	3.4
247.02570	6.2
287.05511	6.1
315.07199	100.0
331.06888	4.3
392.19058	3.1
428.09952	3.4
457.17715	3.3
485.09564	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	485.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70053	0.5
55.01876	1.0
56.33591	0.5
57.03437	0.9
58.00584	0.7
59.01378	20.3
62.87643	0.5
71.01382	23.4
72.99308	1.5
73.02948	7.2
82.95420	0.8
83.01385	2.3
85.02952	7.5
86.00092	1.5
87.00882	5.8
89.02441	11.1
94.59602	0.6
95.01375	2.0
95.34270	0.5
98.19915	2.3
99.00878	1.7
101.02439	16.2
105.29756	0.5
107.01376	1.8
113.02444	8.6
114.02811	0.6
115.79859	0.6
119.03510	4.0
123.00902	1.2
125.02460	7.1
129.27785	0.5
131.03482	6.1
143.03464	1.4
145.07697	1.5
146.04858	1.1
149.04512	0.5
159.02965	1.8
160.06416	7.7
161.04546	6.7
161.07202	70.3
162.07518	3.1
168.00529	0.6
169.01425	9.9
170.01822	1.2
175.08757	24.9
176.09177	0.9
179.05711	0.5
187.08737	2.8
189.06693	93.3
190.07031	4.3
191.05594	0.8
201.10490	0.8
203.08247	22.5
204.08611	0.9
211.02434	0.6
221.06660	8.8
229.09789	2.6
229.95055	0.7
231.07744	0.6
271.04391	0.6
275.02054	0.7
277.11926	0.7
291.64310	0.5
300.99857	4.1
302.00079	0.9
305.11380	12.5
306.11801	0.7
323.12454	2.4
344.73145	0.7
457.17953	0.8
467.16766	2.7
470.72385	0.5
485.17767	100.0
486.18115	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	484.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15441	2.3
58.02977	13.7
59.01376	8.9
61.98827	9.7
63.71672	2.6
69.24721	14.5
69.25130	6.7
71.01389	5.4
74.02479	25.9
75.42207	2.4
82.02989	4.8
85.02922	2.7
86.02498	12.2
87.05653	7.0
88.04703	2.6
91.52985	2.5
96.96024	5.0
97.04086	2.7
98.20721	4.8
99.05652	26.8
101.02474	2.6
101.07207	6.2
102.05597	2.4
105.44964	2.2
107.01341	3.8
109.04097	4.7
112.03974	2.6
113.02476	3.6
118.19601	3.0
123.00870	5.8
123.08141	3.0
125.02444	11.4
125.03597	2.3
127.05103	4.6
128.03560	82.7
128.05499	3.0
129.03896	3.3
130.39273	2.5
134.59515	2.6
135.05614	9.5
141.06705	3.8
143.04630	100.0
145.06190	5.1
146.04601	6.9
151.00346	4.0
153.05540	2.4
153.06682	7.1
160.00725	26.7
166.09811	3.2
166.51247	2.6
167.04593	9.3
167.08214	5.2
168.00681	3.5
169.01422	14.0
177.03374	7.6
179.04607	26.5
181.06190	4.7
184.10866	3.1
185.05548	3.1
197.05667	4.1
210.08862	19.6
213.36354	2.5
228.09853	3.4
254.07841	32.2
272.08902	45.1
288.06577	18.3
306.04120	5.1
306.07648	99.4
307.08041	6.3
332.12607	2.9
404.18414	2.4
484.13086	3.9
484.19095	31.3
485.19604	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	485.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54435	1.2
59.01381	2.1
65.03976	1.3
66.94811	1.1
69.93292	2.7
69.93682	3.0
70.45407	1.3
71.01380	1.5
82.25596	1.2
89.41867	1.5
91.01884	2.0
98.19989	1.6
107.01400	2.0
108.02175	2.0
109.02953	26.1
121.02942	3.3
123.00886	3.1
123.04544	6.8
125.02435	9.7
126.02749	1.6
135.00903	13.7
137.02466	5.3
139.04050	3.2
149.02435	13.9
151.03993	4.6
153.01958	2.3
160.01656	1.9
163.00378	23.5
165.01894	3.1
169.01405	11.1
170.01747	2.8
177.01982	2.6
192.44984	1.2
201.05646	2.0
211.02542	1.5
213.03008	1.3
224.04759	3.0
225.05562	7.1
226.05934	1.1
259.06107	15.3
268.03671	2.8
269.04541	27.9
270.04807	1.5
271.04520	2.2
287.05612	100.0
288.05951	7.5
292.20914	1.3
295.07819	1.3
300.99945	2.9
333.07297	1.4
384.54114	1.2
485.08038	6.9
513.92535	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16308	0.3
64.29778	0.3
69.69447	1.2
69.69855	0.5
78.95902	8.8
96.96935	1.0
111.74554	0.3
123.78483	0.3
128.42226	0.3
152.99580	16.0
153.99854	0.4
171.00638	1.2
205.88109	0.3
208.58409	0.3
227.03265	3.7
245.04372	1.6
246.04657	0.3
255.23274	100.0
256.23624	8.0
315.74408	0.3
462.25247	0.3
483.27237	28.6
484.27612	3.7
507.78323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37520	1.3
52.19550	1.2
53.46098	1.3
57.66930	1.4
58.02972	14.0
59.01378	7.3
59.09799	1.4
61.21238	1.2
61.98820	4.6
66.03477	1.9
69.22865	11.2
70.02977	2.4
71.01377	4.8
72.00911	2.6
72.28307	1.3
74.02470	28.6
82.02992	2.9
84.04538	1.8
85.02949	2.9
85.04089	1.5
86.02476	12.6
86.99126	1.8
87.05636	9.4
88.04031	2.2
89.02422	2.3
90.00199	2.5
95.01374	3.3
96.95994	7.2
97.04061	2.4
98.19856	3.0
99.05648	20.9
101.02453	3.1
101.07195	4.9
102.05613	3.6
109.04080	4.8
111.00868	2.6
111.05630	2.7
112.04043	2.0
114.83170	1.3
116.01796	1.5
123.00897	10.3
123.05629	3.4
123.08170	2.1
124.01173	2.4
124.04032	1.7
125.02452	13.5
125.03483	3.2
126.02789	3.2
127.05155	5.1
128.03539	66.4
129.03871	2.3
135.05650	8.5
136.98874	1.4
137.07172	1.4
139.00372	4.7
140.01158	4.0
141.01678	1.7
141.06703	6.8
143.04623	95.3
144.04994	3.6
145.06219	2.8
146.04585	9.6
149.07268	1.3
151.00369	6.6
152.00740	2.1
153.06705	6.6
158.08778	1.5
160.00735	30.4
166.09834	4.1
167.04645	6.4
167.08269	2.8
168.00638	2.9
169.01421	15.3
170.01773	4.9
171.03981	1.6
177.03424	10.5
179.04634	21.4
181.06262	2.8
185.05690	5.0
192.07896	1.5
197.05696	2.8
210.08847	18.3
242.07892	2.0
254.07811	35.3
255.08168	2.0
272.08884	50.5
288.06564	17.0
291.51395	1.5
306.07635	100.0
307.08029	5.9
332.12540	2.2
355.92407	1.2
393.15277	1.5
404.17834	6.3
451.28116	1.6
484.13486	6.4
484.19165	71.7
485.13641	2.5
485.19824	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	483.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36139	1.4
55.01870	3.8
57.03429	1.8
59.01377	67.2
61.98836	2.7
63.26967	1.4
71.01378	29.7
73.02950	10.4
75.78935	1.2
78.95902	1.6
83.01380	7.3
85.02949	19.9
89.02443	3.9
95.01357	3.0
97.02969	1.8
99.00891	5.8
101.02442	37.4
109.50322	1.4
111.00879	3.2
113.02448	17.4
114.46517	1.5
123.00886	2.8
124.01673	2.2
125.02419	8.1
131.03493	32.1
136.98915	1.6
139.00414	2.2
140.01157	5.1
143.03514	2.3
152.99635	1.8
159.02962	2.4
161.04541	12.8
168.00644	4.7
169.01360	8.0
245.59386	1.5
291.18137	100.0
292.18466	8.2
313.05780	1.6
323.75589	1.4
407.19049	1.4
423.22290	16.6
483.08035	1.9
483.18640	26.9
484.19208	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.3
58.84662	1.5
59.01381	67.6
59.33895	1.7
61.98822	5.4
63.67629	1.4
69.58174	7.1
69.58593	3.2
71.01382	27.9
72.99307	1.8
73.02944	9.9
83.01378	6.5
85.02955	17.9
89.02445	3.7
95.01385	2.6
98.96333	1.5
99.00828	3.9
101.02449	36.2
107.01365	2.5
111.04501	1.6
113.02447	12.2
123.00848	1.8
125.02471	8.0
125.90270	1.6
131.03503	40.1
141.92130	1.6
143.03494	1.8
143.04521	1.6
151.00365	1.7
153.44240	1.6
159.03023	2.3
161.04550	10.4
166.82310	1.6
169.01404	6.4
169.35419	1.5
224.06712	2.0
271.02487	2.4
291.18137	100.0
292.18436	7.1
299.01938	6.4
306.07651	2.0
331.06693	1.9
397.67230	1.8
423.22318	15.1
424.22278	2.3
483.18845	8.3
483.33102	3.2
484.19919	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	483.2388
Annotation	Angeloyl-(+)-gomisin K3
Peak:m/z	Relative Intensity
60.38115	1.2
61.98808	1.5
70.72620	4.4
70.89571	1.3
97.83532	1.3
111.47102	1.2
120.51524	1.2
159.04567	2.0
174.03253	4.2
184.93633	1.4
186.03273	2.3
188.04784	4.9
197.48904	1.5
201.05450	3.2
212.88417	1.4
214.06618	1.9
214.20616	1.5
215.07033	1.4
244.00163	2.8
258.01700	3.6
355.26334	3.9
383.25885	25.1
384.26050	3.2
447.60370	1.3
455.24432	51.8
456.24579	6.7
483.23898	100.0
484.24179	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	483.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	62.1
61.65501	9.0
61.98819	19.8
67.13946	6.8
71.01387	24.3
71.07996	7.1
78.95910	41.8
85.02966	9.9
89.02426	22.4
96.95999	18.7
99.05665	7.4
101.02442	26.3
105.18951	7.7
113.02419	11.7
123.00850	15.1
125.02424	28.5
128.03526	25.2
131.03557	8.4
134.66522	7.1
143.04594	30.5
149.04550	15.6
152.99583	60.9
160.00797	8.5
163.62108	7.1
167.15964	9.0
168.00618	17.4
169.01411	31.7
254.07770	11.3
272.08813	12.3
288.06378	11.2
291.18265	13.3
306.07590	26.2
331.12146	19.1
403.17612	8.1
465.03641	8.8
483.13165	12.0
483.18628	100.0
484.19168	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	483.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01105	0.5
59.01377	6.5
61.98831	2.3
64.49112	0.3
67.01873	1.2
68.99809	0.4
69.03443	0.9
69.29234	3.2
69.29568	0.6
71.01379	4.5
72.99288	0.9
73.02930	1.1
75.00877	0.4
79.01893	1.0
83.01382	1.2
85.02939	1.5
87.00873	0.7
89.02435	1.8
92.37198	0.4
95.01398	2.0
97.02911	0.5
99.00883	0.4
101.02422	2.6
107.01382	5.3
108.02187	1.7
109.02943	1.2
110.00111	0.6
111.00878	2.9
113.02452	1.6
116.15742	0.3
123.00887	12.5
123.04482	0.4
124.01667	1.4
125.02448	22.3
127.00347	1.1
131.15323	0.3
136.63336	0.3
136.98792	1.8
137.02443	0.8
139.00374	6.2
140.01149	4.5
141.01891	1.4
145.06160	0.3
151.00377	8.8
152.01022	1.0
153.01944	1.0
153.05510	0.7
154.99973	0.4
163.04057	0.7
167.03525	0.6
168.00650	6.6
169.01422	30.2
170.01749	1.0
177.04044	0.6
183.02904	0.5
194.62241	0.3
197.61241	0.4
211.00444	0.8
211.02467	17.5
212.02788	0.6
241.03682	0.4
271.04581	17.1
271.07571	0.9
272.05017	0.8
300.99918	0.6
305.13998	0.7
308.28064	0.4
313.05759	2.0
321.13095	0.6
331.06592	1.4
483.18701	100.0
484.19061	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	483.1875
Annotation	Globulusin A
Peak:m/z	Relative Intensity
55.01870	0.5
55.48182	0.3
57.03432	0.4
59.01382	3.8
61.98829	1.4
65.00306	0.4
67.01892	0.7
69.03458	0.5
71.01389	3.6
72.99316	0.8
73.02940	1.0
79.01900	1.0
83.01376	1.2
85.02960	1.5
85.15765	0.3
87.00870	0.4
89.02447	1.0
93.03432	0.3
95.01384	1.9
97.02985	0.7
98.19859	0.6
99.00896	0.4
101.02452	2.6
107.01402	3.4
109.02927	0.7
110.00106	0.5
111.00890	2.7
113.02466	1.0
115.01939	0.4
123.00893	13.4
123.04586	0.4
124.01694	1.5
125.02454	17.6
127.00392	0.8
133.04521	0.3
136.98801	1.7
137.95036	0.3
139.00388	6.0
140.01183	3.5
141.01970	1.4
149.99585	0.4
151.00380	10.0
151.62477	0.3
152.00766	0.5
152.27957	0.3
153.01942	1.0
154.04836	0.3
161.02469	0.4
163.04083	0.4
167.03496	0.4
168.00645	4.4
169.01434	23.1
170.01819	0.8
179.03499	0.5
181.05235	0.3
183.02988	2.2
187.00357	0.3
189.01949	0.5
211.02475	7.9
211.04396	0.6
212.02881	0.4
214.99736	0.3
217.01465	0.4
241.03757	0.5
271.04614	6.5
300.99966	2.4
313.05521	1.6
331.06400	0.4
376.39926	0.3
402.87671	0.3
423.22400	0.4
427.03024	1.0
483.18738	100.0
484.12088	0.6
484.19095	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	483.1872
Annotation	Globulusin A
Peak:m/z	Relative Intensity
50.81445	0.5
50.95745	0.3
55.01895	0.4
57.03468	0.6
58.02954	1.1
59.01384	5.6
61.98824	1.2
67.01885	1.3
69.03442	0.4
69.19990	3.9
70.12743	0.4
71.01388	5.4
72.99321	0.9
73.02951	1.3
74.02470	2.8
78.95882	0.9
79.01899	2.1
81.03461	0.5
82.00580	0.4
82.02999	0.6
83.01397	1.1
85.02961	2.1
86.02493	1.1
87.00891	0.6
87.05632	1.0
89.02441	1.1
90.00193	0.5
95.01377	2.5
96.96014	4.7
97.02914	0.6
99.00884	0.6
99.05634	2.4
101.02465	3.5
101.07205	0.6
102.05592	0.4
103.55039	0.4
107.01388	5.5
109.02962	0.4
111.00870	2.8
111.05648	0.6
113.02480	1.8
123.00886	14.8
123.04463	0.4
124.01652	1.5
125.02444	20.1
126.02712	0.5
127.00394	1.1
127.05116	0.5
128.03540	7.5
135.05649	0.9
136.98828	2.0
137.02426	0.6
139.00388	7.3
140.01154	4.6
141.01949	1.9
141.06781	0.7
143.04613	10.2
146.04552	1.1
149.72939	0.4
151.00371	11.7
152.99567	0.9
153.01929	1.2
153.06667	0.6
154.99936	0.5
160.00745	2.2
163.04031	0.5
166.85379	0.4
168.00620	3.5
169.01421	25.8
170.01685	0.9
174.93228	0.4
177.03386	1.3
179.03275	0.5
179.04672	2.2
181.04999	0.5
192.07683	0.5
197.05717	0.6
208.06648	0.4
210.08829	1.9
211.02478	2.3
242.32718	0.4
253.03641	0.5
254.01964	0.4
254.07870	3.7
271.04645	1.5
272.08856	5.0
288.06607	1.3
291.18222	0.6
306.07657	11.2
313.05597	1.8
331.12100	2.9
403.17740	3.7
404.17783	0.7
423.21667	0.6
454.01465	0.4
483.13419	4.9
483.18741	100.0
484.19058	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	483.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
58.00575	0.4
59.01385	2.7
61.98815	0.4
65.00330	0.5
67.01882	0.9
68.99827	0.5
71.01377	2.8
71.28448	0.3
71.28778	0.5
72.99302	0.6
73.02943	1.0
79.01895	0.7
83.01386	1.1
85.02944	1.3
87.00836	0.5
89.02422	0.9
95.01384	2.1
97.02939	0.8
97.24201	0.3
99.00894	0.5
101.02419	1.8
105.94446	0.3
107.01395	3.7
111.00883	3.0
113.02429	1.4
115.01813	0.3
122.64198	0.3
123.00888	14.0
124.01715	2.1
125.02452	14.8
126.02778	0.5
126.10578	0.3
127.00378	1.1
136.98828	1.9
139.00391	5.6
140.01166	4.4
141.01955	1.6
151.00363	9.5
151.04031	0.3
152.00717	0.7
153.01929	0.8
154.99870	0.6
158.56895	0.3
163.04033	0.4
168.00642	5.7
169.01427	22.7
170.01747	0.8
177.04076	0.8
181.01407	0.4
181.05008	0.4
183.02997	1.1
189.01927	0.3
211.02483	4.0
261.00192	0.3
271.04587	3.4
300.99915	1.3
303.12634	0.4
313.05646	1.0
319.83112	0.4
427.03198	0.4
483.18704	100.0
484.19089	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	483.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
55.20867	0.2
57.03438	0.4
58.00570	0.2
59.01376	4.4
62.24459	0.2
65.00333	0.3
67.01884	1.1
68.99796	0.5
69.03449	0.5
71.01379	3.4
72.99303	0.8
73.02943	0.6
75.00855	0.6
79.01894	1.3
81.03448	0.3
83.01402	1.1
85.02951	1.5
87.00892	0.4
89.02457	1.2
95.01382	2.0
97.02947	0.8
98.19752	0.3
99.00864	0.3
101.02434	1.8
106.00591	0.3
107.01391	3.9
107.05110	0.2
109.02945	0.4
110.00063	0.4
111.00882	2.7
112.01311	0.2
113.02454	0.9
115.01922	0.2
119.03483	0.3
123.00882	16.9
123.04543	0.3
124.01759	1.5
125.02444	19.3
126.02740	0.4
127.00362	1.2
133.03056	0.2
136.98813	1.6
137.02422	0.5
138.99324	0.3
139.00372	6.1
139.03998	0.3
140.00101	0.3
140.01166	4.4
141.01945	2.0
151.00369	10.5
152.00728	0.5
153.01904	0.8
154.99840	0.3
159.02933	0.2
163.04002	0.4
166.99899	0.2
167.03485	0.2
168.00636	4.7
169.01418	25.2
170.01747	0.9
177.04045	2.7
179.03523	0.4
181.05049	0.4
183.03015	1.4
189.01828	0.2
203.03583	0.3
211.02460	2.7
253.03659	0.4
271.04605	2.2
275.01971	0.3
287.02158	0.4
300.99899	1.1
303.12589	0.2
313.05807	1.0
329.05060	0.8
427.03098	0.5
475.03583	0.2
483.18689	100.0
484.19070	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	483.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97495	0.3
55.01871	0.3
59.01379	2.8
67.01881	1.0
69.03465	0.4
69.16803	0.9
69.17228	2.3
71.01387	2.6
72.99311	0.8
73.02952	0.6
73.46837	0.3
75.00879	0.5
79.01890	0.4
83.01388	0.9
85.02950	1.7
86.00059	0.3
89.02442	1.1
89.95124	0.3
95.01371	2.1
97.02940	0.7
98.20752	0.5
99.00879	0.3
101.02433	1.8
107.01386	2.9
108.02150	0.5
109.02930	0.3
110.00086	0.4
111.00870	1.5
111.59854	0.4
113.02438	1.1
113.06142	0.3
120.50172	0.3
123.00890	12.3
124.01718	1.5
125.02444	13.6
127.00311	1.0
136.98804	0.8
139.00368	5.0
140.01176	3.3
141.01930	1.0
142.67088	0.3
151.00360	9.8
152.01060	0.5
153.01901	0.7
154.99863	0.3
163.04031	0.4
167.03441	0.4
168.00623	3.7
169.01422	20.0
170.01797	0.5
177.03972	1.7
177.47658	0.3
188.08231	0.6
189.99031	0.3
205.52116	0.3
209.04755	0.3
211.02444	2.2
271.04556	1.5
311.04025	0.3
313.05673	1.5
329.05148	0.6
406.97937	0.3
411.44781	0.3
415.37650	0.3
483.18716	100.0
484.19046	12.7
504.30740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	0.4
59.01377	3.5
61.98841	0.3
67.01881	0.8
69.03468	0.4
69.43755	1.7
71.01382	3.9
72.99299	0.5
73.02942	0.9
75.00848	0.3
79.01888	0.9
81.07283	0.3
83.01385	1.4
85.02482	0.4
85.02937	1.8
87.00900	0.6
89.02453	0.9
89.72903	0.3
91.44114	0.3
95.01408	1.8
97.02995	0.3
100.25193	0.2
101.02451	2.3
107.01379	3.1
109.02930	0.4
111.00866	2.2
113.02447	1.2
123.00882	12.9
124.01739	1.4
125.02444	15.4
126.02760	0.4
127.00412	0.6
136.98787	1.2
137.02408	0.4
139.00374	5.3
140.01160	2.9
141.01947	1.5
151.00371	10.7
153.01889	0.7
154.99768	0.3
163.03947	0.3
167.03455	0.5
168.00635	4.6
169.01419	20.2
170.01741	0.7
181.05025	0.4
211.02480	3.5
253.03485	0.7
271.04581	2.4
300.99954	0.7
313.05649	1.6
483.18704	100.0
484.19070	12.8
484.24573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.8
59.01383	6.9
60.07979	1.0
61.49205	0.9
67.01895	1.1
67.11933	1.0
68.99807	1.2
69.03455	1.7
70.07722	2.2
70.08110	2.5
71.01386	6.9
72.99313	4.4
73.02943	1.7
75.00878	13.7
75.02596	2.2
76.61674	1.0
83.01402	2.8
85.01048	1.4
85.02950	1.9
87.00858	2.1
88.04063	1.6
89.02457	3.4
95.01400	2.1
99.00881	5.3
101.02441	3.2
103.00388	9.9
104.43009	1.1
105.48195	1.2
107.01385	3.7
110.20844	1.1
111.00892	2.9
112.81775	1.0
112.98818	18.2
113.02468	1.6
115.00370	2.0
115.02058	1.5
117.01963	3.4
123.00884	5.6
124.01688	1.6
124.98800	1.8
125.02455	45.8
126.02778	1.9
127.00330	1.9
139.00366	2.7
140.01215	1.6
142.99850	1.3
143.01570	2.5
145.01459	11.5
149.99576	3.7
151.00343	5.1
157.01443	2.0
168.00653	14.4
169.01439	52.9
170.01729	2.0
171.01010	5.8
199.00539	1.0
203.03595	1.6
209.51778	1.1
211.02480	10.2
229.01282	1.2
231.03224	2.0
263.05798	23.7
270.30930	1.1
271.04581	10.2
273.00452	1.0
287.07651	1.1
300.99893	3.2
302.00296	3.0
303.00314	5.6
313.05582	9.0
328.70609	1.2
331.06757	26.3
335.04294	6.4
360.08844	1.2
363.07523	1.3
377.91232	1.0
391.06888	7.6
439.08725	4.5
451.09027	3.8
483.12436	100.0
484.12659	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	483.078
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.92566	0.5
59.01378	11.5
69.85361	2.6
71.01384	5.1
79.01897	1.3
83.01362	0.6
85.02943	1.0
88.78883	0.5
89.02438	4.7
95.01395	1.3
97.02934	0.9
98.19915	0.7
101.02423	3.7
107.01382	3.0
111.00853	0.8
113.02441	2.8
119.03520	2.0
123.00889	11.8
125.02445	23.9
126.02790	0.9
131.34554	0.5
136.98845	0.6
139.00333	3.1
139.04062	0.7
140.01074	0.8
140.45596	0.6
141.01949	1.2
144.46379	0.5
151.00351	13.6
160.50284	0.5
165.01961	0.6
167.03476	0.9
168.00677	3.3
169.01425	45.6
170.01767	1.6
183.03009	0.6
193.01447	0.9
211.02461	12.9
226.51819	0.6
239.26866	0.6
241.03372	0.6
271.04575	8.8
301.00226	0.6
313.05530	1.0
331.06686	100.0
332.07001	7.1
423.05710	0.7
483.07416	6.2
484.07864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0779
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01387	6.5
63.62420	1.1
69.03439	1.5
70.66545	3.5
71.01375	6.1
72.14307	1.2
79.01889	1.8
79.71934	1.0
84.97108	1.2
85.02911	1.3
89.02425	1.9
95.01347	1.9
97.02927	1.8
101.02464	3.0
107.01376	10.5
108.16595	1.2
111.00854	2.5
112.98823	2.0
113.02325	1.8
113.27919	1.2
123.00884	11.8
124.01647	9.9
125.02447	88.6
126.02792	2.7
127.00345	1.5
136.98776	1.9
137.02348	1.7
139.00307	4.2
139.03989	2.0
140.01149	1.9
141.10040	1.4
142.19873	1.1
145.01376	5.5
149.99571	12.7
151.00391	12.3
167.03316	1.5
168.00639	33.5
169.01425	97.1
170.01736	4.1
183.02946	1.3
193.01326	2.1
211.02484	30.9
223.67107	1.3
241.03429	2.3
271.01907	1.7
271.04581	30.1
272.04800	2.2
277.07233	1.8
287.07788	1.4
300.99786	2.3
303.00305	2.0
313.05640	16.3
331.06686	64.5
332.06839	5.2
423.05606	3.5
439.08820	7.7
464.27667	1.6
483.07529	100.0
484.07953	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	483.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26219	0.7
59.01397	2.8
69.03453	1.2
69.38508	0.7
70.50146	0.7
70.50480	1.9
71.01385	5.0
72.04551	0.7
77.46159	0.7
78.10730	0.7
78.20772	0.7
79.01891	0.9
81.03489	1.1
83.01375	1.1
85.02919	0.9
95.01405	1.4
97.02940	1.3
101.02462	1.1
107.01395	7.6
111.00886	2.4
113.02441	1.0
113.29008	0.8
114.23692	0.7
123.00896	6.7
124.01658	3.4
125.02449	72.8
126.02780	3.0
136.98798	1.3
139.00386	2.4
139.04062	1.0
140.01154	2.4
151.00398	6.1
167.03477	1.8
168.00659	12.1
169.01424	98.4
170.01775	4.6
191.63947	0.7
193.01430	1.5
211.02486	38.6
212.02815	2.1
230.68527	0.8
241.03435	3.4
271.04593	53.5
271.61520	0.7
272.04932	2.9
287.07813	2.2
313.05658	17.3
314.06122	1.1
331.06665	16.4
332.06833	1.0
359.89108	0.8
439.08643	5.7
483.07791	100.0
484.08185	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	483.0779
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.28822	0.7
52.44240	0.7
59.88379	0.9
69.03436	0.9
69.80662	3.5
71.24905	0.9
95.01408	1.7
97.02936	1.2
98.20689	0.8
107.01427	3.7
113.27343	0.8
123.00879	9.4
124.00854	1.4
124.01669	14.8
125.02449	68.5
126.02739	1.9
137.02448	2.4
139.00380	1.3
149.99585	26.7
151.00365	5.8
167.03494	2.8
168.00642	70.5
169.01419	28.4
170.01700	1.1
193.98622	1.6
194.99364	3.1
205.70778	0.8
211.02338	1.1
241.03511	1.1
271.04645	1.6
287.07748	2.0
295.52597	0.8
297.06094	1.0
313.05609	15.5
314.05838	1.4
331.06705	79.7
332.07034	6.4
439.08795	12.5
440.09146	1.8
465.06613	2.1
483.07800	100.0
484.08136	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	482.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50746	0.6
59.01375	7.8
61.66758	0.6
61.98824	1.2
65.00320	2.3
67.01895	1.4
69.03428	0.7
70.35902	2.2
71.01385	5.2
81.03462	1.1
83.01389	1.4
85.02983	1.0
87.00874	1.8
89.02458	3.0
93.03482	1.2
95.01392	4.4
95.90776	0.7
97.02964	1.0
99.00896	0.9
101.02470	2.2
103.47848	0.7
107.01392	6.8
108.04524	0.6
109.02955	10.0
109.42704	0.7
111.00888	2.0
113.02456	3.0
120.04571	2.6
122.06139	7.1
123.00885	14.4
124.01663	2.6
125.02451	38.0
127.00360	0.9
135.00891	0.8
135.30444	0.6
136.04100	1.1
136.07719	0.8
136.98782	1.3
137.02452	9.9
138.05609	4.2
139.00392	4.9
139.04010	5.6
140.01152	3.0
141.01944	1.8
146.68393	0.6
150.05609	7.1
151.00360	9.1
152.83984	0.6
153.01970	3.6
156.08203	4.3
162.05664	0.7
163.00264	1.0
165.01962	1.1
166.99844	2.0
167.03493	1.5
168.00644	7.7
169.01422	59.0
174.09250	0.8
178.99945	2.0
179.03487	0.8
181.01450	4.5
183.02960	1.8
184.07654	2.6
188.07191	0.8
190.99902	1.0
193.01424	1.6
200.04791	9.7
203.03471	0.7
210.05681	0.7
211.00430	1.4
211.02478	27.3
212.02867	1.3
212.07211	3.0
214.08681	0.9
215.07140	3.2
215.08975	0.8
228.06552	0.9
238.05396	0.8
240.06674	12.4
241.03598	1.9
255.05403	1.2
256.06131	3.0
258.07623	4.0
259.06021	1.0
262.04767	3.0
271.04572	23.8
273.50250	0.7
275.01712	0.7
276.02451	1.0
277.07227	4.7
284.05637	19.8
285.06113	1.6
297.06192	0.8
300.10794	2.0
300.99930	1.1
302.00500	1.2
302.06769	1.6
313.05685	5.8
321.06180	2.5
331.06699	26.7
333.10941	0.8
404.09821	1.8
419.11932	3.1
423.05704	1.5
446.11121	0.8
452.12045	8.5
453.12424	1.5
464.11963	100.0
465.12302	12.4
482.07758	0.9
482.13043	23.2
483.07141	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	482.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.5
63.37948	0.6
67.01866	0.8
69.28053	5.3
71.01378	5.4
72.99313	0.6
73.02950	0.8
78.95905	4.5
81.03457	1.7
83.01366	0.7
84.04527	1.2
85.02930	2.7
93.03439	1.4
95.01395	2.2
96.96015	11.2
96.96967	6.2
98.19930	1.1
101.02423	1.0
107.01391	7.3
108.02174	60.0
109.02963	35.4
110.02480	2.4
110.03234	1.1
112.04039	9.3
113.02460	0.8
117.03478	0.6
119.05024	1.6
121.02962	0.7
122.06062	0.9
123.00907	4.1
123.04539	1.2
124.04040	7.5
125.02447	21.4
133.02934	0.6
135.00880	0.9
139.00349	0.8
140.07199	1.3
151.00450	1.7
151.04028	1.2
152.01151	68.4
153.01949	25.9
154.02264	0.7
161.02469	0.8
161.04543	0.8
163.03975	3.2
164.04372	0.8
165.01945	1.2
166.05092	21.5
166.99774	1.1
167.03352	0.6
167.05359	0.7
167.10321	0.6
168.00616	2.1
168.46490	0.6
169.01428	30.6
184.06151	6.7
189.01933	1.0
201.02103	0.8
207.02913	0.6
208.06236	0.8
210.10042	0.6
211.02446	5.9
217.01419	0.9
224.01317	0.5
225.03859	0.7
229.01270	1.1
245.00990	1.3
271.04553	6.2
273.00400	1.2
275.01950	1.6
299.99384	0.7
300.99875	12.1
302.00235	1.9
313.05640	2.3
315.07202	16.7
316.07434	0.9
331.06628	1.8
335.09445	0.6
452.03217	1.2
452.53244	1.0
482.13025	100.0
483.07654	10.9
483.13626	10.1
487.94757	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51941	0.7
54.58125	0.8
58.27423	0.8
59.01383	4.0
61.98829	0.9
65.00326	1.0
67.01891	1.0
69.03467	1.7
69.66859	0.7
71.01378	3.0
71.51244	0.7
71.51661	1.2
72.01752	0.7
79.01896	1.4
83.01423	0.9
85.46693	0.7
87.00858	0.7
89.02441	1.5
93.03404	0.9
95.01378	4.1
97.02954	2.8
99.00935	1.0
101.02444	2.1
107.01401	28.0
109.02960	1.5
111.00906	1.1
113.02435	1.1
117.03484	1.6
119.03458	1.1
119.04987	0.7
123.00896	13.7
123.04519	1.8
124.01663	2.6
125.02453	66.5
126.02828	3.8
131.04926	0.7
133.02979	1.2
134.03775	1.1
137.65874	0.8
139.00375	2.6
139.04013	4.9
140.04361	2.7
141.01912	1.0
143.01434	0.9
145.02925	3.7
147.04477	1.3
151.00386	3.5
152.01137	1.8
152.03481	0.8
153.01886	1.1
154.99678	0.9
160.01608	1.0
161.02469	4.9
162.03189	2.7
163.00404	1.3
163.03893	2.8
166.99860	5.1
167.03499	3.5
168.00668	1.8
168.03769	1.5
169.01433	100.0
170.01797	6.9
171.00893	0.7
173.02414	2.9
175.00360	0.8
175.04028	1.1
177.01981	1.2
177.05600	4.8
178.05898	4.0
181.04857	0.8
185.02443	2.0
187.00378	1.3
188.01149	0.8
189.01938	4.2
190.02675	3.3
191.03545	1.7
193.01506	0.9
193.05130	1.6
194.05368	1.8
199.00487	1.0
200.01118	1.2
201.01965	3.6
203.03499	2.1
209.04584	2.2
210.04900	2.5
211.02397	1.9
213.01898	1.0
214.99895	1.5
216.00616	1.8
217.01376	5.5
218.02104	1.3
221.04549	8.4
222.04883	8.7
226.99939	1.4
228.00612	1.4
229.01439	6.5
230.01929	1.0
231.03036	1.6
239.05589	2.3
240.06055	2.0
242.99216	1.1
244.00098	1.1
245.00800	4.7
247.02382	1.6
249.04041	2.8
255.99847	0.8
257.00970	2.9
258.01654	1.0
259.45624	0.7
259.99731	0.8
270.98868	3.2
271.04730	1.8
271.99622	1.5
273.00333	4.2
274.01086	1.1
275.02051	7.1
276.02261	0.9
277.03775	0.8
283.99628	1.7
287.02017	1.7
298.98331	2.1
299.99194	4.5
300.99890	67.9
302.00241	8.0
303.01254	0.8
305.03186	1.8
313.05710	1.6
331.00925	2.7
331.06677	1.6
349.02063	1.0
402.11163	1.8
438.03232	4.2
452.03149	7.6
452.53284	4.3
453.03482	1.1
457.02127	1.0
466.02902	1.9
466.53003	1.4
481.10168	0.8
481.26764	2.7
482.11200	10.7
482.26706	1.1
483.07794	1.6
483.19278	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	481.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45474	0.9
62.47937	1.2
62.65619	1.0
64.58621	1.1
68.74076	1.0
69.46498	2.0
69.46900	5.4
78.95910	50.0
84.55869	1.2
96.96980	4.9
150.98019	1.3
152.99600	61.3
153.99980	1.1
165.88083	0.9
171.00664	20.2
227.03305	3.8
245.04330	100.0
246.04654	2.7
253.21729	64.3
254.22112	6.5
481.25754	32.0
482.26108	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	482.0417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51941	0.7
54.58125	0.8
58.27423	0.8
59.01383	4.0
61.98829	0.9
65.00326	1.0
67.01891	1.0
69.03467	1.7
69.66859	0.7
71.01378	3.0
71.51244	0.7
71.51661	1.2
72.01752	0.7
79.01896	1.4
83.01423	0.9
85.46693	0.7
87.00858	0.7
89.02441	1.5
93.03404	0.9
95.01378	4.1
97.02954	2.8
99.00935	1.0
101.02444	2.1
107.01401	28.0
109.02960	1.5
111.00906	1.1
113.02435	1.1
117.03484	1.6
119.03458	1.1
119.04987	0.7
123.00896	13.7
123.04519	1.8
124.01663	2.6
125.02453	66.5
126.02828	3.8
131.04926	0.7
133.02979	1.2
134.03775	1.1
137.65874	0.8
139.00375	2.6
139.04013	4.9
140.04361	2.7
141.01912	1.0
143.01434	0.9
145.02925	3.7
147.04477	1.3
151.00386	3.5
152.01137	1.8
152.03481	0.8
153.01886	1.1
154.99678	0.9
160.01608	1.0
161.02469	4.9
162.03189	2.7
163.00404	1.3
163.03893	2.8
166.99860	5.1
167.03499	3.5
168.00668	1.8
168.03769	1.5
169.01433	100.0
170.01797	6.9
171.00893	0.7
173.02414	2.9
175.00360	0.8
175.04028	1.1
177.01981	1.2
177.05600	4.8
178.05898	4.0
181.04857	0.8
185.02443	2.0
187.00378	1.3
188.01149	0.8
189.01938	4.2
190.02675	3.3
191.03545	1.7
193.01506	0.9
193.05130	1.6
194.05368	1.8
199.00487	1.0
200.01118	1.2
201.01965	3.6
203.03499	2.1
209.04584	2.2
210.04900	2.5
211.02397	1.9
213.01898	1.0
214.99895	1.5
216.00616	1.8
217.01376	5.5
218.02104	1.3
221.04549	8.4
222.04883	8.7
226.99939	1.4
228.00612	1.4
229.01439	6.5
230.01929	1.0
231.03036	1.6
239.05589	2.3
240.06055	2.0
242.99216	1.1
244.00098	1.1
245.00800	4.7
247.02382	1.6
249.04041	2.8
255.99847	0.8
257.00970	2.9
258.01654	1.0
259.45624	0.7
259.99731	0.8
270.98868	3.2
271.04730	1.8
271.99622	1.5
273.00333	4.2
274.01086	1.1
275.02051	7.1
276.02261	0.9
277.03775	0.8
283.99628	1.7
287.02017	1.7
298.98331	2.1
299.99194	4.5
300.99890	67.9
302.00241	8.0
303.01254	0.8
305.03186	1.8
313.05710	1.6
331.00925	2.7
331.06677	1.6
349.02063	1.0
402.11163	1.8
438.03232	4.2
452.03149	7.6
452.53284	4.3
453.03482	1.1
457.02127	1.0
466.02902	1.9
466.53003	1.4
481.10168	0.8
481.26764	2.7
482.11200	10.7
482.26706	1.1
483.07794	1.6
483.19278	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	481.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.0
61.98820	1.0
65.00332	0.9
67.01902	1.4
68.99812	1.5
69.15618	0.5
70.52202	1.4
71.01378	2.0
72.99302	1.1
73.02915	0.8
81.35260	0.5
82.00610	0.6
83.01383	1.9
85.95977	0.6
87.00884	0.8
88.70408	0.5
89.02415	0.5
96.99339	0.5
99.00841	0.8
107.01371	1.8
110.00097	2.0
111.00171	0.8
111.00889	13.0
113.02444	0.7
121.02950	1.8
123.00871	2.3
123.04536	2.6
124.00858	0.9
124.01669	9.4
125.02451	7.4
127.00366	5.1
130.68021	0.5
136.98817	9.5
137.70277	0.5
137.92236	0.5
139.00375	13.0
140.01164	20.4
141.01624	0.5
151.00406	0.9
154.99860	1.6
168.00639	40.9
169.01436	9.1
177.05583	0.8
211.13338	1.3
212.32794	0.6
289.14474	2.3
300.99847	2.1
307.15414	3.0
313.05707	1.1
329.23224	3.6
437.25424	3.4
481.24411	100.0
482.24823	13.8
494.45236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1852
Annotation	Sphenalactone B
Peak:m/z	Relative Intensity
56.90711	7.0
59.01386	70.9
59.28037	8.6
60.10275	7.4
61.98835	100.0
68.28697	10.0
70.07216	37.5
71.01381	59.6
73.02948	23.7
78.98396	8.1
85.02936	13.1
89.02447	75.4
93.03458	8.9
95.01369	12.3
95.61283	8.3
99.00880	18.6
100.78876	8.8
101.02450	43.9
106.58362	8.6
113.02467	13.3
115.43993	7.5
119.04997	7.9
120.86919	8.1
125.02470	40.9
127.16454	7.4
131.03491	13.4
135.04559	9.4
148.44878	9.0
149.04568	72.0
149.05638	12.4
161.04417	12.9
163.04030	11.4
169.01434	59.8
191.05585	15.1
243.63425	7.9
300.99734	44.3
481.17862	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0983
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
57.02220	0.8
57.33251	0.9
59.01378	5.2
61.97100	0.9
63.87574	0.8
69.03442	1.6
70.27345	3.0
71.01388	4.1
73.02948	1.4
81.03466	1.8
85.02948	3.2
89.02451	1.6
90.96011	0.9
95.01376	2.9
97.02944	2.6
101.02452	4.0
107.01369	3.1
108.02175	3.2
109.02956	1.8
113.02445	1.7
123.00877	10.8
123.04514	4.1
124.01663	20.4
125.02454	44.1
126.02785	1.5
137.02455	1.6
139.00314	1.1
149.99588	32.0
151.00377	5.1
152.01114	3.7
153.01942	3.9
155.03665	1.2
166.02666	1.0
167.03476	12.4
168.00636	61.3
169.01436	17.1
183.88240	1.0
187.13353	1.1
191.05615	3.9
205.01537	1.0
211.02501	4.8
212.96750	0.9
225.94508	1.0
271.04578	5.7
300.99872	1.8
311.07590	2.7
313.05679	3.3
331.06747	5.2
349.18640	1.4
390.53214	1.0
421.11557	1.6
463.08759	2.2
481.09821	100.0
481.16971	21.9
481.26050	2.9
482.10297	11.8
482.17188	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	481.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19862	0.4
55.01862	0.3
57.03434	0.5
57.67690	0.3
59.01386	2.1
61.98833	2.4
69.03461	1.1
71.01395	4.4
71.51894	0.6
73.02946	1.2
81.03455	1.4
83.01392	0.8
85.02959	3.5
89.02423	0.5
93.03465	0.6
95.01392	2.4
99.00891	0.8
100.12367	0.3
101.02454	2.6
103.10118	0.3
108.02179	57.0
109.02964	39.7
110.03310	0.6
111.00874	0.4
113.02464	1.9
114.81880	0.4
121.02952	0.6
123.00881	3.0
123.04602	0.4
124.01659	0.4
125.02441	1.9
133.49472	0.4
135.04544	0.5
136.98813	0.5
137.46779	0.3
139.00430	0.7
139.11319	1.6
140.01131	1.0
151.00337	0.6
151.04025	0.8
152.01157	56.7
153.01950	16.6
154.02234	0.6
161.04538	0.9
163.03955	0.6
165.01979	0.8
168.00652	1.8
169.01416	2.5
183.10277	2.1
194.28319	0.3
211.02542	0.6
230.79927	0.3
300.99893	0.7
315.07199	2.8
373.15741	0.4
481.17148	100.0
482.17514	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	481.0988
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
59.01394	10.7
69.03446	1.9
71.01376	8.8
71.52056	1.4
79.01914	2.2
81.03460	1.7
83.01383	2.9
85.02953	5.2
87.13312	1.6
89.02431	3.6
95.01383	4.3
97.02953	2.9
101.02443	5.2
104.03741	1.6
107.01383	4.5
108.02166	2.9
109.02959	2.7
111.00874	2.5
111.04504	1.6
113.02416	3.5
123.00903	12.3
123.04558	4.6
123.70379	1.3
124.01683	20.1
125.01527	3.1
125.02448	51.2
126.02774	1.6
136.98807	2.0
137.02454	4.5
139.00409	2.6
139.03976	1.4
140.01172	3.7
149.99586	31.6
151.00339	8.9
152.01173	2.8
153.01955	3.7
167.03497	12.0
167.99205	3.1
168.00645	62.6
169.01434	26.3
170.78209	1.5
177.47897	1.6
191.05571	6.3
211.02484	15.8
271.04626	15.3
300.99799	3.5
311.07614	4.0
313.05655	3.7
331.06696	5.5
340.70911	1.6
463.09268	1.6
481.09821	100.0
481.17078	62.7
481.25937	4.9
482.10135	10.7
482.17407	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	481.0987
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
52.66356	0.6
59.01367	2.6
61.98832	1.4
65.00320	0.7
65.95255	0.6
67.01876	0.5
69.15385	1.8
69.15806	4.6
71.01387	3.2
71.57576	0.7
72.99325	1.3
73.02941	0.7
74.30482	0.6
75.00880	0.6
78.39031	0.6
79.01888	0.7
81.03435	0.7
82.81296	0.6
83.01366	0.8
85.02944	1.3
89.02446	2.1
93.03465	0.8
95.01378	1.1
96.36525	0.6
100.46848	0.7
101.02444	1.6
107.01398	2.9
108.02174	33.8
109.02964	12.0
111.00880	3.7
113.02489	0.7
119.03566	0.9
121.02965	1.2
123.00857	5.1
123.04514	5.4
124.01675	5.0
125.02454	11.0
127.00417	1.0
131.95892	0.6
134.03748	1.0
135.04453	0.9
136.98808	2.3
137.02408	0.8
139.00340	5.1
139.04012	9.4
140.01157	5.2
151.00385	1.8
151.03931	0.7
152.01155	39.9
153.01958	7.7
153.05569	4.0
154.99805	0.6
162.03210	1.1
163.03986	1.1
165.01898	0.7
166.05103	2.6
166.62471	0.6
166.99854	2.1
167.03461	0.9
168.00638	20.8
169.01411	16.1
173.19737	0.6
177.05544	2.8
179.03445	0.8
181.01521	0.9
183.02980	35.1
184.03311	1.3
192.00610	1.0
193.01392	0.8
201.74542	0.7
210.01694	0.8
211.02472	2.1
221.04553	5.1
225.03996	1.9
229.01331	0.7
233.69604	0.6
238.80664	0.6
239.05598	2.1
245.56055	0.6
263.08499	0.6
267.05173	0.9
271.04681	1.3
275.01862	0.6
283.99619	0.7
297.06204	2.6
300.99930	6.4
301.75391	0.6
312.04907	1.4
313.05698	4.5
315.11032	0.8
327.07251	4.5
401.10910	0.8
422.08621	1.9
437.10876	4.8
466.07697	2.3
481.09906	100.0
481.15909	3.7
481.25558	5.9
482.10361	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	481.0984
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
55.01856	1.6
59.01361	2.6
67.01871	2.4
69.66974	4.9
69.67393	3.4
71.01387	8.3
73.02943	2.3
77.37575	1.6
79.01902	2.2
79.02747	1.2
79.44468	1.2
83.01390	2.1
85.02943	4.1
94.10742	1.1
95.01365	5.9
97.02935	1.7
101.02439	3.9
107.01383	11.7
108.02177	2.9
109.02928	3.0
111.00877	5.7
113.02451	3.9
115.70826	1.3
121.02934	3.8
122.03729	13.5
123.00886	28.2
123.04522	20.5
124.01662	4.0
125.02449	69.5
126.02786	3.0
127.00390	1.9
136.98779	3.1
139.00377	12.2
140.01173	9.3
141.01965	3.6
149.02438	6.5
151.00366	25.1
153.01929	2.5
165.05563	1.6
166.99806	1.9
168.00668	8.3
169.01425	100.0
170.01717	3.1
211.02354	2.5
226.07137	1.3
253.03424	1.8
300.99789	2.2
313.05603	19.6
314.05997	2.0
373.45172	1.3
437.10870	93.2
438.11349	11.5
463.08795	53.4
463.15323	1.7
464.08945	4.5
481.09872	76.1
482.10092	9.5
507.12299	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	481.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30321	0.5
54.86799	0.4
56.74594	0.4
59.01378	2.3
69.92079	1.7
71.01374	1.4
75.00812	0.5
76.56030	0.4
95.01376	0.9
101.02419	0.8
107.01374	0.7
119.05025	0.7
122.03697	0.5
123.00873	1.7
123.04488	0.6
124.01662	0.6
125.02443	3.7
139.00343	0.8
139.03972	2.1
145.01358	0.6
145.02988	0.9
151.00325	0.8
157.02905	0.5
160.66469	0.4
161.02434	0.9
163.04071	0.6
169.01410	5.7
173.01082	0.5
173.02432	1.8
175.04007	0.6
182.47211	0.4
185.02437	3.0
189.01935	0.5
201.01892	3.1
203.03552	1.3
213.02026	0.6
229.01395	5.6
231.03003	1.3
239.05630	0.7
245.00879	1.9
249.04201	0.7
257.00934	4.7
258.01544	1.1
274.99020	0.4
275.01959	9.5
275.05020	0.5
276.02109	0.9
283.99631	2.3
299.99106	2.8
300.99887	100.0
302.00217	7.0
313.05615	0.9
401.10999	0.5
425.78616	0.5
437.10959	4.8
463.08810	2.4
481.05481	13.4
482.06247	1.1
482.12274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92152	0.9
57.03430	1.2
59.01110	1.3
59.01379	19.5
61.98824	1.2
70.81888	1.4
70.82212	1.6
71.01374	12.0
73.02938	1.2
74.73285	0.9
81.03453	2.4
81.83179	0.9
83.01404	4.5
85.02969	2.8
89.02442	10.2
94.04578	0.9
95.01386	1.5
95.05037	1.1
96.96011	3.3
97.02942	2.0
100.73135	1.0
101.02424	6.9
105.93366	1.0
107.01373	6.8
108.02180	1.2
113.02450	3.7
119.03506	4.6
121.02965	2.6
123.00880	5.2
123.04530	22.6
124.01698	4.3
125.02448	41.8
125.82780	0.9
128.48000	0.8
131.03476	1.1
134.03746	14.7
139.00378	2.0
139.04013	23.2
140.01149	1.5
140.04283	1.2
149.02426	2.1
151.00371	5.7
152.01141	1.6
153.01978	1.1
154.39851	0.9
161.02444	11.3
162.03229	23.0
163.03723	1.2
167.03494	43.6
168.00629	2.0
168.03844	1.2
169.01425	46.1
170.01733	1.3
170.38493	1.0
177.05560	51.9
178.02675	1.6
178.05948	2.2
179.05658	4.7
188.50606	1.0
189.01967	0.9
191.03503	1.8
193.05037	11.7
194.02283	1.3
195.06599	2.3
206.02208	2.5
209.04544	1.3
211.02469	3.4
221.04541	100.0
222.04907	4.9
239.05594	22.4
240.05759	1.1
241.00270	4.8
244.30634	1.1
248.59372	1.0
271.04568	3.6
300.99945	6.4
313.05646	29.4
314.06247	1.9
319.01337	2.1
319.11850	1.2
401.10806	11.0
439.08890	10.4
481.09741	41.6
481.25937	8.1
482.06735	1.8
482.11163	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	481.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71759	0.3
59.01381	2.1
69.23379	0.4
69.85736	1.8
71.01383	0.8
89.02453	0.5
96.96068	0.4
98.19930	0.3
101.02422	0.4
110.10478	0.4
114.81778	0.3
129.03438	0.7
141.03500	0.4
145.02925	1.0
157.02995	0.4
163.03961	0.4
173.02411	1.3
175.03957	0.4
185.02448	2.1
201.01945	2.5
203.03513	1.0
213.01886	0.6
217.01491	0.3
226.99956	0.4
229.01381	4.7
231.02989	0.8
245.00847	1.5
249.03954	0.7
257.00906	3.2
258.01489	0.6
275.01956	9.7
276.02274	0.6
283.99603	2.9
299.99045	2.3
300.99878	100.0
302.00189	7.3
460.53149	0.3
481.06198	15.0
482.06519	1.6
482.12430	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96397	0.1
67.05569	0.1
72.97691	0.1
78.95901	20.9
96.96963	0.5
98.20684	0.2
104.97451	0.1
110.80020	0.1
122.98532	0.1
134.98491	0.1
152.47652	0.1
152.99583	4.0
168.04300	2.9
168.05733	0.2
171.00604	0.6
174.37724	0.1
184.38094	0.1
194.06015	0.2
224.06917	8.7
225.07251	0.3
227.03278	0.2
237.22191	0.2
242.07961	1.9
245.04300	3.5
253.21725	2.1
255.23282	100.0
256.23621	7.7
340.97693	0.1
352.19067	0.1
391.22855	0.1
475.68533	0.1
480.30917	21.3
481.25458	1.1
481.31348	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	480.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.8
61.98830	100.0
67.01925	0.6
71.01389	4.0
71.52215	0.8
75.00839	0.6
83.01415	0.6
85.02962	2.4
86.00164	0.6
87.00899	1.4
89.02463	2.1
93.03442	3.9
94.03775	0.7
95.01391	0.9
97.02975	0.7
101.02464	2.8
104.68465	0.5
107.01395	1.6
108.02207	0.8
109.02980	1.9
111.00925	1.3
111.04541	0.8
111.31384	0.6
113.02469	1.1
115.97713	0.6
119.03466	0.8
123.00882	2.9
125.02460	7.6
131.03494	0.8
137.02472	1.1
139.00386	1.8
140.01160	2.0
151.00417	1.9
152.01178	1.4
153.01993	1.3
161.04596	1.0
161.74379	0.6
167.03528	0.9
168.00635	2.9
169.01416	8.3
173.04594	1.7
183.03062	1.0
191.05663	2.8
207.68550	0.6
211.02463	7.3
211.04111	0.7
227.03487	0.9
229.05223	0.7
237.15068	1.4
238.79254	0.6
255.03018	1.8
271.04599	11.3
272.04944	0.9
284.03210	3.0
285.04004	2.2
289.16531	1.5
300.99994	1.8
315.07248	0.7
319.11871	1.2
331.06870	2.1
369.40488	0.7
417.21503	0.7
447.09555	1.1
480.16766	3.5
481.17123	20.3
481.23911	1.2
503.77148	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	19.7
61.98830	100.0
62.35762	1.1
67.01884	2.2
71.01360	5.6
71.52087	2.0
73.02969	1.6
85.02956	3.2
89.02447	2.0
93.03452	5.1
95.01391	1.5
99.00874	1.6
101.02436	3.9
102.84859	1.0
107.01369	3.2
108.02177	4.1
109.02977	4.4
111.00911	1.2
113.37433	1.1
117.89840	1.2
119.03454	1.4
123.00871	8.2
125.02435	12.6
135.00905	2.4
137.02448	9.7
139.00369	3.6
140.01184	2.1
144.11067	1.2
149.55219	1.2
151.00360	5.0
152.01178	2.4
153.01949	2.5
168.00595	2.7
169.01436	18.2
173.04573	2.8
191.05589	3.4
203.03378	1.6
211.02469	2.9
221.95441	1.1
227.03470	1.8
237.33163	1.2
255.03006	2.5
259.02478	1.4
271.04596	2.6
284.03253	3.0
285.04062	2.4
300.99823	2.9
303.07230	1.4
315.06897	1.3
331.17581	2.2
355.81613	1.6
373.18683	1.9
382.54764	1.2
481.17145	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85957	1.2
55.69495	1.4
59.01110	2.1
59.01385	30.6
61.98832	100.0
69.42089	5.4
69.42516	4.7
71.01379	4.1
73.02982	1.9
85.02982	1.7
87.05355	1.4
89.02444	3.5
95.34084	1.7
97.02958	1.6
98.19941	3.3
101.02438	3.6
113.42387	1.3
123.17190	1.3
125.02434	3.4
138.33809	1.3
143.06607	1.3
151.57408	1.4
161.04544	2.3
161.18762	1.2
169.01424	4.1
200.18643	1.5
331.17502	5.5
332.17621	1.3
373.18640	4.0
388.49905	1.9
480.15659	2.1
480.21603	3.0
481.17166	8.6
499.37115	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	479.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
59.01373	3.0
61.98838	1.9
69.03425	1.5
71.01368	1.7
71.50512	1.2
71.50934	2.1
73.50064	1.0
78.95901	10.9
82.71861	1.0
83.05025	1.6
97.06490	1.2
99.08163	3.6
101.82294	1.1
110.98530	6.5
111.00896	1.2
111.08138	1.5
113.09716	3.0
125.02368	1.6
129.09230	4.8
139.00398	2.0
139.43954	1.3
152.99551	2.4
153.12868	1.5
167.01144	3.1
168.00681	2.1
169.01479	1.8
169.12357	4.3
181.12300	3.8
183.13818	2.4
185.02200	8.7
193.12389	1.4
197.11838	14.2
199.13397	7.2
201.11397	2.4
207.10204	1.5
211.13409	18.9
212.13924	1.1
225.11395	2.8
227.57922	1.3
275.20181	1.6
292.15897	1.3
293.21219	12.4
294.21399	1.2
294.43469	1.1
298.98334	1.5
311.22266	100.0
312.22592	8.1
479.23996	34.3
480.24365	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	479.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
59.01366	2.6
60.58059	0.8
61.98833	1.2
70.87124	0.7
71.01391	2.3
78.95901	11.2
81.06641	0.9
83.05044	1.3
99.08179	2.0
101.02406	1.1
110.98540	7.2
111.00827	0.8
113.09728	3.2
122.27429	0.9
125.02444	1.4
127.07695	1.1
129.09204	5.9
140.01163	0.7
141.09190	1.0
151.11261	0.9
163.11237	1.0
167.01184	3.3
167.10684	1.1
168.00594	1.1
169.01421	2.2
169.12372	3.6
171.10310	1.1
181.12329	5.2
183.13927	2.5
185.02211	10.2
193.12259	1.1
196.65323	0.9
197.11807	13.8
199.09651	0.9
199.13402	6.2
201.11351	2.4
207.10248	1.9
211.13388	17.7
225.11395	2.4
229.28534	1.2
275.20251	1.2
293.21207	13.2
294.21542	1.2
311.22269	100.0
312.22650	10.8
334.69968	0.8
414.30521	1.1
479.24033	35.3
480.24335	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2286
Annotation	Ineupatolide
Peak:m/z	Relative Intensity
59.01365	1.5
61.98815	1.0
65.00304	1.2
67.01888	1.4
68.99802	1.1
71.01385	2.3
72.99309	1.8
83.01399	2.1
87.00856	0.6
92.20656	0.6
94.67254	0.5
95.01402	1.0
99.00861	0.9
103.76981	0.5
106.00600	0.8
107.01383	1.8
110.00107	2.0
111.00167	0.8
111.00886	14.2
112.98788	0.5
123.00896	1.9
124.01672	10.9
125.02457	10.8
127.00381	6.1
136.98820	9.5
139.00368	14.7
140.01167	21.7
149.99561	1.7
151.00299	1.1
154.99852	1.6
168.00641	43.6
169.01404	8.3
171.10254	1.0
177.05653	0.5
201.11307	1.1
209.12169	0.5
211.13286	0.7
225.11174	0.6
229.14505	0.8
253.08900	0.5
289.14468	3.1
294.90152	0.6
299.80481	0.5
307.15482	3.9
327.21732	3.5
340.01300	0.6
366.52103	0.5
435.23792	2.9
461.21594	0.8
479.15997	6.0
479.22818	100.0
480.16434	0.8
480.23138	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	479.2289
Annotation	Ineupatolide
Peak:m/z	Relative Intensity
55.01854	0.4
57.51908	0.3
59.01382	1.9
61.98817	1.3
62.83807	0.3
63.27069	0.3
65.00327	1.5
67.01882	1.5
68.99821	1.3
69.03464	0.5
70.60180	0.4
70.66145	0.8
70.66480	0.7
71.01377	2.9
72.99309	2.3
74.22290	0.3
78.01117	0.4
82.00591	0.4
83.01389	2.3
87.00864	0.9
92.12995	0.3
95.01402	1.2
96.99324	0.8
97.02943	0.5
99.00883	0.9
106.00596	1.1
107.01370	1.8
109.00055	0.4
110.00095	2.9
111.00890	13.9
123.00875	2.7
124.01672	11.5
125.02459	12.6
125.09754	0.4
127.00377	5.8
136.97821	0.6
136.98816	9.2
137.02538	0.4
139.00381	16.1
140.01172	22.9
141.01552	0.7
146.39146	0.4
149.99596	2.9
151.00349	0.6
154.99867	1.6
165.57295	0.4
168.00652	46.1
169.01430	10.1
171.10226	1.4
199.13358	0.4
201.11356	1.5
211.13373	1.0
229.14360	0.6
288.25516	0.4
289.14474	2.1
291.19220	0.4
307.15591	3.2
327.21774	4.5
417.22910	0.4
435.23831	3.3
436.24002	0.5
461.21777	0.9
479.15909	7.1
479.22815	100.0
480.16107	1.0
480.23145	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	479.1192
Annotation	Ampelopsin 3'-methyl ether 4'-rhamnoside
Peak:m/z	Relative Intensity
59.01384	14.5
59.69954	1.1
60.09218	1.1
60.72273	1.2
61.98824	3.0
63.02367	1.5
65.00319	2.5
71.01384	9.3
71.51466	1.7
72.99311	2.7
73.02938	2.6
79.01900	1.4
83.01394	3.4
85.02934	3.1
89.02439	3.5
93.03473	2.9
95.01373	2.7
101.02447	6.3
107.01394	15.5
109.02927	4.0
111.00854	2.8
113.02424	3.2
119.04993	2.5
121.02936	4.7
121.06553	2.7
123.00893	14.0
123.04495	3.7
124.01659	2.1
125.02453	51.1
126.02766	1.5
135.04500	3.1
136.01674	1.7
137.02434	4.2
139.00383	6.3
140.01152	3.5
141.01935	2.3
149.02376	1.4
151.00374	29.0
152.01070	4.4
153.01862	1.4
153.05615	3.3
155.89584	1.1
161.02469	1.1
162.99176	1.2
163.00401	6.4
163.01543	1.0
163.03899	1.7
164.01157	6.4
165.01822	2.8
165.05569	15.9
167.03485	1.5
168.00621	2.9
169.01418	70.9
170.01747	3.6
173.70866	1.3
176.41425	1.2
178.99870	15.9
186.21657	1.2
190.99812	2.6
192.00557	2.4
193.01407	2.1
211.02565	2.0
223.02493	1.2
243.03024	1.8
271.02386	8.8
271.04745	1.2
272.27911	1.2
287.01968	2.1
299.01953	15.4
300.02570	1.6
313.05637	16.2
314.06021	2.0
316.02264	15.2
317.02979	28.6
317.19635	2.2
318.03271	2.6
431.17032	2.1
461.10834	6.3
479.12607	100.0
479.24759	16.5
480.12836	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	478.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
71.30289	1.7
86.94933	1.1
92.79506	1.1
104.75194	1.2
128.12096	1.3
140.42709	1.1
156.41908	1.2
188.48776	1.4
209.93784	1.2
230.93959	1.3
241.35208	1.3
241.37979	1.3
287.63525	1.4
316.53198	1.3
412.29639	7.8
413.30093	10.9
441.33740	9.2
442.34070	19.0
443.33762	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.8
59.01380	15.1
61.98832	6.9
63.02370	2.5
65.00323	4.8
69.03448	1.9
71.01380	11.5
72.99306	9.8
73.02936	2.9
74.99091	1.6
75.00857	2.2
78.95873	1.3
83.01392	7.5
85.02969	5.1
87.00845	1.4
88.98785	2.5
89.02434	7.5
91.00381	1.0
93.03405	1.7
95.01351	3.0
96.95995	3.6
96.96917	2.3
97.02862	1.1
101.02436	8.3
107.01394	10.8
108.02208	4.5
109.02934	6.7
113.02402	3.9
119.01355	1.6
119.03446	1.5
119.04972	2.2
120.99609	1.5
121.02917	2.5
123.00832	3.7
123.04395	1.0
124.01633	3.4
125.02449	23.3
126.02769	1.8
135.04478	3.3
136.01682	6.2
136.99039	1.3
137.02451	6.0
139.00317	1.8
139.11272	1.5
145.02895	1.9
147.00841	3.0
149.02385	2.9
150.03123	1.2
151.00366	44.4
152.01160	16.6
153.01840	1.0
155.10733	3.0
161.02380	1.8
161.04489	1.8
162.03133	0.9
163.00371	10.7
163.03946	2.2
164.01137	16.5
165.01859	5.2
165.05566	1.7
168.00581	1.2
169.00208	1.1
169.01414	13.1
171.10287	1.2
175.03937	1.7
177.01918	1.3
178.99857	49.7
179.03255	1.5
180.00148	3.0
183.10179	3.7
184.10614	1.9
189.01892	1.5
190.99872	4.8
192.00546	2.6
193.01308	3.0
199.03943	2.5
199.09665	3.5
201.01996	6.1
211.02318	1.5
211.04126	1.1
214.02626	2.7
217.01332	2.0
219.02867	2.2
227.03520	4.7
231.02913	1.6
232.03723	1.1
242.02052	1.5
243.03101	5.5
245.00949	1.0
249.03941	1.4
255.02873	2.6
259.02341	2.9
261.00378	2.0
269.04449	1.1
270.01608	3.1
271.02402	31.2
271.04642	1.1
272.02786	2.0
273.03790	1.7
287.01926	6.8
288.02576	1.2
299.01947	47.7
299.09073	3.1
299.18454	1.1
300.02106	2.9
301.03400	1.0
313.05423	1.3
315.07083	3.1
316.02228	52.3
317.02972	57.6
317.19467	2.3
318.03589	4.5
347.16956	2.6
353.05017	2.2
359.04041	1.1
435.08826	1.7
479.08051	100.0
479.24966	51.3
479.34778	1.5
480.08377	12.2
480.14682	2.0
480.25394	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71217	0.4
59.01373	1.7
61.43502	0.5
61.98829	100.0
62.98536	0.4
64.05486	0.4
69.70483	1.9
71.01398	1.0
72.99297	0.5
73.02944	0.6
73.32398	0.3
75.77433	0.3
77.96616	0.4
85.02975	0.7
85.67953	0.4
89.02449	0.6
98.17600	0.4
101.02485	0.6
105.24250	0.4
114.64185	0.4
125.02468	1.3
126.02883	0.5
134.42209	0.3
142.22803	0.4
147.78525	0.4
151.00392	0.6
153.01920	0.6
164.01277	0.5
169.01404	2.2
170.01744	0.6
177.42097	0.4
178.49896	0.4
178.99849	0.5
223.17381	0.4
263.06946	0.4
271.02594	0.5
271.99283	0.6
273.07767	0.4
299.02075	1.3
299.98917	0.6
300.99707	0.7
314.00122	1.0
314.05719	0.5
315.01080	0.7
316.01865	0.5
355.12305	0.4
358.02933	0.4
415.12592	1.4
418.16974	1.4
478.06241	2.4
479.07846	0.9
479.24927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45700	0.5
59.01382	14.6
60.01714	1.0
61.91312	0.5
61.98830	100.0
68.83701	0.6
69.30649	3.9
71.01384	2.1
73.02935	0.6
87.50811	0.6
92.50496	0.5
94.10665	0.5
101.02449	1.3
109.02999	0.7
124.01734	0.6
125.02463	0.9
145.68152	0.5
149.62291	0.5
160.77084	0.4
164.03537	0.6
169.01486	0.8
265.10022	0.5
452.21295	0.5
479.15625	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32612	1.5
56.26330	1.7
59.01382	9.4
61.98830	13.5
71.01382	6.3
89.02439	5.1
93.90884	1.8
95.01379	2.2
96.95988	5.6
98.20698	4.0
101.02435	4.0
107.01376	8.0
111.00893	3.5
123.00889	13.6
124.01693	2.4
125.02457	35.0
126.02766	5.5
131.03477	1.8
138.02002	3.0
139.00346	4.7
140.01134	2.5
141.01956	2.0
149.04578	2.3
151.00404	10.8
168.00652	4.8
169.01427	47.1
170.01743	10.5
171.01868	5.5
209.62437	1.7
229.01399	1.9
267.68622	2.0
271.04547	1.9
275.01932	7.6
276.02292	3.1
300.99857	8.3
302.00232	6.8
303.00290	2.7
313.05975	2.5
326.05978	4.9
413.51297	1.9
415.12442	100.0
416.12915	10.3
479.04501	2.2
479.11526	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	478.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.8
60.37019	1.0
61.98830	11.8
67.39231	1.0
68.90711	1.1
71.01378	6.2
73.02939	2.6
79.01901	1.3
80.04305	1.0
85.02972	2.2
89.02446	5.2
95.01379	2.8
96.96010	3.7
96.96970	1.5
98.20747	2.6
101.02428	3.4
107.01376	5.6
109.98125	1.1
111.00880	1.4
113.02423	3.0
120.99652	1.1
123.00873	13.5
124.01767	1.4
125.02446	20.6
126.02769	2.5
131.03535	1.5
135.04497	1.2
137.02420	1.7
138.01945	3.4
139.00349	4.3
140.01143	2.8
141.01918	1.5
141.56912	1.0
149.04549	2.0
151.00339	9.7
153.01903	1.8
168.00609	4.6
169.01422	33.8
170.01749	4.0
171.01952	1.6
176.55499	1.1
191.05611	1.9
200.14714	1.1
201.01897	1.3
211.02425	2.1
213.07738	1.0
229.01491	1.2
230.01894	1.2
231.70897	1.1
273.00339	1.5
275.02032	3.7
276.02295	2.6
277.02740	1.6
300.99835	3.4
302.00076	1.8
313.05643	2.0
415.12433	100.0
416.12714	9.9
479.11856	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	477.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.8
58.00602	0.7
59.01382	14.4
71.01379	9.9
71.50270	0.5
71.50748	0.5
72.99306	0.5
73.02330	0.5
73.02943	1.9
79.73948	0.5
83.01381	2.1
83.04988	0.5
85.02959	3.9
87.00882	1.0
89.02441	5.0
95.01400	1.4
99.00887	0.7
101.02451	7.7
113.02431	3.1
119.03502	1.5
125.02483	0.6
125.09690	0.5
127.11322	1.0
141.12859	1.5
148.35620	0.5
149.48962	0.5
155.10811	0.6
169.01390	0.9
171.10237	3.3
209.11888	0.8
211.13402	0.9
213.95627	0.5
271.02402	0.7
279.23346	1.8
291.93973	0.4
297.24371	8.0
298.24689	0.8
299.02148	1.0
313.23978	3.0
314.04398	1.1
315.01553	0.5
315.25388	28.1
316.25742	2.3
459.19736	0.5
459.29019	0.5
477.30682	100.0
478.31039	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	478.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39516	2.5
59.01376	14.7
61.98833	28.8
71.01376	7.2
75.00850	2.6
83.01390	3.4
85.02933	3.4
89.02445	7.6
90.59854	2.1
98.20670	5.1
101.02421	5.0
107.01367	8.6
109.02935	3.3
111.00885	7.9
113.02446	3.8
119.05070	2.7
121.02957	2.5
123.00871	4.6
124.01668	6.4
125.02456	40.8
126.02767	6.6
136.98808	7.0
139.00310	11.7
140.01186	15.5
145.02971	3.0
145.17265	2.4
147.04506	2.6
152.01152	4.7
163.00410	3.3
165.01880	3.0
168.00653	27.4
169.01421	60.1
170.01750	12.2
175.04099	2.9
201.01910	4.1
203.03397	2.9
209.00652	3.3
211.02367	2.8
229.01344	3.8
230.01781	3.0
237.07730	3.4
257.00854	7.0
271.02368	3.6
275.01907	23.6
275.95020	2.3
276.02225	11.3
277.02417	3.1
300.99796	11.4
302.00333	4.1
303.00229	3.2
379.55084	3.3
415.12436	100.0
416.12778	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	477.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
55.62178	0.6
57.03455	3.6
58.00562	0.8
59.01378	40.3
61.98821	1.3
69.03432	1.0
69.97499	1.4
69.97894	1.6
71.01380	46.3
72.01707	0.9
72.99309	2.0
73.02959	4.4
83.01393	3.2
84.02178	1.3
85.02948	37.3
86.03317	0.8
87.00858	2.8
89.02445	27.6
95.01389	15.1
97.03001	1.0
98.20582	1.0
99.00895	1.5
101.02442	21.4
108.02172	1.8
109.02945	3.6
113.02451	100.0
114.02794	2.2
119.03497	8.1
121.02959	1.9
131.03508	1.9
134.18495	0.8
143.03496	6.3
149.04526	0.9
159.02971	0.8
161.04556	28.9
162.04820	1.4
165.01952	4.5
170.72154	0.8
179.05609	10.2
186.89348	0.7
193.01457	1.2
199.03972	1.1
227.03436	2.0
243.02968	2.6
254.02222	1.0
255.02988	1.5
271.02463	25.8
272.02979	1.4
285.03940	0.8
299.01959	36.2
300.02454	5.9
314.04309	34.3
315.05020	24.0
315.18134	2.0
316.05301	1.8
379.83585	0.7
477.10416	29.5
477.18021	1.2
477.23499	14.9
477.30338	1.0
478.10730	3.8
478.23721	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	477.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32439	0.6
59.01392	4.3
69.03454	2.2
69.51322	0.9
69.51660	5.2
71.01378	3.8
73.02927	0.9
74.99108	0.9
77.05047	0.6
79.01882	1.2
81.03465	1.0
83.01379	1.5
89.02439	2.1
95.01357	2.0
96.96012	15.2
97.02933	2.2
98.20628	1.4
101.02448	1.7
107.01379	3.1
109.02927	2.0
110.57481	0.7
118.98075	6.6
121.02985	0.8
123.00887	7.4
123.04520	2.2
124.01671	17.7
125.02453	56.8
126.02811	2.3
131.03473	0.7
137.02455	1.2
146.08203	1.6
149.99602	28.0
151.00417	3.5
153.01918	2.6
153.05611	0.9
166.99881	0.8
167.03510	1.8
168.00647	56.3
169.01401	11.8
170.01787	1.2
203.03564	1.3
203.05476	0.7
204.05106	0.8
213.45287	0.8
225.03905	0.9
271.04575	2.2
275.01974	1.3
283.47308	0.7
297.06186	1.1
300.99899	2.1
302.00153	1.3
315.10968	2.5
331.06860	1.0
380.15359	3.5
459.11395	1.9
477.12466	100.0
478.12854	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	477.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31475	3.0
54.46292	3.1
59.01381	19.9
65.00337	3.5
66.97546	3.0
69.48585	7.3
69.48994	15.6
71.01384	10.5
75.00897	3.0
83.00224	3.2
87.00864	3.3
89.02463	9.0
93.66145	2.7
94.21358	3.1
94.60351	2.9
98.20590	6.9
101.02427	5.7
104.46886	3.1
106.11510	2.8
107.01389	6.8
109.02992	3.7
111.00867	4.5
118.98094	10.3
120.99629	5.5
124.01654	6.7
125.02444	25.2
126.02766	4.0
129.01974	3.5
131.07126	12.5
136.98837	3.6
139.00377	3.4
140.01152	8.9
146.08199	7.1
151.03984	3.7
153.01950	9.4
168.00623	10.2
169.01402	30.7
170.01796	10.9
181.70802	3.5
183.02969	100.0
184.03366	4.7
191.05565	4.3
193.04807	3.3
217.23473	3.3
225.01399	3.2
263.79980	3.2
275.01950	5.8
276.02188	3.7
293.12488	43.4
300.99930	15.1
302.00302	4.7
309.11276	3.6
315.05151	4.3
477.11774	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84839	0.7
59.01385	7.9
61.98822	1.5
66.23639	0.8
71.01385	2.4
71.51696	0.7
71.54643	0.8
74.72514	0.7
78.95879	0.8
91.01904	1.9
101.02438	0.8
102.03058	0.9
104.02718	0.9
109.02963	1.0
113.02472	0.9
123.00853	1.2
123.48388	0.8
125.02408	2.4
131.01350	0.9
132.02159	8.5
133.03014	1.4
135.00890	2.8
151.03899	0.8
151.12048	0.8
159.00827	1.6
161.02470	1.4
165.01936	1.1
165.05573	1.4
167.05013	1.9
168.00656	1.7
169.01422	3.1
179.03479	1.5
180.04259	2.9
183.04462	3.2
183.13895	2.2
184.05127	1.9
185.02261	1.4
194.05779	1.7
195.04507	4.6
195.06607	7.2
197.11871	3.4
209.08147	2.9
211.04019	13.8
212.04558	2.7
223.03993	3.5
224.04817	1.6
239.03502	87.7
239.28224	0.8
240.04105	16.1
251.03468	3.5
265.04968	1.0
266.02243	1.2
267.02988	100.0
268.03729	76.2
269.04236	7.2
271.02496	3.4
271.26288	0.8
282.05283	2.8
283.06238	4.4
292.18564	0.9
293.04822	1.1
299.01968	5.0
300.02786	1.1
302.33835	0.9
309.20624	4.3
314.04459	4.0
315.05133	3.8
379.03641	0.9
407.83734	0.8
447.10818	3.8
459.10800	4.5
477.11728	5.9
477.21750	3.7
477.28345	0.8
478.10864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1039
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
59.01384	2.0
61.98829	1.8
65.00327	1.2
69.23873	2.7
71.01388	0.7
97.02934	1.2
101.02441	0.7
107.01382	0.6
108.02170	0.8
109.02942	2.7
113.02409	0.6
121.02960	4.8
133.02969	0.6
135.00887	0.4
149.02472	0.6
149.99559	0.6
151.00327	1.7
152.01129	0.3
161.02417	0.5
161.04555	0.4
163.00333	1.0
165.01926	12.3
166.02327	0.6
171.04486	0.7
175.03970	0.7
183.02911	0.3
183.04436	0.5
187.04024	0.4
190.02742	0.4
193.01401	2.8
199.04047	2.9
201.01865	0.6
203.03430	0.5
215.03456	2.2
216.04199	0.4
226.02684	1.2
227.03444	4.0
228.04181	0.7
242.02196	0.7
243.03000	8.1
244.03490	0.8
254.02263	2.1
255.02956	2.8
256.03790	3.2
257.04559	0.5
259.06155	0.5
269.04486	1.5
270.01599	1.0
270.04620	0.4
271.02460	74.7
272.02869	6.0
285.04077	2.8
286.04752	0.4
287.05481	1.0
297.03928	0.5
299.01950	99.1
300.02496	15.0
301.02985	0.7
314.04309	100.0
315.05023	58.9
316.05399	4.3
357.06161	0.9
361.12723	0.4
389.12689	0.5
477.10355	76.9
478.10654	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	477.1037
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
59.01377	2.9
59.16222	0.5
61.98793	1.0
65.39111	0.5
67.14792	0.5
71.01388	3.3
72.24944	0.5
73.02943	1.1
81.03475	1.0
85.02945	2.1
89.02435	0.7
93.03438	0.7
95.01395	1.4
98.20659	1.5
101.02455	1.9
107.01413	1.3
108.02174	45.7
109.02966	20.9
110.03294	0.5
110.54710	0.5
113.02467	1.2
117.03429	1.1
123.00887	1.9
125.02483	2.9
130.33507	0.5
132.02171	0.8
133.02956	22.8
134.03639	0.7
135.00893	0.7
135.04524	10.8
135.60092	0.6
139.03970	0.6
143.03485	0.6
147.44608	0.6
151.00349	1.2
151.03937	1.2
152.01154	61.5
153.01945	20.2
154.02193	0.7
161.02443	52.8
162.02818	2.6
163.04007	1.3
165.01950	1.5
169.01401	3.3
177.05582	0.9
179.03493	3.9
181.28134	0.5
187.00325	0.9
203.03372	0.7
221.04427	0.9
299.99014	0.9
313.05673	0.7
315.07217	42.7
316.07523	2.1
323.07669	1.4
347.63333	0.6
433.11478	4.7
459.08905	0.8
477.10376	100.0
478.10852	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	476.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
68.03201	0.7
68.19947	0.6
69.16301	0.6
69.50523	2.3
69.50960	2.3
70.16718	0.6
75.21202	0.6
77.45382	0.6
88.74978	0.6
96.96012	0.8
98.20701	0.6
111.42639	0.6
120.45522	0.7
123.54980	0.7
139.63081	0.7
147.04565	1.9
159.04564	1.5
175.04024	1.1
175.07771	0.6
206.97644	0.7
335.45663	0.6
381.28094	0.8
410.28168	4.7
411.28625	6.0
439.32214	7.0
440.32462	15.2
441.33105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18125	1.4
61.98831	100.0
69.78009	7.5
151.98375	1.3
273.89948	1.7
409.26874	2.5
438.30869	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	477.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.6
59.90839	0.7
61.98824	1.5
62.25170	0.8
69.17051	6.8
69.61772	0.7
81.69735	0.7
84.43851	0.7
89.02468	1.3
98.19807	1.3
105.91220	0.7
113.02479	0.7
119.05030	4.5
121.10213	1.7
125.02464	4.9
163.03995	2.5
169.01422	9.2
183.10243	3.4
183.11702	0.8
242.99272	1.6
244.00101	1.2
270.98856	20.7
271.99286	0.9
298.98325	23.9
299.99109	100.0
300.99503	8.1
314.00671	13.7
315.01453	73.7
316.01666	4.8
325.09119	1.3
331.06442	1.9
401.56232	0.8
477.06601	70.3
478.07037	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.104
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
57.03456	0.4
57.48836	0.3
59.01382	6.0
61.98831	2.2
65.00323	5.8
69.17866	0.4
69.18266	3.0
69.64484	0.3
71.01385	3.9
72.99313	0.3
73.02954	1.4
74.33957	0.3
83.01395	0.8
85.02941	2.1
89.00314	1.8
89.02448	2.1
91.01900	1.4
91.68563	0.4
93.03490	1.7
95.01398	0.6
97.02956	6.2
99.00871	0.5
101.02448	3.4
107.01389	0.5
108.02214	0.9
109.02958	2.9
113.02459	2.0
116.41392	0.3
119.03516	0.7
121.02962	19.6
122.03300	0.7
123.04552	0.6
125.02444	0.8
139.04030	0.8
145.02876	0.5
149.02412	1.7
149.99606	2.6
151.00392	2.0
153.05568	0.9
159.02861	0.3
161.04564	1.5
163.00386	0.7
164.01137	0.4
165.01933	53.9
166.02263	2.2
169.01398	0.9
183.03040	0.3
186.16451	0.3
192.00633	0.5
193.01421	5.5
194.01575	0.4
207.03018	1.1
226.02817	0.4
227.03499	0.9
228.04251	1.1
239.94653	0.3
243.02998	0.5
244.03741	0.6
254.02248	0.5
255.03033	0.6
256.03735	1.2
259.06131	0.9
269.04675	0.4
271.02469	7.7
271.05460	0.5
272.03107	1.3
285.04166	0.4
287.05624	1.7
288.05872	0.3
299.01971	10.6
300.02744	10.8
301.03049	0.6
314.04321	8.9
315.05103	100.0
316.05435	8.7
316.18982	0.3
321.68185	0.3
376.23398	0.4
419.41150	0.3
477.10583	8.0
477.22470	1.5
477.30322	0.6
478.10779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
54.74863	0.2
59.01376	0.4
66.86688	0.3
67.65330	0.3
70.64263	0.7
72.67622	0.3
77.00038	0.3
77.68080	0.3
78.95904	7.3
84.07052	0.3
92.60049	0.3
110.33208	0.4
119.69187	0.3
137.88667	0.3
140.01187	2.1
152.99576	1.3
167.93146	0.3
171.00713	0.4
196.03778	1.3
201.01985	0.3
214.04861	2.8
261.22302	0.5
279.23279	100.0
280.23627	9.3
294.46823	0.3
476.27777	8.7
477.28293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83015	0.4
61.98813	0.7
62.96399	0.5
70.01328	2.0
77.44347	0.5
78.95905	41.5
96.96964	1.8
100.76440	0.6
122.00121	0.8
134.98531	0.6
140.01196	5.7
152.99588	5.7
171.00638	4.7
196.03798	11.1
211.63705	0.5
214.04834	2.1
230.68256	0.4
261.30649	0.5
278.04721	0.5
279.23288	100.0
280.23624	9.9
402.24210	0.6
476.27814	37.6
477.28201	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	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	0.4
71.41740	0.3
71.80905	0.3
78.95906	100.0
96.96963	8.5
98.37237	0.3
101.43600	0.3
125.02431	0.7
140.01189	0.4
150.98001	0.5
152.99590	17.3
169.01424	1.1
171.00644	18.0
214.05098	0.3
279.23297	2.6
300.24063	0.3
300.99966	0.9
302.00287	0.3
402.24179	2.2
476.27823	57.3
477.28122	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	475.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34287	0.5
55.01888	0.6
59.01384	100.0
60.01718	2.1
61.98833	2.1
62.75360	0.5
70.83508	0.4
71.01381	4.0
73.02967	1.4
83.01424	0.7
85.02975	1.5
87.30018	0.5
88.47608	0.5
89.02463	2.2
98.19953	1.4
101.02464	3.1
113.02476	2.1
119.03553	0.7
125.02473	2.2
161.04611	2.3
169.01430	2.4
268.19110	0.6
278.58551	0.5
301.00021	1.4
327.02014	0.6
355.21252	0.6
373.22433	2.8
399.07440	0.6
415.16531	0.7
415.23459	2.9
448.89920	0.6
472.43689	0.5
475.08969	1.0
475.29471	2.5
476.30627	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74936	1.0
59.01380	18.8
61.98832	15.0
71.01382	6.5
73.02933	2.0
74.31346	1.0
83.01415	1.6
85.02931	1.8
87.00895	1.2
89.02459	4.5
93.97240	0.9
95.01440	1.1
101.02442	4.5
107.01404	4.2
108.02166	1.5
111.00909	2.4
113.02464	2.8
114.01219	1.0
114.44526	1.1
114.75870	1.1
119.03541	1.6
123.00894	10.9
124.01683	1.4
125.02441	14.0
139.00362	5.5
140.01122	2.8
141.01959	2.1
151.00368	12.4
161.04564	1.4
161.75726	1.1
168.00626	4.7
169.01421	17.6
170.35828	1.0
198.47101	1.0
211.02490	2.3
229.40485	1.2
271.04587	2.6
313.05777	1.3
314.04684	1.3
358.28299	1.2
388.41937	1.1
413.14511	100.0
414.14850	11.1
414.40460	1.2
415.22964	1.7
416.23624	1.1
416.55130	1.0
477.10678	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	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41096	0.5
59.01379	100.0
60.01723	0.5
61.98837	1.2
71.01380	6.5
71.28590	0.7
72.99339	0.5
73.02960	2.5
82.81570	0.5
83.01369	0.7
85.02972	1.6
89.02456	3.3
93.03455	1.0
93.41603	0.6
101.02446	4.1
107.01353	0.6
113.02462	2.6
119.03555	1.8
125.02518	1.6
137.02480	2.3
137.91138	0.6
159.78743	0.5
161.04601	2.3
167.03578	1.0
169.01424	2.6
179.05710	0.7
181.04515	0.6
211.13434	0.8
275.02164	0.6
301.00015	1.1
331.25247	0.8
415.23685	1.6
475.30008	1.3
481.85623	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00580	0.9
59.01382	19.5
69.48098	3.4
69.48522	2.6
71.01386	8.8
72.99294	1.0
83.01382	1.0
85.02953	2.6
88.98820	5.9
89.02457	11.6
95.01383	1.1
97.02978	0.8
100.40804	0.8
101.02446	6.4
107.01395	6.5
111.00883	1.7
113.02447	4.4
119.03513	4.0
123.00899	4.3
124.01680	2.8
125.02459	36.1
130.57655	0.9
136.98769	1.8
139.00366	4.2
139.04047	0.9
140.01154	4.0
151.00378	2.6
159.80823	0.8
165.01926	0.8
166.99834	1.2
167.03497	1.6
167.99237	0.9
168.00652	17.7
169.01436	52.5
170.01697	1.3
197.57307	0.8
211.02483	80.4
211.33321	0.8
212.02818	3.1
241.03522	1.3
262.16232	1.0
271.04596	72.6
272.05002	4.2
300.99890	6.4
323.13458	25.4
324.13748	1.2
331.06714	3.3
429.14078	0.9
475.14532	100.0
476.14850	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87520	0.4
59.01379	100.0
60.01717	0.8
69.28883	2.5
69.29284	0.8
69.58104	0.3
71.01386	1.8
76.82851	0.3
78.57154	0.4
84.26952	0.4
85.02938	0.7
89.02467	1.8
95.76195	0.4
98.09637	0.4
101.02460	1.1
113.02453	1.2
119.03499	0.9
140.84547	0.4
160.17564	0.4
172.66904	0.4
179.05624	0.8
261.16263	0.5
267.77960	0.5
295.61444	0.4
297.49377	0.5
373.22467	0.8
415.23480	0.7
475.09058	0.5
475.25674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07375	0.5
59.01379	21.9
61.98817	1.8
69.03450	0.7
71.01003	0.8
71.01382	8.8
71.97501	0.5
72.99305	0.8
73.02944	3.4
76.33234	0.5
77.83269	0.4
83.01392	1.4
85.02954	3.9
87.00852	1.0
87.32819	0.5
89.02439	4.6
93.03457	0.6
95.01376	0.9
97.02953	0.8
98.00211	0.5
98.19827	0.9
99.00859	1.0
101.02448	6.5
103.04031	0.8
104.03563	0.5
107.01424	1.1
108.02153	0.9
109.02957	1.1
111.00893	0.5
113.02458	3.5
117.03468	26.0
118.03787	0.8
119.03515	1.5
119.05019	6.6
121.02952	2.1
122.03738	7.4
123.00955	0.6
123.04507	4.3
125.02448	4.1
131.03539	0.5
135.98372	0.7
137.02438	2.7
139.04015	1.7
143.03485	1.0
145.02951	100.0
146.03278	4.3
147.04561	0.6
161.02429	0.8
161.04582	2.8
163.03996	6.0
163.06122	0.7
169.01430	5.0
179.05603	0.8
187.04033	0.7
229.33975	0.7
235.08015	0.5
273.00363	0.6
300.99896	3.9
302.00333	0.5
307.08240	10.1
308.08670	0.6
313.10709	1.1
329.08792	1.0
381.14218	0.9
415.23422	2.0
431.13437	38.1
432.13831	4.5
433.24454	0.9
475.05734	0.9
475.12219	6.5
475.21619	2.6
476.12372	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0881
Annotation	Isoscutellarein 8-O-beta-D-glucuronide 6''-methyl ester
Peak:m/z	Relative Intensity
55.66387	0.6
58.15007	0.7
59.01381	15.9
61.98835	3.7
63.77225	0.7
70.60861	0.9
71.01388	4.9
73.02937	0.8
85.02964	1.1
89.02447	3.3
90.36998	0.7
93.03452	2.7
95.01350	1.0
98.20765	1.2
101.02447	2.9
107.01379	1.4
108.02177	1.1
113.02451	1.0
114.55428	0.8
117.03497	1.0
121.02927	1.5
123.00888	2.8
124.01642	1.1
125.02452	5.6
126.88577	0.7
128.02678	5.9
131.01389	1.2
131.03513	0.7
132.02187	1.3
133.02893	1.1
136.01575	0.9
137.02481	4.3
139.00339	0.8
145.02921	3.3
147.00819	1.6
147.04539	1.5
148.01637	2.1
149.04478	0.8
151.00319	1.4
156.02173	1.8
157.02852	1.1
159.00940	1.0
159.04533	0.9
160.01625	2.4
161.02480	5.2
161.04440	0.8
163.00311	1.3
163.04037	0.8
164.01178	1.0
167.04974	0.8
169.01395	3.2
171.00871	3.3
172.01656	3.4
173.02403	3.2
174.03169	1.6
175.00348	0.9
175.03979	1.7
176.01123	1.9
177.01944	2.2
181.12375	4.0
182.65758	0.7
183.02998	1.6
183.04489	1.1
183.13982	0.9
187.00322	4.6
187.04021	0.8
188.01083	1.3
189.01923	6.7
190.02629	1.0
190.99826	1.1
191.03448	0.9
192.00536	0.8
192.04094	0.8
195.04442	1.0
195.08165	0.9
197.06122	1.3
199.00331	1.9
200.01141	25.4
201.01913	8.5
202.99715	0.8
203.03459	1.8
205.01384	1.3
209.06050	1.2
211.03984	1.9
213.01860	1.1
214.02660	1.7
214.99850	8.9
215.03340	1.8
216.00606	5.9
216.04150	1.1
217.01414	4.9
219.02979	2.4
219.06578	4.2
223.04077	1.3
223.07661	1.2
226.99878	0.9
227.03479	1.4
228.00581	1.5
229.01419	4.6
231.02995	5.4
233.00900	0.8
237.05544	1.4
239.03603	1.1
239.07144	1.5
240.04172	2.2
241.01471	1.2
241.05208	1.1
242.99382	2.0
243.99866	1.0
245.00859	8.8
247.02473	3.0
250.02657	0.9
251.07121	1.7
253.05043	6.1
254.05785	2.3
255.03014	1.5
255.06537	1.1
259.02493	3.4
259.99622	11.4
260.02573	1.3
261.00098	1.4
261.04031	5.7
266.02231	0.9
267.02957	6.7
267.06570	4.3
268.07275	1.9
269.04395	1.2
269.08197	2.5
271.05991	0.8
273.04053	2.6
275.02008	3.2
279.06616	1.1
281.04501	3.0
283.09607	1.6
285.04086	5.8
285.06964	1.4
286.98447	4.9
287.99130	1.3
288.99963	1.4
295.02570	0.8
295.06097	2.0
296.06882	5.8
297.04123	1.2
297.07364	1.3
298.04764	2.7
299.05643	1.2
300.99451	0.8
311.09232	1.8
313.03931	1.1
313.07227	2.6
314.97815	2.2
319.00867	11.0
323.05560	2.7
325.03482	2.2
326.04352	1.5
327.08755	5.2
328.09225	1.0
355.08261	10.5
371.07614	1.3
387.10809	3.2
399.07288	4.1
400.07422	1.2
431.09909	6.1
443.06064	3.0
475.08789	100.0
475.29068	6.9
476.09186	11.8
476.29102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.77789	0.6
60.01724	1.0
60.99308	1.0
61.98827	2.1
71.01381	13.2
71.05027	0.7
72.99282	0.6
73.02943	5.8
76.22829	0.7
83.01392	2.4
85.02953	3.1
87.00887	1.5
87.59855	0.6
88.98811	6.4
89.02439	11.1
95.01393	1.4
98.01499	0.7
99.00874	1.0
101.02445	10.6
107.01401	1.5
113.02455	7.4
115.94124	0.6
119.03497	4.4
120.30119	0.6
125.02438	3.7
131.03506	0.6
135.04573	0.9
143.03482	2.0
145.02979	0.7
161.04559	4.1
161.05765	0.6
163.03937	0.6
169.01399	4.3
175.04022	0.7
179.05652	3.5
213.01965	0.8
227.03427	0.8
242.99217	0.7
254.99446	0.7
255.03246	0.8
257.00830	4.3
269.00888	2.0
269.98090	5.3
270.98831	9.8
271.02142	1.5
283.99585	2.2
285.00443	7.0
297.00397	4.7
297.97577	8.1
298.98346	16.5
299.01962	6.3
299.98691	1.6
300.99838	1.3
311.99072	2.1
312.99918	19.0
314.00598	13.7
315.00940	1.3
327.01413	12.1
328.02258	3.6
328.05774	0.6
329.03000	14.9
330.03458	1.3
415.23346	5.9
433.24109	1.0
445.04083	2.3
460.06412	4.9
475.08780	62.6
476.09076	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	475.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66387	0.6
58.15007	0.7
59.01381	15.9
61.98835	3.7
63.77225	0.7
70.60861	0.9
71.01388	4.9
73.02937	0.8
85.02964	1.1
89.02447	3.3
90.36998	0.7
93.03452	2.7
95.01350	1.0
98.20765	1.2
101.02447	2.9
107.01379	1.4
108.02177	1.1
113.02451	1.0
114.55428	0.8
117.03497	1.0
121.02927	1.5
123.00888	2.8
124.01642	1.1
125.02452	5.6
126.88577	0.7
128.02678	5.9
131.01389	1.2
131.03513	0.7
132.02187	1.3
133.02893	1.1
136.01575	0.9
137.02481	4.3
139.00339	0.8
145.02921	3.3
147.00819	1.6
147.04539	1.5
148.01637	2.1
149.04478	0.8
151.00319	1.4
156.02173	1.8
157.02852	1.1
159.00940	1.0
159.04533	0.9
160.01625	2.4
161.02480	5.2
161.04440	0.8
163.00311	1.3
163.04037	0.8
164.01178	1.0
167.04974	0.8
169.01395	3.2
171.00871	3.3
172.01656	3.4
173.02403	3.2
174.03169	1.6
175.00348	0.9
175.03979	1.7
176.01123	1.9
177.01944	2.2
181.12375	4.0
182.65758	0.7
183.02998	1.6
183.04489	1.1
183.13982	0.9
187.00322	4.6
187.04021	0.8
188.01083	1.3
189.01923	6.7
190.02629	1.0
190.99826	1.1
191.03448	0.9
192.00536	0.8
192.04094	0.8
195.04442	1.0
195.08165	0.9
197.06122	1.3
199.00331	1.9
200.01141	25.4
201.01913	8.5
202.99715	0.8
203.03459	1.8
205.01384	1.3
209.06050	1.2
211.03984	1.9
213.01860	1.1
214.02660	1.7
214.99850	8.9
215.03340	1.8
216.00606	5.9
216.04150	1.1
217.01414	4.9
219.02979	2.4
219.06578	4.2
223.04077	1.3
223.07661	1.2
226.99878	0.9
227.03479	1.4
228.00581	1.5
229.01419	4.6
231.02995	5.4
233.00900	0.8
237.05544	1.4
239.03603	1.1
239.07144	1.5
240.04172	2.2
241.01471	1.2
241.05208	1.1
242.99382	2.0
243.99866	1.0
245.00859	8.8
247.02473	3.0
250.02657	0.9
251.07121	1.7
253.05043	6.1
254.05785	2.3
255.03014	1.5
255.06537	1.1
259.02493	3.4
259.99622	11.4
260.02573	1.3
261.00098	1.4
261.04031	5.7
266.02231	0.9
267.02957	6.7
267.06570	4.3
268.07275	1.9
269.04395	1.2
269.08197	2.5
271.05991	0.8
273.04053	2.6
275.02008	3.2
279.06616	1.1
281.04501	3.0
283.09607	1.6
285.04086	5.8
285.06964	1.4
286.98447	4.9
287.99130	1.3
288.99963	1.4
295.02570	0.8
295.06097	2.0
296.06882	5.8
297.04123	1.2
297.07364	1.3
298.04764	2.7
299.05643	1.2
300.99451	0.8
311.09232	1.8
313.03931	1.1
313.07227	2.6
314.97815	2.2
319.00867	11.0
323.05560	2.7
325.03482	2.2
326.04352	1.5
327.08755	5.2
328.09225	1.0
355.08261	10.5
371.07614	1.3
387.10809	3.2
399.07288	4.1
400.07422	1.2
431.09909	6.1
443.06064	3.0
475.08789	100.0
475.29068	6.9
476.09186	11.8
476.29102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2862
Annotation	Progeldanamycin
Peak:m/z	Relative Intensity
61.98833	100.0
65.93880	2.4
108.19871	2.6
155.22169	2.4
205.15952	5.8
206.16325	6.4
228.36992	2.9
276.62354	2.3
309.87186	2.9
317.68082	2.8
317.72568	2.6
323.01743	2.4
458.25406	6.5
474.28494	62.2
475.28732	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	474.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
65.51595	0.3
67.91944	0.3
69.57442	0.2
71.01360	0.3
75.19243	0.3
78.95902	8.7
84.20747	0.3
96.96966	0.3
98.19887	0.8
140.01196	3.0
152.99550	1.0
169.01410	0.3
171.00664	0.5
182.57060	0.3
196.03821	1.0
214.04884	3.1
223.71497	0.3
233.22810	0.4
251.61345	0.3
259.20535	0.5
277.21710	100.0
278.22043	9.1
314.60980	0.3
329.93079	0.3
347.34729	0.3
396.97610	0.3
457.25983	1.0
474.26212	8.6
475.26974	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
69.95245	2.1
71.01389	0.5
75.43888	0.4
78.95904	42.7
84.50057	0.4
96.96951	1.4
122.00116	1.2
125.02489	0.8
127.07678	0.5
129.37675	0.4
140.01195	6.4
152.99574	5.7
166.99800	0.5
167.72154	0.4
169.01376	0.9
171.00620	3.8
179.40965	0.5
196.03801	13.8
204.46600	0.4
214.04836	3.6
275.20026	0.6
277.21710	100.0
278.22043	8.5
300.33807	0.5
402.15149	0.5
469.20175	0.5
474.26242	36.9
475.26727	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	474.2858
Annotation	Progeldanamycin
Peak:m/z	Relative Intensity
51.11707	1.3
58.81133	1.6
61.98832	100.0
66.14655	1.4
69.62124	9.0
75.40040	1.3
75.58894	1.6
78.64211	1.7
82.25440	1.7
88.35546	1.4
90.32190	1.4
92.01761	1.5
98.19952	1.7
105.15043	1.5
205.15976	8.6
206.16260	8.6
438.30881	3.2
458.25369	7.8
474.28552	72.4
475.28787	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	473.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59156	0.8
61.98800	1.9
64.69933	0.7
78.95906	2.0
100.61961	0.7
112.40457	0.9
114.36845	0.9
136.05312	0.9
145.02991	0.8
146.03716	3.2
147.04510	9.3
159.04543	5.8
161.06017	2.5
173.06061	1.3
174.03195	1.6
175.03969	5.7
175.07599	4.5
188.04755	1.5
189.05513	1.5
189.12759	1.6
190.06032	1.0
203.07129	5.7
205.09364	0.8
205.15965	23.0
206.16310	1.9
217.08540	1.2
245.34856	0.8
265.72351	0.8
354.19617	1.1
365.24902	1.8
379.26297	3.3
407.25873	4.8
408.26691	35.6
409.26727	5.9
437.30573	77.9
438.30893	11.4
457.25058	11.5
458.25864	1.2
473.28207	100.0
474.28506	14.2
490.25351	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94192	0.9
59.01381	100.0
65.55308	0.8
70.19115	3.2
71.01378	1.2
94.60696	0.9
98.19960	1.1
101.02457	2.2
141.89993	0.8
153.50552	0.9
158.78535	0.9
311.94751	0.8
371.20624	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	473.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15671	1.2
58.00579	2.8
59.01379	60.4
59.75071	1.7
61.98832	2.7
63.96281	1.6
65.93676	1.4
71.01381	28.5
71.51262	3.0
72.99316	2.5
83.53429	1.3
85.02941	6.0
86.63425	1.3
87.00887	1.9
89.02439	19.1
97.88451	1.2
99.00877	1.7
101.02453	15.8
113.02460	8.8
119.03522	7.7
125.02470	1.8
138.29919	1.3
160.54181	1.4
169.01447	1.4
183.13901	11.4
211.13318	2.7
231.12971	1.5
275.20044	2.9
293.21234	20.7
294.21750	1.7
311.22223	1.5
360.79630	1.7
387.82535	1.7
473.27524	100.0
474.27975	12.8
487.09195	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	473.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15671	1.2
58.00579	2.8
59.01379	60.4
59.75071	1.7
61.98832	2.7
63.96281	1.6
65.93676	1.4
71.01381	28.5
71.51262	3.0
72.99316	2.5
83.53429	1.3
85.02941	6.0
86.63425	1.3
87.00887	1.9
89.02439	19.1
97.88451	1.2
99.00877	1.7
101.02453	15.8
113.02460	8.8
119.03522	7.7
125.02470	1.8
138.29919	1.3
160.54181	1.4
169.01447	1.4
183.13901	11.4
211.13318	2.7
231.12971	1.5
275.20044	2.9
293.21234	20.7
294.21750	1.7
311.22223	1.5
360.79630	1.7
387.82535	1.7
473.27524	100.0
474.27975	12.8
487.09195	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	473.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18988	0.6
55.01878	0.7
56.05339	0.6
59.01378	100.0
60.01720	0.7
61.98824	5.6
65.97089	0.6
69.28280	5.0
69.28691	1.1
71.01380	7.1
72.99344	0.6
73.02956	3.2
83.01389	1.0
85.02962	1.6
89.02444	3.5
93.03471	1.0
95.01379	1.1
99.00917	1.0
101.02447	5.0
113.02469	3.1
118.58794	0.7
119.03517	1.4
120.99721	0.9
125.02437	3.2
126.99566	0.7
128.99257	0.8
135.04572	1.2
137.02454	1.2
146.79007	0.8
155.43552	0.7
161.04605	2.8
161.89363	0.7
165.09221	2.2
169.01439	4.0
179.10832	0.9
183.03009	1.3
210.10532	0.7
337.09219	0.7
413.21906	2.2
473.20660	3.0
473.27728	2.4
474.30719	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	473.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37260	1.0
59.01379	100.0
60.01709	0.9
69.92439	1.7
69.92795	4.7
81.63520	1.0
88.42156	0.9
90.22105	1.2
97.66630	0.9
112.23842	0.9
137.31413	1.0
150.65118	0.9
208.79750	1.0
218.51468	1.1
384.56326	1.2
397.34976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
57.03445	1.9
57.04615	0.4
58.00592	0.9
59.01381	100.0
60.01702	0.9
69.21372	4.7
71.01382	27.8
72.01730	0.6
72.99323	1.0
73.02951	14.6
75.00863	0.5
81.03474	1.4
83.01389	4.4
83.05023	3.1
83.24606	0.5
85.02952	8.7
87.00874	1.7
89.02447	15.4
95.01385	3.4
97.02966	0.9
97.06573	0.6
99.00878	1.5
99.04516	2.4
101.02443	16.5
105.01945	2.4
113.02452	24.0
119.03500	5.7
123.00903	0.8
125.02489	2.9
131.03560	1.5
135.98418	0.5
137.02336	0.6
143.03539	2.4
149.04507	0.8
159.10292	0.6
161.04550	6.3
165.09146	0.8
169.01410	3.2
169.12329	0.6
173.23651	0.5
179.05647	3.6
179.10794	0.8
180.45726	0.4
216.73962	0.5
217.83559	0.5
233.15474	0.6
269.17560	0.6
321.15738	0.7
343.17712	0.8
364.97549	0.5
395.20804	0.9
413.21796	6.2
414.22433	0.9
431.22745	4.4
473.16519	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81050	8.2
59.01372	23.2
69.54679	50.5
71.01379	14.1
98.20754	9.8
111.00797	11.1
123.00881	10.1
125.02432	42.8
140.01131	10.3
149.98859	7.6
151.00323	10.3
160.04002	22.7
168.00652	10.9
169.01419	100.0
169.07748	8.2
183.02972	80.4
213.73212	9.3
271.04626	13.0
313.05505	15.4
321.02490	12.7
343.51752	8.8
363.08743	10.1
473.12860	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58844	2.5
59.01379	100.0
61.68234	2.4
61.98822	9.0
71.01384	8.6
71.52164	4.5
81.94482	2.9
101.02460	6.8
113.02477	4.5
121.02945	5.1
146.96878	3.2
154.23993	2.8
161.04556	2.9
162.61385	2.6
169.01492	3.8
184.21449	2.8
249.18704	3.4
267.19604	11.3
293.17639	6.9
311.18616	18.3
311.21600	3.6
327.01392	6.0
357.06433	4.3
441.04709	9.1
473.07300	20.6
473.27701	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89175	2.4
59.01355	4.0
63.25221	2.1
65.63354	2.2
85.92680	2.3
112.70661	2.3
112.90981	2.3
125.02477	2.7
130.25131	2.8
155.76404	2.6
194.34755	2.2
276.34103	2.4
277.21725	100.0
278.22003	7.9
413.30249	3.9
471.34598	9.2
472.35428	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	471.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66310	4.5
59.01386	100.0
61.98818	8.6
63.57851	5.5
71.01379	30.7
71.52821	7.7
73.02953	6.4
81.88165	4.5
85.02949	8.3
89.02452	36.9
99.00891	8.3
101.02452	29.8
103.39412	4.9
113.02454	11.5
119.03539	6.6
125.02442	9.5
131.03481	9.5
149.04512	23.3
161.04587	5.5
165.01822	6.0
169.01424	6.3
191.05719	5.7
203.26448	4.9
209.11792	10.2
247.58450	6.5
251.07635	5.5
255.59644	4.8
315.05212	8.9
322.54459	5.3
435.22443	57.9
436.22894	6.2
471.20078	38.1
471.25705	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	471.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75172	0.3
57.19555	0.5
59.01379	100.0
60.01707	0.9
61.98830	7.3
64.82933	0.4
69.29693	3.1
71.01388	2.1
72.87187	0.4
73.02945	3.3
73.63866	0.3
83.01389	1.0
85.02958	0.8
88.55587	0.4
89.02454	1.0
95.95594	0.4
101.02441	5.1
113.02499	1.0
123.00880	0.6
125.02483	1.1
137.02361	0.4
161.04590	0.9
169.01489	1.4
176.79449	0.4
186.10138	0.4
211.13416	0.8
239.67520	0.4
249.14966	0.9
262.16830	0.4
297.08893	0.5
309.20807	0.5
471.18451	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	471.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03737	0.5
55.01881	0.6
57.03438	0.4
59.01380	17.8
59.96213	0.5
61.98830	10.4
67.01880	1.2
69.03455	0.6
71.00964	0.6
71.01377	11.8
71.51610	0.8
72.99302	1.3
73.02938	0.9
79.01894	1.2
81.03442	0.9
83.01382	1.6
85.02945	2.1
87.00873	0.8
89.02446	10.2
95.01408	3.7
97.02937	0.6
99.00868	0.9
101.02446	10.8
107.01384	4.1
111.00888	2.5
113.02457	5.1
117.26688	0.4
119.03497	4.8
123.00887	15.0
124.01712	1.0
125.02444	25.4
126.02770	2.8
127.00425	0.6
127.02898	0.7
134.03697	2.0
136.98811	1.4
137.02367	0.6
139.00366	5.8
139.07658	7.2
140.01166	3.8
141.01921	1.1
151.00368	9.9
153.01895	0.7
157.08673	1.6
161.04474	0.8
165.02051	0.6
166.99838	0.6
167.03590	0.5
168.00616	4.7
169.01425	32.2
170.01762	6.5
171.01862	3.1
193.04974	1.2
195.24986	0.5
211.02484	5.5
241.03619	0.7
271.04657	3.5
295.10266	3.1
313.05475	1.1
319.10223	1.2
319.13965	22.5
320.14307	1.3
427.15955	3.2
429.14066	0.5
453.13861	5.1
470.55264	1.2
471.15021	100.0
472.15399	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	471.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22549	0.8
59.01106	1.2
59.01381	14.6
61.98833	4.4
67.01890	0.8
69.03455	1.8
71.01382	11.5
71.24612	0.7
71.51978	1.1
72.39238	0.7
72.99316	1.3
73.02951	3.7
74.02441	1.0
79.01897	1.4
80.96509	3.5
82.95424	1.0
83.01389	2.4
85.02942	3.6
87.00867	0.8
89.02440	7.5
94.98109	1.0
95.01398	2.8
95.05024	0.8
97.02966	1.6
97.06577	1.6
99.00892	1.6
100.80933	0.7
100.81580	0.7
101.02444	9.8
104.03527	0.9
107.01394	5.2
108.02308	0.7
111.00878	2.7
113.02458	5.5
119.03517	2.7
123.00883	17.4
124.01675	1.4
125.02442	31.5
126.02757	5.5
127.00405	1.1
127.02940	1.4
128.77219	0.7
134.97716	0.9
136.98853	1.6
137.02455	1.2
139.00378	5.8
139.07599	0.9
140.01141	3.1
141.01900	1.2
149.99594	1.6
151.00348	9.3
152.01109	0.8
153.01935	1.1
161.04544	1.6
166.99875	1.1
168.00627	7.4
169.01430	36.5
170.01778	7.0
171.01900	4.4
172.02176	0.8
179.05643	1.1
198.17703	0.7
211.02451	5.9
225.00621	1.0
271.04553	5.3
310.13245	0.8
313.05698	2.0
319.13950	13.3
320.14401	1.2
394.04974	1.7
394.55084	1.3
427.16071	8.6
428.16580	2.0
453.14005	5.5
471.15192	100.0
472.15491	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	471.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17059	0.4
59.01378	1.6
60.37569	0.4
61.98820	1.3
66.72834	0.4
71.01375	1.1
72.99337	0.4
73.02946	1.5
75.92039	0.4
77.70451	0.4
81.03455	0.6
83.01396	0.4
83.05029	0.9
85.02954	1.5
89.02459	0.5
93.03480	4.5
95.01411	0.4
95.05034	1.1
96.96011	0.7
98.19858	0.9
99.00891	0.7
101.02478	0.6
102.34475	0.4
107.01401	0.7
108.02206	0.8
109.02958	1.2
111.04561	2.0
114.05606	0.5
115.92017	0.4
116.92872	0.4
121.02994	1.0
122.03716	0.7
123.00911	1.1
123.04537	73.4
124.04885	2.7
125.02457	4.7
126.02775	0.7
137.02460	1.7
151.00377	0.8
152.01120	0.7
153.05592	100.0
154.05936	3.3
155.03505	1.0
163.04070	0.7
168.00633	0.9
169.01411	5.6
170.01775	1.0
173.04555	5.0
174.04764	0.4
175.04987	0.4
203.03439	0.8
210.06859	0.5
211.02460	2.4
211.07640	0.6
221.04564	0.8
271.04611	2.2
279.14615	0.6
297.09848	2.2
301.00104	0.7
314.06119	0.8
315.10931	3.3
389.10904	0.4
471.10510	4.0
471.14862	2.9
472.15308	0.9
493.47607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.7
61.98829	2.2
69.03483	1.0
69.63340	0.5
71.01373	4.2
73.02947	1.8
81.36767	0.5
85.02962	2.2
87.00884	0.8
89.02450	1.9
89.31855	0.5
93.03456	0.9
95.01401	1.0
97.02938	0.7
99.00887	0.7
101.02447	2.6
103.62222	0.6
107.01395	1.0
108.02176	22.4
109.02966	8.9
113.02461	1.3
117.03470	16.4
118.03767	0.7
119.05030	100.0
120.05367	3.6
120.99677	0.8
121.02985	0.8
123.00904	1.6
123.04516	0.5
125.02465	5.6
131.39542	0.5
137.02489	0.5
139.00397	0.7
141.49249	0.5
145.02956	60.5
146.03299	2.9
151.00351	0.8
151.99330	0.9
152.01149	16.0
153.01935	5.1
159.04532	0.5
161.04547	1.6
161.05989	0.8
163.04013	83.0
164.04346	4.1
168.00648	0.9
169.01436	6.1
170.01715	0.8
173.11797	1.9
178.24860	0.6
243.04858	2.1
244.05276	0.7
301.34308	0.7
307.08231	33.2
308.08612	2.2
360.54019	0.6
471.12869	15.5
471.18777	30.5
472.13159	2.3
472.19080	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	471.1146
Annotation	Clofazimine
Peak:m/z	Relative Intensity
53.50041	0.6
55.01846	0.8
58.72702	0.7
59.01377	1.5
61.90573	0.6
69.03453	0.6
71.01390	4.9
73.02940	2.0
81.03445	1.6
83.01381	3.2
83.05029	3.3
85.02953	3.7
86.50120	0.6
93.03467	9.3
95.01379	1.8
97.02984	0.7
98.19855	1.2
101.02444	1.9
107.01414	0.8
108.02181	46.2
109.02967	35.5
110.03260	1.3
111.00884	2.8
111.04527	8.5
113.02457	2.0
116.99500	0.6
121.02955	1.5
123.00873	1.9
123.04510	0.8
125.02422	2.1
127.04013	1.5
135.04486	0.7
137.02457	6.5
151.03993	1.7
152.01160	55.0
153.01955	22.2
155.03548	1.7
161.04507	1.1
163.04021	2.4
165.01880	1.6
169.01437	2.2
173.04480	1.9
179.78162	0.7
219.02899	0.7
297.06235	0.8
315.07230	20.4
316.07550	0.9
339.24142	0.7
384.13986	0.7
435.09088	1.1
453.10352	8.5
454.10654	0.9
471.11447	100.0
472.11710	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	470.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29576	0.5
52.59284	0.5
59.01395	0.8
61.98831	100.0
69.29327	3.0
69.29736	1.3
78.59389	0.6
107.01391	1.2
108.75571	0.6
123.00878	0.8
125.02453	8.2
126.02787	1.6
139.00415	0.6
166.99864	0.8
169.01416	11.3
170.01775	2.7
221.47536	0.5
375.02481	0.5
407.05545	0.6
464.40515	0.7
469.55347	0.6
471.35666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.7
61.98831	100.0
68.00761	0.7
71.01385	0.9
73.52254	1.0
78.86385	0.8
98.19879	2.0
107.01435	2.0
123.41711	0.8
125.02445	12.5
126.02771	2.8
139.00404	0.9
169.01424	16.1
170.01733	3.4
208.63498	0.8
280.39371	0.8
385.16626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
61.98806	1.5
71.01375	5.7
73.02952	2.1
82.28355	1.4
83.01377	3.9
83.05014	3.9
85.02943	3.6
86.38913	1.4
93.03466	11.9
99.00925	1.7
101.02469	1.4
102.28306	1.7
108.02170	49.1
109.02954	39.9
111.00889	2.5
111.04526	7.7
113.02456	2.5
125.02512	1.8
135.00851	2.5
137.02443	94.8
138.02805	5.2
152.01147	56.0
152.02406	2.5
152.94762	1.3
153.01935	23.0
155.03468	3.5
163.03943	2.3
165.01897	1.5
169.01402	1.6
173.04510	2.0
179.03481	1.9
263.87677	1.5
297.06390	1.6
299.07709	14.3
300.11133	1.6
315.07187	17.9
397.88232	1.7
404.15579	2.0
429.15463	1.7
435.09641	2.1
453.10580	8.2
471.11429	100.0
472.10999	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	470.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02965	3.2
59.01379	2.2
61.98812	1.8
67.01880	1.1
69.42312	5.9
69.42625	1.3
71.01379	5.4
73.02946	0.8
73.20093	0.7
79.01894	2.6
81.03471	1.0
85.02953	0.8
90.01154	0.8
90.41417	0.7
95.01382	2.6
97.02940	1.5
99.04524	1.6
100.07695	1.5
101.02451	1.2
107.01400	8.4
109.02937	0.8
111.04510	1.0
113.02486	1.8
114.05610	45.7
114.09252	7.0
123.00882	21.5
124.01663	1.1
125.02446	32.4
126.02737	1.1
128.07129	1.0
137.02466	1.4
139.00385	6.5
140.01134	1.5
141.01907	2.1
142.08728	8.2
151.00374	17.1
153.01909	1.6
156.06657	26.8
157.06992	0.9
167.03471	1.8
168.00594	4.0
169.01418	60.9
170.01733	2.9
170.08228	16.7
183.03043	1.5
186.02332	0.8
193.01411	1.9
195.02939	2.4
198.07677	3.6
211.02464	11.8
241.03717	0.9
253.03548	1.5
255.06480	1.3
271.04602	1.4
288.98856	0.8
313.05615	12.3
410.11078	0.9
470.13055	100.0
471.13492	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	470.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71780	0.4
54.65271	0.4
59.01384	3.1
61.98814	0.7
63.41454	0.4
65.33574	0.4
66.66243	0.5
67.01899	0.5
69.03469	1.0
69.35278	3.6
69.91467	0.4
71.01382	7.6
73.02939	0.7
79.01888	0.9
81.03454	0.4
83.01388	0.9
85.02952	1.7
86.55631	0.4
87.72885	0.4
89.02463	1.1
95.01401	1.2
97.02941	1.0
101.02446	2.0
101.06074	0.7
107.01393	10.1
110.00091	0.5
111.00887	1.5
113.02452	1.8
114.05606	9.1
123.00892	7.9
124.01700	1.2
125.02447	63.0
126.02787	2.2
127.00343	0.6
136.98904	0.6
137.02464	0.9
139.00386	2.6
140.01181	2.0
140.23952	0.4
145.02968	0.7
149.02570	0.5
149.69179	0.4
151.00365	6.4
153.01851	0.6
156.06703	2.0
160.32501	0.4
165.01907	0.8
168.00653	4.4
169.01419	100.0
170.01768	3.9
179.03506	0.6
193.01459	0.5
207.02916	0.5
211.02489	7.9
241.03549	5.7
242.03851	0.6
251.71307	0.4
253.03593	0.6
271.04581	16.6
280.59348	0.4
313.05640	84.4
314.05972	6.2
331.06631	1.7
394.04813	0.6
410.11008	1.6
470.13058	36.2
471.13370	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	469.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07563	1.3
54.95671	1.5
55.01874	3.4
57.03441	2.7
59.01381	78.2
61.98825	23.0
63.41831	1.5
67.01891	1.8
68.99799	1.5
69.03459	3.2
71.01385	32.8
71.52254	1.7
72.99310	2.0
73.02956	13.2
79.01871	1.9
83.01395	8.7
83.77378	1.3
85.02944	16.5
87.00825	1.7
89.02435	7.2
93.03454	1.3
95.01387	5.7
97.02927	2.9
99.00874	5.5
101.02446	37.1
107.01395	10.2
111.00875	2.6
113.02443	12.4
117.03429	1.8
119.05004	15.1
123.00915	10.7
124.01700	1.7
125.02447	75.2
126.02773	4.9
131.03505	40.7
132.05804	1.9
133.06575	5.9
137.02484	3.4
139.00325	3.9
140.01157	1.9
142.67946	1.7
143.03528	2.0
145.02948	11.1
151.00360	3.1
159.03014	2.9
159.04457	1.7
159.10242	1.5
161.04530	8.9
161.06052	11.7
163.04004	16.9
163.11267	1.5
166.99850	6.0
168.00591	4.7
169.01419	96.7
170.01756	7.5
177.05614	6.8
178.99902	1.8
193.01285	2.6
205.05032	15.7
211.02505	1.7
219.42491	1.4
235.06110	4.6
241.03525	3.3
245.00830	1.9
265.07172	11.7
277.16559	100.0
278.16888	7.0
307.19006	1.7
317.03864	6.3
323.13330	7.9
384.54459	1.6
393.04849	8.0
393.54590	3.7
409.20865	18.8
451.30899	1.5
469.06085	2.0
469.16806	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08634	0.6
59.01364	0.8
62.01596	0.6
70.02222	0.6
70.98518	1.1
70.98833	0.8
71.01403	0.9
78.95906	1.0
93.03475	0.8
95.01306	1.0
95.04968	0.6
96.96011	1.5
96.96973	1.1
103.79686	0.6
108.02268	0.8
109.02991	1.0
113.40322	0.7
114.05637	0.9
117.07085	1.1
123.00912	2.0
124.01657	1.3
125.02438	2.9
127.05522	1.3
129.07095	2.6
143.05067	0.8
145.06552	3.1
147.04521	0.7
155.05019	1.7
156.05797	1.1
157.06567	5.2
165.01947	0.7
169.01408	3.1
171.04512	1.0
173.06113	4.6
175.04016	2.4
183.04488	1.1
189.05597	1.1
190.02774	0.9
191.03391	1.0
191.05667	0.8
195.06607	1.1
199.03989	1.3
200.04729	5.8
201.05565	100.0
202.05911	6.1
203.03513	1.8
203.75337	0.7
216.74487	0.7
217.05049	2.1
219.03050	1.5
219.06540	1.0
226.10416	0.6
235.98494	0.7
245.04564	13.5
261.03909	1.0
262.04755	3.0
263.05582	27.4
263.08392	1.5
264.05917	1.5
289.03516	2.3
301.00137	0.7
306.03656	1.0
307.04587	69.9
308.04858	4.1
354.16608	0.6
405.03485	0.6
425.10757	1.8
461.55426	0.6
464.35785	0.7
469.09818	60.7
470.09637	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	469.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02972	1.0
59.01395	2.0
69.93671	3.0
71.01367	2.1
78.95891	1.2
93.03439	1.4
95.01386	1.0
96.95998	0.9
96.96962	2.0
98.20560	1.1
109.02917	2.6
111.04518	2.0
123.00898	3.0
124.01665	1.4
125.02466	7.5
127.05482	1.1
129.07115	3.2
131.05101	0.9
145.06581	3.2
146.03786	1.2
147.04550	2.5
151.00333	1.6
155.05014	1.8
157.05371	1.5
157.06578	13.6
159.04482	2.3
161.02412	1.4
161.06073	1.2
169.01453	4.5
171.04497	2.5
173.06046	7.1
174.03218	1.4
175.03987	5.1
177.01913	2.4
183.04468	2.2
189.05600	1.1
190.02684	7.9
191.03490	4.2
199.04022	2.7
200.04779	3.9
201.05563	56.4
202.05914	4.1
203.03508	13.5
217.05016	5.7
219.02940	6.8
227.03468	2.2
235.06300	1.1
245.04662	4.5
262.04794	6.7
263.05585	100.0
264.05930	6.3
289.00592	1.1
289.03369	4.3
306.03720	2.4
307.04581	95.2
308.04941	8.5
313.05740	1.1
349.05588	1.5
425.10550	3.5
469.09827	89.5
470.09824	9.2
483.53677	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
61.98807	0.7
70.78818	1.1
70.79154	0.9
71.01385	0.7
101.03954	1.3
109.02986	0.9
113.02485	0.7
117.07117	1.2
123.00921	1.0
123.04570	1.0
125.02440	9.6
126.02795	1.1
127.05508	1.2
129.07111	2.8
137.02406	1.3
145.06612	4.0
147.04433	1.1
151.04008	5.4
155.04999	2.9
156.05760	1.8
157.06586	3.5
159.04564	1.2
161.02428	1.6
163.03951	0.9
165.01924	1.8
165.03935	0.8
169.01433	8.9
171.04543	1.4
173.06062	7.7
175.00432	1.3
175.04004	6.1
176.04680	1.3
177.05583	1.7
179.03500	0.9
180.04317	1.1
183.04535	2.0
191.07014	1.0
193.01350	4.2
195.06595	2.3
199.03918	1.4
200.04767	5.8
201.01924	1.7
201.05576	73.4
202.05917	5.1
203.03391	1.0
204.86595	0.7
215.03514	3.7
217.01317	0.9
217.04964	2.1
218.02238	2.0
219.02956	0.9
219.06616	8.4
220.06903	0.7
227.03476	2.7
245.04520	28.8
246.02130	0.8
246.04845	2.2
262.04715	1.4
263.05569	5.8
271.02429	2.0
289.03537	49.1
290.03809	3.8
306.03824	3.3
307.04587	100.0
308.05020	5.6
313.05594	1.9
349.05380	1.2
371.91098	0.7
387.09470	1.3
421.15295	0.8
425.10345	1.1
451.08878	1.3
469.09839	72.8
470.09680	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	468.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.03492	0.6
69.78767	0.7
76.40502	0.6
79.37082	0.6
98.20685	1.3
103.88935	0.7
107.01379	2.1
123.00915	1.9
125.02448	9.4
133.06383	0.6
166.99870	1.1
169.01410	11.2
259.84018	0.7
343.65024	0.7
453.10013	0.7
469.05130	0.9
473.80042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13132	0.7
56.75307	0.6
58.36556	0.6
61.98829	100.0
62.32961	0.6
72.02644	0.6
88.77263	0.7
95.01373	1.7
97.02968	0.7
98.20658	2.0
107.01411	2.5
123.00875	3.9
125.02452	16.5
125.03335	1.2
139.00436	1.0
139.18347	0.7
150.18556	0.6
166.99881	1.8
168.00580	1.1
169.01418	19.6
230.76222	0.7
277.03339	0.7
283.41635	0.8
300.99960	1.8
317.04236	1.0
393.04626	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03446	1.4
59.01381	32.9
61.98832	100.0
64.45142	0.7
69.03465	1.6
71.01384	15.0
71.52493	1.4
72.81180	0.8
73.02937	4.9
74.09870	0.9
77.68766	0.9
81.84947	0.9
83.01392	4.1
85.02960	8.6
85.38789	0.9
89.02436	4.3
93.03470	3.1
95.01390	3.1
97.02966	2.1
97.97572	0.8
99.00893	2.7
101.02447	13.8
107.01408	5.3
108.02171	1.7
111.00906	1.3
113.02435	5.9
114.05175	0.9
117.03478	0.8
119.03551	1.6
119.05019	9.1
121.03018	0.9
123.00900	5.7
124.01706	1.8
125.02454	35.5
126.02783	1.1
129.01993	1.0
131.03516	13.7
133.06612	4.1
137.02460	2.9
138.02753	1.0
139.00404	1.6
143.03554	1.3
145.02921	5.9
147.04504	1.1
147.39450	0.9
151.00356	1.6
161.04587	3.7
161.06082	6.7
163.04013	11.0
166.99846	3.0
168.00671	2.1
169.01428	47.1
170.01733	2.0
177.05554	4.5
178.99948	0.9
191.07152	1.0
195.04836	1.2
205.05066	10.2
211.02470	1.9
211.13348	3.1
224.04408	0.9
235.06187	3.2
241.03619	1.7
265.07166	5.5
277.16544	37.1
300.99969	4.9
317.03824	3.2
323.13647	4.2
368.87646	1.3
391.03027	0.8
393.04697	4.7
409.20813	7.2
447.05460	1.3
465.06543	1.0
468.08597	1.2
468.23465	1.6
469.05588	1.3
469.17053	13.9
480.75620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12115	0.6
53.33100	0.8
55.44043	0.7
59.01382	3.9
61.98831	100.0
67.01894	1.0
69.03441	1.0
69.22134	7.8
71.01410	1.3
79.01904	0.9
95.01393	2.3
96.96075	0.8
107.01421	3.7
108.02236	1.0
113.02458	1.3
123.00874	6.4
123.04517	0.9
124.01606	1.0
125.02449	26.2
134.00278	0.8
136.98830	0.8
137.02434	1.7
139.00439	1.3
140.01138	0.9
151.00343	0.9
152.01086	0.8
166.99876	1.5
168.00641	3.0
169.01419	39.1
170.01843	0.8
175.04085	0.9
203.03532	0.9
211.02505	1.4
222.30702	0.8
241.03688	1.5
292.19580	0.8
295.04825	1.1
300.99933	2.6
307.19012	4.1
317.04160	2.2
326.46469	0.8
353.97336	0.9
393.04871	3.6
412.35950	0.8
465.07144	1.0
465.81018	1.0
468.19183	1.3
469.05490	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92041	1.5
58.00594	4.0
59.01381	100.0
60.01717	1.4
61.98830	2.5
65.51331	1.6
69.03452	1.5
71.01387	27.9
72.99303	5.3
73.02946	24.7
83.01392	2.7
84.47291	1.5
85.02961	11.9
87.00879	7.0
87.04512	3.2
89.02452	32.4
95.01388	1.6
98.69469	1.6
101.02445	46.6
103.04005	19.2
107.01421	2.1
108.02159	3.9
109.02947	1.9
113.02464	6.8
114.32264	1.3
115.04003	8.8
119.03493	13.3
123.00859	3.7
125.02453	14.6
127.04015	2.7
131.03465	8.5
143.03535	12.3
145.05054	6.3
146.59138	1.4
151.47707	1.6
152.01118	3.0
153.01952	1.8
161.04565	1.5
163.06128	71.9
164.06511	2.8
165.79208	1.4
166.99884	2.0
169.01443	11.6
171.10315	2.4
179.05609	3.6
183.02956	3.9
191.05693	2.0
205.07178	25.3
257.12985	1.4
261.13525	2.2
265.09210	5.4
266.07745	1.5
273.03094	2.9
274.03580	1.8
275.03650	1.8
300.99875	4.7
301.02942	1.9
302.03290	3.7
303.03741	3.3
304.03973	3.3
383.32092	1.7
407.19199	35.4
408.19534	2.9
467.09299	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	467.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17992	0.3
55.01882	0.4
57.03440	0.3
59.01379	6.8
61.98822	0.7
62.55470	0.2
67.01870	0.8
69.03451	0.6
69.38055	0.5
69.38457	1.8
71.01380	3.4
72.99306	0.6
73.02928	0.5
75.60674	0.3
79.01905	1.1
81.03455	0.3
83.01389	0.7
85.02953	1.3
89.02451	1.9
93.03435	0.5
95.01388	1.9
97.02946	0.8
99.00903	0.3
101.02419	1.6
107.01385	4.0
109.02982	0.5
111.00889	2.0
113.02442	1.3
119.03506	0.5
119.05078	0.4
123.00887	10.1
124.01745	1.5
125.02452	18.3
126.02805	0.6
127.00385	1.0
136.98784	1.0
137.02422	0.9
139.00380	4.5
140.01157	3.2
140.19991	0.3
141.01973	1.3
146.03778	0.3
151.00372	8.3
151.04031	0.3
152.01088	0.5
153.01923	0.7
153.24960	0.3
163.03983	0.4
165.01917	0.4
166.99828	0.5
167.03526	0.6
168.00667	6.2
169.01428	27.3
170.01802	1.1
183.03036	0.3
193.01561	0.3
211.02473	15.8
212.02766	0.8
214.98007	0.3
235.67310	0.2
241.03505	0.3
271.04587	9.6
272.04840	0.5
300.99957	0.6
313.05634	0.8
390.55875	0.3
467.19196	100.0
468.19461	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	467.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
62.51534	0.5
65.00313	0.5
69.03458	1.0
71.01379	2.8
72.37237	0.5
73.02935	1.1
79.01892	1.4
81.03455	1.4
83.01413	0.9
85.02937	2.0
95.01391	1.7
96.96037	0.6
97.02961	1.8
101.02437	1.4
103.00444	0.6
107.01395	6.4
108.02177	26.3
109.02962	14.2
109.94805	0.5
111.00881	2.1
112.98814	0.6
113.02418	2.1
121.02945	0.6
123.00887	9.7
123.04479	0.6
124.01674	0.9
125.02445	28.8
126.02783	0.9
127.00345	0.7
135.00859	1.3
136.98793	0.8
137.02455	0.7
139.00395	3.2
140.01151	2.1
141.01967	1.2
151.00356	6.7
151.03998	1.2
152.01147	32.3
153.01944	10.7
154.02191	0.5
163.04066	1.1
165.01906	0.8
166.99910	0.8
168.00603	2.0
169.01419	41.4
170.01724	2.0
177.01933	0.8
193.98558	5.6
194.99237	1.1
211.02440	1.2
219.11885	0.6
223.02664	0.8
237.89503	0.5
247.02229	0.6
261.04382	0.8
273.00372	0.7
297.06104	1.3
299.99136	1.1
300.99823	4.1
302.00244	0.7
313.05603	7.7
315.07208	14.5
316.07648	0.7
387.09406	1.1
423.09296	23.7
424.09579	2.1
449.07315	2.0
467.08258	100.0
468.08600	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	467.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.9
57.19313	1.0
59.01378	1.2
61.86274	0.9
61.98812	1.5
69.03452	1.0
70.84367	1.6
71.01393	3.8
73.02907	1.0
79.01910	1.0
85.02932	2.4
90.95047	0.7
92.63238	0.7
95.01345	2.7
97.02932	1.3
101.02413	1.9
107.01391	10.0
108.01491	1.4
108.02180	27.2
109.02967	16.6
111.00848	2.0
113.02420	1.2
123.00885	13.3
123.04522	8.5
123.96509	0.8
124.01645	1.3
125.02447	39.3
135.00868	1.0
136.98842	0.8
139.00377	4.3
140.01093	3.0
141.01903	1.4
146.04900	0.8
151.00363	8.5
152.01149	39.9
152.68716	0.9
153.00906	0.8
153.01956	12.2
153.05568	8.1
163.03976	1.2
168.00676	4.9
169.01416	53.6
170.01692	2.9
179.03439	1.0
193.98566	6.5
195.36145	0.8
199.79094	0.9
211.02408	1.9
225.04044	0.8
241.03346	1.0
275.01996	1.1
297.06140	1.6
300.99872	4.2
313.05621	12.6
315.07220	15.0
423.09277	24.4
424.09457	2.5
449.07166	2.1
467.08057	100.0
468.08521	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	467.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68721	0.6
66.65305	0.6
67.01886	0.8
69.03429	1.0
69.43070	1.4
69.43487	3.5
71.01385	3.6
79.01904	1.2
83.01402	1.0
85.02950	1.1
95.01375	1.4
101.02423	1.5
105.09399	0.7
107.01389	5.0
108.02172	21.3
108.02917	1.1
109.02967	11.2
111.00845	1.6
113.02475	1.2
121.02958	1.3
123.00896	8.2
123.04494	1.0
124.01693	0.9
125.02446	22.2
133.02940	0.8
134.24265	0.6
135.00847	1.2
136.98788	1.3
139.00378	2.7
140.01132	1.9
141.01877	1.1
151.00372	5.4
151.04019	0.8
152.01147	31.8
153.01949	9.0
165.01935	0.9
168.00699	3.1
169.01430	36.5
170.01775	1.4
193.98567	6.3
194.99231	0.7
211.02380	1.2
276.66055	0.6
297.06244	1.1
300.99866	2.6
313.05655	7.8
314.06036	1.0
315.07208	13.6
316.07468	0.9
423.09311	21.7
424.09668	2.6
449.07294	2.0
467.08270	100.0
468.08603	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	467.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.1
58.88810	0.5
59.01370	0.8
69.03452	1.0
69.35683	4.4
69.36027	0.9
71.01380	0.7
77.70643	0.5
79.57790	0.5
81.03457	2.1
83.01390	3.6
86.40429	0.5
89.02473	0.6
95.01381	0.8
95.05030	1.1
96.96023	3.9
97.02940	2.2
107.01392	2.4
108.02174	5.9
109.02979	3.5
113.02430	0.9
119.05011	1.6
123.00902	2.6
123.04515	1.9
125.02444	100.0
126.02799	3.0
126.70270	0.6
135.00922	0.5
137.06046	2.8
139.00380	0.9
139.03999	2.3
141.33588	0.6
149.02434	8.7
151.00368	1.7
152.01161	6.8
153.01904	2.6
153.05574	1.9
156.29517	0.5
163.04051	2.8
166.99785	0.6
167.03482	3.0
168.00679	0.9
169.01421	17.7
170.01875	0.7
179.03607	1.2
181.05083	4.8
193.98503	1.1
201.01907	0.6
205.04994	1.1
225.03998	4.3
231.02863	0.6
247.02614	0.7
249.04054	1.5
267.04968	0.6
271.04639	0.8
275.01962	0.9
287.07425	0.6
299.99100	1.2
300.99887	7.0
302.00247	1.4
311.60471	0.5
313.05606	2.1
315.07095	3.5
339.86447	0.6
387.09314	50.5
388.09604	4.8
423.09418	4.3
425.83633	0.6
467.08261	16.0
468.08755	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	466.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88825	1.1
59.01365	1.2
61.98835	100.0
62.96408	1.3
70.16142	1.0
70.43044	1.2
76.45566	1.1
78.95927	2.0
81.58334	1.0
103.89610	0.9
107.01380	1.5
125.02432	2.1
133.51045	1.3
146.13623	1.3
169.01424	2.8
217.23140	1.2
222.97809	1.2
300.99814	2.0
307.88699	1.3
374.22061	1.1
451.08096	1.3
466.13083	1.9
467.07843	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03448	4.0
58.00592	4.1
59.01378	95.8
60.01715	1.3
61.26013	0.3
61.98830	5.7
65.00331	0.4
67.01876	0.6
68.99779	0.4
69.03466	0.8
69.27035	2.8
71.01380	69.6
72.01712	1.2
72.99310	5.2
73.02948	5.9
75.00864	1.1
81.03455	0.5
83.01387	5.3
85.02947	14.3
86.03313	0.5
87.00877	3.5
87.63942	0.3
89.02443	100.0
90.02784	1.7
93.03447	0.6
95.01392	4.2
97.02962	1.1
99.00881	4.7
101.02442	42.1
102.02781	0.9
102.07363	0.4
107.01377	1.7
107.05060	0.6
108.02191	1.1
109.02963	2.3
111.00887	1.3
111.56537	0.4
113.02448	24.1
114.02738	0.9
116.62517	0.4
119.03500	23.1
120.03819	0.7
121.02917	0.8
123.00864	4.5
123.04537	0.5
124.01705	2.3
125.02441	23.8
126.02744	0.6
129.01987	1.9
131.03500	55.8
132.03824	1.3
135.04494	0.4
136.98819	0.6
137.02452	1.8
139.00331	1.8
140.01134	0.7
141.01852	0.4
143.03491	6.5
145.02934	0.5
149.04552	33.8
149.99619	0.8
150.03226	0.4
150.04840	1.1
151.00346	2.9
151.03998	1.1
152.01123	2.8
153.01950	2.0
159.03017	0.3
161.04555	7.2
163.04039	0.4
165.01985	0.4
166.99835	1.0
168.00658	3.2
169.01418	9.1
169.02831	0.5
173.04533	0.9
174.03197	0.4
175.03960	0.8
176.01140	0.5
177.01869	1.4
178.99799	1.3
179.05606	21.3
188.04747	0.5
189.05542	1.0
191.05603	33.9
192.05965	1.4
193.01399	0.5
193.04930	0.7
211.02396	0.8
217.05029	1.4
221.06584	0.8
250.80167	0.3
251.07796	1.9
259.06061	2.8
271.04526	1.2
275.05539	1.5
285.04074	4.7
286.04279	0.4
295.04654	0.5
300.99844	1.5
301.03299	0.4
301.07224	0.5
302.00125	0.5
302.07288	0.5
303.05005	1.4
303.07980	0.6
313.05569	1.4
333.19153	4.4
334.19144	0.4
405.21158	1.3
421.11121	1.1
437.10779	3.6
447.02835	0.4
447.09244	1.8
465.08582	6.5
465.13968	10.5
465.23294	3.4
466.10040	0.7
466.14972	1.0
484.89499	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.6
55.86642	0.6
57.03449	2.3
58.00595	4.0
59.01380	97.3
60.01725	1.2
61.98828	3.0
67.01888	1.1
69.03461	1.1
71.01382	68.3
71.51469	0.8
72.01726	1.1
72.99307	4.8
73.02943	5.9
75.00876	0.7
78.91902	0.9
79.01898	1.0
81.03457	0.7
83.01379	4.6
85.02956	13.5
87.00887	2.6
89.02445	100.0
90.02782	2.0
93.03500	1.1
95.01377	6.1
97.02973	1.3
99.00868	4.0
101.02443	45.2
102.02769	0.8
107.01424	3.1
108.02184	6.7
109.02975	5.9
111.00896	1.0
111.48238	0.6
113.02454	24.0
113.03259	1.2
114.02802	1.0
115.95429	0.6
119.03503	26.0
120.03766	0.8
123.00887	8.7
124.01668	0.9
125.02448	20.1
129.01913	2.3
131.03503	55.9
132.03825	1.3
135.04417	0.7
136.98859	0.6
137.02399	0.7
139.00363	1.8
143.03500	5.8
145.02870	0.9
149.04553	35.2
150.04829	1.0
151.00319	1.9
151.03999	1.6
152.01143	7.3
153.01976	4.4
161.04564	7.0
163.00360	0.8
164.64153	0.6
166.99857	5.3
167.03476	1.4
168.00604	1.3
169.00023	0.9
169.01414	15.5
170.01808	0.9
173.02400	1.1
173.04478	0.9
177.01875	0.8
179.05603	23.8
180.05956	1.2
187.00343	0.7
189.01984	1.2
190.17825	0.7
191.05611	32.1
192.06013	1.1
193.01396	0.9
198.37311	0.7
201.01935	1.3
210.79697	0.7
214.99780	1.1
217.01433	0.9
221.06622	0.7
229.01430	1.5
229.14397	1.0
245.00742	1.0
251.07625	2.2
255.96632	0.7
261.00153	0.9
270.98682	2.7
273.00317	0.8
275.01855	1.2
285.03967	1.3
285.97336	1.0
298.97992	2.2
299.98843	1.3
300.99896	7.5
302.00064	1.2
303.05002	1.0
303.08072	0.8
313.05429	2.9
316.99667	0.7
333.19141	6.0
334.19113	0.8
405.21011	2.1
447.01709	1.2
465.10455	8.1
465.23276	2.6
466.10352	0.7
466.23230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1766
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
50.85303	0.4
59.01381	4.2
61.98825	0.7
68.42752	0.4
69.25807	0.4
69.90753	0.4
71.01385	2.3
71.51965	0.7
71.52346	0.4
72.99322	0.5
73.02947	0.5
83.01367	0.7
85.02937	1.1
87.00848	0.7
95.01367	1.0
101.02407	0.8
105.03442	0.6
107.01390	2.0
108.02167	0.5
108.27226	0.5
109.02960	0.7
111.00849	0.5
113.02457	1.0
119.03522	0.4
121.02888	0.4
123.00889	4.4
124.01664	1.3
125.02455	10.7
131.09198	0.5
135.00882	0.7
137.02406	2.1
138.03265	0.9
139.00343	2.0
140.01160	1.6
141.01909	0.5
141.67142	0.5
146.03700	0.6
149.02441	3.5
150.03194	2.7
151.00346	2.0
154.83534	0.5
161.06088	1.0
163.00398	1.1
163.04031	0.9
165.01921	0.8
166.02716	4.6
166.99916	0.8
167.03513	3.1
168.00620	2.4
169.01425	17.6
170.01740	0.8
172.05190	0.7
173.06094	0.9
175.04019	6.4
176.04716	0.6
177.04019	0.9
177.05452	0.6
182.02165	1.0
183.02950	2.0
188.04802	2.3
189.05574	14.1
190.06349	14.1
191.06891	0.7
193.01424	4.4
194.02234	4.3
203.03447	0.6
203.07117	1.2
205.04999	0.7
209.00905	9.2
211.02405	1.4
218.05775	1.4
219.02931	0.5
233.04559	1.4
234.05283	0.7
243.10291	2.1
257.11795	1.4
258.12357	0.7
259.13336	3.4
271.04709	0.5
285.11407	0.8
290.87314	0.5
297.05984	0.8
300.99915	1.3
302.11539	5.4
303.12366	45.7
304.12851	3.2
313.05667	0.8
314.05487	0.8
359.50916	0.5
363.37241	0.6
390.05948	0.7
435.40372	0.5
447.02017	0.5
449.62219	0.4
465.17618	100.0
466.17960	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	465.1764
Annotation	3',5-Dihydroxy-3,4,4'-trimethoxybibenzyl-5-O-glucoside
Peak:m/z	Relative Intensity
52.88408	0.7
54.28856	0.6
54.50775	0.6
56.25211	0.6
56.75146	0.7
59.01112	0.9
59.01379	9.4
61.98828	3.9
62.22403	0.7
63.51317	0.6
66.14857	0.7
68.99571	1.0
71.01364	2.1
72.67270	0.6
78.95914	2.0
89.02436	1.3
93.03477	0.8
95.01395	2.0
98.12939	0.7
101.02428	0.9
107.01379	2.0
108.62370	0.9
111.00878	0.9
112.98559	1.1
113.02399	0.8
113.60828	0.7
115.21894	0.7
123.00893	5.2
124.01670	1.1
125.02453	10.1
133.06540	1.1
137.02438	1.4
138.03186	1.0
139.00366	1.4
140.01173	1.5
149.02397	2.0
150.03227	2.8
150.86125	0.7
151.00357	3.3
152.99585	0.9
161.02446	0.8
161.06204	1.0
163.07481	0.6
165.01930	1.3
166.02696	5.5
166.99864	1.1
168.00620	1.9
169.01442	15.0
170.01730	1.0
173.06079	1.1
174.03212	0.9
175.04002	8.3
177.05507	1.4
178.99873	1.5
188.04773	2.1
189.05582	17.8
190.06358	21.4
191.06654	1.4
193.01384	4.6
194.02206	3.3
194.99275	0.8
203.07121	1.5
208.00078	0.9
209.00919	13.0
211.02443	3.4
219.02986	2.0
229.08810	1.0
233.04585	1.5
234.05305	4.0
243.10312	1.7
257.11844	1.2
259.13293	4.4
271.04614	4.4
300.99960	2.6
302.11435	3.5
303.12363	72.7
304.12750	5.1
398.65070	0.9
465.17609	100.0
466.18054	13.1
481.74164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
57.03440	0.5
59.01379	8.0
64.87678	0.5
65.94083	0.6
67.01867	0.7
70.79166	1.2
71.01384	6.3
73.02940	1.1
79.01884	0.8
81.03487	0.6
82.78062	0.5
83.01380	0.7
85.02943	1.6
89.02444	4.8
95.01368	1.9
97.02942	0.7
99.65549	0.5
101.02440	3.7
101.70388	0.5
107.01389	6.6
109.02959	0.8
111.00871	1.4
113.02460	1.9
119.03504	1.8
121.02941	0.7
123.00900	12.3
123.04486	0.6
124.01653	1.6
125.02451	29.7
126.02766	0.8
133.01352	0.7
136.98874	0.9
137.02408	1.0
139.00371	4.3
139.03925	0.6
140.01112	1.7
141.01892	0.8
143.04933	0.6
149.02409	0.8
151.00371	10.9
151.04024	0.8
151.06088	3.0
153.01952	2.2
163.00285	0.8
168.00627	3.7
169.01424	39.3
170.01733	1.7
175.03865	0.6
177.02028	0.5
200.03633	0.6
211.02495	12.5
229.01385	0.7
253.06088	0.5
271.04587	19.9
272.04889	1.0
275.02005	0.6
275.05542	1.0
285.04071	2.4
300.99890	2.1
303.05118	2.9
313.05777	3.5
331.06665	1.5
465.12469	100.0
466.12805	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	465.1033
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
55.01857	0.7
57.03439	1.2
59.01384	12.8
61.98827	18.8
63.02402	1.3
65.00321	18.2
67.01914	0.7
70.12270	0.9
70.12650	1.0
71.01378	6.9
71.79425	0.6
72.99307	1.1
73.02932	1.2
75.00859	1.0
78.91898	2.9
79.01858	0.7
83.01377	8.2
85.02956	2.5
87.00900	1.0
89.02448	5.9
93.03464	1.5
95.01394	3.9
97.02940	0.9
98.20605	0.8
99.00863	1.4
101.02457	3.6
107.01390	27.0
107.05031	0.8
108.01680	0.7
109.02954	1.8
110.00089	1.3
111.00914	1.2
113.02456	2.7
119.03534	1.5
120.99651	6.6
121.02973	1.0
122.03693	0.7
122.06730	0.6
123.00887	8.7
123.04517	9.1
124.01665	1.9
125.02446	28.8
133.02931	5.5
133.61774	0.6
135.04507	2.7
137.02461	2.1
139.00333	3.1
141.01971	1.0
145.02930	1.7
147.04507	0.7
149.02429	2.1
150.03218	9.6
151.00366	100.0
151.03989	23.6
152.00992	6.5
152.04370	0.6
153.01907	1.4
157.02954	0.7
161.02382	0.7
161.04561	1.4
163.00385	0.8
163.04054	1.1
165.99089	0.7
166.99847	5.3
168.00644	2.2
169.01422	27.1
171.04541	0.8
173.02451	1.4
175.03970	2.3
176.01157	1.6
177.01901	2.0
178.99838	6.6
185.06058	1.0
187.04137	0.8
189.01971	0.9
189.05589	1.2
191.03404	1.2
194.99396	0.8
199.03990	2.1
201.01927	1.9
209.11546	0.7
211.02391	1.1
211.07613	1.3
213.05571	0.9
214.99867	0.7
215.03513	0.7
217.01404	1.1
217.05014	1.5
219.02945	0.6
223.07603	2.2
229.01439	1.8
229.05113	1.3
233.98055	0.7
239.07262	1.1
241.04982	1.7
243.02972	0.9
245.00874	1.1
247.02405	1.0
249.03954	0.8
257.01022	0.7
257.04471	1.5
259.06036	0.6
267.06641	0.9
270.98993	1.0
271.04523	0.8
273.00394	1.6
275.01999	2.7
275.05344	1.0
283.99606	1.0
285.04086	52.9
285.07626	9.1
286.04407	4.0
286.07550	1.0
298.98438	0.8
299.99033	2.7
300.99872	20.9
301.99780	3.0
302.04184	0.9
303.00311	1.7
303.05127	3.2
313.05576	3.7
313.09317	2.2
321.15598	3.6
339.07208	3.2
405.21344	1.0
421.11548	0.8
421.16583	1.1
438.03281	1.8
447.09424	1.8
452.02853	1.6
465.05267	2.9
465.10764	12.7
466.11176	1.7
473.80994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
52.68745	0.7
57.03445	9.1
59.01380	9.1
61.98830	3.0
65.00318	3.3
67.01862	0.9
69.19083	6.7
71.01377	3.9
73.02942	1.8
77.30909	0.7
80.62329	0.7
80.85654	0.7
83.01379	4.7
85.02963	1.8
87.00868	1.3
88.42708	0.7
88.51959	0.6
89.02443	2.3
93.03461	1.8
95.01394	3.8
98.95032	0.7
101.02454	3.3
106.66036	0.8
107.01402	6.2
108.02168	1.2
109.02950	3.3
111.00888	3.3
113.02477	2.0
119.03479	0.9
120.83539	0.9
121.02944	1.6
122.03754	0.8
123.00887	5.2
123.04547	5.0
124.01664	5.0
125.02444	100.0
126.02789	3.2
132.62085	0.7
133.03015	0.9
133.83131	0.8
137.02438	4.0
139.00383	6.7
139.04024	1.0
147.04512	1.3
149.02394	3.6
150.03227	2.4
151.00360	17.3
151.03989	6.3
152.01170	11.2
153.01950	11.3
154.02248	1.0
161.02475	2.3
161.04594	2.0
161.06088	1.2
163.00357	1.5
165.01912	0.8
166.99867	1.8
169.01411	13.0
171.04567	1.5
173.02411	1.1
173.06100	1.2
174.03214	3.0
175.03986	20.3
176.01149	0.9
176.04221	1.0
177.01935	24.2
178.99876	14.0
180.00612	0.7
181.01416	3.7
182.99341	1.7
185.06076	0.9
188.04793	2.6
189.02032	0.8
189.05571	5.8
191.03522	2.0
193.05038	1.4
193.84964	0.7
197.05980	0.8
199.04028	11.2
201.01968	3.1
203.03531	0.8
213.05629	1.8
216.04298	2.0
217.05070	11.9
223.04143	1.2
228.09355	0.7
231.06754	1.5
241.05046	7.9
241.09912	1.6
243.11392	1.0
257.04547	2.3
257.12863	1.6
259.06125	5.3
267.11423	1.6
275.02475	1.5
275.05652	6.0
284.11481	1.0
285.04031	66.8
285.12402	4.3
285.97556	1.2
286.04324	6.3
299.99203	1.2
300.99844	7.3
301.99823	1.1
303.05081	59.5
304.05380	5.3
313.05725	2.8
321.15524	1.4
405.21432	3.1
421.06979	0.7
437.10757	0.7
447.02161	3.4
447.09213	1.8
447.17838	3.6
448.27539	0.9
465.10510	46.7
465.27448	1.2
466.10617	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	465.1037
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03452	6.9
59.01377	9.3
60.09520	0.8
61.98817	2.4
65.00333	2.3
67.01885	1.0
69.03471	1.0
70.79818	0.7
71.01391	5.8
73.02934	1.6
75.00883	3.7
79.01907	1.4
83.01383	3.2
85.02967	3.5
87.00860	0.8
89.02454	3.7
93.03468	2.1
95.01390	6.9
97.02956	1.6
98.20708	1.6
101.02461	5.0
107.01399	11.9
107.05021	9.0
108.02213	0.8
108.76048	0.7
109.02988	2.1
111.00879	2.5
113.02445	3.2
115.65895	0.7
121.02969	1.4
123.00888	17.9
123.04528	2.4
124.01672	6.2
125.02451	100.0
126.02794	2.9
127.00426	0.8
128.03598	1.2
133.02995	1.7
137.02448	5.2
139.00418	5.8
139.03978	1.3
140.01167	1.9
141.02007	1.1
145.02954	1.2
147.04587	1.3
149.02428	2.3
149.99620	1.1
150.03230	1.5
150.06847	1.0
151.00368	14.7
151.04004	4.3
152.01138	9.9
153.01953	5.5
161.02440	1.9
161.04549	1.4
163.00374	1.9
163.03940	1.8
165.01881	1.0
166.99869	7.0
168.00677	4.2
169.01430	50.7
170.01816	1.8
173.06125	1.4
174.03156	1.0
175.04013	3.9
176.01085	2.0
177.01894	3.8
178.99852	4.6
179.03540	1.5
183.06601	0.9
187.04216	0.8
188.04865	1.0
189.01933	1.7
189.05574	3.2
191.03543	2.2
193.01314	0.9
193.05148	2.0
199.03998	1.5
201.01971	2.2
203.03500	1.0
206.46652	0.9
211.02470	5.6
213.05595	1.2
214.99879	1.0
215.07092	1.4
216.04268	1.0
217.01497	1.7
217.05154	5.5
223.02531	0.9
229.01442	1.3
229.65910	0.9
231.06651	1.9
242.99373	1.7
243.02724	0.9
245.00890	2.6
249.04233	0.9
257.00980	1.2
257.04581	1.0
259.06143	8.5
260.06595	1.4
270.98782	2.4
271.04636	11.0
273.00415	2.1
273.03174	1.5
275.02063	2.7
275.05655	4.5
281.06723	1.6
283.99667	1.4
285.04013	17.2
286.04333	1.0
295.04633	1.4
298.98367	1.5
299.99084	2.2
300.99893	22.2
301.02908	1.0
302.00507	1.7
303.05112	6.7
313.05695	9.7
313.09326	2.5
313.49030	0.9
374.20126	0.9
421.11441	16.3
422.11685	1.3
437.10846	10.9
438.03168	1.8
438.11551	1.5
447.02136	1.1
447.09467	5.0
465.10461	43.3
466.10907	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	465.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63493	1.7
57.03432	5.6
59.01357	5.8
61.98805	2.3
65.00314	3.8
68.99797	1.4
69.22363	1.3
69.35121	6.4
69.35529	3.7
71.01386	2.7
83.01376	6.2
89.02465	3.1
93.03454	1.4
95.01404	1.7
101.02450	1.4
105.03507	1.3
107.01394	8.5
108.02149	2.0
109.02924	4.0
111.00839	1.3
113.02399	1.5
121.02959	3.2
123.00867	4.8
123.04529	4.4
123.07222	1.4
124.01637	1.7
125.02444	100.0
126.02757	2.0
131.01360	1.4
135.00954	1.4
137.02438	10.9
139.04005	4.4
149.02457	12.4
151.00375	31.4
151.03987	3.1
152.01085	3.0
152.14177	1.7
153.01935	24.1
159.16428	1.5
161.02446	3.0
163.00380	1.4
165.01917	3.4
167.03462	1.9
169.01398	7.9
175.00368	4.2
175.03995	10.9
176.01064	2.1
177.01913	16.6
178.99875	18.1
179.03587	1.4
181.01437	8.2
189.05539	2.9
191.03491	1.5
195.02881	2.4
199.03935	4.7
205.01381	1.5
217.05045	6.6
241.05031	5.6
243.15965	1.6
259.06180	3.5
267.02609	1.6
275.05576	20.2
284.03268	1.7
285.04031	57.2
286.04166	2.9
299.05551	5.5
300.30295	1.5
300.99976	1.5
301.99808	1.6
303.05066	69.6
304.05405	4.7
313.05719	4.6
341.04929	6.3
343.06680	3.6
405.21274	2.4
437.11127	2.0
439.12595	1.4
447.09097	2.7
463.48801	1.3
465.06140	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	465.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	7.8
59.01375	3.2
60.18073	1.0
61.98838	1.6
63.02395	1.0
65.00320	3.3
69.93967	1.9
69.94378	2.9
71.01404	0.9
74.85089	0.8
81.03466	1.2
83.01386	6.4
89.02484	0.9
95.01392	1.7
98.20547	1.4
107.01398	7.1
109.02929	4.3
111.00930	1.4
119.17643	1.2
121.02946	1.6
123.00914	1.9
123.04562	4.8
124.01691	2.9
125.02445	100.0
126.02776	3.7
126.34592	0.9
131.01338	1.3
134.51483	1.0
137.02409	5.0
139.03979	3.2
139.39461	0.8
146.56796	0.8
146.73787	0.8
147.04503	1.7
149.02448	13.8
151.00365	30.1
151.04012	2.4
151.91945	0.8
152.01093	3.4
153.01927	27.2
154.02159	0.9
161.02460	1.0
163.04048	1.4
165.01962	0.9
166.02840	1.2
167.03526	2.6
169.01399	3.8
174.03233	2.1
175.00352	4.5
175.03989	8.6
176.01183	1.3
177.01930	17.6
178.99841	20.2
181.01419	12.3
188.04736	1.7
189.05576	3.0
191.03497	2.2
193.01447	2.4
195.02983	3.1
199.04031	3.7
201.01892	1.5
205.01544	1.4
207.03119	1.4
216.04185	1.1
217.05029	6.5
220.15126	1.1
223.02477	0.9
231.06644	1.7
241.05084	3.2
257.04648	1.6
259.06149	2.9
275.05594	21.0
276.05814	1.8
284.03049	1.0
285.04037	51.9
286.04303	4.1
299.05524	8.0
303.05078	68.4
304.05515	6.1
313.05621	2.4
341.05130	6.7
343.06699	6.2
401.82617	1.2
437.10699	2.2
447.09253	2.8
465.10620	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18202	4.4
57.99053	3.8
59.01385	7.5
71.01381	19.8
72.99286	6.4
84.76630	3.6
98.95198	4.0
101.02435	4.4
107.01385	9.3
108.28345	4.6
115.00359	35.8
123.00922	8.8
125.02464	27.6
133.01431	100.0
134.01764	4.6
151.00409	5.1
169.01436	41.4
211.02501	9.8
254.97365	4.2
271.04666	11.9
331.06766	21.0
335.89185	4.3
386.91071	4.7
451.43655	4.8
465.12418	52.7
466.12512	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	465.1035
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
55.01878	1.1
57.03455	0.6
59.01382	10.1
61.98829	2.6
67.01887	1.2
69.03458	4.8
71.01386	6.6
72.99310	0.6
73.02951	2.0
73.52514	0.5
78.91902	0.8
79.01912	2.0
81.03466	1.7
83.01398	3.1
85.02955	3.8
87.00893	0.8
89.02444	2.1
93.03468	2.5
95.01385	4.7
97.02973	4.0
99.00890	1.3
101.02461	4.1
101.91312	0.6
107.01381	5.9
108.02197	3.4
109.02962	4.4
111.00890	0.9
113.02457	2.4
117.03463	0.5
119.05048	1.7
121.02962	1.6
123.00895	16.8
123.04545	0.8
124.01681	22.5
125.02452	81.8
126.02790	3.9
136.01723	0.6
137.02452	4.8
139.00389	2.1
139.04037	0.7
141.01921	0.6
147.04433	0.6
149.99590	38.4
151.00394	6.8
151.03987	2.8
152.01167	3.5
152.03523	2.0
153.01988	2.5
161.02457	0.8
161.04575	1.9
163.03941	1.1
165.01932	1.0
166.39270	0.5
166.99881	2.2
167.03528	0.9
168.00642	64.5
169.01431	38.7
170.01788	2.7
181.01509	0.5
193.01457	1.1
197.83374	0.6
211.02460	0.6
227.03477	0.7
231.02878	0.6
232.03050	2.0
241.03499	1.1
258.01871	1.0
259.02539	0.9
273.03076	0.6
293.14633	0.6
295.04605	0.6
299.99142	0.8
300.99918	5.0
301.03229	0.9
302.00375	0.5
302.03482	1.2
303.01370	1.3
303.04483	0.7
303.21805	5.8
304.22012	0.8
308.03543	1.1
312.36612	1.6
312.69965	1.1
313.05743	7.5
315.07269	1.5
333.19077	1.0
363.03601	2.4
363.36862	2.6
369.90945	0.7
384.04041	4.8
384.54147	2.4
412.97980	0.6
447.09537	3.7
448.10114	0.7
460.05124	0.8
464.25912	1.8
465.10406	100.0
465.27176	23.1
466.10739	13.3
466.27383	1.8
468.75519	0.6
469.05206	2.3
469.55472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78846	0.3
55.79322	0.3
59.01386	1.5
61.98832	100.0
69.83994	0.7
69.84409	0.8
71.01361	0.4
83.01363	0.3
95.01403	0.5
101.02400	0.5
108.02168	0.8
109.02953	0.4
123.00892	0.7
123.04578	0.4
125.02472	3.8
139.00439	0.6
143.68521	0.3
145.05084	0.4
149.02454	0.5
149.12421	0.4
151.00409	0.8
151.04034	0.6
152.01173	0.7
153.01950	0.6
166.99844	0.5
169.01454	1.0
175.03983	0.3
177.01967	0.7
178.99899	0.5
259.02545	0.4
275.05569	0.5
285.04236	1.4
300.99789	0.8
302.00354	0.5
303.05176	2.3
313.05811	0.4
355.30859	0.4
357.36743	0.3
421.07806	0.5
464.05521	0.8
464.12125	1.0
465.05804	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	464.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	16.6
61.98829	100.0
69.73329	3.3
71.01379	1.7
73.02947	0.5
85.02933	1.1
98.20049	0.7
99.00811	0.5
101.02434	1.1
113.02457	0.7
125.02479	0.9
167.94022	0.5
169.01364	0.8
176.09467	0.6
226.78928	0.5
243.16084	0.9
256.03333	0.7
266.78149	0.5
272.02881	1.1
273.22675	0.5
277.33722	0.5
300.02872	0.8
301.03262	1.5
302.03735	0.9
315.18201	2.4
357.19534	0.7
464.09433	0.7
464.16019	0.7
465.17825	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	464.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91617	0.5
51.86271	0.6
59.01376	5.2
60.01708	0.6
61.98829	100.0
71.01395	2.8
71.50814	0.5
71.51176	0.6
73.02945	0.8
84.18430	0.6
85.02979	0.9
87.00874	0.7
89.02441	1.5
93.03483	1.1
95.01366	4.0
97.02948	0.4
99.04491	0.7
101.02450	1.5
107.01382	1.2
107.05123	0.5
108.02195	2.5
109.02977	1.8
111.00885	0.6
113.02479	1.2
121.02980	0.7
123.00896	6.1
123.04543	0.6
125.02452	6.0
137.02458	1.0
139.00394	3.0
145.05122	1.8
149.02480	0.8
151.00433	0.9
151.04057	1.8
152.01149	3.8
153.01979	1.3
166.99881	2.2
168.00636	0.7
169.01425	5.6
169.08665	0.5
182.73856	0.6
211.02461	0.7
259.02649	0.7
283.48944	0.6
284.05652	1.0
285.03934	0.9
299.99289	1.6
300.99503	5.2
302.00162	4.8
303.05222	1.4
303.08728	0.5
313.05762	1.8
313.09360	1.3
344.09781	0.7
421.07889	4.7
437.07816	0.7
464.05637	5.5
464.12079	2.4
465.06799	8.8
465.11594	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	464.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
61.98830	100.0
71.01391	1.7
85.02953	0.7
95.01400	0.7
100.83904	0.3
101.02452	0.5
107.01395	2.7
113.02429	0.5
123.00917	1.9
124.01682	0.4
125.02451	12.0
125.03336	0.7
136.98827	0.4
138.22571	0.4
139.00349	1.0
140.01147	0.6
151.00365	1.3
153.01990	0.4
159.06255	0.3
167.03496	0.5
168.00664	0.9
169.01428	16.3
193.01389	0.8
203.56194	0.3
211.02568	1.3
216.00601	0.3
229.07681	0.4
243.34341	0.4
243.99840	0.4
245.00478	0.5
285.07703	0.4
295.04617	0.5
297.06134	0.6
299.99066	5.4
300.99545	13.7
302.00186	9.0
303.00403	0.8
303.08884	0.5
313.05624	5.7
345.70142	0.4
464.05460	12.1
464.12012	0.7
465.06610	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
59.01379	96.9
61.98829	39.4
71.01377	22.0
72.99306	1.7
73.02937	4.2
83.01372	1.4
84.09904	0.9
85.02942	5.3
86.20364	0.8
87.00884	1.0
89.02443	30.4
89.03008	1.4
95.01378	2.8
101.02441	11.9
107.01386	1.5
109.02884	1.1
113.02442	8.3
119.03499	12.4
119.04955	1.0
125.02426	4.8
131.03493	2.4
132.02136	1.0
136.29929	1.0
137.02374	1.2
143.03468	2.8
147.00903	0.9
149.04544	2.2
160.01492	1.0
161.02408	0.9
161.04527	4.0
163.00360	1.5
164.01080	1.2
165.01874	0.8
165.09189	2.6
169.01416	5.8
172.01685	1.9
173.02313	1.3
175.03964	1.2
179.05585	9.6
185.02364	2.7
189.01906	1.0
200.01099	2.3
201.01912	1.6
203.03474	1.2
216.00610	2.9
217.01323	1.3
228.00563	3.1
229.01338	3.4
242.99323	1.1
244.00087	3.3
245.00771	1.6
247.02289	1.4
255.02934	1.1
256.06100	1.3
257.00827	3.8
257.04510	0.9
271.99539	3.0
273.00290	2.3
275.01965	2.3
278.55466	0.8
282.98804	1.8
283.02393	1.9
283.99603	2.6
284.05746	4.2
299.95587	1.8
299.99097	84.3
300.99854	100.0
301.06952	2.4
302.00259	8.9
302.40747	0.9
313.03113	1.0
326.41046	1.0
331.17563	3.9
343.71588	0.9
401.11008	1.1
403.19565	2.5
463.05081	86.2
464.05377	11.6
464.11902	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	463.2335
Annotation	Chagreslactone
Peak:m/z	Relative Intensity
55.01856	0.5
59.01368	0.8
61.98822	0.9
65.00324	1.6
67.01882	1.5
68.99816	1.1
70.77177	0.4
71.01371	2.2
71.50414	0.6
72.99306	1.7
78.95914	1.8
79.21062	0.5
82.00614	0.6
83.01391	2.3
85.19909	0.5
87.00887	1.2
87.17740	0.4
95.01388	1.4
95.31084	0.5
96.99303	0.6
99.00910	0.7
106.00612	0.8
107.01380	1.7
110.00082	1.7
110.98524	1.1
111.00889	15.6
112.01250	0.7
123.00873	3.7
124.01672	7.1
125.02461	7.7
127.00388	5.2
128.43172	0.5
136.98816	8.9
139.00385	15.7
140.01170	25.5
141.01784	0.5
149.00168	1.0
151.00381	4.0
154.99864	1.8
166.99878	0.9
167.01193	1.0
168.00644	36.6
169.01442	7.6
175.04016	0.8
194.98885	2.5
195.13948	1.0
209.11830	5.1
227.12856	1.2
243.02930	1.1
253.09196	0.6
255.03046	2.4
271.02509	4.7
277.21799	1.2
293.21265	0.7
295.22791	6.4
299.99084	3.3
300.02734	8.3
300.99866	4.5
301.03485	4.2
311.22299	2.1
319.15582	0.6
341.05530	0.5
419.24356	0.7
445.22308	0.8
455.35229	0.7
463.10132	5.0
463.23376	100.0
464.23648	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17430	1.4
57.03441	4.2
58.00587	3.5
59.01381	100.0
61.98825	2.8
64.73846	1.4
65.32980	1.4
68.71837	1.7
69.03455	8.2
69.47849	11.0
71.01009	2.6
71.01384	44.3
72.99336	3.1
73.02949	5.5
83.01366	2.0
85.02949	11.4
87.00877	3.0
89.02449	61.0
95.01380	4.2
98.20624	3.1
99.00871	2.5
101.02441	29.9
104.83125	1.4
109.02996	2.0
113.01713	2.0
113.02453	20.3
119.03506	23.6
123.00837	2.4
125.02449	8.5
131.03485	2.1
137.02367	2.0
138.06897	2.4
143.03474	4.2
149.02361	1.9
149.04506	3.0
151.00378	3.6
153.09216	9.5
159.02864	1.7
161.04552	12.5
163.00345	2.1
165.01869	2.0
165.09157	3.8
169.01459	8.8
169.02666	1.6
172.01645	2.7
173.02380	1.5
175.03860	1.5
179.05649	16.8
185.02267	1.9
185.92545	1.4
189.01982	1.7
190.09686	1.3
200.01224	1.9
203.03383	1.6
205.12302	2.1
216.00594	2.4
223.13319	4.1
228.00558	1.9
229.01346	5.8
241.14447	53.5
242.14795	4.0
244.00093	3.4
245.00905	2.2
247.02490	1.8
257.00787	3.8
271.99554	1.8
272.74313	1.4
275.01834	1.8
283.99576	2.0
299.27023	1.4
299.99121	56.4
300.02618	3.0
300.99881	83.9
302.00116	7.4
313.03409	2.2
327.98038	1.4
341.05475	1.8
403.19781	15.4
404.20264	2.4
432.02255	1.6
445.07645	1.8
463.05054	58.9
464.05313	6.5
464.11557	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69107	0.8
55.01878	4.0
56.54582	0.8
57.03440	3.2
58.00591	2.9
59.01378	86.2
60.01704	0.8
61.98817	1.2
68.99785	0.9
69.03474	4.4
69.28886	7.1
71.01380	100.0
72.01707	1.8
72.09980	0.8
72.99309	3.9
73.02945	36.0
75.00868	2.4
77.93082	0.8
79.14143	0.8
81.03471	1.6
83.01376	9.9
83.05025	0.9
85.02948	32.3
86.00094	1.6
87.00871	10.9
89.02443	93.6
90.02762	1.3
95.01415	4.7
97.02950	6.8
98.19817	1.6
99.00879	33.8
99.04504	2.1
101.02440	74.7
102.02728	1.0
107.01395	1.9
111.00903	2.6
113.02450	30.4
115.04012	5.6
119.03493	12.4
125.02448	17.3
125.23769	1.0
131.03503	27.4
132.28563	0.8
137.02405	1.3
143.03510	7.4
149.04546	47.2
150.04881	1.9
151.00360	2.8
151.11284	1.6
159.02998	4.2
161.04553	32.5
163.00320	1.0
169.01447	3.2
178.99829	1.0
179.05612	3.7
186.29460	0.9
191.05606	14.7
221.06668	17.9
222.07159	1.0
233.06648	13.0
243.02991	1.3
251.07693	1.9
255.02919	4.1
271.02463	8.1
272.02664	1.0
283.19135	1.2
293.08765	7.8
299.99097	3.3
300.02759	16.1
300.99872	2.8
301.03430	9.4
301.20502	1.2
331.17609	25.7
332.18011	2.5
353.10828	7.6
419.09784	1.0
463.09271	10.4
463.21170	52.1
464.09262	1.1
464.21362	6.3
489.84238	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.4
57.03451	4.1
58.00589	4.2
59.01378	87.4
60.01687	0.9
60.88541	0.7
67.01875	0.5
69.03461	1.7
70.64286	1.9
71.01381	100.0
72.01743	1.3
72.99312	5.2
73.02949	23.6
75.00889	2.0
79.01816	0.6
83.01382	10.4
83.05029	1.1
84.75957	0.6
85.02950	33.3
86.00104	1.3
87.00876	11.4
89.02444	65.5
90.02815	0.8
93.03486	0.9
95.01389	6.3
97.02952	3.7
98.20584	0.6
99.00885	16.4
99.01540	0.9
99.86065	0.6
100.01263	0.7
101.02442	71.3
102.02811	1.6
107.01431	1.1
109.02991	0.6
111.00897	1.6
113.02451	35.1
115.04060	1.6
119.03493	18.9
121.02991	0.7
123.00919	0.9
125.02449	8.8
129.02000	1.7
131.03497	33.7
132.03946	1.0
137.02498	1.0
137.06061	5.9
143.03500	9.8
144.01021	0.6
145.81845	0.6
149.02769	0.8
149.04552	14.3
151.00352	3.6
151.11371	2.1
159.02989	4.9
160.03531	0.6
161.04553	47.4
162.05026	1.5
163.04140	1.8
167.03592	0.6
169.01396	3.5
169.12483	1.0
172.29417	0.7
179.00017	1.8
179.05611	6.1
181.05083	7.8
191.05600	13.0
205.03568	0.6
209.12155	0.7
221.06654	29.3
222.07198	0.9
229.01657	0.6
230.53021	0.6
233.06647	3.6
243.03264	2.0
251.07986	0.9
255.02954	5.0
265.18414	1.7
271.02469	10.9
272.03119	1.5
283.19672	1.7
293.09186	1.6
299.99509	4.0
300.03186	14.7
301.00208	4.0
301.03937	12.3
301.20663	1.9
302.04196	1.0
329.16763	0.6
331.13879	1.9
331.17612	48.6
332.17953	4.5
353.11243	0.7
384.04608	1.5
419.10400	0.8
463.09171	9.3
463.26505	22.7
464.09995	0.9
464.26981	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	463.1095
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
54.42057	0.8
55.01878	1.3
59.01377	9.5
61.98845	0.8
70.98554	2.1
71.01389	6.1
71.76552	0.8
73.02949	2.6
79.31585	0.7
82.34121	0.8
83.01373	1.3
85.02947	4.0
87.00874	0.9
87.46555	1.0
87.74739	0.9
89.02457	2.6
91.04921	0.9
93.03476	0.9
95.01395	1.1
96.96033	5.8
97.02904	1.1
101.02443	7.7
107.01387	3.6
109.02952	1.1
111.00873	2.2
113.02444	3.9
116.06541	0.9
116.07531	0.8
117.90614	0.8
121.02975	1.1
123.00869	5.9
124.01662	6.5
125.02447	39.8
125.67117	0.8
131.03442	1.1
136.98770	1.7
137.02449	2.0
139.00386	3.4
140.01176	2.8
149.02472	0.9
149.99541	4.5
151.00349	6.0
154.88693	1.1
160.04028	3.6
163.00337	1.4
165.01944	1.6
168.00632	22.8
169.01418	50.7
170.01794	1.6
175.02492	0.9
178.02756	2.3
193.05078	1.5
211.02469	53.4
211.05884	2.1
212.02792	1.7
241.03551	2.7
241.07092	6.8
271.04578	100.0
272.04889	6.5
275.02014	5.5
283.04575	1.5
300.99829	3.8
301.05780	1.2
311.09848	1.2
313.05679	2.3
331.06729	20.1
343.06668	5.0
354.91666	1.1
366.08090	1.2
373.07742	19.5
374.08154	1.3
403.08707	3.9
415.08392	1.1
420.17935	0.9
427.08734	1.9
429.80487	1.0
433.09525	2.1
463.05453	0.9
463.10745	24.7
464.11374	2.5
484.72418	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0885
Annotation	Robinetin 7-glucoside
Peak:m/z	Relative Intensity
52.43629	2.2
58.40407	2.1
59.01377	27.5
61.98817	7.7
65.00306	3.6
66.64674	2.1
71.00671	6.3
71.01378	15.0
73.02939	3.2
83.01391	2.5
85.02949	5.8
89.02425	4.3
91.01894	2.3
93.03455	7.1
95.01376	4.3
95.05029	3.9
98.94048	2.8
99.00919	3.7
101.02441	9.9
107.01361	6.0
108.02152	5.1
109.02938	19.5
113.02427	3.9
121.02945	8.8
121.06595	7.5
123.00887	4.9
123.04522	3.5
125.02443	13.7
133.02946	3.1
137.02438	52.1
145.02919	3.2
147.00821	3.5
147.04465	3.7
149.02397	7.0
151.00363	20.2
153.09174	8.0
163.00343	7.1
163.04034	2.9
164.01151	6.5
165.01909	33.0
169.01405	11.5
175.00328	2.3
175.03961	3.3
176.01131	2.9
177.01952	37.6
177.05547	4.0
178.02600	4.5
178.99792	11.5
179.03467	8.8
189.01982	3.2
190.02679	5.8
191.03456	4.4
202.02673	3.3
202.99867	9.0
203.03500	8.3
204.04327	4.5
208.00165	19.7
209.00919	33.9
209.11821	8.2
210.01350	3.6
211.03958	3.4
215.03572	2.9
221.00916	39.0
224.36034	2.2
226.02625	4.4
227.03462	8.4
230.02200	2.8
243.03026	13.3
243.04977	2.8
244.03607	3.5
246.98788	50.4
247.02463	8.5
253.08824	2.6
254.02016	4.0
255.02930	34.2
255.07097	2.4
255.10150	7.2
256.03357	6.6
257.03415	5.4
264.99789	2.8
270.01782	2.6
271.02463	65.4
272.02896	7.4
283.02444	6.1
284.02859	5.5
285.03110	7.1
299.09198	14.0
299.99057	23.2
300.02701	100.0
300.05615	3.4
300.99789	28.6
301.03427	57.9
301.06842	4.5
301.19986	3.3
302.03900	3.1
311.11316	3.5
331.11771	21.2
343.08344	16.8
345.09302	2.8
361.09186	4.0
375.10764	20.2
387.07343	5.0
401.08777	13.8
419.09750	10.6
421.24435	3.5
463.09149	70.5
463.25595	29.2
464.09689	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	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68867	0.2
59.01375	2.0
63.02393	0.7
64.52267	0.3
65.00317	1.3
69.35162	2.2
69.35493	0.3
71.01378	0.9
83.01381	0.7
89.02444	1.3
95.85577	0.2
98.20685	0.5
101.02432	0.9
107.01391	2.6
108.02161	1.7
109.02959	1.4
119.03536	0.5
121.02943	1.6
124.01673	0.4
125.02435	0.6
131.03493	0.3
135.00853	0.8
136.78833	0.2
137.02498	0.3
145.03006	0.3
148.01671	1.4
149.02408	0.4
149.04521	0.5
151.00362	11.2
152.00873	0.3
163.00368	2.7
163.03951	0.3
164.01108	0.8
169.01443	0.4
178.99863	5.2
180.00249	0.4
183.04510	0.5
187.03963	0.5
191.05684	0.4
192.00661	0.5
198.03348	0.3
198.28294	0.3
199.04012	1.1
201.05609	0.3
203.03551	0.7
211.03976	0.9
213.01836	0.4
215.03506	0.7
216.04285	0.5
226.02647	2.1
227.03477	3.4
228.03949	0.4
229.05022	0.8
243.02975	12.1
244.03426	1.0
245.04529	1.1
254.02205	3.3
255.02980	26.5
255.94240	0.4
256.03339	2.2
271.02463	61.0
272.02936	6.6
273.03897	0.7
283.02448	1.3
299.02036	1.3
299.04919	0.3
300.02728	100.0
301.03439	46.6
302.03857	3.4
343.04486	0.7
463.08801	68.8
464.09103	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	463.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24996	0.4
63.02375	0.7
64.80630	0.6
65.00312	1.7
69.81714	1.0
69.82114	1.5
81.39546	0.5
83.01385	1.5
101.89405	0.6
107.01398	3.1
108.02165	2.0
109.02959	2.0
115.27779	0.5
121.02975	3.0
135.00885	1.4
139.04062	0.7
141.39508	0.4
147.00844	0.8
148.01689	1.4
151.00372	14.1
159.04512	0.6
163.00378	3.5
163.29323	0.5
164.01184	0.8
175.03973	0.6
178.59137	0.5
178.99847	5.5
183.04440	0.7
187.04028	0.8
188.04674	0.6
190.99661	0.6
192.00749	0.7
199.03975	0.8
199.67065	0.6
211.04021	1.8
215.03456	1.1
216.04179	0.7
226.02753	2.5
227.03532	4.1
229.05124	1.0
243.02956	14.9
244.03447	1.6
245.04544	1.4
254.02182	3.1
255.00233	0.9
255.02977	31.7
256.03430	2.4
271.02463	70.7
272.02881	6.6
273.03949	0.8
274.15909	0.5
283.02463	1.8
299.01901	1.8
300.02737	100.0
301.03479	54.4
302.03857	3.9
343.04547	0.5
463.08810	66.7
464.09103	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	463.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.2
61.98830	18.8
71.28136	0.9
78.20001	0.6
82.56612	0.6
108.52940	0.6
124.65841	0.8
144.02184	0.7
160.01645	1.1
172.01643	2.6
173.02432	0.8
176.01099	0.8
185.02440	1.7
200.01105	3.0
201.01880	1.6
216.00629	4.2
226.99666	0.7
228.00613	2.8
229.01385	3.0
242.99368	1.3
244.00148	4.0
245.00890	1.4
257.00900	1.6
271.99606	3.3
282.98834	2.2
283.99603	2.2
298.98477	0.8
299.99103	99.1
300.99857	100.0
302.00183	6.6
385.04877	0.7
460.11996	0.7
463.05161	85.2
464.05347	8.9
464.54166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46076	0.4
59.01385	4.1
59.52456	0.4
61.98833	8.5
69.75951	2.2
71.01382	3.7
73.02926	1.5
83.01390	0.7
85.02943	1.1
89.02433	2.0
95.01382	0.7
99.00870	0.6
99.12614	0.4
101.02450	2.3
109.02933	0.7
113.02420	0.8
115.10731	0.4
119.03461	0.7
123.00892	0.6
125.02478	0.5
135.00845	0.5
148.01694	0.4
160.01677	0.8
161.04617	1.0
163.00339	0.6
169.01418	0.9
172.01654	1.5
173.02490	0.9
176.01170	0.5
185.02458	1.1
188.01044	0.6
189.01723	0.5
200.01154	3.1
201.01843	1.4
216.00630	2.3
226.99786	0.8
228.00662	0.7
229.01439	2.0
242.99298	1.6
244.00157	3.4
245.00920	0.6
257.00943	3.6
270.98883	1.2
271.99585	1.5
273.07675	0.7
282.98792	1.3
283.99591	1.1
298.98337	1.1
299.99097	100.0
300.99835	60.0
301.07028	3.9
302.00201	3.8
331.17621	1.7
463.05170	68.1
463.21844	4.8
464.05417	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	462.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	11.5
61.98835	22.3
63.90528	1.0
71.01380	8.4
71.51995	1.5
72.99313	1.2
73.02952	3.4
75.00871	6.1
76.37647	1.0
83.01367	2.1
85.02941	5.5
88.54894	1.2
89.02441	4.7
95.01379	2.0
97.02944	1.8
99.00878	1.9
101.02435	6.1
107.01371	6.4
108.02207	1.3
111.00916	2.1
113.02480	2.5
115.49891	1.0
121.03017	1.2
123.00896	6.9
125.02441	28.9
129.01932	1.1
131.03479	1.7
131.35576	1.0
137.02444	1.6
139.00386	1.8
140.01155	2.0
141.01927	1.5
151.00356	9.0
159.02911	1.7
161.04532	2.0
168.00639	2.1
169.01427	51.8
170.01826	2.0
177.04051	16.9
178.99883	1.7
211.02457	3.1
227.03572	1.2
243.03114	2.6
255.02934	5.0
271.02451	13.1
299.99100	11.0
300.02731	19.5
300.99875	10.6
301.03537	7.2
329.05148	4.9
331.17624	1.3
399.12939	100.0
400.13290	12.0
461.71454	1.1
462.07443	1.9
463.04242	3.7
463.09930	10.3
463.21991	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	462.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	1.2
59.01378	16.2
61.98831	100.0
71.01392	4.3
71.51793	1.1
73.02947	2.8
74.02473	4.3
78.95899	1.3
83.01376	1.7
85.02941	2.1
89.02424	1.7
91.14462	0.8
101.02448	5.6
107.01376	1.6
113.02422	1.5
117.78164	0.8
119.03397	0.8
125.02443	3.0
127.35686	0.8
133.95924	0.8
137.02405	1.3
151.00363	1.9
161.04541	1.7
166.35565	0.9
169.01390	2.8
178.99832	2.6
182.02139	1.4
209.11778	1.6
219.06641	1.7
224.82321	0.8
227.13031	1.1
243.02721	1.0
255.02928	4.3
258.99677	0.8
271.02432	8.5
284.02902	1.6
298.04935	1.0
299.05167	1.7
299.99039	6.4
300.02664	13.1
300.99826	5.2
301.03473	6.4
315.04678	1.3
327.55176	0.9
355.08060	2.7
462.11438	3.8
462.20813	1.2
462.26764	4.6
463.04221	2.9
463.08798	7.8
463.28494	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03065	0.4
52.26529	0.5
59.01373	1.7
65.00322	1.8
67.01882	1.8
67.50854	0.6
68.99809	1.3
71.01391	2.7
71.50116	0.8
72.99298	1.8
76.50910	0.5
76.79662	0.5
81.57486	0.7
83.01392	2.0
87.00867	1.0
95.01382	1.4
96.99321	1.0
97.02955	1.0
99.00886	0.8
106.00617	0.6
107.01402	1.7
109.06550	0.9
110.00105	2.1
111.00880	15.7
112.01286	0.7
122.07722	0.5
123.00893	3.8
124.00849	0.4
124.01665	8.8
125.02451	9.8
127.00380	6.3
136.98805	10.2
139.00380	16.9
139.20462	0.5
139.21716	0.5
140.01163	24.9
141.01622	0.7
151.00369	2.2
154.99846	1.8
165.74634	0.6
166.99928	0.6
168.00639	43.7
169.01387	7.9
181.12228	0.6
207.10214	3.7
225.11380	3.7
240.97313	0.5
241.01474	0.6
243.45406	0.5
270.01572	0.7
291.19690	0.9
309.20938	0.7
443.20798	1.2
461.21783	100.0
462.22131	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	461.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68080	0.6
59.01381	1.9
65.00328	1.6
67.01897	2.1
67.23005	0.6
68.99810	1.8
71.01381	2.9
71.07555	1.3
72.99306	2.1
76.34740	0.6
78.95926	1.0
82.00636	0.9
83.01387	3.0
87.00880	1.3
93.13122	0.7
95.01387	1.8
96.99335	0.7
97.02953	0.6
99.00893	1.1
106.00605	1.4
107.01377	0.9
109.06602	1.2
110.00114	2.0
110.98520	0.8
111.00891	18.4
113.09729	1.6
122.80608	0.6
123.00900	6.9
124.01682	9.3
124.98895	0.7
125.02461	8.6
127.00391	6.9
136.98822	12.8
139.00383	20.6
140.01172	29.8
141.01599	0.8
151.00366	2.6
154.99855	2.3
164.70390	0.8
164.78630	0.6
166.99837	4.9
168.00655	55.0
169.01431	10.0
175.04002	1.5
179.10674	0.6
180.31062	0.7
207.10316	4.4
225.11337	5.1
253.09326	0.8
280.28882	0.7
291.19742	1.0
293.21249	12.3
294.21619	1.8
299.02066	0.8
301.14532	2.5
309.20642	1.8
319.15549	2.4
412.67059	0.7
417.22653	2.3
443.20847	1.2
461.21811	100.0
462.22107	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	461.2181
Annotation	Debromosceptrin
Peak:m/z	Relative Intensity
57.03446	2.0
59.01364	2.4
65.00322	2.0
67.01892	2.0
68.99775	0.9
69.54210	1.8
69.54633	2.9
71.01373	2.4
72.99297	2.0
74.54112	0.7
78.53733	0.7
78.95902	2.3
79.01877	1.2
83.01369	2.1
83.05031	0.9
84.10247	0.9
95.01398	2.1
97.02905	1.2
107.01353	0.7
109.06594	1.5
110.00089	2.0
110.98521	2.2
111.00879	15.2
111.08149	1.2
113.09723	7.0
123.00877	9.3
124.01674	8.9
125.02451	12.0
127.00376	6.4
136.98805	10.9
137.99115	0.8
138.57619	0.7
138.99332	1.0
139.00380	16.0
139.11247	1.1
140.01161	25.9
141.74124	0.7
151.00359	6.2
153.01917	1.4
154.99832	1.7
163.11328	1.3
166.99838	1.7
167.01137	0.9
167.10822	1.6
167.31915	0.7
168.00638	45.7
169.01416	12.0
177.12701	0.8
179.10959	0.7
183.13965	1.2
185.02211	2.7
195.13879	1.6
197.11809	2.7
206.31488	0.8
207.10320	3.8
211.13426	3.6
225.11348	4.1
263.09311	1.0
291.19647	1.5
293.21234	48.5
294.21585	4.8
301.14352	1.0
309.20749	5.6
310.21112	1.0
319.15509	1.4
443.20615	2.1
461.21817	100.0
462.22171	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	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91747	0.3
53.39039	0.3
55.01871	1.0
57.03439	1.1
58.00600	1.6
59.01380	53.6
59.98521	1.3
60.01708	0.6
61.98829	2.0
69.03456	1.7
69.34013	0.4
70.82927	1.0
71.01382	37.2
72.99312	2.5
73.02948	14.4
75.00882	0.6
81.03468	1.5
83.01385	3.2
85.02951	8.8
86.00114	0.7
87.00877	4.5
87.04530	1.2
89.02446	41.3
90.02757	0.6
93.03464	0.3
95.01387	1.2
97.02938	2.7
98.52701	0.4
99.00887	1.3
99.04514	1.6
101.02444	25.6
102.02767	0.6
103.04021	6.7
108.92692	0.4
109.56070	0.3
110.00079	0.5
110.75137	0.3
113.01712	0.7
113.02451	8.0
115.04014	2.2
119.03500	7.3
123.00925	0.6
124.01662	1.2
125.02452	15.8
126.02779	0.6
127.04017	0.9
131.03499	7.9
137.02463	0.6
139.25880	0.3
143.03496	7.1
145.05099	1.8
149.04544	4.9
149.99586	2.5
153.12846	0.5
155.44981	0.3
161.04604	1.8
163.06126	13.0
167.10771	100.0
168.00655	3.8
168.11090	5.4
169.01335	0.6
174.98784	0.3
179.05653	0.7
183.04437	0.8
191.05609	0.7
192.51161	0.4
197.11874	0.7
205.07149	11.3
207.10320	0.3
211.04059	0.5
225.11464	0.7
227.03490	3.1
233.06638	0.9
255.02989	13.8
256.03647	2.1
265.09314	0.5
283.02475	20.2
284.03220	7.5
293.08771	3.8
298.04819	13.4
299.05569	22.9
300.06024	2.0
315.18115	2.5
375.20145	0.5
417.21201	1.3
461.10922	17.1
461.24210	1.9
462.11115	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.7
57.03444	2.7
59.01378	91.0
62.67113	2.3
71.01381	50.1
72.99310	2.5
73.02948	18.5
83.01386	8.5
85.02955	27.8
87.00891	2.9
89.02439	13.8
95.01384	3.8
97.02956	4.4
99.00896	7.2
101.02439	47.7
113.02444	23.8
119.03495	5.4
123.04511	7.9
125.02453	6.7
131.03485	31.1
137.06084	2.4
159.03014	5.2
161.04556	30.6
169.01407	11.8
211.02484	5.0
221.11819	53.2
222.12106	3.1
269.10287	100.0
270.10623	6.8
271.04498	6.1
300.99939	3.0
309.11761	3.3
401.14117	15.7
401.19019	3.0
402.14413	2.6
461.03088	3.7
461.13040	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81662	1.8
59.01380	52.6
60.99323	2.3
61.98827	2.5
69.40382	14.1
70.17413	1.7
71.01385	12.3
73.02952	1.9
83.01384	2.1
84.80354	1.7
85.02962	4.8
87.00875	5.5
88.00406	3.1
88.98804	19.4
89.02445	56.7
90.02753	2.3
93.03480	2.0
95.05022	2.0
97.02949	2.2
98.19929	3.1
101.02438	4.9
101.11897	1.4
107.01371	3.8
108.02178	3.5
109.02956	4.2
109.06637	4.4
113.02440	3.7
117.03434	3.1
119.05058	2.5
123.04534	4.8
125.02461	13.0
125.46021	1.8
134.06142	2.0
135.04518	4.4
137.02417	4.8
137.06061	2.0
145.02963	14.7
145.72096	2.0
151.00359	3.7
152.01192	2.8
153.01936	4.6
153.05595	6.1
160.04199	1.9
161.02513	2.6
162.05606	10.6
163.00383	2.1
163.11230	4.1
169.01466	17.9
174.05707	1.7
206.04610	5.3
207.08626	2.0
207.10289	12.5
211.03958	2.5
225.11234	8.5
229.32614	1.7
255.02971	61.4
256.03516	6.2
256.09872	1.9
269.04541	4.5
281.04303	2.4
281.06940	2.4
283.02502	49.4
284.03165	19.4
285.03931	5.8
297.04031	12.7
298.04736	15.4
299.02277	2.9
299.05554	14.4
299.99158	6.9
300.08957	3.4
301.00040	3.9
301.03329	2.8
307.08282	3.9
309.04211	2.5
313.03537	4.6
315.01523	6.3
330.39420	1.9
446.08459	17.4
461.11026	100.0
461.25040	11.5
462.11423	12.7
462.24545	2.9
471.69498	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	461.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
56.98877	0.6
59.01379	11.3
60.77451	0.6
69.03461	1.3
71.01388	7.9
73.02940	3.8
81.03450	1.7
81.93014	0.5
83.01380	1.3
85.02949	4.5
86.70131	0.5
87.00879	0.6
89.02453	2.4
93.03487	1.2
95.01410	1.9
96.96990	0.6
97.02933	1.3
98.19864	1.3
101.02445	3.7
103.04041	0.7
107.01401	1.3
108.02177	39.6
109.02966	32.2
109.03564	0.3
110.03315	1.0
113.02448	1.0
115.99496	0.6
119.03545	1.2
121.02972	0.8
123.00896	1.7
123.04579	1.1
125.02455	4.7
135.00850	0.9
135.04538	2.0
137.02448	2.2
151.03972	1.2
152.01158	54.9
153.01962	15.6
163.04015	1.5
165.01941	1.3
168.00607	0.7
169.01422	3.9
186.66933	0.5
211.02515	1.2
213.52704	0.6
238.49747	0.6
250.65192	0.5
271.04507	1.7
309.12006	1.1
425.06961	0.9
461.13043	100.0
462.13406	10.7
471.50235	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17569	0.8
58.00581	0.9
59.01379	38.7
60.01707	0.8
70.50736	2.8
71.01376	18.2
72.99304	2.7
73.02939	1.4
83.01382	1.6
83.05019	2.0
85.02953	5.2
85.06557	1.2
89.02446	22.6
95.01395	2.6
101.02444	15.5
107.01381	2.0
113.02431	7.7
117.97305	2.9
119.03496	9.6
123.00878	3.1
125.02456	9.0
129.05569	13.1
131.03534	1.4
137.02457	1.2
139.00252	1.3
140.01146	2.1
143.03522	1.0
147.06615	2.7
151.00269	1.3
161.04539	1.9
168.00630	3.0
169.01414	14.4
188.75877	0.9
211.02489	11.7
226.70834	0.8
271.04559	10.6
296.26682	1.0
298.03723	0.9
309.11887	68.0
310.12173	3.5
310.15399	0.9
415.12494	2.2
461.12997	100.0
462.13422	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66486	0.6
59.01382	9.7
61.17836	0.5
69.03456	1.3
69.76008	3.1
71.01382	7.6
72.99305	0.7
73.02965	3.2
75.00902	0.7
81.03449	2.0
83.01389	1.1
85.02956	3.5
87.00858	0.8
89.02430	1.8
93.03475	1.5
95.01388	1.8
96.82101	0.6
97.02939	1.6
101.02462	3.7
103.04041	0.8
108.02179	41.9
109.02966	31.8
113.02447	0.9
121.02966	1.1
123.00848	1.6
123.04525	1.0
124.69234	0.5
125.02448	2.4
131.03482	0.6
135.00856	0.9
135.04532	2.1
137.02440	1.4
151.03995	1.0
152.01155	57.4
153.01953	15.0
154.02293	0.8
163.04031	0.9
165.01909	2.1
169.01434	2.1
211.02504	1.0
258.03912	0.6
271.04462	0.8
287.70172	0.7
309.11835	0.8
315.89743	0.7
365.77863	0.7
461.13034	100.0
462.13419	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	461.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56416	1.1
53.28365	1.0
59.01380	45.3
70.99004	2.6
71.01378	18.9
72.99297	2.0
73.02938	2.0
83.01385	2.6
85.02959	6.5
87.00883	1.7
89.01935	1.8
89.02442	23.2
95.01389	1.9
99.00903	1.5
101.02443	16.9
107.01389	5.4
111.00867	1.7
111.04531	1.6
113.02454	8.1
117.03452	1.0
119.03497	7.3
123.00871	3.4
124.01667	1.6
125.02460	24.9
129.05582	9.3
136.98784	1.7
139.00346	2.5
140.01093	1.9
147.06650	7.0
149.67508	1.1
151.00363	2.2
151.77209	1.0
168.00655	6.3
169.01442	30.6
179.05539	1.5
191.03294	1.4
201.01743	1.2
211.02483	28.5
212.02864	1.8
221.11768	1.2
229.01414	1.2
245.00961	1.3
247.02516	1.2
248.70950	1.2
262.43945	1.0
271.04602	31.3
272.05002	1.9
294.60910	1.3
299.98886	1.9
300.99860	2.1
309.11896	73.8
310.12186	4.4
415.12335	1.4
429.10382	1.6
447.12421	1.2
461.03033	2.5
461.12958	100.0
462.13309	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	461.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.5
60.99307	16.6
62.72243	1.2
70.12971	1.2
71.01383	4.7
71.06312	3.2
73.02963	1.9
81.89705	1.3
83.01383	1.7
83.05067	1.7
85.02950	2.8
88.98810	100.0
89.02460	3.6
89.99117	1.4
95.01409	2.8
97.02947	3.0
98.02481	1.5
99.00865	2.0
101.02417	3.1
107.01399	6.1
108.02191	16.1
109.02982	10.7
109.06601	9.4
113.02460	2.6
117.03482	15.2
119.05008	11.2
123.00883	3.2
123.04527	42.9
124.01657	3.5
125.02444	26.4
127.03530	1.4
128.03560	2.7
139.03983	1.5
145.02957	64.9
146.03337	1.6
152.01147	23.0
153.01956	20.6
153.05571	36.0
153.96190	1.4
160.01711	1.6
161.02477	3.1
161.04512	1.8
163.00378	2.0
163.04030	7.7
163.11310	3.9
166.44872	1.5
166.99895	2.2
168.00638	1.6
169.01424	39.2
169.21849	1.2
170.01714	1.9
175.04024	2.1
186.39832	1.2
207.10275	25.8
225.11328	18.1
226.11658	1.4
253.09238	5.2
270.98785	2.7
284.03180	1.7
297.06259	1.9
298.98477	2.2
299.01996	1.2
299.05573	4.3
299.15295	1.4
299.99081	5.1
300.99899	13.9
302.00198	2.2
307.08224	32.0
308.08502	2.3
309.04437	2.1
315.01508	2.8
315.07199	6.7
328.01413	1.4
382.11426	5.0
385.04620	1.8
385.54898	1.7
461.10925	29.0
461.19650	11.5
462.11395	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17335	0.6
57.03440	2.0
59.01377	18.0
60.01720	0.7
61.98827	2.1
65.00343	1.3
66.72657	0.6
69.61008	0.8
69.61411	3.0
71.01382	3.7
73.02943	1.4
83.01378	3.5
85.02944	2.0
87.00855	1.0
89.02463	3.1
93.03516	0.8
97.02981	0.7
101.02464	2.6
106.32469	0.6
107.01386	2.7
109.02979	0.6
111.03113	0.8
113.02467	1.5
119.03485	0.6
119.05020	0.8
121.02995	0.6
123.00919	0.7
124.01689	0.8
125.02451	9.5
135.00865	0.9
137.02460	1.2
143.03520	0.6
145.02962	1.6
149.02455	0.7
151.00359	9.2
152.00984	0.9
153.01938	4.8
158.41913	0.6
159.04588	0.7
161.04486	1.1
167.10873	1.2
168.00620	1.3
169.01439	7.7
173.30937	0.6
174.80530	0.6
179.05629	0.6
181.01357	0.7
183.04536	1.7
185.02437	0.7
207.10301	1.9
211.03996	3.8
225.11333	4.8
227.03522	3.6
240.04294	0.8
241.01312	2.0
241.04979	2.5
245.00861	0.9
253.09135	0.9
254.02237	0.9
255.02979	67.5
256.03244	4.6
269.04477	4.2
270.01788	1.5
270.04919	1.1
271.02393	1.5
283.02466	74.0
284.03027	10.5
285.03696	0.8
298.01694	1.3
298.04800	37.8
299.02078	1.6
299.05435	11.5
300.99939	1.0
341.06763	1.4
461.10919	100.0
461.24973	4.1
462.11246	12.8
462.24527	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50306	0.6
59.01382	14.9
61.98819	1.3
65.00343	1.4
71.01376	3.7
71.52754	0.8
73.02954	1.0
83.01397	1.8
85.02956	1.8
87.00889	1.5
89.02448	2.9
89.20943	0.6
93.03444	0.8
97.02935	0.9
101.02441	2.0
106.97535	0.6
107.01397	1.8
109.02936	0.8
110.03741	0.6
113.02425	1.2
119.03477	0.6
124.01663	0.7
125.02459	9.3
137.02426	1.7
145.02966	0.7
151.00377	6.3
153.01932	3.9
155.10854	0.9
167.10725	0.6
168.00626	0.7
169.01427	8.0
183.04512	1.8
187.04044	0.9
207.10233	1.4
211.03972	3.6
225.11346	3.5
226.02696	1.4
227.03499	3.1
241.01514	1.0
241.05089	2.3
245.00945	0.9
255.02995	69.6
256.03357	5.5
269.04605	4.3
270.01782	1.0
270.05182	1.6
271.02600	1.1
281.17648	1.1
283.02499	76.5
284.03110	13.3
298.04831	42.0
298.08347	0.9
299.02124	1.6
299.05466	12.1
341.06787	1.1
429.07968	0.7
433.11395	1.1
436.16486	0.7
439.21268	0.6
461.10956	100.0
461.24551	4.6
462.11292	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	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.8
61.98831	0.6
65.00359	0.4
69.03433	0.7
69.64498	0.4
69.96811	0.9
69.97212	1.0
71.01382	9.7
72.99307	0.8
73.01411	0.4
73.02947	3.7
79.01891	0.5
83.01385	1.4
85.02954	3.2
86.00200	0.4
87.00880	1.3
89.02443	10.4
93.03451	0.8
97.02956	0.4
101.02446	7.3
103.04023	2.7
106.00613	0.4
107.01395	0.4
110.00112	1.3
113.02445	2.2
115.04002	1.0
117.03384	0.4
119.03512	3.3
123.00903	0.9
124.01671	1.7
125.02454	4.9
131.03500	2.4
143.03490	2.7
145.05040	0.9
149.04486	1.0
149.99585	2.6
151.00368	0.9
159.04607	0.5
161.04568	0.6
161.99557	0.4
163.06120	5.0
165.01900	1.3
167.10770	8.1
168.00623	3.8
168.11110	0.4
169.01434	0.7
169.02858	0.4
179.05655	0.8
183.04474	2.5
199.80858	0.4
200.04741	0.5
205.07153	3.6
211.04005	3.5
212.04683	0.6
219.79369	0.4
227.03485	16.9
228.04100	2.2
239.03706	0.4
243.06677	1.1
255.02980	60.2
256.03558	7.5
271.06116	1.3
283.02466	91.4
284.03152	29.5
285.03632	2.4
298.04813	59.7
299.05576	100.0
300.02792	0.7
300.05963	8.4
341.06635	1.4
375.81894	0.4
461.10892	49.5
462.11221	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.0
60.01704	0.8
61.01805	0.5
61.73203	0.3
61.98817	1.3
69.03449	0.8
69.48492	0.8
69.48911	1.7
71.01378	3.2
73.02906	0.9
79.01936	0.4
83.01385	0.8
85.02975	0.7
87.00848	0.4
88.93730	0.4
89.02435	2.8
90.02756	0.4
95.01401	0.6
98.05093	0.4
101.02448	2.5
107.01361	1.2
110.71045	0.3
113.02438	1.0
119.03455	0.5
119.04995	0.5
121.10214	2.7
122.10591	1.7
123.00861	1.6
125.02444	4.2
131.03496	0.9
145.03003	0.4
147.04506	1.2
151.00343	2.4
153.01935	2.8
161.04733	0.5
161.06085	1.8
163.06052	0.6
165.09224	4.4
166.09537	3.1
167.09677	1.0
167.10902	0.8
168.00665	0.8
169.01445	4.3
177.01933	0.7
189.01961	0.7
199.04008	0.4
202.54359	0.4
203.03511	1.5
205.07243	0.4
211.02367	0.6
211.04091	0.6
214.02609	0.5
217.01407	0.8
225.05487	0.5
225.11313	0.6
226.02611	0.4
227.03488	8.8
228.04036	1.0
229.01460	1.9
229.05069	1.5
241.01437	0.7
241.05042	2.5
242.02171	1.8
243.02966	1.7
245.00793	0.6
247.02556	0.4
248.03261	0.6
249.04150	0.6
253.05194	0.5
255.03026	3.0
255.06570	1.4
256.03543	0.5
261.04053	2.2
267.03015	0.7
269.04581	0.6
269.08182	1.6
270.01654	0.9
270.08835	0.8
271.02383	2.8
274.04614	0.4
277.03729	0.6
281.07913	0.5
283.02554	1.0
283.06226	0.8
284.06805	0.6
285.04083	2.2
286.04410	0.5
287.05606	6.2
288.05869	0.8
296.03500	0.7
296.07040	0.5
297.07651	3.8
298.01190	0.5
298.04767	1.0
298.08084	0.8
299.02194	0.4
299.05511	1.3
301.03427	2.9
313.03384	0.5
313.07104	0.8
314.07913	1.0
325.07169	3.0
326.07446	0.5
327.05072	0.7
342.07385	1.1
343.08322	0.6
353.06628	0.8
357.09793	7.2
358.10217	1.0
385.09354	2.6
417.11801	1.7
440.83551	0.4
461.10889	100.0
462.11212	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15612	0.4
54.31021	0.5
59.01381	12.7
61.98823	1.7
65.00331	0.6
65.67616	0.4
71.01382	4.6
73.02940	1.2
81.03448	0.6
83.01399	1.1
85.02948	1.6
87.00851	0.5
88.04060	1.2
89.02452	3.2
91.01889	0.7
93.03471	1.5
95.01386	0.9
97.02928	0.8
101.02451	3.6
107.01377	1.4
108.02165	5.5
109.02955	39.5
109.06612	2.6
110.03293	0.9
113.02469	2.0
117.03461	3.6
119.03536	1.0
119.05009	3.4
123.00860	1.6
123.04514	6.8
125.02434	4.3
134.03772	0.6
135.04515	0.9
135.08093	0.4
137.02441	2.1
145.02953	14.7
146.03410	0.7
151.00360	1.6
151.04022	0.7
152.01144	8.2
153.01939	37.5
153.05540	5.4
154.02264	1.6
160.01633	0.6
161.02437	1.1
161.04501	1.0
163.00386	0.7
163.04013	4.3
163.11305	1.6
169.01430	4.9
170.01610	0.7
177.01878	0.6
179.07086	0.9
207.10254	6.9
225.11313	5.6
241.01448	0.8
245.00897	0.6
253.09280	1.5
255.02989	58.7
256.03384	5.0
269.04639	2.3
270.98874	1.1
281.17636	2.1
283.02484	40.1
284.03116	10.7
285.03967	2.6
297.03952	7.7
297.06619	0.6
298.01428	0.8
298.04791	11.6
298.98413	0.8
299.05591	6.9
299.99075	4.1
300.99799	1.2
307.08270	6.0
309.04367	0.8
313.03488	3.4
315.01834	2.8
315.07242	19.8
316.07568	1.3
325.03342	1.1
373.18597	0.9
446.08572	12.2
447.08914	2.2
461.10938	100.0
461.24271	3.6
462.11255	12.1
462.22104	0.6
475.32126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46450	0.8
59.01379	13.9
59.79771	0.8
71.01376	4.0
73.02935	1.1
75.99564	0.7
80.86211	0.8
85.02954	2.9
89.02417	0.7
93.03437	2.4
95.01387	2.2
98.19846	1.6
101.02436	1.9
107.01402	1.0
108.02174	67.0
109.02962	30.1
110.03339	1.1
113.02441	1.4
115.76064	0.9
117.03465	25.7
118.03793	1.0
119.05026	6.6
123.00872	1.9
123.04482	0.9
125.02401	2.3
133.03021	1.1
135.00861	3.8
145.02954	72.9
146.03276	4.1
152.01154	87.4
153.01964	27.6
154.02196	1.0
161.02423	1.6
163.03983	5.7
165.01877	1.1
169.01443	2.4
213.05595	1.4
299.98810	0.8
300.99850	1.6
307.08249	3.2
308.08325	1.0
315.07199	42.0
316.07541	2.6
412.24841	0.8
417.11896	1.6
417.75748	0.8
461.10898	100.0
462.11188	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	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97779	0.5
51.98434	0.6
59.01379	9.4
59.40775	0.7
68.16394	0.6
69.66306	2.9
71.01379	2.5
73.02941	0.7
79.01866	0.6
81.03459	0.9
84.43139	0.5
85.02961	2.7
93.03461	2.2
95.01369	1.5
97.02935	0.6
99.00929	0.7
101.02442	2.0
107.01382	1.4
108.02172	60.8
109.02967	26.2
110.03329	1.3
113.02441	1.2
117.03468	26.0
118.03796	0.8
119.05042	6.0
121.02983	1.0
123.00859	1.9
123.95222	0.6
124.01748	0.6
125.02436	6.3
133.02991	0.6
137.02448	1.8
145.02953	67.8
146.03224	3.1
151.03961	0.6
152.01152	84.0
153.01941	25.7
154.02266	0.8
161.02513	0.9
161.04559	1.2
161.05974	0.7
163.03996	6.3
169.01398	7.1
179.03519	0.9
179.20050	0.6
213.05553	1.5
240.94429	0.6
299.99066	0.9
307.08319	2.1
315.01517	1.1
315.07211	36.7
316.07574	2.4
399.07080	0.6
401.17853	0.7
417.11948	2.0
461.10876	100.0
462.11298	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15612	0.4
54.31021	0.5
59.01381	12.7
61.98823	1.7
65.00331	0.6
65.67616	0.4
71.01382	4.6
73.02940	1.2
81.03448	0.6
83.01399	1.1
85.02948	1.6
87.00851	0.5
88.04060	1.2
89.02452	3.2
91.01889	0.7
93.03471	1.5
95.01386	0.9
97.02928	0.8
101.02451	3.6
107.01377	1.4
108.02165	5.5
109.02955	39.5
109.06612	2.6
110.03293	0.9
113.02469	2.0
117.03461	3.6
119.03536	1.0
119.05009	3.4
123.00860	1.6
123.04514	6.8
125.02434	4.3
134.03772	0.6
135.04515	0.9
135.08093	0.4
137.02441	2.1
145.02953	14.7
146.03410	0.7
151.00360	1.6
151.04022	0.7
152.01144	8.2
153.01939	37.5
153.05540	5.4
154.02264	1.6
160.01633	0.6
161.02437	1.1
161.04501	1.0
163.00386	0.7
163.04013	4.3
163.11305	1.6
169.01430	4.9
170.01610	0.7
177.01878	0.6
179.07086	0.9
207.10254	6.9
225.11313	5.6
241.01448	0.8
245.00897	0.6
253.09280	1.5
255.02989	58.7
256.03384	5.0
269.04639	2.3
270.98874	1.1
281.17636	2.1
283.02484	40.1
284.03116	10.7
285.03967	2.6
297.03952	7.7
297.06619	0.6
298.01428	0.8
298.04791	11.6
298.98413	0.8
299.05591	6.9
299.99075	4.1
300.99799	1.2
307.08270	6.0
309.04367	0.8
313.03488	3.4
315.01834	2.8
315.07242	19.8
316.07568	1.3
325.03342	1.1
373.18597	0.9
446.08572	12.2
447.08914	2.2
461.10938	100.0
461.24271	3.6
462.11255	12.1
462.22104	0.6
475.32126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57249	1.0
61.58412	0.9
61.98832	100.0
65.20528	1.0
70.33192	3.7
70.33545	1.0
85.10582	1.0
85.24633	0.9
214.17343	1.1
225.11497	1.0
282.16211	1.3
358.42819	1.1
397.27332	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	460.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45720	0.7
55.01881	2.7
56.02251	0.7
57.03433	1.2
59.01379	47.0
60.01716	1.7
61.98830	100.0
69.03466	1.6
71.01382	8.9
71.52547	1.1
72.74026	0.9
73.02946	2.9
78.95925	1.0
83.01396	0.8
83.05043	0.9
85.02951	2.9
85.94157	0.7
87.04524	2.8
87.92548	0.7
89.02429	5.3
94.14630	0.7
98.22607	0.7
99.00886	1.3
101.02439	6.9
103.04050	0.9
113.02463	4.9
119.03507	1.8
125.02481	2.4
131.03439	0.9
143.03465	1.0
149.04552	0.8
152.99649	0.9
161.04610	2.4
163.11412	0.9
167.10797	1.6
169.01407	1.9
179.05673	0.8
179.10712	0.7
179.14433	1.5
195.13875	4.1
196.14259	2.3
200.62222	0.8
205.12372	2.8
206.12723	1.9
207.10378	1.2
223.13379	30.6
224.13727	25.1
225.11487	1.9
225.14015	1.9
237.11368	3.4
238.11656	3.4
239.12987	3.2
244.35358	0.7
245.01091	1.0
253.09308	6.1
254.09705	2.9
255.02971	1.0
263.12912	0.9
270.01868	1.2
271.02527	1.1
279.89938	0.7
279.93381	0.7
283.02567	1.5
284.03494	0.8
298.04715	1.0
299.02206	1.1
299.05673	2.9
311.15155	1.4
337.64914	0.8
352.36514	0.8
418.25641	1.1
451.90231	0.7
461.10638	2.9
461.20352	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	459.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01726	0.8
61.98835	1.1
65.72208	0.5
71.01395	3.9
71.51807	0.7
73.02950	1.2
77.51524	0.5
78.53835	0.5
83.01392	0.6
85.02968	0.8
87.00906	0.5
89.02450	1.2
90.98615	0.9
92.59167	0.5
95.01434	0.9
97.02977	0.6
101.02460	2.1
105.01958	0.6
107.01411	0.8
113.02458	1.5
123.00912	2.3
125.02448	4.3
133.02989	0.5
135.04520	1.1
139.00415	0.8
139.07620	0.8
151.00394	1.7
161.02499	0.8
161.04643	2.0
165.09198	0.5
168.00639	1.0
169.01408	3.8
205.05144	1.0
214.01817	0.5
307.14059	0.7
357.15674	1.3
399.16574	1.4
459.12003	1.9
459.18771	7.8
460.19418	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2905
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
51.53182	0.4
53.25146	0.3
61.98825	0.9
62.19743	0.4
64.04317	0.3
69.83804	1.0
69.84203	0.6
74.40273	0.4
85.65548	0.4
98.20585	0.5
107.05034	30.6
108.05383	0.8
147.08148	0.5
163.11290	100.0
164.11626	5.2
205.00793	0.4
241.11435	0.3
244.30978	0.4
267.64835	0.3
283.17035	25.6
284.17355	1.8
295.17029	13.6
296.17322	1.8
368.99564	0.4
459.29034	69.7
460.29358	12.6
460.35999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1873
Annotation	Apiosylepirhododendrin
Peak:m/z	Relative Intensity
55.01886	0.6
57.03443	0.9
57.19767	0.3
58.00590	0.9
59.01379	37.0
60.01713	0.7
60.79764	0.3
61.98820	0.5
69.03455	0.5
69.19135	1.4
69.19569	1.9
71.01382	21.1
72.49829	0.4
72.99298	0.8
73.02943	3.7
81.03465	0.6
81.07096	2.3
83.01371	1.6
85.02944	3.4
87.00888	0.7
89.02445	27.5
90.02785	0.4
95.01389	0.5
97.02962	0.9
99.00874	1.8
101.02441	11.3
113.02457	4.7
119.03539	1.8
121.10235	57.8
122.03756	0.7
122.10587	2.6
125.02450	5.6
126.02850	0.3
129.01968	0.5
131.03499	12.7
137.09732	1.1
143.03470	0.6
149.04552	9.9
161.04561	1.5
163.06090	0.6
163.24071	0.3
165.09203	100.0
166.09552	5.5
169.01434	1.2
191.05614	4.9
195.26717	0.3
205.07123	0.5
207.10266	0.8
212.72244	0.4
233.06744	0.5
276.72556	0.4
293.08624	1.6
313.16510	0.9
459.22314	1.3
480.89407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87511	1.4
59.01378	6.2
59.41158	1.2
61.98826	1.7
69.25152	4.4
69.25571	7.4
70.22771	1.3
71.01388	4.1
73.02947	46.3
83.01414	1.2
83.91724	1.2
85.02944	2.1
89.02452	4.9
92.96006	2.7
96.96007	4.3
97.88628	1.3
99.00896	5.1
101.02441	1.4
105.56281	1.2
109.02954	2.0
113.02473	2.5
116.92859	10.9
116.97263	1.4
117.01940	100.0
118.02287	3.1
121.02907	1.2
123.77419	1.3
125.02448	3.9
148.04007	2.1
151.02486	1.2
152.21346	1.4
153.02025	1.8
169.01358	3.3
191.05524	1.9
201.05447	1.5
341.10715	3.4
459.12216	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	458.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
59.01377	12.1
61.98820	2.7
69.03433	1.1
71.01376	6.2
71.50937	1.0
72.99326	1.3
73.02940	1.7
81.03441	1.0
83.01389	1.2
85.02946	2.1
87.00912	1.5
89.02435	4.5
92.00748	0.8
95.01364	1.4
98.02448	1.3
101.02431	2.3
107.01405	4.6
111.00873	2.7
113.02427	1.8
121.02934	2.0
123.00890	4.5
124.01642	3.8
125.02448	27.2
125.06084	1.0
126.02770	1.8
127.00359	1.5
135.04515	1.3
136.98799	1.6
137.02483	1.0
139.00342	3.8
140.01143	5.1
145.05038	3.9
147.06578	1.0
149.02534	1.1
150.03142	1.0
151.00296	2.2
151.04019	12.7
152.01021	0.9
154.06250	2.5
160.01656	1.0
161.02464	1.5
161.04532	1.0
163.03987	1.5
165.01874	2.5
167.03479	1.5
168.00656	13.7
169.01424	34.0
170.01761	1.8
194.02176	1.5
201.05490	1.5
211.02480	54.6
212.02786	3.4
231.47539	0.9
238.15997	1.0
241.03459	1.1
254.04350	1.6
263.05646	2.1
271.04581	100.0
272.04956	6.2
289.03397	1.3
307.04575	4.3
310.56671	4.1
327.14517	1.1
331.06677	4.2
332.34875	0.9
457.61401	3.8
458.14084	2.6
459.10202	2.1
459.15427	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	459.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	32.8
59.07689	0.5
61.98820	2.5
70.88959	1.3
71.01389	3.9
73.02934	0.7
75.00813	0.6
83.01380	1.0
85.02953	1.3
87.00876	0.8
89.02432	2.6
91.01900	0.6
101.02436	2.4
107.01424	0.7
111.00871	1.0
113.02448	1.1
119.03414	1.2
121.02973	0.7
125.02444	3.0
134.23924	0.5
140.52667	0.5
147.00908	0.9
156.21182	0.5
161.04559	1.5
163.00354	1.4
166.99820	0.7
169.01402	3.3
169.02875	1.4
181.02972	1.5
197.02396	1.8
198.03169	1.4
202.99846	1.5
206.99400	1.1
208.89226	0.6
209.02434	2.3
210.03084	0.9
213.01872	1.4
214.02745	0.9
215.03490	0.6
225.01938	4.6
225.05467	0.8
226.02708	2.5
227.03395	0.8
228.00612	0.8
229.01321	1.5
237.01895	3.0
238.02603	1.3
240.00578	1.5
241.01437	1.0
241.05202	1.0
246.98808	3.0
253.01390	6.6
254.02138	2.5
255.02737	0.7
256.03531	0.6
265.01367	1.4
266.02170	1.8
267.02664	1.1
268.00153	2.1
269.00955	3.2
269.04349	1.5
270.98941	0.9
271.02411	0.8
271.99713	0.7
281.00879	10.4
281.04080	0.6
282.01688	6.8
283.02170	0.8
283.99576	1.3
285.03934	1.4
288.02875	0.7
293.00876	1.3
295.99649	3.0
297.00446	15.5
297.03986	2.1
298.01138	6.6
299.01871	1.3
307.99622	0.9
309.00409	14.9
310.01117	4.3
311.01987	1.0
311.05603	0.6
312.02719	0.8
313.03552	2.0
315.04761	0.8
318.00421	1.3
324.99860	4.7
325.03583	1.9
326.00522	2.0
336.99973	9.1
338.00204	0.9
340.02173	2.4
341.02917	3.2
352.99335	8.6
353.06244	0.7
353.99832	1.8
355.04623	1.4
357.02509	4.0
369.02573	4.6
380.98859	2.5
383.03934	1.0
385.01904	4.8
399.03595	2.4
399.23798	0.8
412.00842	1.3
413.01480	100.0
414.01810	10.5
441.04703	2.3
442.05359	1.4
459.05554	18.9
460.06042	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	457.3323
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
55.98269	0.7
71.49858	0.7
71.50306	1.1
73.58416	1.0
112.96484	0.7
119.16121	1.0
122.03740	21.9
124.01730	1.2
135.04526	8.5
136.01682	4.6
136.05284	1.0
149.06094	1.5
159.04501	4.5
163.04021	1.8
173.06021	2.2
176.04681	2.8
177.09213	0.8
187.04025	10.1
187.07599	1.5
188.08409	1.1
189.05736	1.0
191.10750	1.2
201.05577	1.1
201.09196	1.2
202.06325	8.7
205.12335	1.6
208.03853	0.9
216.07863	3.8
219.13835	1.4
229.08707	2.2
247.17036	2.1
271.16940	1.2
301.21783	2.1
315.23148	1.1
345.27954	100.0
346.28271	13.5
357.28101	1.5
382.28644	1.1
386.28204	3.1
395.29196	1.5
399.28992	9.8
400.29431	1.2
410.28455	2.6
411.32736	7.0
413.30545	6.5
414.31326	1.8
425.27048	1.0
427.28680	1.0
428.29559	2.7
439.27643	0.6
439.32153	35.2
440.32626	4.8
457.33270	78.4
458.33572	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	457.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53220	0.5
51.06348	0.4
55.01860	0.7
57.03458	1.1
57.14032	0.5
59.01379	100.0
60.01719	1.1
69.03442	0.6
71.01379	16.6
72.99300	0.6
73.02942	8.1
73.52670	0.5
81.03456	0.7
83.01386	1.5
85.02945	5.9
87.00925	1.1
89.02445	8.8
95.01419	1.6
99.00884	1.0
99.04527	0.8
101.02443	10.5
113.02451	12.1
119.03497	3.4
125.02454	1.2
131.03490	0.9
143.03513	1.4
149.04494	0.5
161.04532	3.5
163.04057	0.5
169.01482	0.7
179.05612	1.3
397.22260	5.2
415.23450	4.4
416.23468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03450	2.7
59.01379	100.0
60.01707	0.8
69.25789	3.3
71.01382	13.3
71.05020	0.6
71.29981	0.3
72.99290	0.5
73.02945	4.2
77.34650	0.3
81.03471	1.5
83.01406	2.1
85.02947	5.6
85.03415	0.6
87.00903	0.7
88.43038	0.4
89.02447	6.5
95.01400	1.6
97.02991	0.4
99.00887	1.0
99.04527	1.6
101.02438	7.9
105.18215	0.4
112.01770	0.4
113.02446	12.7
114.02768	0.4
119.03482	2.8
143.03523	1.1
159.03020	0.6
161.04564	2.6
181.60303	0.5
325.16821	0.6
327.18158	0.4
343.17691	0.4
397.22290	7.0
398.22620	0.8
415.23380	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	457.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
55.77467	1.4
57.03430	1.7
58.00599	2.3
59.01383	60.2
62.73851	1.6
67.14010	1.5
71.01382	37.6
71.51235	2.1
72.99308	3.0
73.02952	2.5
83.05004	1.6
85.02955	7.6
89.02445	36.4
89.02946	2.7
95.01397	3.0
95.17152	1.5
96.02761	1.7
96.96017	3.0
101.02442	25.6
109.02983	4.0
111.04520	2.1
112.08504	1.5
113.02441	15.5
118.05141	2.3
119.03515	17.0
119.05061	8.1
121.06572	2.4
123.08182	5.1
125.02454	5.6
143.03503	2.0
145.02960	4.0
163.04031	7.5
169.01462	5.3
169.10257	1.7
171.11845	4.6
172.03816	1.5
179.05656	2.9
189.12833	10.6
215.10800	2.3
233.11943	3.7
271.04752	1.5
277.10916	8.5
401.05618	1.5
407.80807	1.8
457.17307	100.0
458.17874	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	457.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45137	0.2
53.31303	0.2
61.96837	0.2
69.57968	0.9
87.90420	0.1
99.92582	6.0
100.92668	0.4
100.93359	5.4
101.93370	0.2
115.92080	100.0
116.92086	5.5
116.92870	7.0
117.92534	0.2
132.92375	1.2
142.94400	0.2
155.95164	0.3
169.94266	0.2
172.95465	6.2
173.95497	0.4
200.69075	0.2
252.79662	0.2
260.43536	0.2
283.26590	0.5
383.19012	0.5
399.18655	0.2
409.20438	0.8
420.80731	0.2
421.29202	0.2
427.01511	0.2
431.48303	0.2
439.21371	0.4
457.22629	3.9
457.32388	0.2
458.22910	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.5
55.77467	1.4
57.03430	1.7
58.00599	2.3
59.01383	60.2
62.73851	1.6
67.14010	1.5
71.01382	37.6
71.51235	2.1
72.99308	3.0
73.02952	2.5
83.05004	1.6
85.02955	7.6
89.02445	36.4
89.02946	2.7
95.01397	3.0
95.17152	1.5
96.02761	1.7
96.96017	3.0
101.02442	25.6
109.02983	4.0
111.04520	2.1
112.08504	1.5
113.02441	15.5
118.05141	2.3
119.03515	17.0
119.05061	8.1
121.06572	2.4
123.08182	5.1
125.02454	5.6
143.03503	2.0
145.02960	4.0
163.04031	7.5
169.01462	5.3
169.10257	1.7
171.11845	4.6
172.03816	1.5
179.05656	2.9
189.12833	10.6
215.10800	2.3
233.11943	3.7
271.04752	1.5
277.10916	8.5
401.05618	1.5
407.80807	1.8
457.17307	100.0
458.17874	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	457.135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56695	0.8
57.03434	0.8
59.01389	7.6
61.98813	2.1
69.03442	1.8
69.39910	1.6
69.40334	4.7
71.01380	4.0
72.99287	1.4
73.02915	3.2
78.95872	0.7
81.03430	0.9
85.02960	4.1
87.00865	0.8
89.02431	1.6
93.03420	1.3
95.01360	2.1
95.05042	7.5
97.06592	21.6
98.06841	0.8
98.20609	1.1
101.02408	2.6
107.01347	2.2
108.02177	40.9
109.02961	26.4
110.03235	1.0
111.00861	1.4
111.04524	0.9
113.02390	2.1
115.07590	3.0
121.02918	0.9
123.00884	8.5
125.02459	7.3
125.06015	0.8
125.38854	0.7
137.06024	0.8
139.00284	1.3
139.07620	1.4
140.01109	0.9
141.05499	1.3
143.07047	1.4
148.23769	0.8
151.00287	3.1
152.01155	54.9
153.01947	18.7
155.07045	2.1
157.08606	1.3
159.06654	10.2
160.01572	1.2
161.02361	0.8
161.04291	0.9
163.03917	1.4
165.01874	0.9
168.00589	1.8
169.01440	10.7
178.60968	0.8
183.06647	4.2
206.81769	0.7
211.02390	1.1
236.48952	0.8
243.08513	2.0
250.33658	0.7
283.63873	0.8
295.08020	1.0
295.15332	0.9
305.12338	1.1
313.05756	0.8
315.06967	1.0
383.05746	0.7
413.14426	1.7
457.13089	100.0
458.13571	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	457.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	9.7
59.04676	0.6
61.98835	4.7
69.03478	0.7
69.78023	3.4
71.01376	7.0
73.02943	1.3
75.00894	1.1
78.96007	0.6
85.02939	2.1
87.00890	0.9
89.02451	7.4
93.03477	1.7
99.00873	2.2
101.02402	3.8
107.01443	1.0
113.02441	1.8
117.03472	24.6
119.05031	100.0
120.05392	4.1
121.02985	1.0
123.00891	1.9
123.04514	1.0
125.02454	5.2
128.03517	1.0
131.03528	4.6
133.06612	1.4
135.04465	0.8
137.02489	1.7
145.02957	97.2
146.03305	5.8
147.04462	0.9
149.04576	1.3
151.00293	1.0
152.01189	0.9
154.03285	1.3
158.03662	0.9
159.04471	1.3
161.02440	0.8
161.06056	2.1
163.04013	93.2
164.04369	5.0
168.00606	1.1
169.01425	4.8
171.87564	0.7
179.03510	0.9
184.04407	1.6
187.03944	4.5
191.05638	2.3
205.05046	4.5
208.00215	0.9
211.02487	3.0
253.32533	0.7
271.04623	4.5
311.09991	0.9
325.09079	0.9
327.10120	0.7
330.80292	0.6
347.43997	0.8
397.11240	0.9
446.97034	0.9
457.13544	54.1
458.14026	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	456.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25031	0.4
59.01381	2.0
59.37030	0.4
61.98830	100.0
65.93526	0.4
69.68645	1.9
71.01406	1.1
73.21696	0.4
89.02457	0.8
98.20655	0.5
101.02438	0.5
107.01386	0.9
108.02175	1.3
109.02966	0.4
111.00893	0.5
123.00890	1.6
123.87755	0.4
125.02444	2.5
134.14030	0.4
139.00360	0.7
151.00449	0.4
152.01143	1.0
153.01952	0.8
169.01453	3.4
170.01808	0.5
260.64578	0.4
300.99985	0.4
305.12372	0.5
369.19553	0.5
457.13571	4.6
457.18146	2.4
481.52151	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
61.98834	100.0
69.86256	0.4
74.34143	0.4
81.97797	0.4
84.76689	0.4
174.19963	0.4
176.46567	0.4
186.70618	0.5
202.09389	0.4
228.27391	0.5
229.49115	0.6
368.65408	0.4
393.26590	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	457.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19521	0.4
57.26018	0.4
58.28427	0.4
59.01381	7.2
61.41455	0.4
61.52005	0.4
61.98812	1.3
69.36980	2.0
69.37389	1.3
71.01380	4.4
72.99284	0.4
73.02933	0.7
77.29488	0.4
83.01386	0.7
85.02968	0.9
89.02448	5.1
93.03426	0.6
98.19931	1.0
99.00886	1.0
101.02445	2.6
107.01401	0.6
108.02181	0.9
108.64740	0.4
109.02950	0.6
113.02451	0.8
115.91079	0.5
117.03460	27.7
118.03814	1.5
119.05024	24.2
120.05394	0.7
123.00900	1.6
123.04552	2.3
125.02434	4.9
131.03503	5.9
133.06595	0.9
135.04538	0.6
137.02438	0.8
137.06044	0.5
145.02948	100.0
146.03284	5.2
146.65344	0.5
149.02429	0.9
149.04555	1.7
149.06039	0.4
150.03232	0.6
151.00362	1.6
151.04005	6.0
152.01044	0.5
153.01936	5.7
159.04527	0.8
161.06100	1.7
163.04004	54.0
164.04361	2.0
169.01387	2.4
179.03551	0.5
187.03986	5.5
191.05623	1.9
191.07188	0.5
205.05064	2.8
233.12048	0.7
303.05084	6.4
304.05737	0.6
337.09512	0.6
338.38190	0.4
457.08127	0.7
457.13483	4.7
458.14087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08276	0.4
57.74717	0.4
58.00344	0.5
59.01373	3.2
60.01707	0.4
61.98830	100.0
64.42577	0.4
69.32473	0.9
69.32878	2.9
71.01379	0.8
92.92562	0.5
101.02468	1.1
108.02190	1.2
123.00931	0.7
124.90361	0.4
125.02452	1.2
139.30086	0.6
152.01118	0.7
153.01764	0.5
169.01462	1.7
176.91478	0.5
211.02588	0.7
271.04779	0.6
311.17120	0.5
456.12610	1.5
457.17352	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	455.3167
Annotation	3-Dehydro-15-deoxoeucosterol
Peak:m/z	Relative Intensity
51.31072	0.5
55.93150	0.5
68.99574	1.3
69.50666	0.4
69.83559	0.9
69.83955	1.9
71.01401	0.6
71.05046	0.7
78.84777	0.4
98.20640	0.6
103.51218	0.5
112.98550	0.9
121.03014	0.5
122.03748	18.4
124.01668	1.3
135.04527	9.9
136.01662	4.5
136.05251	1.0
136.74554	0.4
137.02504	0.5
146.03899	0.5
146.81940	0.5
148.05287	0.6
149.06079	2.0
159.04520	3.9
160.05293	0.6
161.06030	0.6
163.03979	2.6
172.05367	0.9
173.06047	2.6
174.03218	0.5
174.06825	1.1
175.07652	0.6
176.04799	2.8
177.05508	1.0
177.09225	1.4
186.06516	0.5
187.04027	10.2
187.07600	1.0
188.04608	1.3
188.08447	2.0
189.05588	1.5
191.10762	1.5
201.05560	1.8
201.09192	2.2
202.06357	9.7
203.06923	0.7
205.12286	1.3
208.03786	0.8
215.07140	0.9
215.10905	0.5
216.07852	2.6
219.13850	1.4
229.08722	2.6
231.10365	0.7
233.15501	1.3
237.97258	0.6
243.13911	0.6
247.17055	0.7
256.31107	0.6
257.15561	0.7
271.13388	0.6
273.68744	0.5
285.14737	0.6
312.51736	0.5
313.21777	1.1
343.26416	100.0
344.26776	11.4
351.23294	0.5
355.26428	0.8
357.24387	0.7
358.25058	0.6
369.27979	1.0
370.25146	0.6
380.27441	0.8
383.25641	1.5
383.30020	0.8
384.26733	4.0
385.31097	0.8
393.27914	1.4
397.27475	11.0
398.27896	1.8
408.26593	3.2
409.25900	0.5
409.31189	8.8
410.31473	1.7
411.28912	5.0
412.29752	1.9
421.27838	0.6
426.27808	2.0
437.30603	32.6
438.30948	5.0
455.31656	93.2
456.32010	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	455.3165
Annotation	3-Dehydro-15-deoxoeucosterol
Peak:m/z	Relative Intensity
50.66132	0.9
53.74849	0.9
64.13505	0.8
67.29176	1.0
71.01364	1.8
71.05027	1.9
71.41085	1.2
122.03738	10.2
135.04532	8.2
136.01662	2.7
136.05267	3.4
147.04506	3.1
149.06046	2.9
159.04564	5.3
161.02429	4.2
161.06087	1.3
162.03201	4.0
163.03973	3.8
175.04012	2.5
176.04778	6.4
177.05672	1.3
187.04012	3.9
187.07596	0.9
194.72285	0.9
201.05614	1.2
202.06073	1.0
216.07866	1.7
309.89023	1.0
340.43808	1.0
341.24557	1.1
343.22208	1.8
343.26385	31.7
344.26691	4.1
355.26477	1.5
358.24988	1.2
369.27954	1.5
382.24982	2.9
383.25586	3.0
383.29651	5.7
384.26532	3.4
394.98471	1.0
397.27496	8.4
398.27597	1.4
408.26938	1.3
409.30945	3.3
411.29062	3.5
437.30521	4.4
455.31635	100.0
456.31921	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	455.2649
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
57.03444	1.4
58.00588	2.2
59.01380	35.3
62.36544	0.8
71.01382	24.5
72.99306	2.4
73.02923	1.1
80.09202	0.7
83.01366	1.7
85.02938	6.9
87.00854	1.2
89.01931	1.3
89.02445	18.2
92.71529	0.8
95.01366	2.1
98.20682	1.5
101.02441	12.4
102.02785	0.7
111.08169	0.8
113.02449	7.0
114.78076	0.7
119.03521	5.8
169.01405	0.8
171.10278	2.6
179.14439	1.4
183.45744	0.7
188.57408	0.7
191.12569	0.7
209.11784	1.3
213.78831	0.8
223.13310	1.9
275.20135	5.9
293.21234	25.3
294.21503	2.3
389.94604	0.6
455.26492	100.0
456.26846	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	455.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22172	0.5
52.16040	0.5
57.03450	0.9
59.01384	100.0
60.01725	0.7
61.98837	1.8
67.01930	0.6
68.99848	0.5
71.01382	11.4
71.52705	0.9
72.99339	0.9
73.02951	2.8
79.01913	0.9
81.03445	0.7
83.01398	1.9
85.02957	3.3
87.00912	1.0
89.02451	9.9
95.01406	2.1
98.76855	0.5
99.00932	1.0
101.02446	7.0
104.65506	0.5
108.02228	1.1
111.00813	0.5
113.02453	6.2
116.71871	0.5
117.03519	0.6
119.03532	2.9
123.00898	14.9
123.04549	0.7
125.02432	3.1
125.52567	0.5
129.60176	0.5
132.87675	0.6
137.02420	0.8
137.09756	2.3
139.00352	3.2
141.01959	1.8
143.03564	0.7
149.04581	0.6
151.00372	15.4
152.00894	0.6
159.03047	0.8
161.02425	0.6
161.04558	5.7
166.99686	0.6
169.01503	4.0
175.03990	0.5
179.03423	0.5
179.05621	1.5
203.03581	1.4
209.11955	0.7
229.01474	0.6
231.03027	0.9
233.15627	0.7
259.02621	1.8
275.02130	0.9
285.79938	0.5
303.01483	20.1
304.01810	1.2
309.45007	0.6
347.00534	0.6
395.20792	1.0
413.21695	0.7
455.02600	2.8
455.14682	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
57.03450	2.7
58.00586	2.1
59.01380	65.0
61.98831	27.4
65.49388	1.5
69.03446	2.3
71.01384	34.5
71.51441	2.4
72.99313	2.1
73.02947	16.2
78.95919	1.9
81.03459	1.5
83.01386	13.0
85.02948	18.7
89.02442	9.7
90.02779	1.4
93.59531	1.4
95.01397	3.8
96.95976	2.3
97.02953	3.7
99.00893	6.7
101.01800	3.0
101.02448	48.5
102.02782	1.8
107.01395	9.3
108.02181	7.1
109.02962	5.9
110.71420	1.5
111.00879	3.6
111.70325	1.4
113.02451	17.2
119.03490	2.6
119.05035	3.7
121.02975	1.6
123.00935	6.4
123.04576	2.6
125.02451	33.4
126.02763	3.3
129.01929	1.4
131.03452	1.8
137.02492	2.0
140.01097	1.7
143.03471	2.6
145.02896	1.3
148.14967	1.5
151.00336	4.0
152.01140	8.2
153.01920	2.3
159.02956	3.3
159.04459	2.6
161.04553	17.6
163.03979	4.4
168.00630	2.1
169.01421	44.5
169.02841	2.8
170.01755	5.7
173.02431	1.9
175.03998	1.9
203.03555	1.9
211.02371	3.0
219.03012	2.0
221.45078	1.4
229.07401	1.9
231.02948	2.7
247.02429	6.4
247.08180	1.7
249.13419	73.6
250.13780	4.6
257.00992	2.4
271.04520	5.1
275.01892	3.0
293.03027	4.6
300.99774	3.4
302.00272	2.0
315.07074	2.7
377.38812	1.5
395.19211	100.0
396.19400	12.2
437.14664	1.7
455.11359	5.7
455.15860	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	455.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.7
57.03448	1.2
58.00591	0.9
59.01378	83.4
71.01382	24.0
71.51086	0.8
71.51817	1.3
72.99310	1.6
73.02946	12.3
73.61007	0.8
78.95908	2.5
80.28615	1.0
83.01385	6.6
85.02943	14.9
87.00861	1.3
89.02417	4.4
99.00887	6.6
101.02443	32.7
101.64845	0.9
108.02159	4.7
109.02943	3.2
113.02448	13.1
125.02441	2.2
129.01875	1.1
131.03500	39.7
133.22015	0.8
147.04521	3.4
152.01167	4.9
159.02975	3.0
161.04541	9.1
169.01454	1.7
204.08148	1.3
263.14975	100.0
264.15265	5.5
333.33847	1.0
395.19241	18.1
396.19653	1.6
455.15771	6.8
456.16254	1.2
465.20422	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.6
57.03445	3.3
59.01378	100.0
61.98831	8.8
69.03465	3.2
70.54250	6.7
71.01381	78.9
71.05019	6.2
72.99312	2.4
73.02945	22.1
73.15222	2.0
83.01379	8.3
83.05024	9.3
85.02956	33.2
88.98788	2.4
89.02448	23.0
93.03470	4.8
95.01389	9.5
96.96000	2.1
97.02962	3.5
99.00875	12.6
99.13081	2.3
99.13739	2.3
101.02448	48.3
101.06078	25.2
111.00845	2.6
113.02451	35.2
114.05617	4.4
119.03489	5.3
125.02466	17.6
129.01865	2.3
131.03493	36.1
137.02432	8.6
143.03479	5.1
144.60062	1.9
147.04468	4.9
149.04517	6.7
156.06633	6.6
157.69786	2.2
159.02977	8.4
161.04543	53.2
164.07124	7.7
167.32205	2.3
169.01358	14.5
179.05630	2.8
247.02440	3.0
248.02783	4.3
249.03078	3.8
257.00873	2.2
263.11353	99.6
264.11621	8.4
267.24899	2.2
275.01895	2.8
285.05930	2.3
293.02972	3.9
293.08661	5.3
300.99768	3.7
307.10254	5.6
341.10733	3.1
383.14828	2.4
393.09048	2.3
395.15530	32.3
396.16031	3.6
408.20551	2.2
453.01788	2.4
455.08105	8.6
457.91788	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	455.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52996	1.2
52.80293	1.0
59.01381	47.3
59.93076	1.2
69.03458	2.4
69.47574	3.2
69.48000	5.3
71.01382	30.1
73.02939	3.0
78.95910	16.0
79.90059	1.1
81.03452	1.8
83.01414	1.9
83.55180	1.1
85.02979	6.1
89.02444	44.9
90.73128	1.1
93.03473	5.5
95.01430	1.5
96.35754	1.3
96.96965	20.7
97.02953	2.9
101.02435	11.8
101.06081	100.0
102.06414	1.4
107.01390	9.9
108.02242	2.9
109.02991	1.5
111.00867	1.7
113.02457	6.8
116.92861	1.5
119.03484	2.6
119.05067	1.5
122.03669	1.4
123.00867	5.5
123.53963	1.0
124.01733	6.4
125.02459	37.2
126.02808	5.9
127.03016	1.3
128.67914	1.1
131.03506	18.8
137.01593	1.5
137.02461	14.0
138.97891	1.4
139.00346	2.6
139.04001	2.2
142.22437	1.0
143.03532	2.2
149.04561	16.0
152.01114	3.6
156.58102	1.3
159.04639	1.3
163.04030	1.6
169.01422	30.0
170.01787	8.9
171.01903	3.4
173.04623	1.6
183.02972	1.6
191.03893	1.0
191.05563	5.7
199.00021	1.5
203.03548	2.6
211.02531	1.6
213.01808	2.0
231.02946	2.0
233.06569	2.3
247.02094	1.4
248.03162	1.2
255.08672	1.4
257.00839	1.5
275.01987	6.4
276.02222	2.6
293.03082	2.0
293.08783	20.0
300.99896	8.3
302.00201	4.3
315.05838	1.5
329.07660	1.5
395.15558	5.0
454.55347	1.5
455.10873	40.2
456.11356	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	455.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.8
61.98824	1.4
63.20383	0.5
67.01868	0.7
68.99831	1.1
69.03468	1.6
70.64726	1.1
71.01376	7.6
72.99298	0.9
78.95916	0.9
79.01908	0.9
81.03471	0.9
83.01390	1.4
85.02968	1.7
87.00882	1.4
88.98795	0.5
89.02468	1.7
93.03463	1.0
95.01379	2.5
96.96016	1.5
96.96970	1.2
97.02978	1.6
99.00864	0.8
101.02445	2.5
101.85766	0.5
102.73389	0.6
107.01389	13.9
108.01702	0.9
109.02947	0.7
111.00877	4.1
113.02436	3.0
119.05025	1.5
121.02992	0.7
123.00887	11.8
124.01685	1.4
125.02451	69.1
126.02786	3.3
129.01979	0.6
136.98865	0.8
137.02426	2.1
139.00348	3.6
139.04056	1.1
140.01144	2.3
141.01961	4.3
145.02995	0.7
149.02504	0.5
151.00372	6.2
151.04039	0.5
153.01991	0.7
159.04491	0.5
161.02562	0.8
163.04024	1.3
165.01979	0.7
168.00609	4.2
169.01424	100.0
170.01773	7.3
175.04034	0.8
191.03270	0.5
201.02193	0.5
203.03419	0.5
211.02486	11.1
212.02887	1.1
219.03069	0.6
231.02963	1.6
241.03520	4.5
247.02451	1.2
248.02600	0.7
249.03566	0.6
257.00845	0.5
271.04587	30.5
272.04922	1.9
275.01993	3.9
276.02316	1.4
293.03033	0.8
300.99921	4.9
302.00299	2.9
313.05649	30.1
314.06055	2.6
331.06726	2.0
419.11810	0.6
427.08875	1.3
455.08301	56.7
456.08615	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	454.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01095	1.1
55.34418	0.9
59.01390	1.5
61.98833	100.0
66.51627	0.9
71.01374	1.1
71.51335	1.1
78.07778	1.0
90.09472	0.9
107.01388	1.0
113.53397	0.9
115.53653	0.9
125.02440	1.0
155.12624	0.9
169.01344	1.6
196.34827	0.9
198.52226	1.0
292.19977	2.1
320.26053	1.0
321.13123	0.9
334.45471	1.0
374.66660	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98804	0.9
53.34692	0.8
55.82088	0.7
59.01372	13.6
59.37538	0.9
60.45863	0.7
65.00332	2.1
69.48415	6.1
70.86883	0.7
71.01375	3.2
73.02950	1.4
76.89962	0.8
81.20633	0.9
83.01354	1.0
85.02944	2.9
89.02438	0.9
89.03911	0.7
99.00895	1.1
101.02424	2.6
104.02658	0.8
105.37680	0.8
109.02953	1.2
111.00940	1.1
113.02460	1.2
117.03494	1.2
123.04483	0.8
125.02442	1.7
132.02168	1.2
135.04466	0.9
137.02414	2.8
148.01628	1.0
159.04507	1.9
161.02463	4.1
163.03952	1.1
169.01459	2.0
171.04489	1.7
172.01666	6.4
173.02115	1.1
174.03201	1.3
175.03983	2.8
183.03024	1.2
183.04515	2.2
185.02408	2.1
186.03212	1.4
187.03981	2.7
189.01956	2.2
199.03960	4.3
200.01166	3.1
201.01904	1.4
203.03514	3.7
205.04996	1.3
211.03978	2.9
213.01895	2.5
227.03441	4.7
228.00723	1.9
229.01384	2.8
230.02135	6.1
231.02950	2.7
238.02702	0.8
241.01247	1.2
243.02948	6.8
253.01427	1.4
255.02960	3.7
256.00116	98.5
257.00574	8.4
259.02576	1.5
263.15036	1.8
269.00793	2.1
270.01672	1.2
271.02493	4.2
274.01169	24.6
274.04138	1.4
275.01624	2.5
281.00876	0.9
282.01575	1.2
299.01984	14.3
300.02347	1.5
317.03064	2.2
395.19165	3.8
437.05048	17.9
438.05493	2.6
445.88641	0.8
455.06183	100.0
455.16278	3.2
456.06497	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	454.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09071	0.4
60.74728	0.4
61.98831	100.0
65.24123	0.3
69.76587	1.5
74.08421	0.4
89.44282	0.4
90.46505	0.5
93.20576	0.4
111.81765	0.4
122.56331	0.4
125.02480	0.6
169.01466	0.4
181.29271	0.4
186.95425	0.4
212.55336	0.4
294.87491	0.4
458.58514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.42839	2.9
98.20595	0.9
125.02464	0.9
158.88762	0.5
166.74690	0.4
168.06406	0.4
169.01425	1.3
171.10228	0.4
188.14751	0.5
300.99850	0.7
381.66849	0.5
391.25107	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	453.3008
Annotation	23-Deoxyantheridiol
Peak:m/z	Relative Intensity
55.59271	0.6
70.05751	1.2
71.05011	0.7
71.27839	0.7
91.29671	0.6
106.43524	0.5
108.02158	1.0
121.02951	0.8
122.02905	1.2
122.03737	14.7
123.00869	0.8
124.01637	0.9
135.04521	16.1
136.01648	5.0
136.05263	1.7
139.69621	0.6
149.06075	3.4
158.03766	0.7
159.04544	4.3
160.05266	0.7
161.06111	0.6
163.04077	2.9
163.07687	0.6
172.05267	0.9
173.02379	0.6
173.06035	1.7
174.06769	1.2
175.07646	0.7
176.04904	3.0
177.09210	2.5
187.03996	11.8
187.07626	1.5
188.04764	0.6
188.08420	2.5
189.05574	3.2
191.07082	0.9
191.10828	2.1
201.05582	2.3
201.09221	6.3
202.06364	7.5
202.09515	0.8
203.07059	0.9
205.12299	1.2
208.03633	1.4
215.07120	1.1
215.10843	1.8
216.07855	3.7
217.08669	0.8
219.13887	1.7
229.08687	6.4
230.09045	0.7
243.10277	1.4
243.13846	1.0
247.09756	1.9
248.06854	0.7
271.13391	1.0
273.15094	0.8
275.20178	1.1
285.15073	1.1
297.18799	0.7
299.16425	1.1
311.20059	0.7
325.22052	0.7
337.15878	0.6
339.23251	3.2
340.23749	0.9
341.24820	68.4
342.25165	8.5
356.23691	0.8
368.23474	1.2
378.25845	0.8
381.24225	0.8
381.28500	0.7
382.25018	3.8
383.29718	1.0
391.26575	0.7
395.25851	10.1
396.26370	1.9
406.25070	2.1
407.29572	8.7
408.30051	0.8
409.27557	4.0
409.88287	0.7
410.28143	1.7
421.31104	1.4
424.26395	2.3
435.29028	29.4
436.29382	4.1
453.30099	100.0
454.30420	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	453.3009
Annotation	23-Deoxyantheridiol
Peak:m/z	Relative Intensity
58.50536	0.4
67.12254	0.4
71.01383	0.4
71.05013	0.8
82.52568	0.3
88.69582	0.4
108.02160	0.7
109.02894	0.4
113.08972	0.4
114.80280	0.4
121.02946	0.7
122.03741	13.9
123.00867	0.5
124.01635	0.9
131.05003	0.9
134.03738	0.4
135.04532	13.3
136.01680	4.1
136.05283	1.2
137.02399	0.7
138.03259	0.4
148.05313	0.9
149.06105	2.8
150.03172	0.9
159.04552	4.2
160.05333	0.5
161.06053	0.7
162.06786	0.4
163.04019	2.2
163.07637	0.6
172.05280	0.9
173.02412	0.5
173.06131	2.1
174.03174	0.4
174.06813	1.3
176.04808	3.1
177.05521	0.9
177.09184	1.2
182.02196	0.4
187.04015	12.1
187.07620	1.8
188.04585	0.8
188.08377	3.1
189.05577	2.9
190.06017	0.6
191.07175	0.5
191.10779	1.1
192.11314	0.4
201.05495	1.9
201.09209	4.8
202.06335	6.6
202.09419	0.5
203.06976	0.9
203.10771	0.8
205.08611	0.4
205.12288	1.1
208.03780	0.9
214.06490	0.5
215.07057	1.2
215.10767	0.8
216.07870	4.6
217.08528	0.4
218.05910	0.5
219.10324	0.5
219.13911	0.9
220.07253	0.4
229.08675	4.6
230.09114	0.6
231.10257	1.2
232.10446	0.4
243.10222	1.2
243.13928	0.8
245.11836	0.4
247.09779	0.9
248.06786	0.7
257.15472	1.2
259.13327	0.6
271.13464	0.5
285.15045	0.4
285.18588	0.6
299.16577	0.7
311.20282	1.1
325.21741	1.1
327.19388	0.6
339.23209	3.1
341.24832	64.0
342.25162	9.0
353.24988	0.7
355.22736	0.7
367.26495	0.6
368.23560	1.3
378.25903	0.8
379.26453	0.6
381.24377	1.2
381.56339	0.4
382.25113	4.2
383.25528	0.9
391.26395	1.3
395.25885	9.3
396.26285	1.5
405.28204	1.0
406.24985	2.6
407.24667	0.8
407.29605	9.2
408.29724	1.6
409.27267	3.9
409.31564	0.5
410.28040	1.7
411.28772	0.4
417.27966	0.5
419.25992	0.8
424.25986	1.4
435.28973	19.2
436.29382	4.3
453.30087	100.0
454.30405	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	453.2129
Annotation	[3aR-[3aalpha,5(S*),7aalpha]]-5-[4-[(6-O-acetyl-beta-D-glucopyranosyl)oxy]-1-methylbutyl]-3a,4,7,7a-tetrahydro-6-methyl-3-methylene-2(3H)-benzofuranone
Peak:m/z	Relative Intensity
59.01379	100.0
60.01711	0.6
61.98840	1.1
67.91899	0.4
69.19285	4.7
71.01397	1.0
73.02969	1.1
83.01383	0.5
83.47430	0.5
93.44415	0.4
96.39311	0.4
101.02481	1.4
102.92168	0.4
109.23208	0.5
113.02513	0.4
125.02464	1.5
134.17273	0.5
168.00565	0.6
169.01407	2.1
212.70819	0.4
220.56245	0.4
247.02322	0.6
273.43808	0.4
434.70801	0.5
453.21484	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	453.3009
Annotation	Ilekudinol A
Peak:m/z	Relative Intensity
57.03411	0.6
59.12042	0.5
70.62621	0.5
71.01394	0.9
71.05021	2.1
92.39162	0.5
95.05017	0.5
98.20754	1.3
99.04472	1.2
114.07835	0.5
121.02937	1.0
122.03745	9.6
125.02374	0.6
135.04530	8.3
136.01653	2.8
136.05350	2.5
145.02969	0.8
146.03716	1.4
147.04507	2.9
148.05333	0.6
149.06059	3.7
149.71677	0.6
159.04495	4.3
161.02429	4.0
161.06065	1.6
162.03247	5.2
163.04010	4.4
163.07722	0.5
164.04573	0.6
172.05251	0.7
173.06055	2.0
174.03142	0.7
174.06908	0.5
175.03949	3.5
176.04768	9.2
177.05583	3.5
187.03998	3.9
187.07562	0.9
188.08379	0.6
189.05656	1.1
191.07240	0.6
191.10846	1.3
201.05563	1.1
201.09111	0.9
202.06439	0.8
205.12355	1.2
209.57599	0.5
216.07915	1.2
217.12250	0.6
229.08755	1.1
245.11937	0.5
339.23386	1.9
341.24823	23.1
342.25296	3.2
346.48196	0.5
353.24850	1.1
355.26321	0.5
367.26376	0.7
380.23672	0.8
381.24329	2.0
382.25171	4.3
383.25427	0.7
395.25888	8.4
396.26163	1.5
407.29556	1.9
424.26227	0.6
435.28970	2.3
453.30078	100.0
454.30399	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	453.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83038	0.8
55.01850	1.1
55.31108	0.8
57.03456	1.1
58.00603	2.7
59.01380	83.9
61.98838	2.2
64.25603	0.8
68.28251	0.9
69.03461	1.8
69.54749	3.2
69.55167	2.4
71.01383	26.7
72.99309	3.7
73.02949	13.8
83.01385	4.4
85.02949	9.5
87.00861	5.0
87.04511	1.9
89.02444	28.9
95.01408	3.7
97.02947	3.3
98.19902	1.8
99.00847	1.2
101.02445	38.0
101.03111	2.0
103.04021	11.4
107.01392	30.5
108.02185	4.2
108.56345	0.9
109.02972	4.5
113.02473	9.8
114.05616	1.5
115.03994	3.1
119.03506	9.7
119.05039	1.7
123.00882	6.7
124.01666	2.6
125.02449	72.9
125.63768	0.9
126.02789	3.1
131.03506	9.3
137.02428	2.8
138.55405	0.9
143.03525	7.8
145.02948	4.0
145.05081	4.6
147.04530	2.1
151.00334	1.6
152.01173	3.8
153.01949	2.1
159.04507	2.3
161.02426	3.3
161.04561	2.8
163.04071	2.0
163.06125	48.6
164.06499	2.6
165.01868	1.6
166.99855	1.4
168.00609	2.7
169.01424	100.0
170.01735	5.4
173.02472	3.6
175.03992	4.5
177.01930	1.9
179.05608	4.9
185.02432	2.2
189.01952	3.9
190.02681	1.8
191.03490	4.3
201.01880	3.1
203.03516	5.2
204.03862	1.1
205.05235	1.6
205.07161	14.2
206.07440	0.9
217.01328	4.8
218.02036	1.4
219.02997	2.8
221.04480	1.0
229.01395	4.0
231.02959	3.6
245.00917	6.6
246.01601	2.2
247.02496	16.9
247.11833	1.9
248.02858	2.3
249.04012	3.1
257.00882	5.8
261.13458	8.0
265.09241	4.7
270.98819	1.1
273.00439	15.1
274.00894	2.7
275.01987	14.1
289.07123	2.0
290.00589	1.5
291.01456	3.8
293.03033	1.8
299.99005	1.7
300.99890	44.5
301.05099	5.0
302.00259	4.1
393.17630	23.3
394.17691	2.4
415.12424	2.0
435.22260	2.0
438.53983	1.1
453.10516	4.9
453.23407	9.4
454.04559	3.9
454.13794	4.4
464.16028	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
57.18280	0.9
58.00590	1.6
59.01379	32.8
61.98827	5.3
67.01890	1.1
69.03448	1.8
71.01385	14.3
71.22592	1.8
72.99315	1.3
73.02938	5.8
75.00879	0.9
79.01919	1.0
81.03456	3.1
81.68043	0.9
83.01389	4.1
85.02967	6.6
87.00842	1.8
89.02447	13.5
93.03440	3.3
95.01382	4.7
95.05035	0.9
97.02940	3.3
99.00863	1.3
101.02441	15.9
103.04012	4.5
105.03487	1.2
107.01395	17.5
107.05046	1.0
108.02177	86.9
109.02952	50.8
109.03568	0.9
111.00938	1.0
113.02453	5.1
114.05609	25.7
114.06406	1.3
114.31316	0.9
117.03447	1.3
119.03477	4.2
119.05014	2.7
121.02924	2.8
123.00880	7.6
123.04521	4.5
124.01685	2.7
125.02450	51.2
126.02759	2.4
131.03474	1.4
133.02904	1.0
135.00841	1.1
135.04515	1.5
136.01451	1.1
137.02446	7.0
137.32941	0.9
138.02739	1.1
138.05670	1.1
139.00372	1.2
139.02974	1.8
139.04001	4.8
143.03456	2.2
145.02969	2.7
145.05042	1.7
147.04547	1.7
149.02428	1.3
151.00375	1.9
151.04007	3.7
152.01155	70.5
153.01933	34.0
156.06647	13.2
159.04552	2.3
161.02409	4.2
161.04543	1.8
161.05972	1.2
163.03978	3.7
163.06110	13.8
164.01126	1.5
165.01894	3.0
166.99812	1.3
168.00620	2.3
169.01425	73.8
170.01741	3.4
173.02394	3.4
175.03998	2.1
177.01912	2.0
179.03487	2.2
179.05652	2.2
187.03987	1.5
189.01930	4.0
190.02670	1.3
191.01921	1.1
191.03508	5.4
201.01903	2.1
203.03439	3.3
203.07115	3.3
205.01328	0.9
205.05028	2.8
205.07137	3.6
217.01431	6.6
218.01883	0.9
219.02975	3.8
221.04530	1.6
229.01285	1.7
231.02974	4.8
245.00829	8.1
245.08177	1.9
246.01663	2.6
247.02464	46.6
247.11806	7.4
248.02742	3.4
249.03981	2.2
257.00815	3.5
273.00403	17.2
274.00708	1.4
275.01978	12.1
277.36365	0.9
289.07144	13.8
289.49658	0.9
291.01459	15.5
293.03104	1.2
297.06107	2.1
299.99042	1.7
300.96695	1.8
300.99887	26.5
301.05264	1.4
302.00232	2.9
313.05524	2.7
315.08606	3.3
393.04407	1.4
393.17599	15.9
394.17929	1.5
409.07913	1.8
415.12247	1.6
453.10580	16.8
453.23553	1.5
454.04669	3.7
454.13556	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	453.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
58.00604	1.0
59.01380	100.0
60.01714	1.0
61.98830	1.9
63.61367	0.7
69.58189	4.6
71.01380	33.2
71.66652	0.8
72.01710	0.8
72.99296	1.9
73.02945	3.1
83.01380	1.5
85.02946	5.1
87.00874	1.3
89.02443	63.9
90.02777	1.1
95.01383	1.0
98.19926	1.5
98.68777	0.9
99.00884	2.7
99.61926	0.8
101.02437	21.4
113.02454	13.0
116.10382	0.8
119.03507	15.0
125.02434	2.0
125.35928	0.7
131.03500	40.7
132.03780	1.4
143.03526	3.5
147.00758	0.8
149.04559	22.7
161.04570	4.9
161.21605	0.8
162.13657	0.9
169.01399	2.7
179.05617	19.2
179.07187	1.0
191.05605	14.2
207.28918	0.8
221.06635	1.4
247.02348	1.4
251.07790	1.9
261.13452	8.3
300.99741	0.9
393.17636	7.9
426.52826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03440	1.1
59.01381	10.5
61.98830	1.8
65.00330	2.8
67.01887	2.5
68.99823	2.6
69.03451	3.9
69.29943	7.5
69.30254	0.9
71.01386	7.0
72.99306	2.6
73.02943	2.0
78.01142	1.1
83.01403	3.1
83.05015	1.7
85.02937	1.1
87.00848	1.5
87.04486	1.2
87.47860	1.0
89.02437	1.3
93.03437	1.1
93.38358	0.9
95.01388	2.5
96.99297	1.4
97.02922	1.5
97.06557	1.1
98.19953	2.2
99.00879	2.3
101.02451	3.1
103.04006	7.5
106.00599	2.2
107.01373	2.3
108.02166	1.1
109.02921	1.3
110.00076	3.3
111.00880	21.2
121.02937	2.2
123.00890	13.5
124.01684	8.0
124.06316	0.9
125.02452	18.8
127.00353	8.2
136.98807	13.6
137.02414	2.2
139.00374	21.9
140.01161	29.4
141.01968	1.7
149.02507	1.0
151.00378	9.6
151.08380	1.1
154.99896	2.3
162.03192	1.7
163.11198	0.9
165.12920	1.2
166.99837	3.9
168.00639	39.5
169.01411	10.8
170.01910	1.1
170.33229	0.9
171.28342	0.9
185.00893	2.4
191.03467	0.9
192.04234	1.9
201.28642	1.0
209.11810	19.0
225.03983	1.2
227.12965	1.2
247.02422	1.9
247.13243	1.3
273.11383	2.9
273.14413	1.1
290.15250	1.3
291.12793	1.0
291.15991	3.1
299.12973	4.9
317.10513	1.7
317.13904	8.8
335.15244	2.2
361.12869	8.4
362.13120	1.4
379.13980	3.3
391.17520	1.2
409.14490	1.6
409.19119	1.8
453.17615	100.0
454.17938	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	453.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
57.03440	1.1
59.01381	10.5
61.98830	1.8
65.00330	2.8
67.01887	2.5
68.99823	2.6
69.03451	3.9
69.29943	7.5
69.30254	0.9
71.01386	7.0
72.99306	2.6
73.02943	2.0
78.01142	1.1
83.01403	3.1
83.05015	1.7
85.02937	1.1
87.00848	1.5
87.04486	1.2
87.47860	1.0
89.02437	1.3
93.03437	1.1
93.38358	0.9
95.01388	2.5
96.99297	1.4
97.02922	1.5
97.06557	1.1
98.19953	2.2
99.00879	2.3
101.02451	3.1
103.04006	7.5
106.00599	2.2
107.01373	2.3
108.02166	1.1
109.02921	1.3
110.00076	3.3
111.00880	21.2
121.02937	2.2
123.00890	13.5
124.01684	8.0
124.06316	0.9
125.02452	18.8
127.00353	8.2
136.98807	13.6
137.02414	2.2
139.00374	21.9
140.01161	29.4
141.01968	1.7
149.02507	1.0
151.00378	9.6
151.08380	1.1
154.99896	2.3
162.03192	1.7
163.11198	0.9
165.12920	1.2
166.99837	3.9
168.00639	39.5
169.01411	10.8
170.01910	1.1
170.33229	0.9
171.28342	0.9
185.00893	2.4
191.03467	0.9
192.04234	1.9
201.28642	1.0
209.11810	19.0
225.03983	1.2
227.12965	1.2
247.02422	1.9
247.13243	1.3
273.11383	2.9
273.14413	1.1
290.15250	1.3
291.12793	1.0
291.15991	3.1
299.12973	4.9
317.10513	1.7
317.13904	8.8
335.15244	2.2
361.12869	8.4
362.13120	1.4
379.13980	3.3
391.17520	1.2
409.14490	1.6
409.19119	1.8
453.17615	100.0
454.17938	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	453.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21840	0.5
59.01392	3.9
60.01727	0.7
61.01818	0.6
61.98833	9.6
63.55692	0.6
67.01893	1.2
69.03456	1.6
69.98891	2.2
69.99302	1.3
71.01389	4.4
72.99312	0.7
73.02957	0.6
79.01883	1.7
81.03426	0.6
81.10126	0.6
83.01389	1.5
85.02953	2.2
87.00884	0.9
93.03468	1.7
95.01369	2.0
97.02946	1.2
98.19972	0.7
101.02438	1.7
107.01400	10.0
109.02968	1.2
110.00000	0.7
111.00890	3.7
113.02438	1.7
123.00889	18.2
124.01675	28.5
125.02458	41.4
126.02770	1.4
127.00364	1.2
131.78558	0.6
136.98810	2.2
137.02428	1.5
138.03247	1.4
139.00363	6.2
139.04024	9.1
140.01190	4.9
141.01901	1.7
149.02420	0.8
151.00380	6.7
153.01953	1.3
161.04570	0.6
163.04021	1.0
166.34602	0.6
166.99861	1.0
168.00665	6.2
169.01436	47.3
170.01765	2.3
179.03503	1.0
183.02982	7.1
211.02487	1.0
217.01411	0.6
225.04121	1.0
247.02367	3.0
273.00388	0.7
275.02161	0.8
285.06189	1.9
297.06177	1.7
300.99893	3.7
313.05725	8.1
314.06076	1.2
327.07147	2.8
453.10400	100.0
454.10620	11.9
471.17245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2781
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
56.22145	0.3
60.63705	0.2
61.98830	1.4
73.62901	0.3
78.95901	18.6
84.16068	0.3
84.38785	0.3
98.20645	0.8
99.04659	0.2
122.00137	0.8
122.98598	0.3
139.28394	0.3
140.01183	5.0
152.99612	1.6
183.47891	0.2
196.03783	10.2
196.05602	0.5
214.04877	2.0
229.29584	0.4
237.22076	0.2
255.23283	100.0
256.23636	8.9
256.26389	0.5
452.27798	22.9
453.28116	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	453.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55791	0.2
71.13506	0.3
71.13828	0.4
84.44760	0.3
85.73306	0.3
106.04282	0.4
123.00894	0.3
125.02434	1.4
133.02986	0.3
145.02982	0.6
147.04535	0.8
162.03229	0.5
163.04016	0.5
169.01454	3.0
173.02461	1.1
175.03996	1.0
189.01944	0.8
190.02730	6.1
191.03520	4.6
201.02071	0.4
203.03528	0.7
217.01433	5.5
218.02182	5.2
219.02989	2.8
224.26834	0.3
229.01485	0.4
236.29875	0.2
245.00798	0.3
246.01686	18.2
247.02463	100.0
248.02814	7.0
273.00360	0.8
275.01981	0.3
277.95657	0.3
291.01593	0.5
300.99921	0.8
349.65259	0.3
409.07782	13.1
410.07880	1.1
422.38452	0.3
453.06619	17.5
454.06812	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	453.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
66.15967	0.5
71.28016	1.2
106.04287	0.7
111.45557	0.5
119.05038	1.0
123.00919	0.7
125.02474	1.6
145.02956	0.7
147.04501	1.4
147.82729	0.5
150.25047	0.5
163.04016	0.6
169.01442	2.0
173.02429	2.0
175.03979	3.1
189.01938	1.7
190.02708	14.3
191.03519	5.3
192.03798	0.5
201.01816	0.7
203.03510	3.4
217.01408	14.8
218.02171	16.4
219.02901	3.9
221.04579	0.7
245.00790	1.1
246.01686	57.6
247.02454	100.0
248.02792	7.0
278.00793	0.7
290.00879	0.7
291.01407	0.9
394.66351	0.6
409.07742	58.7
410.08081	6.1
438.91412	0.6
450.89328	0.6
453.06622	33.3
454.07172	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	452.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72173	1.6
61.98830	64.9
71.50420	2.6
78.95905	100.0
96.96964	7.2
133.26801	1.4
152.99603	15.0
171.00658	19.5
191.86406	1.7
196.03802	3.0
203.54790	1.9
220.20984	1.8
240.36407	1.5
255.23253	21.1
303.16306	1.9
452.27835	57.6
453.28156	5.8
461.37509	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	452.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02927	1.3
56.50013	1.3
61.98830	100.0
70.51504	4.3
78.95907	9.9
92.97156	1.4
94.34345	1.5
96.95935	1.9
138.51857	1.5
171.00624	2.0
203.22224	1.5
237.81874	1.5
255.23184	6.0
295.15994	1.6
328.44757	1.5
332.17252	1.5
345.54614	1.6
422.14722	1.5
452.27774	5.8
461.40494	1.4
464.67938	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	452.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.0
61.98831	100.0
69.03453	0.4
70.89285	0.4
71.01395	0.8
81.03457	2.0
82.03809	0.5
83.05021	5.1
84.05382	0.8
85.02956	0.6
93.03470	1.9
94.03806	0.6
96.42986	0.4
97.02943	0.4
101.02441	0.8
107.01399	0.7
123.00896	1.9
124.01696	3.9
125.02498	7.6
126.02798	3.2
137.02448	3.4
138.02762	1.3
138.05582	1.0
149.99582	6.1
150.99922	2.7
168.00638	10.6
169.01094	6.0
170.01047	0.4
176.90041	0.5
208.15318	0.5
224.17639	0.6
225.15981	1.1
226.16422	1.2
281.06549	0.6
282.07010	1.2
313.05603	0.8
314.05957	0.7
319.91376	0.4
325.45618	0.5
331.06741	0.7
332.06995	1.3
334.23172	0.6
368.27005	0.5
434.08148	0.6
434.31961	0.9
451.32687	1.8
452.09039	25.8
452.33237	23.2
452.38803	0.4
453.09268	2.6
453.33502	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62287	0.4
57.05151	0.5
59.01381	15.7
60.01716	1.9
61.98830	100.0
69.42043	2.5
69.42454	0.6
71.01385	1.7
75.50307	0.5
76.10423	0.4
83.01383	0.7
85.02962	0.5
89.02448	1.2
90.02829	0.5
91.82938	0.6
93.03436	0.5
98.98219	0.4
99.09657	0.5
101.02473	1.4
107.01418	2.1
113.02444	0.6
123.00880	1.1
125.02451	5.4
126.02801	0.7
131.03534	0.7
151.00394	1.1
152.00916	0.7
153.01959	0.6
163.05107	0.4
166.99879	0.4
169.01424	8.2
170.01833	1.1
191.05693	0.4
245.00906	0.6
247.02377	1.0
259.29459	0.4
270.04999	1.1
271.05222	0.6
272.05499	0.8
273.00317	0.6
297.21973	0.5
300.99869	3.4
314.05923	0.5
328.29492	0.4
329.18741	0.4
392.23328	2.8
452.12265	4.3
453.13519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23850	1.1
54.90218	1.0
59.01379	12.5
61.01464	1.0
61.98834	10.3
65.00287	1.1
65.00803	1.0
65.03938	1.0
71.01396	6.7
71.50733	1.5
73.02951	2.2
79.01904	1.2
83.01386	3.0
84.84311	1.0
85.02938	3.4
88.61672	1.1
89.02438	5.5
91.01900	2.3
93.03484	2.8
95.01350	2.0
96.95986	3.8
101.02444	4.0
107.01376	5.9
109.02940	4.4
110.03356	1.5
111.00875	2.2
113.02448	2.5
119.05009	2.2
121.02962	2.0
123.00879	12.1
123.04543	9.0
124.01672	3.9
124.04881	3.4
125.02439	25.6
126.02767	3.5
129.58786	1.0
131.05074	1.2
133.02937	2.0
135.00874	7.3
135.04501	1.2
136.01222	3.8
137.02444	100.0
138.02776	44.7
139.00362	5.6
139.02971	2.3
139.03998	2.5
140.01115	2.2
142.77071	1.3
145.02904	3.0
147.04504	4.9
151.00362	11.1
151.04008	15.9
152.04344	8.0
153.01917	2.8
159.04507	4.8
161.02426	3.4
162.02946	1.4
163.04025	1.7
165.01932	1.1
166.99945	1.2
167.03455	1.3
168.00626	4.6
169.01407	31.9
170.01823	1.9
173.02444	3.2
174.03162	3.3
175.03989	14.1
189.01941	3.0
190.02696	5.1
191.03470	4.4
191.05443	2.5
192.05760	1.5
201.02008	1.2
202.02679	3.1
203.03485	56.3
211.02374	1.6
217.01385	6.8
218.02122	4.9
219.03094	2.2
221.04466	1.8
229.01460	1.5
245.00951	3.7
246.01672	19.5
247.02457	62.3
257.00903	1.1
261.00381	1.7
262.96460	1.5
270.95633	1.5
273.00366	3.8
276.02380	1.2
288.99716	1.9
289.06949	1.5
290.00433	5.0
290.07349	2.5
291.01468	6.1
300.99896	3.7
303.08618	1.2
313.05667	4.5
314.05896	3.0
365.08716	3.9
389.10873	80.9
390.11105	11.0
409.07721	22.5
435.09589	2.5
452.13437	6.0
453.05927	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19700	0.4
59.01379	100.0
60.01725	1.2
61.98832	9.4
61.99154	0.5
69.34837	1.5
69.35253	2.3
69.63549	0.4
71.01383	7.0
72.99326	0.7
73.02953	1.9
73.65997	0.5
74.18625	0.5
77.74900	0.4
83.01396	0.9
85.02945	3.5
87.00892	0.5
89.02445	4.6
95.01437	0.9
98.20595	0.9
99.00896	1.1
101.02441	6.8
113.02436	3.9
119.03516	2.6
119.05083	0.5
123.00890	1.1
125.02441	2.5
127.36456	0.4
136.61119	0.5
137.02473	1.4
143.03522	0.7
147.62325	0.5
151.00383	1.5
151.03935	0.5
152.00992	0.5
153.01869	1.1
159.03036	1.1
161.04556	5.5
169.01439	2.9
170.01816	0.7
199.84331	0.4
229.18211	0.7
271.05124	0.8
313.05600	0.6
349.91351	0.5
388.13300	7.6
389.13440	0.9
391.23346	26.3
392.23749	3.0
435.22491	1.1
451.12415	3.7
451.25629	1.4
452.12970	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.7
58.19046	1.0
59.01381	90.7
60.01696	1.6
61.98832	37.1
62.98530	1.3
63.99258	7.8
65.00315	1.7
68.52884	1.1
69.03452	1.8
71.01382	12.5
71.51187	1.8
72.99313	1.4
73.02947	9.2
75.39120	1.1
81.03458	1.7
83.01390	8.8
84.01697	1.4
85.02956	4.3
87.00886	1.6
89.02432	8.0
92.09275	1.0
93.03465	16.0
94.03783	1.2
95.01382	2.8
97.02930	2.3
101.02451	14.5
107.01409	7.1
107.50377	1.2
108.02235	1.9
109.02943	4.9
111.00904	2.1
113.02457	8.6
117.03436	1.7
117.97239	1.6
119.03519	2.3
121.02934	3.1
122.03331	1.5
123.00891	5.3
123.04454	1.4
124.01657	2.7
125.02454	100.0
126.02785	18.0
127.02919	9.4
131.03505	1.5
133.02928	1.3
135.98351	4.9
136.01659	1.7
137.02449	83.1
137.06033	1.4
138.02794	4.3
139.00383	1.5
140.01169	1.5
143.03484	2.0
149.02417	4.9
149.04539	2.8
150.02760	2.2
151.00362	15.0
152.00908	4.8
153.00798	3.6
153.01913	6.7
161.04556	4.8
163.00340	1.4
163.03867	1.8
165.01949	7.5
166.02266	4.3
167.02370	2.9
168.00639	5.3
169.01430	73.3
170.01752	1.4
173.05998	1.6
174.06407	2.3
176.01180	1.4
177.05643	1.3
178.99821	5.0
179.03481	1.7
180.00206	3.2
180.03737	2.3
181.00427	2.1
181.04019	2.1
199.03934	1.4
202.05803	1.3
211.02493	1.9
214.13217	1.3
217.01457	1.4
243.06429	1.9
244.06879	1.6
245.00894	7.7
245.07094	1.2
259.02286	1.7
259.03125	1.5
259.06155	18.8
260.06427	20.9
261.06674	29.9
262.06992	1.4
269.04547	21.5
270.04907	14.3
271.05081	29.6
273.00473	8.1
274.01001	1.5
281.06482	1.5
287.02072	1.9
287.05597	10.1
288.05930	10.7
289.03055	2.1
289.06158	23.9
299.07660	13.4
300.08142	1.4
300.99786	3.1
313.05664	25.5
331.06708	12.8
344.06366	2.1
391.19543	2.1
407.09692	2.3
423.11972	1.6
433.10370	1.5
436.05936	1.3
451.09344	42.5
451.21274	7.0
452.09406	4.4
452.11588	3.9
452.22128	1.4
454.39941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.6
70.88143	2.2
71.01402	0.7
79.23722	0.7
91.01884	1.9
93.03457	3.3
95.01397	0.9
95.05034	0.7
96.95998	0.9
107.01411	1.2
109.02978	3.8
113.02441	1.1
121.02950	2.4
122.03745	3.4
123.00912	1.7
123.04527	19.6
124.04861	1.2
125.02488	4.0
126.02791	0.8
132.37292	1.0
135.00899	7.5
137.02443	100.0
138.02789	3.1
151.04005	68.8
152.04347	2.6
153.01877	1.3
160.04037	1.5
161.02451	1.8
169.01443	6.2
189.01907	1.5
191.05618	2.2
216.39925	0.9
217.01277	0.8
252.54747	0.7
261.00464	1.6
275.01974	1.0
288.99939	2.5
299.07736	2.8
313.05704	3.4
451.08728	2.8
451.13757	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	451.1245
Annotation	6'-O-Galloylsalidroside
Peak:m/z	Relative Intensity
57.03435	0.7
59.01381	17.3
61.13967	0.5
61.98827	2.0
65.03957	0.6
67.01886	1.2
67.11247	0.5
69.03469	1.0
69.55774	3.1
70.30881	0.5
71.01384	9.3
71.57819	0.5
72.99328	1.0
73.02955	2.5
79.01919	1.7
81.03462	0.8
83.01398	2.2
83.05057	0.7
85.02950	3.1
87.00880	1.1
89.02441	3.9
93.03473	2.2
94.49016	0.5
95.01386	2.6
97.02969	2.2
98.20628	1.1
99.00893	1.2
101.02452	5.6
106.04252	1.3
107.01389	10.4
108.02203	1.8
109.02940	3.1
111.00893	2.3
113.02439	3.6
115.04035	0.7
119.03487	0.6
119.05015	3.0
121.02987	1.6
121.36857	0.5
123.00888	17.7
123.04616	0.7
124.01708	2.1
125.02452	54.1
126.02809	1.9
127.00388	0.9
131.03499	0.7
131.07246	0.5
135.00925	0.5
136.98827	0.9
137.02455	10.0
137.06087	29.6
138.06465	1.1
139.00380	5.9
140.01164	3.7
141.01970	2.6
143.83505	0.6
145.05098	0.9
149.02594	0.6
151.00375	12.7
152.01111	1.2
153.01982	2.2
159.48529	0.5
161.02504	0.8
161.04611	1.4
161.76720	0.5
163.03975	0.6
165.02000	1.0
166.02750	0.7
168.00639	4.0
169.01430	69.8
170.01776	3.5
179.03456	0.9
211.02499	1.1
231.11432	1.5
245.01106	0.7
253.03404	0.9
271.10834	0.7
271.15552	1.5
289.00153	0.9
289.06473	0.6
300.99988	2.1
313.05640	20.6
314.06091	1.6
391.19522	0.8
415.12711	0.6
433.21207	0.8
451.12631	100.0
451.22409	6.0
452.12967	14.1
452.22491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1244
Annotation	Catechin 3'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.78167	0.5
59.01393	4.5
61.98821	2.0
65.72063	0.6
70.98604	1.4
71.01393	2.3
78.40010	0.6
78.95914	0.9
83.01413	0.7
85.02958	1.0
87.00894	1.1
89.02444	1.2
91.01897	2.3
93.03464	4.4
95.01385	0.9
96.96001	1.2
96.96893	0.7
101.02429	0.9
107.01426	1.5
107.12993	0.7
108.02210	0.6
109.02947	4.7
113.02493	0.7
120.99712	0.7
121.02969	1.5
122.03735	3.1
123.00895	2.1
123.04519	14.5
125.02444	12.2
126.02761	0.8
133.02887	0.7
134.99178	0.7
135.00897	8.1
137.02443	100.0
138.02782	2.7
139.00398	1.0
140.53249	0.8
145.02983	0.6
149.02472	1.0
149.20593	0.6
150.03188	0.7
151.00430	1.6
151.04005	46.2
152.04317	3.0
153.01926	1.5
161.02466	2.1
163.04047	1.3
167.03513	0.9
168.00633	1.0
169.01414	14.1
170.01825	1.1
179.03513	1.7
189.01895	1.2
191.03578	0.9
191.05617	2.1
217.01434	1.1
245.01010	1.0
261.00388	1.8
271.06100	0.8
275.01959	2.8
288.99890	1.4
289.07092	1.9
299.07697	2.0
300.99796	1.1
313.05722	8.9
313.09061	1.2
314.05936	1.1
410.87665	0.6
451.08627	6.9
451.14636	4.1
452.08810	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05940	0.2
55.01879	0.2
57.03445	0.5
59.01384	6.0
59.22348	0.2
61.98830	1.1
65.00351	0.4
65.03960	0.9
67.01904	1.0
68.99839	0.3
69.03452	0.9
71.01386	5.6
71.01776	0.3
71.51125	0.3
71.51466	0.2
72.01743	0.2
72.99325	0.5
73.02947	0.9
79.01907	0.7
81.03468	0.5
83.01395	1.2
85.02965	2.0
87.00911	0.6
89.02445	1.2
91.01902	5.0
92.02221	0.2
93.03471	5.2
95.01395	1.6
96.96026	0.7
97.02956	0.9
99.00920	0.3
101.02454	2.6
107.01398	9.5
108.02251	0.3
109.02962	7.7
110.03277	0.3
111.00879	1.7
113.02453	1.5
117.03545	0.2
119.03482	0.2
119.05050	0.4
120.99712	0.2
121.02970	0.8
123.00893	7.9
123.04556	0.5
124.01720	1.1
125.02456	55.8
126.02783	2.6
127.00375	0.7
133.02971	0.4
135.00897	14.8
135.04475	0.3
136.01234	0.4
137.02454	100.0
138.02788	3.9
139.00374	3.1
139.04021	0.5
140.01178	1.8
141.01935	1.1
143.03484	0.3
143.07104	0.3
145.03072	0.2
147.04541	0.3
149.02455	0.9
151.00378	7.1
151.03995	0.8
152.01053	0.8
153.01949	4.8
154.02287	0.3
154.99841	0.2
155.70746	0.2
161.02434	0.6
161.04564	0.3
163.04045	0.4
164.01146	0.5
165.01958	0.4
166.99844	0.2
167.03487	0.8
168.00662	2.8
169.01433	72.4
170.01761	2.8
179.03508	2.0
181.01506	0.3
181.05127	0.2
183.02907	0.2
189.01952	0.4
191.03467	0.4
191.05603	0.2
193.01416	0.6
195.02971	0.3
201.01923	0.2
201.05742	0.2
209.04478	0.2
211.02509	3.2
217.01346	0.3
221.04445	0.3
223.02449	0.8
227.07158	0.4
241.03523	1.6
243.06636	0.6
244.03775	0.6
245.08281	0.2
247.02327	0.2
253.03537	0.6
259.06180	0.5
261.00330	0.3
261.06668	0.2
271.04483	1.5
271.15421	0.5
275.01736	0.3
289.00070	0.5
289.07208	1.4
292.28162	0.2
295.04834	0.2
299.07513	0.2
300.99869	0.4
313.05655	76.1
314.05997	4.8
335.02054	0.2
385.43451	0.2
407.09845	0.4
415.12427	0.5
449.13333	0.2
451.08716	65.0
451.21637	2.6
452.09018	8.2
452.22113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.8
59.65427	1.2
61.98838	10.9
66.73903	1.0
69.03449	2.6
69.46400	5.2
69.53914	0.9
71.01377	1.6
74.56247	0.8
81.03456	4.0
83.01352	1.0
83.05033	7.7
85.02946	1.0
93.03461	9.9
95.01384	1.6
97.02971	1.7
101.02440	2.4
107.01422	1.5
120.40231	1.0
123.00902	8.3
124.01687	24.1
125.02465	42.4
137.02455	18.3
149.99596	38.7
151.00314	3.5
167.03491	1.6
168.00652	61.8
169.01425	5.4
224.17787	2.1
225.16086	3.6
281.06693	5.6
313.05573	4.9
331.06717	10.7
433.07568	2.7
433.31873	1.9
451.08820	100.0
451.32901	35.9
451.39023	2.0
452.09039	10.4
452.32907	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	450.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
61.98830	100.0
69.82165	0.9
71.21383	2.1
78.95903	1.7
117.69021	1.1
118.96603	1.2
130.43616	1.2
253.21729	2.8
262.73795	1.0
339.29230	1.1
388.43750	1.1
415.05527	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	451.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91358	0.5
56.92739	0.5
59.01373	7.1
61.67833	0.5
61.98830	33.4
64.37645	0.5
67.01884	0.9
69.03482	0.6
69.43819	3.5
69.44170	0.4
71.01383	7.3
73.02945	1.5
79.01879	0.7
83.01384	0.8
85.02959	1.4
89.02440	1.4
93.03457	56.5
94.03805	2.1
95.01381	1.8
97.02978	0.8
98.19797	0.6
99.00858	0.7
99.76262	0.5
101.02438	3.1
107.01393	8.7
107.05041	1.1
108.04605	0.7
109.02958	1.7
111.00896	1.4
113.02433	2.7
123.00871	9.6
123.04491	0.5
124.01700	1.5
125.02448	48.4
126.02767	1.7
135.04555	0.8
136.01642	0.9
137.02444	100.0
138.02780	3.6
138.95055	0.6
139.00362	4.2
140.01155	1.6
141.01942	0.7
151.00351	7.8
151.03999	1.0
153.01907	1.8
161.04559	1.5
168.00627	2.8
169.01419	69.6
170.01794	2.7
179.03491	2.1
193.01320	0.8
211.02432	3.0
239.05479	1.2
241.03629	2.7
253.03490	1.0
270.29153	0.5
271.04596	1.5
299.07709	7.1
299.90469	0.5
300.08142	0.6
313.05634	72.0
314.05960	5.9
314.61469	0.5
407.09787	10.0
408.09949	1.3
451.08762	52.3
452.08981	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	450.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.9
61.98832	100.0
62.98536	0.8
63.99261	3.9
69.42500	4.4
71.01379	3.8
71.55690	0.8
72.14403	0.7
73.02931	0.9
83.01392	1.7
85.02959	1.7
89.02454	2.5
93.03456	4.2
94.03776	1.4
95.01386	0.9
101.02469	2.8
107.01433	1.1
109.02973	0.7
113.02457	1.2
122.03739	3.6
123.00912	1.4
123.04542	2.3
124.04865	1.2
125.02452	9.6
126.02772	1.1
135.00958	0.8
136.01656	0.8
137.02446	10.3
138.02797	2.6
139.00452	1.1
149.04559	0.8
151.00380	5.6
161.04570	0.9
169.01387	6.2
193.01486	0.7
260.06311	1.1
270.04819	1.3
281.06735	2.8
282.07050	2.7
283.07111	0.7
288.05966	2.2
313.05679	2.2
387.13199	2.1
406.12228	9.4
450.11148	8.3
451.09100	5.8
465.07202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.0
61.98829	100.0
66.11416	0.4
69.61773	1.1
69.62207	1.1
71.01400	1.3
73.93874	0.3
77.29835	0.4
85.02924	0.5
93.03457	5.7
95.01435	0.3
98.19995	0.7
101.32677	0.3
107.01418	1.0
108.04562	0.8
108.84841	0.3
116.35543	0.4
117.16456	0.3
123.00896	1.2
125.02454	5.6
129.83174	0.4
137.02448	8.4
151.00401	1.1
168.00485	0.4
169.01416	7.9
179.03484	0.4
211.02368	0.4
217.61726	0.4
242.77731	0.3
257.92636	0.3
260.06451	0.5
265.74826	0.4
299.07800	0.8
313.05618	9.3
386.42419	0.5
407.09674	0.6
450.10590	1.8
451.08813	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	450.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01070	1.6
59.01379	57.5
61.98831	100.0
63.56994	1.1
69.25044	7.5
69.25458	2.8
71.01382	8.0
72.99310	1.4
73.02938	2.3
83.01399	2.7
85.02937	2.3
89.02435	3.0
95.03001	1.0
101.02443	7.5
107.01439	1.4
111.00849	2.3
113.02435	2.3
119.03501	1.2
123.00299	0.8
123.00920	9.2
124.01597	1.4
125.02444	11.0
135.38812	1.1
137.02466	1.4
138.35953	1.1
139.00349	4.0
140.01128	2.2
141.01860	1.5
147.44948	1.3
151.00371	6.7
153.01964	1.7
161.04518	4.0
168.00620	4.4
169.01439	11.6
287.05524	1.5
288.05939	1.5
313.05612	1.4
364.62378	1.2
387.12946	88.2
388.13260	7.0
391.23450	16.6
450.10995	4.7
451.12250	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	449.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03427	0.3
55.01873	1.3
57.03428	1.0
57.74686	0.3
58.00571	0.7
59.01380	16.3
60.01687	0.5
61.98825	0.7
62.14268	0.3
69.03452	0.4
71.01382	12.1
72.01717	0.5
72.99293	0.6
73.02944	3.6
81.03477	0.4
83.01376	2.1
84.02177	0.3
85.02945	5.5
86.00100	0.3
87.00894	1.8
89.02438	5.6
90.02793	0.5
91.02864	0.4
93.03462	0.4
95.01369	1.3
97.02953	0.3
99.00880	1.7
101.02444	7.7
102.02773	0.4
108.24171	0.3
110.98468	0.3
111.00874	1.1
113.02446	3.0
119.03512	1.2
121.64486	0.3
123.00864	0.5
125.02425	1.2
127.11281	0.7
131.03473	0.8
149.04556	0.8
151.05042	0.4
155.10823	0.3
161.04454	0.5
166.99788	0.4
168.00607	0.3
169.01369	0.5
182.02170	0.8
183.03003	3.5
191.05591	1.0
229.43188	0.4
252.81760	0.3
253.50595	0.3
269.21198	3.8
285.03867	0.5
285.20737	0.9
286.04138	0.4
287.22275	35.6
288.22614	3.2
297.09732	0.6
299.22266	0.4
301.02649	0.4
329.23190	0.5
431.26450	1.3
449.10773	1.6
449.27545	100.0
450.27902	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	449.2756
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
51.50542	0.3
55.01862	1.0
57.03429	1.2
58.00603	0.7
59.01380	14.9
61.01781	0.3
61.98833	0.6
69.03457	0.3
71.01380	11.8
71.05007	0.3
72.01685	0.4
72.99303	1.5
73.00234	0.2
73.02950	3.3
75.00885	0.4
83.01384	3.1
85.02954	5.0
86.00089	0.3
86.03265	0.4
87.00863	1.4
89.02441	4.6
90.02776	0.4
95.01369	0.6
96.45171	0.3
97.02962	0.4
97.83775	0.3
98.20672	0.7
99.00904	1.6
101.02440	7.2
111.00895	0.9
112.01654	0.5
113.02457	3.9
113.09695	0.5
119.03488	1.3
123.00879	0.3
124.01660	0.3
125.02422	1.4
127.11285	0.5
131.03416	0.5
137.02438	0.3
149.04495	0.6
161.04530	0.4
168.00638	0.4
169.01419	0.6
182.02217	1.0
183.02960	3.8
191.05623	1.0
207.20679	0.3
217.47313	0.3
224.95045	0.3
227.03621	0.3
241.21759	0.3
269.21219	3.7
270.21759	0.4
285.20712	0.8
287.22263	34.7
288.22595	3.6
297.09750	0.7
299.22089	0.4
301.02640	0.4
317.20065	0.4
329.23169	0.5
334.03207	0.3
431.26492	1.6
449.27539	100.0
450.27908	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	449.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03445	0.7
59.01379	100.0
60.01708	1.3
61.98824	2.0
71.01382	6.2
72.99287	0.3
73.02951	1.9
75.77696	0.3
76.96429	0.3
83.01405	0.6
85.02942	2.2
87.00864	0.3
89.02449	4.5
89.19830	0.4
95.01390	0.5
97.02961	0.3
98.19872	0.6
99.00886	0.5
99.11440	0.3
101.02447	4.7
107.01458	0.4
107.89562	0.3
113.02443	3.2
119.03489	1.9
120.99669	0.5
123.08176	0.4
125.02463	2.3
137.02470	0.5
139.07645	0.5
143.03545	0.5
148.31114	0.3
151.00429	0.7
155.10800	1.8
159.03053	0.4
161.04565	5.9
164.01176	0.4
166.01094	0.4
169.01434	0.6
178.99937	0.4
179.05659	0.9
194.75810	0.3
201.05540	0.4
204.64586	0.3
208.00237	0.8
223.02534	1.3
225.05597	0.5
227.16512	2.9
229.01628	0.4
259.06046	2.7
260.06375	0.3
269.04514	3.7
283.06204	0.4
287.05783	1.4
321.14941	0.3
347.17062	0.4
361.09698	0.5
389.21869	6.5
390.22482	0.7
433.21069	0.5
449.11069	1.6
449.19614	0.5
449.24835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89864	0.8
55.01865	1.0
57.03431	1.5
59.01381	100.0
60.01749	0.8
61.98836	5.4
66.38811	0.8
67.90818	0.8
69.30218	3.6
69.30644	3.2
71.01384	24.5
72.99279	1.6
73.02940	3.6
81.25784	0.8
83.01372	2.0
85.02962	5.3
86.16288	0.8
87.00845	1.2
89.02443	28.6
95.01403	2.0
99.00890	1.3
101.02444	17.9
102.56702	0.8
109.86150	0.8
113.02457	11.9
119.03508	11.6
131.03487	1.5
143.03481	2.5
145.13972	0.9
149.04489	1.1
159.02957	1.9
161.04562	15.2
179.05598	6.8
227.16557	4.1
287.05576	1.6
383.84802	0.8
387.12958	2.7
389.21802	39.2
390.22165	5.8
449.11011	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	449.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17005	0.3
57.02205	0.2
59.01375	1.9
61.98823	1.5
78.95901	51.8
83.56911	0.2
96.96955	6.0
100.83785	0.2
150.98033	1.4
151.00337	0.3
152.99579	100.0
153.99922	1.7
167.19923	0.3
171.00633	4.6
220.55952	0.2
226.43390	0.3
295.22696	0.9
449.23026	11.4
450.23245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76431	0.7
55.01897	1.2
57.03450	3.1
59.01379	100.0
60.01704	1.5
61.98830	26.4
62.98520	0.9
65.00326	1.4
65.03955	1.2
67.01889	1.2
69.03470	1.1
71.01383	17.8
72.99324	2.1
73.02937	3.9
83.01385	4.2
85.02955	6.9
86.03303	0.7
87.00883	2.0
89.02447	15.2
91.01898	3.3
93.03459	3.0
95.01405	2.0
97.02962	1.0
98.20659	1.7
99.00883	1.5
99.04473	0.8
101.02438	9.8
107.01391	3.8
107.05070	1.1
108.02177	1.6
109.02950	21.2
110.03284	0.8
111.00914	0.6
112.53295	0.8
113.02441	6.5
117.03427	0.8
119.03494	5.7
119.04861	0.7
121.02953	5.8
123.00883	3.7
123.04527	5.5
124.01657	1.7
125.01524	1.5
125.02449	31.8
126.02818	1.3
131.03523	0.9
134.03755	0.7
135.00897	11.1
135.04523	22.2
136.98972	0.8
137.02448	6.8
139.00375	1.0
139.04019	2.6
143.03477	2.2
148.95517	0.7
149.02431	13.0
149.04565	1.6
151.00352	7.8
151.04010	5.3
152.01170	2.2
153.01920	4.9
160.01692	1.7
161.02464	0.7
161.04570	6.1
163.00352	15.0
164.00720	0.9
165.01917	10.0
169.01422	9.7
169.06639	0.9
170.01805	0.7
173.06078	1.6
177.01921	1.4
177.05676	0.9
178.99875	3.8
179.03563	1.2
179.05605	3.9
193.29022	0.6
197.06065	1.4
198.98370	0.6
199.04126	1.4
201.05542	2.6
213.05510	0.8
215.07143	2.3
224.04781	1.0
225.05557	6.6
227.03461	1.1
239.37337	0.7
241.05113	2.6
243.06609	3.6
259.06100	37.1
260.06500	2.2
269.04535	37.8
269.13901	1.6
270.04794	3.2
283.06125	1.9
287.05609	49.0
287.18701	1.0
288.05884	4.5
313.05579	6.7
329.16046	1.6
331.66245	0.8
342.05792	1.0
347.17096	3.3
389.17838	9.6
389.22086	1.7
390.18274	1.0
421.11346	1.3
431.09781	2.1
449.10928	34.0
449.20200	4.7
449.24423	3.9
450.11075	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	449.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01717	1.1
63.13644	0.4
71.01377	2.6
71.27815	0.5
71.28130	0.5
73.02953	1.2
83.01394	0.5
85.03001	0.6
89.02470	1.6
101.02460	1.7
109.80350	0.4
113.02485	1.1
119.03531	0.8
125.02461	0.8
135.36742	0.4
161.04536	0.8
259.06177	0.9
287.05713	1.0
329.16068	1.0
345.64377	0.4
347.17184	3.7
389.18112	4.7
390.18835	0.8
424.07498	0.5
449.11783	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12818	0.4
59.01380	100.0
59.30802	0.4
60.01702	1.3
61.56262	0.4
69.60462	3.0
71.01391	1.9
73.02952	0.8
75.44338	0.5
82.80009	0.4
89.02473	1.9
98.20538	1.0
98.90597	0.6
101.02465	1.7
109.02948	4.3
113.02463	1.8
120.03252	0.5
121.03000	0.8
123.00852	0.6
123.04579	1.0
125.02491	1.1
135.00940	1.6
137.02487	0.7
137.72922	0.5
139.07367	0.5
149.02473	2.1
151.04080	0.6
153.00146	0.7
161.04610	0.5
163.00351	2.3
165.02016	1.2
184.01974	2.9
185.02811	0.8
199.04260	3.2
225.05769	0.8
259.06235	2.2
268.15866	0.6
269.02048	0.6
269.04507	2.9
287.05637	9.3
287.08582	0.8
288.05896	0.9
329.16153	0.9
347.17316	2.0
361.09766	1.4
389.18256	3.5
390.18518	0.7
392.49023	0.6
449.11545	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	449.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
58.00592	1.9
59.01378	100.0
60.01711	3.6
60.46124	0.9
61.01792	3.6
61.98836	9.0
63.02395	3.7
65.00319	5.0
67.39348	0.9
69.32970	4.8
69.33385	3.6
71.01382	16.8
72.99310	1.5
73.02945	2.2
75.60056	0.9
79.03596	0.9
82.98606	1.0
83.01385	3.6
85.02933	5.4
87.00890	2.0
89.02444	11.0
89.47780	1.0
93.03454	2.0
94.64457	0.9
95.01373	1.5
99.00873	1.3
99.04503	5.8
101.02435	9.8
107.01398	7.8
109.02973	1.0
111.00896	1.5
113.02429	5.5
119.03498	3.5
123.00906	1.2
124.01636	1.4
125.02466	5.2
133.02930	1.4
135.04507	12.1
137.02432	1.4
149.02408	1.3
151.00362	27.1
152.01169	7.5
159.02878	1.1
161.04524	4.3
163.03897	1.7
165.12936	2.2
169.01447	4.6
175.00394	1.1
178.99800	7.1
179.05542	1.9
191.05624	9.1
207.13893	5.4
209.11810	14.2
214.02740	1.2
225.14951	4.3
227.12964	1.0
238.97639	1.1
242.02185	3.3
251.12846	2.6
259.06122	1.5
269.04517	21.6
269.13922	63.2
270.05017	2.0
270.14279	5.7
273.00369	1.6
284.03204	5.4
285.03882	15.9
286.01108	1.0
286.04044	18.8
287.05045	25.0
288.05536	1.3
371.20633	1.1
389.21555	7.3
390.29987	1.1
449.10007	33.4
449.19913	28.4
450.10413	3.0
450.20313	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	449.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62058	0.9
57.03448	10.7
59.01376	4.4
61.98833	79.0
62.98519	1.2
63.02407	1.9
63.99258	1.2
65.00330	5.2
69.14684	6.1
69.15115	3.3
81.03463	3.8
83.01389	9.2
91.60037	0.9
93.03500	4.9
95.01366	1.4
97.02984	1.3
107.01410	6.4
107.05046	1.1
109.02955	3.5
117.03487	2.2
119.05119	1.2
121.02962	6.8
123.00868	1.2
123.04548	1.8
124.01648	2.2
125.02453	100.0
126.02782	3.0
131.05023	1.3
133.02982	1.9
135.04512	1.7
137.02448	3.0
139.00511	0.9
139.03990	2.1
147.00882	1.5
149.02460	8.9
150.84526	0.9
151.00374	27.0
152.01144	6.4
153.01941	9.3
159.04465	1.5
163.00346	1.7
165.01939	17.3
169.06572	1.4
171.04521	0.9
172.05301	2.3
173.06134	5.2
175.03981	1.2
176.01169	2.1
177.05595	2.6
178.99869	15.5
179.03488	5.6
181.06584	0.9
197.06096	2.0
199.03981	1.1
200.04750	1.4
201.05612	3.1
206.57036	0.9
213.05556	2.2
215.07156	4.7
216.07550	0.9
225.05505	5.2
241.05093	5.3
243.06688	6.1
243.08794	1.1
259.02124	1.2
259.06116	83.6
260.06485	7.0
269.04553	84.6
270.04932	7.1
277.21902	0.9
283.06076	2.2
287.05615	52.1
288.05972	3.2
311.05640	2.8
342.05887	2.7
421.11349	2.4
431.09998	2.5
449.10886	59.5
450.11130	6.4
455.12500	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.15
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01371	1.6
62.96410	22.4
78.95904	55.0
80.97467	30.7
99.83035	0.4
139.18779	0.4
149.00085	13.7
150.00449	0.5
169.36304	0.4
169.92850	0.4
175.93524	0.4
179.01161	1.0
205.15961	7.8
242.98257	5.7
269.47980	0.4
285.12598	1.3
323.32642	0.4
350.72076	0.4
355.10364	0.4
355.16803	16.9
356.17111	2.0
385.17828	22.2
386.18179	2.4
407.99991	0.4
449.14938	100.0
450.15253	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	449.13
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.8
61.98818	0.4
67.01891	0.7
68.67132	0.4
69.03474	0.4
69.89841	1.4
69.90260	0.7
71.01376	4.8
72.99284	1.2
73.02945	1.3
79.01887	0.7
82.83358	0.4
83.01372	1.2
85.02938	2.8
89.02441	3.8
95.01389	1.9
97.02939	0.7
99.00880	0.8
101.02434	3.5
107.01392	5.1
109.03017	0.7
111.00871	1.4
113.02430	2.6
119.03485	1.3
123.00888	12.3
123.04527	0.6
124.01656	1.2
125.02454	20.9
126.02743	0.5
127.00415	0.7
135.06625	1.8
136.98866	0.7
137.02472	1.0
139.00400	5.0
140.01141	2.4
141.01938	1.8
149.02390	0.6
151.00381	10.7
152.01062	0.9
152.65387	0.4
153.01741	0.7
163.00410	0.5
167.03403	0.6
168.00671	3.9
169.01425	30.9
170.01843	0.9
211.02473	7.4
212.02701	0.6
228.54608	0.5
237.87503	0.4
244.75511	0.4
253.38243	0.4
271.04575	10.3
287.05560	1.2
296.94159	0.4
313.05734	2.9
449.12973	100.0
450.13287	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	449.1497
Annotation	Suvorexant
Peak:m/z	Relative Intensity
50.09520	0.3
53.03806	0.3
53.24640	0.3
59.01373	3.3
61.98833	0.6
62.96409	28.0
71.01362	0.6
71.50629	0.6
76.38025	0.3
78.95903	64.4
80.97468	35.7
83.87930	0.3
92.04092	0.3
96.21349	0.3
101.02499	0.4
118.26904	0.3
139.00496	0.3
149.00096	17.7
152.99574	0.3
179.01205	2.0
181.02739	0.6
205.15959	8.5
206.16315	0.9
211.13336	0.5
225.44710	0.4
242.98302	5.0
285.12570	2.9
286.12790	0.4
355.16769	18.4
356.17075	2.3
385.17844	25.2
386.18124	1.9
389.21472	0.4
449.14966	100.0
450.09286	0.4
450.15283	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	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38756	0.6
55.01876	0.7
57.03442	1.2
59.01378	48.5
60.01728	0.9
61.98829	43.0
65.00340	1.3
65.03962	4.4
67.01900	2.5
71.01379	10.7
71.49306	0.7
72.99317	0.8
73.01775	0.8
73.02951	2.8
74.99109	1.0
83.01391	2.7
85.02952	2.9
87.00877	0.7
89.02441	8.3
91.01888	9.0
93.03460	3.5
95.01387	2.0
97.02988	1.0
98.20779	0.8
99.04522	1.9
101.02457	6.4
101.06094	0.7
101.11800	0.7
103.15997	0.8
107.01402	3.2
108.02174	1.8
109.02948	71.9
110.03300	3.0
113.02448	4.7
117.97372	0.8
119.03516	3.7
119.05098	1.0
121.02957	10.5
123.00893	8.4
123.04523	12.4
124.01675	0.9
125.02455	8.0
132.02188	1.7
134.03766	0.8
135.00883	25.6
135.04515	14.1
136.01579	1.3
136.99097	1.7
137.02438	15.6
138.02789	1.0
139.04008	8.2
143.03522	0.8
147.00829	0.7
149.02440	39.4
150.02873	1.6
151.00362	13.4
151.01518	0.5
151.03989	10.9
151.05112	1.1
153.01906	6.3
160.01639	3.8
161.02383	0.7
161.04550	2.6
163.00369	31.5
164.00648	1.9
165.01907	8.8
169.01430	6.5
169.06604	1.2
173.05981	0.8
177.02019	1.7
178.99734	0.7
179.05621	1.8
184.58508	0.6
191.05540	1.3
194.71199	0.7
196.05276	0.8
197.06081	2.4
201.05556	2.9
205.67505	0.7
213.05571	1.4
224.04793	2.2
225.05553	12.6
227.03513	0.8
230.18968	0.9
241.05118	2.7
243.06592	9.0
244.06952	1.2
259.06085	38.0
260.06302	3.5
260.33994	0.8
269.04529	51.2
270.04956	2.5
287.05600	100.0
288.05942	11.0
300.99860	0.9
313.05588	3.5
315.98581	4.1
316.99222	2.4
329.06458	0.9
349.94540	0.7
356.49014	0.7
373.24863	0.7
389.17578	1.4
389.21780	2.9
395.28876	0.8
421.11380	0.9
449.03897	2.8
449.10840	50.1
449.24393	1.5
450.11053	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	449.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.2
64.73784	0.8
65.03962	2.9
67.01887	1.0
69.67284	4.0
83.71066	0.7
91.01888	3.9
93.03465	2.2
101.79716	0.8
109.02957	45.0
121.02981	4.3
123.00850	2.5
123.04523	11.9
132.02219	1.2
135.00890	17.4
137.02440	8.4
139.04024	3.7
149.02448	17.9
151.03998	7.3
153.01958	3.6
160.01686	5.0
163.00372	30.3
164.00888	0.8
165.01952	5.2
177.01930	1.2
196.05278	1.1
197.06148	1.3
201.05565	2.7
210.14577	0.8
224.04779	2.9
225.05547	10.3
227.03477	1.3
240.04286	1.6
241.05106	2.0
243.06633	1.3
259.06082	17.5
260.06393	1.2
267.03046	1.4
268.03787	2.2
269.04559	34.8
270.04822	3.1
280.14316	0.8
287.05612	100.0
288.05905	9.5
333.91754	0.8
345.12704	0.9
355.05798	0.9
431.09756	2.3
449.10614	1.4
452.11166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09248	1.0
50.65313	0.9
57.90176	0.9
59.01384	85.2
60.01695	1.2
61.98833	2.0
63.96252	1.2
65.03963	1.3
67.01878	1.3
70.14899	1.7
70.15273	1.9
71.01392	6.2
72.99303	1.6
73.02958	2.4
83.01395	0.9
85.02960	2.5
85.89493	0.8
87.00892	1.5
89.02452	4.6
91.01891	3.9
93.03446	2.0
93.04749	1.1
95.01342	1.1
101.02457	4.2
108.02184	1.4
109.02962	37.4
109.03708	2.1
110.03259	1.3
113.02443	2.5
119.03497	0.9
121.02972	4.7
123.00887	3.7
123.04531	9.6
125.02435	4.2
132.02052	1.1
135.00893	17.1
135.98360	5.2
137.02440	7.1
139.04022	4.6
149.02457	18.9
150.03047	1.0
151.00407	1.5
151.04012	5.7
153.01898	3.4
153.50539	1.0
160.01674	2.5
161.04512	1.3
163.00391	23.6
164.00694	1.3
165.01898	5.7
166.89322	1.1
169.01460	1.8
173.06053	1.0
177.02052	1.1
196.05309	1.3
199.04260	1.7
201.05458	2.7
224.04866	1.6
225.05603	8.5
227.03540	1.1
240.04338	1.2
241.04973	1.6
243.06589	2.3
259.06131	22.0
260.06461	1.7
267.02960	2.2
268.03894	1.7
269.04553	30.9
270.04950	2.7
273.04834	1.0
287.05630	100.0
288.06012	9.5
292.81238	1.0
311.05725	1.1
324.90216	1.1
324.94373	1.2
345.15518	1.9
347.16989	2.6
363.16586	2.2
389.18076	3.0
405.17441	1.7
421.11166	1.2
431.10059	2.7
449.11841	5.2
449.20480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33119	0.4
54.39887	0.4
55.01888	0.8
57.03457	1.3
59.01384	11.9
61.98833	100.0
62.98550	1.1
62.99278	0.5
63.99262	1.3
68.25359	0.5
68.99815	0.8
69.42706	2.7
69.43133	1.1
71.01385	8.7
73.02949	2.6
82.70789	0.5
83.01401	1.9
85.02956	4.4
89.02455	3.5
89.18418	0.4
93.03465	13.7
95.01411	1.7
96.99326	0.5
97.02937	0.5
99.00878	0.6
99.04517	0.9
101.02442	6.6
102.02811	0.5
107.01387	0.9
108.02204	2.9
109.02962	1.7
113.02461	3.8
117.48152	0.5
119.03532	1.2
121.02979	1.2
122.03754	17.7
122.04652	0.9
123.04540	12.2
124.01727	1.3
125.02457	6.2
135.04561	1.3
136.01701	1.3
137.02454	29.1
138.02789	1.0
146.17131	0.5
147.04628	0.7
149.02455	0.8
151.00366	2.0
152.01193	1.5
153.01939	0.6
161.04549	1.3
165.01976	1.4
169.01436	1.0
173.06075	0.6
173.59421	0.6
178.99933	1.2
179.05652	0.5
201.05647	0.8
215.07341	0.6
243.06693	2.0
259.06088	5.9
260.06412	0.8
269.04535	5.1
269.14087	0.7
281.06668	23.4
282.07074	1.5
287.05640	6.7
291.01053	0.5
299.05380	0.5
300.33243	0.5
302.28705	0.5
318.63739	0.5
370.95648	0.5
387.13110	0.9
389.21664	1.1
405.11929	25.6
406.12381	3.7
417.08154	0.7
431.09918	2.0
449.04807	0.9
449.11011	17.5
449.24030	1.3
450.11386	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10625	1.1
57.03248	0.8
57.03451	10.3
57.82507	1.1
59.01375	4.0
61.98836	55.0
62.98540	1.2
63.02419	1.3
65.00320	4.6
69.03413	1.1
69.55071	4.4
69.55480	1.8
71.01380	1.3
81.03451	2.8
83.01389	8.1
85.02945	1.3
93.03449	4.1
94.18735	1.1
107.01382	7.1
107.04996	1.3
109.02936	3.5
117.03504	1.2
121.02955	7.8
123.04520	1.6
125.02454	100.0
126.02776	4.3
133.02969	2.8
137.02467	5.0
149.02420	7.2
151.00385	27.1
152.01138	5.4
153.01929	9.2
156.05789	1.1
163.00407	2.3
165.01945	23.0
166.02258	2.0
167.03587	1.1
169.06604	2.1
171.04550	1.9
172.05286	1.6
173.06085	3.8
175.03995	1.3
176.01204	2.0
177.02005	1.2
177.05568	2.7
178.99873	17.5
179.03452	6.4
181.06554	1.7
197.06075	3.7
201.05557	3.9
203.03397	1.4
213.05539	1.8
215.07132	6.7
225.05589	4.6
241.05075	3.0
243.06583	5.2
259.06116	90.9
260.06506	5.7
269.04559	88.9
270.04794	6.6
283.06192	1.9
287.05627	51.1
287.56635	1.1
288.05981	5.5
311.05624	3.2
342.05945	4.4
347.22296	1.0
355.80591	1.2
421.11533	2.0
431.09991	3.9
449.10913	58.5
450.11322	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	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03623	0.9
57.03452	2.0
59.01380	34.4
59.45729	0.9
61.98814	1.3
63.02403	8.8
65.00329	8.7
68.57941	0.9
71.01380	6.9
73.02935	1.5
80.58410	1.0
83.01385	7.6
85.02944	2.7
87.00866	1.2
89.02448	8.2
95.01389	1.2
97.47960	1.0
101.02438	7.4
107.01399	16.7
107.05053	1.1
111.00884	1.4
111.12554	1.0
113.02453	4.7
117.03474	3.4
119.03507	4.0
119.05059	1.8
123.00899	2.1
124.01674	5.6
125.02446	10.7
133.02953	1.4
134.03687	2.1
135.04527	3.9
139.00359	1.5
149.02515	1.4
151.00371	55.3
152.01163	35.7
153.01520	1.5
161.04559	2.1
169.01405	4.2
173.94617	1.1
177.05525	1.5
178.99847	27.7
179.05592	1.2
180.00403	2.3
180.05634	0.9
183.04442	1.1
197.06178	1.3
201.05508	1.3
225.05559	4.1
241.05016	1.1
259.06116	4.5
269.04550	100.0
270.04980	7.9
286.04803	3.4
287.05545	3.6
290.26855	1.0
389.21835	14.6
390.22134	1.3
449.10907	53.8
450.11276	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	449.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.4
59.01376	51.2
61.98830	1.3
64.65257	0.8
65.00314	5.7
66.64455	0.9
69.02235	0.9
69.18903	7.9
69.49204	0.8
71.01380	5.0
73.02955	1.4
81.03450	2.9
83.01366	8.5
85.02961	3.3
89.02438	4.0
93.03444	5.7
95.01369	1.9
97.02934	1.9
101.02423	3.9
107.01390	7.3
107.05002	1.8
109.02951	6.8
113.02416	2.2
117.03500	1.4
119.03464	2.0
121.02947	8.5
123.00864	1.0
123.04507	3.3
124.01660	2.2
125.02444	100.0
126.02778	4.0
131.05048	1.7
133.02939	3.3
135.00847	2.4
135.04468	1.4
137.02490	4.3
139.04013	2.5
147.00926	1.0
149.02432	11.1
150.02800	1.1
151.00360	29.7
152.01155	5.8
153.01932	10.0
157.06551	1.5
159.04526	1.7
161.04594	1.6
163.00392	3.4
165.01927	25.6
166.02243	1.0
167.03476	1.4
169.06602	1.1
172.05234	1.4
173.06085	5.9
175.03964	1.1
176.01112	1.6
177.01886	1.3
177.05559	3.9
178.99847	17.7
179.03464	7.4
191.03473	1.1
193.01341	1.1
197.06056	2.8
200.41589	0.9
201.05533	5.0
213.05515	1.5
215.07104	8.2
225.05521	5.8
241.05034	4.6
243.06572	7.2
259.06097	97.5
260.06479	7.6
260.73373	1.1
269.04538	98.8
270.04861	9.1
283.06107	1.6
287.05591	56.7
288.05930	4.9
299.68732	0.9
309.13480	1.0
311.05603	3.3
329.16049	4.2
342.05838	3.6
347.17154	2.5
389.18173	3.6
421.11420	3.0
431.10010	2.6
449.10870	63.5
450.11255	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	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93826	0.5
59.01377	20.7
60.01725	1.0
61.98829	100.0
70.26772	1.1
70.27161	2.0
71.01382	4.0
73.02953	1.8
80.70567	0.5
85.02957	1.5
89.02446	1.9
95.01405	0.7
97.06618	0.5
101.02425	3.0
102.02824	0.6
107.01415	0.6
108.02196	0.9
113.02494	1.3
119.03510	1.2
125.02502	2.5
128.03526	0.6
137.02466	1.3
151.00415	1.1
152.01176	2.5
153.01959	0.7
161.02496	0.7
161.04575	1.6
168.00638	0.7
169.01431	1.3
178.99921	0.8
225.15045	0.7
226.15382	1.4
238.65572	0.5
243.16089	0.5
269.04523	3.2
277.20007	0.6
285.04053	0.8
286.04520	1.0
286.98215	0.6
299.99106	1.9
300.99432	3.4
302.00333	2.4
315.01263	0.7
388.20789	1.4
389.21613	2.8
448.05551	3.8
449.05096	0.9
449.10675	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	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.9
59.01381	1.1
61.98833	100.0
65.00327	0.8
70.93914	0.6
70.94238	0.6
71.01378	0.4
83.01406	1.0
89.02488	0.4
90.01472	0.4
93.03466	0.8
101.05642	0.3
107.01410	0.8
109.02975	0.5
121.02956	0.8
125.02455	16.9
130.63213	0.3
137.02496	0.4
149.02440	1.5
151.00362	4.2
152.01178	1.0
153.01958	1.2
159.04445	0.5
161.63469	0.4
165.01938	3.7
169.06656	0.4
172.13712	0.4
173.06133	0.9
178.99847	2.1
179.03543	1.2
199.07748	0.5
215.07195	1.2
222.70663	0.4
225.05493	0.8
241.05109	0.7
243.06685	1.0
259.03403	0.8
259.06104	15.9
269.04544	17.6
287.05643	9.2
311.05737	0.5
342.05890	0.5
431.09982	0.7
449.10925	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11897	0.3
57.03451	1.8
59.01377	1.2
61.98829	100.0
65.00307	0.5
69.61413	2.4
78.56307	0.3
83.01376	1.8
93.03498	0.6
107.01423	1.1
109.47266	0.3
121.02973	0.6
125.02444	13.9
133.02957	0.7
135.04602	0.5
137.02528	0.5
139.03984	0.5
149.02480	1.4
151.00336	3.6
152.01137	0.8
152.05118	0.4
153.01968	1.3
155.05072	0.4
165.01875	2.6
173.06044	0.5
177.05511	0.5
178.99875	1.9
179.03578	0.8
182.30894	0.4
201.05670	0.9
215.07153	0.9
225.05589	0.5
241.05003	0.4
243.06638	0.8
259.06107	13.3
259.08722	0.7
269.04529	13.3
287.05637	7.0
287.08539	0.5
449.10815	9.0
449.16901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.5
59.01379	6.7
61.98830	100.0
69.43855	2.2
69.44283	1.1
71.01394	1.7
73.02937	0.6
85.02953	0.4
89.02445	0.5
93.03471	2.6
97.06609	0.4
97.89075	0.5
101.02462	1.1
113.02437	0.6
116.17672	0.4
122.03740	2.4
123.04553	1.8
125.02460	1.2
137.02440	3.4
161.04538	1.1
178.06172	0.5
225.15074	0.8
226.15350	0.8
259.06140	1.0
275.05124	0.4
281.06644	3.0
287.05685	1.1
300.99567	0.6
353.08615	0.5
388.20786	0.5
405.11856	3.0
449.05725	0.5
449.10736	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	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.6
59.01378	34.2
59.55039	0.5
60.01708	2.4
61.01782	0.6
61.98829	100.0
62.47562	0.5
62.76403	0.5
65.00310	0.8
65.03964	1.8
66.53790	0.5
67.01881	1.0
67.29842	0.4
71.01379	6.8
71.51688	0.8
72.01704	0.5
72.07032	0.5
73.02956	2.4
83.01426	1.0
85.02959	1.7
87.00931	0.5
89.02448	6.1
91.01910	2.3
93.03471	1.9
95.01407	0.8
95.02477	1.2
99.00895	0.8
101.02442	4.2
105.21912	0.6
107.01380	1.8
108.02180	0.8
109.02951	27.3
113.02462	2.4
114.02743	0.6
119.03513	2.4
120.03854	0.6
121.02966	3.8
122.03770	0.7
123.00124	0.5
123.00861	3.0
123.04539	3.9
124.01648	0.7
125.02438	4.6
131.41881	0.5
132.02200	0.8
135.00876	10.4
135.04535	5.4
137.02441	5.7
139.03992	3.6
141.45595	0.5
142.65938	0.5
143.03557	0.6
146.04619	0.8
149.02434	15.3
149.03630	0.7
151.00346	6.0
151.03993	4.6
153.01944	2.7
157.08498	0.5
160.01685	1.4
161.04520	2.9
162.04898	0.5
163.00374	12.0
165.01912	3.3
165.42149	0.6
169.01518	2.9
172.14635	0.5
177.01942	1.1
179.05640	1.8
197.06117	1.0
201.05638	1.4
207.51060	0.6
217.01410	0.6
224.04700	1.0
225.05560	4.0
241.05115	1.5
243.06636	3.6
259.06085	14.6
269.04550	19.9
285.04086	0.6
286.04440	1.8
287.05606	42.6
304.99124	0.6
313.05801	1.5
315.98703	1.0
316.99179	0.7
329.16077	0.8
368.10049	1.0
388.20673	1.9
389.21893	1.5
394.33417	0.5
431.10028	0.8
449.04486	0.6
449.10870	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	448.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63339	1.2
57.19595	1.3
59.01377	14.5
60.01718	1.2
61.98830	100.0
62.67365	1.1
63.02416	1.3
65.00327	7.1
70.82143	1.7
70.82491	2.2
71.01388	2.7
72.88424	1.0
73.02940	3.0
75.00880	3.6
76.48170	1.0
83.01391	4.5
84.11946	1.0
89.02447	1.8
101.02443	3.3
107.01381	13.6
109.02965	1.4
124.07683	2.4
125.02463	3.9
133.02966	4.5
134.03258	2.1
135.04520	46.9
151.00365	61.4
152.00691	1.5
161.02519	1.2
161.33916	1.2
169.01346	1.3
175.04015	1.4
176.04327	1.7
177.02002	1.1
179.10735	2.1
184.34906	1.1
185.00829	1.0
199.03905	1.6
204.83971	1.3
211.16319	1.2
216.03770	1.5
218.05339	1.4
223.09700	3.6
227.03505	6.0
228.03908	5.3
243.02975	1.3
255.02963	4.8
256.03354	11.8
257.04135	2.4
272.02878	2.0
284.03265	3.7
285.03925	37.8
286.04379	64.5
287.05621	49.1
287.14108	3.5
300.03259	1.3
301.03287	3.2
341.55917	1.2
388.20560	1.9
448.09616	35.6
448.22720	10.6
449.10852	14.8
449.28156	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03431	1.2
58.35880	0.8
59.01377	100.0
60.01700	1.7
61.01787	1.2
61.98827	33.8
69.18760	9.1
71.01380	24.6
71.52409	1.0
72.99303	2.5
73.02955	4.4
74.02501	0.8
85.02943	7.5
87.00866	1.8
88.98810	4.4
89.02440	25.1
91.01926	1.4
93.03419	1.0
93.11452	0.8
95.01398	2.5
98.20719	1.6
99.00883	1.3
99.04539	1.2
101.02432	15.7
107.01404	2.0
109.02948	1.3
113.02470	10.3
114.17435	0.8
119.03487	9.1
121.02940	3.0
123.00891	2.6
125.02443	7.5
126.02784	1.1
131.03453	1.0
131.97183	0.8
134.67245	0.8
135.00893	2.5
137.09688	1.2
143.03493	2.4
149.02594	0.9
151.00331	1.7
153.01895	1.1
153.09084	0.9
161.04529	7.2
167.06934	1.1
169.01396	7.9
179.05600	8.3
211.02495	1.4
217.01294	1.0
223.13419	1.1
225.14958	2.3
244.04907	0.9
256.03568	1.1
267.12393	2.8
273.04849	1.1
284.03253	2.6
285.04047	21.6
285.16937	1.1
286.04404	2.2
324.80368	1.0
368.59625	1.0
387.20264	17.9
388.20703	1.6
447.04553	6.0
447.09451	2.4
447.14255	4.6
447.22275	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	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32353	0.6
55.01884	2.5
57.03447	1.2
58.00599	3.2
58.00864	0.7
59.01381	86.2
60.01705	1.0
69.33923	5.7
71.01382	62.4
72.01726	0.8
72.99337	3.3
73.02950	16.6
73.79009	0.7
77.43487	0.5
83.01402	3.1
85.02956	11.6
87.00880	2.6
89.02447	100.0
90.02773	1.5
95.01376	2.4
97.02964	1.6
99.00880	19.6
99.04537	0.7
101.02447	38.1
102.02798	0.8
113.02449	18.6
115.04013	1.5
119.03510	16.5
125.01662	0.7
125.02435	4.4
131.03499	16.5
143.03491	3.9
149.04558	44.3
150.04903	1.1
161.04550	4.9
179.05583	7.9
191.05615	12.5
211.13353	0.9
221.06696	1.3
227.03465	1.5
230.73611	0.7
233.06670	1.1
240.75169	0.8
251.07634	2.3
255.02876	2.4
284.03204	1.9
285.03964	1.0
314.04233	0.8
315.17944	1.8
394.20047	0.8
447.09000	2.9
447.22308	18.0
448.22351	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	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09679	0.2
51.96566	0.3
55.01885	1.9
56.99832	0.3
57.03441	1.8
58.00591	3.8
59.01378	100.0
60.01721	1.2
68.39000	0.3
69.03476	0.4
71.01380	59.5
72.01725	1.1
72.99309	3.7
73.02947	4.9
83.01386	4.0
85.02953	12.8
86.03313	0.3
87.00867	2.6
89.02444	83.5
90.02747	1.3
95.01387	3.4
97.02946	0.7
98.20673	0.5
99.00884	4.0
101.02441	36.1
102.02773	0.8
103.17359	0.2
105.72145	0.2
106.47969	0.3
108.02186	0.4
110.53587	0.2
111.31181	0.3
113.02451	20.6
114.02779	0.3
119.03503	22.2
120.03897	0.2
125.02434	2.0
129.01942	1.1
131.03500	45.7
132.03819	1.2
143.03488	4.4
143.34827	0.2
148.41048	0.2
149.04550	13.2
151.00360	0.2
152.03975	0.3
161.04555	4.7
173.04552	0.6
179.05608	9.1
180.05919	0.4
181.96573	0.3
187.00896	0.3
191.05605	15.9
192.05968	0.6
195.01941	0.2
207.34343	0.3
211.13399	3.0
227.03485	1.7
243.02991	0.3
251.07649	0.3
253.09303	0.4
255.02986	1.8
271.02454	1.2
284.03201	2.0
285.04010	1.4
299.01880	1.8
300.02255	0.3
314.04135	1.7
315.04932	1.3
315.18134	2.9
420.30963	0.3
447.09180	3.3
447.22424	0.8
448.09464	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
69.27790	2.3
69.28212	2.8
71.99222	0.6
72.99313	6.1
75.00880	3.6
89.93255	0.6
103.00378	1.2
105.01936	100.0
106.02271	2.0
213.60307	0.5
256.38867	0.5
262.39526	0.5
387.07596	0.8
447.11728	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
52.60120	0.6
55.01884	3.2
57.03451	3.1
58.00584	3.7
59.01379	78.9
60.01728	1.1
68.99854	0.6
69.03464	1.5
69.36536	2.1
69.36957	3.2
71.01382	81.1
72.01713	0.9
72.99301	3.1
73.02944	32.2
75.00852	0.9
79.73898	0.7
83.01393	6.0
85.02950	23.5
85.03471	1.3
87.00877	2.8
89.02445	100.0
89.48859	0.6
90.02770	1.3
95.01389	4.1
97.02956	2.7
99.00880	28.9
101.02442	57.2
102.02848	0.7
104.10019	0.6
113.02452	23.3
115.04041	1.1
119.03512	8.6
125.02434	6.1
129.01901	0.7
131.03505	18.3
143.03479	3.5
149.04556	65.3
150.04903	1.4
158.34055	0.6
159.02969	2.8
161.04559	23.6
162.04837	1.0
179.05560	2.2
182.75288	0.7
185.05930	0.7
191.05611	14.0
211.13362	2.1
221.06671	3.5
227.03458	3.1
233.06665	1.6
251.07687	5.0
255.02940	3.9
284.03333	3.7
285.03958	2.4
293.08688	1.1
315.18094	28.7
316.18463	2.9
447.09357	6.2
447.22324	70.3
448.09485	0.9
448.22653	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	447.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24094	0.3
59.01372	0.8
62.96401	1.1
69.24046	0.3
70.25504	1.3
78.95905	40.6
85.66550	0.3
90.36064	0.3
94.73746	0.3
96.96961	2.1
114.13414	0.3
123.07753	0.3
149.00093	18.3
150.00429	0.4
158.92595	2.0
179.01180	2.4
197.35115	0.3
205.15958	1.2
210.02388	0.4
211.13509	0.4
227.03616	0.5
240.96831	0.4
255.02962	1.0
284.03229	0.6
285.04077	0.7
347.08258	0.6
417.12445	0.9
431.10260	2.8
432.10825	0.4
447.13446	100.0
448.13748	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1293
Annotation	Siebolside A
Peak:m/z	Relative Intensity
52.13163	0.4
54.31227	0.4
57.03455	0.6
59.01377	11.0
61.98856	1.4
65.00340	0.8
71.01381	3.2
73.02972	0.7
80.02694	0.8
85.02983	1.8
89.02462	2.0
91.01897	14.9
91.93041	0.6
93.03498	0.8
95.01420	1.2
98.19867	1.0
101.02428	2.1
107.01445	0.6
107.05057	0.8
108.02177	17.6
109.02981	3.5
110.26212	0.4
113.02476	1.8
120.72846	0.5
120.94931	0.4
120.96102	0.4
121.02919	0.6
123.00877	5.5
124.01637	0.6
125.02496	0.6
131.34024	0.4
133.70973	0.4
135.00879	13.4
136.01260	0.6
137.02443	6.1
138.06929	0.5
140.77692	0.4
151.00412	0.7
152.01151	15.9
153.01857	0.7
153.09218	1.7
161.04610	1.5
169.06647	0.4
197.06081	1.5
211.13385	2.9
213.05550	0.9
215.06963	0.6
225.14946	2.1
227.03494	11.2
228.03906	1.0
238.62791	0.4
241.05144	0.4
243.06607	100.0
244.06955	7.9
255.02982	14.9
256.03528	2.2
284.03262	13.6
285.03973	8.5
285.20728	0.8
286.04367	0.7
287.72922	0.4
299.98932	1.2
315.01474	1.2
358.36853	0.4
387.10754	1.1
387.20349	2.0
395.16019	0.4
447.09113	18.0
447.25867	2.9
448.09396	2.7
457.27917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
57.03453	2.8
59.01380	55.7
66.51682	1.7
69.03485	1.8
71.01383	34.6
71.50953	2.4
72.99318	2.3
73.02939	5.4
75.00867	2.0
81.03465	2.6
83.01382	4.6
85.02979	8.4
87.00861	4.3
87.04532	2.0
87.94814	1.6
89.02451	15.1
93.03429	1.7
95.01427	3.0
96.82254	1.5
97.02982	2.5
100.12444	1.6
101.02443	15.2
102.98603	5.7
106.08196	1.5
107.01395	12.6
107.04959	1.7
108.02166	1.8
111.00875	2.4
113.02438	12.1
115.04009	2.1
115.49156	1.6
119.03494	6.2
123.00900	17.0
124.01691	6.6
125.02460	84.9
133.05072	21.1
135.98288	2.4
136.98784	2.2
137.02444	3.6
138.06799	1.7
139.00403	8.1
140.01160	5.0
149.04478	1.8
149.99586	5.8
151.00388	12.8
153.01981	5.5
161.04518	3.8
167.03545	2.2
167.10794	2.1
168.00647	25.4
169.01430	100.0
170.01759	5.7
183.02928	3.4
211.02512	34.5
212.02890	2.1
225.14967	4.1
227.03510	2.1
241.03554	4.9
255.02975	2.0
271.04617	68.9
272.04825	4.8
283.05017	2.2
284.03162	2.1
285.04059	6.4
295.10373	30.0
313.05655	59.1
314.06067	4.9
331.06613	9.3
387.09470	3.7
391.36520	1.7
403.08783	4.0
447.10751	75.5
448.11356	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	447.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	0.8
58.15051	0.6
59.01379	35.0
71.01380	16.5
71.10068	1.1
72.99286	1.3
73.02920	2.0
81.03449	0.8
83.01353	1.9
85.02960	3.7
87.00826	2.2
89.02444	16.2
95.01348	2.4
97.02943	1.0
99.21484	0.6
101.02445	11.2
107.01389	3.9
109.02914	1.1
111.00806	2.3
113.02445	6.5
116.75417	0.5
116.92805	0.6
119.02765	0.7
119.03488	6.9
121.02857	0.8
123.00883	6.2
124.01675	5.7
125.02450	37.3
126.02748	1.9
131.03462	0.7
133.05081	5.5
136.98761	1.7
137.02357	2.8
139.00299	2.7
139.04021	0.9
140.01088	2.5
141.01811	0.6
143.03424	0.8
149.04482	0.6
149.99600	7.3
151.00368	3.7
151.03885	0.6
151.46468	0.6
159.65942	0.6
161.04491	1.5
165.01913	1.0
167.03423	2.1
167.99266	1.3
168.00639	27.9
169.01422	36.0
170.01720	1.6
179.03423	0.6
211.02470	48.4
212.02667	2.3
225.14870	1.6
255.02890	0.8
271.04578	36.0
272.04755	1.8
274.01187	0.7
285.03812	1.9
295.10339	46.4
296.10495	2.7
299.98877	0.9
300.99689	1.4
313.05801	4.2
315.04977	1.4
325.03900	0.7
328.99197	2.1
331.06476	1.9
356.98959	0.9
380.73849	0.7
387.09317	0.7
387.19937	1.0
403.06641	3.9
424.71378	0.8
429.09747	1.0
447.11099	100.0
448.11533	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	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95968	0.7
65.79897	0.6
69.21818	0.5
69.22038	2.4
69.22454	3.3
85.06685	0.5
98.20729	0.7
107.01383	1.7
125.02444	0.7
151.00359	2.6
163.00401	1.2
165.02130	0.7
178.99840	0.8
183.04532	1.8
185.06233	0.8
187.03954	0.6
187.45551	0.6
199.04019	0.6
211.04010	1.6
227.03493	80.7
228.03873	4.8
229.05052	2.1
239.03503	0.7
255.02980	100.0
256.03473	15.6
257.04306	2.3
284.03250	68.7
285.03952	32.0
286.04388	2.9
327.05301	0.9
372.54340	0.6
447.09299	99.2
448.09662	16.6
448.15903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	20.7
61.98537	0.4
61.98829	5.9
63.02393	1.2
65.00332	0.7
65.26614	0.3
69.36891	1.8
69.91056	0.3
71.01383	3.1
73.02955	0.8
76.16991	0.3
83.01376	1.4
85.02932	1.2
87.00840	0.3
89.02434	1.3
90.25203	0.2
95.01429	0.4
98.20683	0.6
101.02449	1.5
105.03436	0.4
107.01382	2.7
109.02963	0.6
113.02433	1.2
119.03539	0.7
121.02908	0.6
125.02454	0.5
127.17080	0.3
133.02956	4.6
134.03712	1.0
135.00822	0.3
148.01636	0.5
149.02368	1.0
151.00374	5.1
161.04620	1.6
171.04422	0.4
174.33330	0.3
175.03908	1.8
177.01820	0.4
183.04518	0.6
187.04005	0.4
189.05542	0.3
199.03903	1.8
200.04550	0.4
201.02008	0.6
203.03389	0.4
205.12341	0.4
211.04010	1.5
213.05527	0.6
217.05037	0.7
225.14900	1.0
227.03429	2.0
228.04128	0.5
229.05003	1.1
239.03453	0.9
240.04202	0.3
241.05141	0.8
243.02968	0.8
255.03023	1.8
256.03787	3.7
257.04190	0.5
283.02505	0.4
284.03250	58.4
285.04004	100.0
285.35156	0.3
286.04391	9.4
297.04019	0.5
299.09271	0.6
299.99146	0.8
315.01520	0.3
327.05087	1.1
367.51706	0.4
387.20242	4.7
388.20868	0.5
403.10489	1.2
447.09320	66.3
448.09637	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	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40710	1.4
59.01380	100.0
60.01707	2.0
61.03626	1.5
61.98828	1.6
67.67224	1.3
67.70352	1.2
69.26940	1.3
71.01376	3.7
71.50638	2.4
78.95875	1.2
89.02435	2.7
91.03996	4.9
99.11559	1.4
101.02451	1.3
153.09123	1.2
158.86688	1.3
197.11882	1.5
209.11830	16.7
210.11940	1.6
211.13345	1.7
253.09116	1.8
311.22266	18.9
312.22598	1.7
315.73309	1.3
413.79819	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	447.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88433	0.5
56.57795	0.5
59.01379	14.6
71.00016	1.4
71.01407	1.6
72.70678	0.5
84.58513	0.6
85.83374	0.5
89.02480	2.1
90.29268	0.5
90.41970	0.5
101.02457	0.6
113.02496	1.1
119.03536	1.0
169.34016	0.5
216.00685	1.0
223.73590	0.6
225.14917	0.6
241.41573	0.6
242.99345	0.8
244.00159	1.0
262.61151	0.5
264.46783	0.6
270.98831	19.3
271.01672	1.1
271.99295	1.5
284.03241	2.9
285.03937	3.9
298.98331	27.3
299.99097	100.0
300.99454	7.1
314.00644	10.6
315.01450	74.3
316.01779	5.8
370.46442	0.6
387.20203	1.1
447.05560	63.0
448.06000	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	447.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01332	1.9
63.02381	0.5
69.59863	0.8
69.60282	1.8
83.01355	0.6
94.22427	0.4
107.01365	0.8
120.67908	0.4
143.04973	0.4
151.00371	2.3
163.00359	0.5
164.42194	0.4
178.99835	0.5
183.04509	1.3
185.05952	0.5
187.03952	0.7
211.03922	1.9
213.05482	0.5
219.21016	0.4
227.03490	66.3
228.03864	4.6
229.05008	1.7
240.04248	0.6
241.04794	0.4
242.88936	0.4
243.03105	0.5
255.02972	83.6
256.03568	11.5
257.04489	1.8
270.98874	3.5
284.03256	74.9
285.03937	26.8
286.04370	2.4
298.98331	4.8
299.99106	15.8
300.99539	1.3
314.00650	2.2
315.01447	11.6
316.01862	1.3
327.05249	1.2
445.18228	0.4
447.09518	100.0
448.09805	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	445.2358
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
59.01376	2.0
61.46473	0.3
70.97436	0.7
71.01373	0.4
78.95904	7.1
79.42510	0.3
97.94519	0.4
101.02447	0.3
110.98518	5.1
113.47385	0.4
125.02444	1.5
167.01140	2.8
185.02184	4.2
259.20755	0.4
263.60873	0.3
275.20245	0.4
277.21701	100.0
278.22046	10.5
296.86011	0.4
445.23630	5.4
446.24353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08870	0.4
59.01385	2.8
60.15640	0.5
61.98817	0.5
64.05386	0.4
71.01377	0.8
71.50636	0.5
78.95908	17.7
93.35001	0.5
104.97495	0.5
110.98547	11.6
130.10541	0.4
152.99625	0.6
167.01170	13.9
168.01614	0.7
185.02174	3.3
259.20660	0.5
277.21725	100.0
278.22067	11.6
296.97028	0.4
361.15271	2.3
384.19904	0.5
429.21362	1.3
445.23608	15.9
446.24030	2.0
460.98016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01706	0.7
61.98821	0.9
70.98000	1.6
71.01384	1.7
72.78451	0.7
78.95921	1.0
90.58069	0.8
91.04008	2.7
121.02911	0.9
152.99548	2.1
209.11780	4.8
211.13370	2.3
223.50304	0.9
293.21228	1.1
298.04147	0.8
311.22256	12.8
312.22437	0.9
328.59335	0.8
353.83655	0.9
358.98117	0.8
377.41159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00566	1.0
59.01381	100.0
60.01729	1.3
66.32338	0.6
69.56065	4.7
71.01385	18.5
73.02979	2.0
73.35848	0.8
74.55445	0.7
83.05041	2.1
85.02935	3.4
87.00914	0.9
89.02446	29.4
90.02802	0.6
95.01399	1.0
95.09606	0.6
96.07860	0.7
97.01198	0.8
98.19841	1.0
101.02452	9.6
113.02443	8.9
117.42325	0.7
119.03510	9.9
123.00928	0.9
125.02464	1.0
128.03600	0.9
131.03482	1.1
132.14047	0.7
141.00188	1.1
143.03546	1.9
143.04630	1.0
161.04585	4.7
169.01476	1.2
173.02771	2.5
179.05614	15.1
271.04797	1.2
272.08987	0.9
289.06375	0.8
307.24344	0.8
428.95721	0.8
445.13519	3.4
445.21170	1.6
446.14618	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52085	0.4
53.70321	0.5
55.01894	0.5
57.03444	1.0
58.00586	1.0
59.01379	100.0
60.01722	1.3
61.98830	3.5
64.05483	0.5
69.17109	3.1
69.17531	1.7
71.01382	13.4
72.99316	0.8
73.02953	1.5
81.08257	0.5
83.01397	0.6
85.02956	2.7
87.00891	0.8
89.02445	15.7
95.01382	1.0
101.02442	7.2
113.02450	5.1
119.03506	7.5
120.99728	0.5
123.00890	1.3
125.02443	1.7
131.03557	1.0
139.00304	0.5
143.03528	1.1
149.04495	0.5
151.00409	1.1
161.04587	1.5
162.08681	0.5
163.11255	0.9
169.01430	1.7
179.05630	1.6
187.11264	0.9
205.12363	5.6
206.12631	0.5
223.13423	0.7
255.03069	0.8
325.03510	0.6
363.73865	0.6
445.08139	2.7
445.16980	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	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
58.00601	1.6
59.01384	100.0
60.01716	1.1
69.43543	0.7
69.44158	4.8
71.01389	16.1
72.99326	1.6
83.01404	2.2
85.02956	2.2
89.02451	24.5
95.01383	0.9
98.20641	0.9
101.02449	15.1
113.02463	6.3
119.03516	12.6
121.06570	0.8
143.03574	0.9
159.59262	0.7
161.04596	4.0
165.09174	0.9
179.05632	6.1
212.65230	0.8
223.13406	7.4
224.13704	0.9
235.13376	1.5
237.15022	1.4
247.13431	1.5
265.14435	4.2
285.18341	0.9
437.09091	0.8
446.07468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46355	1.2
55.01858	4.2
57.03443	2.6
58.00589	2.0
59.01377	86.4
61.98814	3.6
63.10167	1.3
64.54124	1.2
65.81609	1.1
67.46480	1.1
69.03444	2.9
71.01378	100.0
71.52634	1.6
72.99290	3.0
73.02943	29.4
75.00854	4.8
81.03475	1.3
83.01384	10.2
85.02455	2.3
85.02944	31.7
87.00858	3.2
89.02441	69.7
90.02764	1.8
95.01371	6.1
95.94140	1.2
97.02925	4.4
99.00863	25.7
99.01462	2.4
99.95452	1.2
101.02435	65.1
102.02782	1.9
108.02170	15.5
109.02942	6.2
113.02447	32.7
114.02715	1.3
115.03979	2.4
117.97188	1.3
119.03490	7.5
119.04208	1.3
123.00919	1.6
125.02406	10.7
131.03491	20.0
137.02394	2.1
143.03497	3.6
149.04558	33.1
151.11240	4.4
152.01120	8.5
153.01912	4.0
153.09158	2.1
159.02939	4.0
161.04553	29.6
163.04001	1.6
177.01840	1.6
179.05566	3.0
187.00340	1.9
191.05600	14.6
197.02429	2.1
209.11763	2.1
209.39455	1.3
211.03935	2.9
217.01193	1.7
224.04926	1.9
225.01938	3.2
225.05554	1.7
227.03442	2.5
233.06610	4.3
239.07181	2.1
241.04922	2.4
241.08841	2.6
241.14304	2.5
242.02174	7.1
242.09048	1.4
243.02907	1.6
244.00011	2.6
245.00676	1.4
246.98972	2.2
253.01465	2.1
253.05017	2.3
254.05873	1.5
255.02930	4.8
267.02762	1.7
268.03665	2.9
269.00815	6.2
269.04440	2.7
269.08002	2.3
270.01761	2.8
270.05093	2.7
270.98865	3.0
271.02188	2.1
271.05777	1.5
271.99448	2.9
273.03964	1.8
281.04434	1.3
282.05106	1.8
283.02463	3.0
283.15479	1.9
285.07779	1.7
293.08786	2.6
297.00327	4.2
297.03995	4.0
297.07639	1.6
298.04715	2.7
299.02124	2.0
299.05414	2.9
313.07306	2.8
313.16562	39.0
314.16843	4.2
325.03445	6.4
325.06680	2.3
326.04117	2.7
329.06577	2.4
341.06589	5.7
369.06201	17.4
370.06366	1.8
373.09174	2.5
401.08740	26.8
402.09000	2.5
403.19632	2.0
413.05011	14.3
414.05267	2.6
445.07407	55.0
445.20639	81.1
446.07401	7.6
446.21069	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	445.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07539	0.6
55.01870	0.8
57.03448	1.4
58.20977	0.6
59.01379	11.2
60.23558	0.6
61.98824	0.7
67.01883	1.9
69.03454	1.2
69.52645	0.7
70.47287	0.6
71.01385	11.6
72.99294	1.9
73.02947	5.8
79.01890	1.5
83.01384	2.1
85.02949	5.2
87.00879	1.3
89.02439	6.3
95.01389	3.9
95.01939	0.7
97.02972	1.1
99.00867	1.1
101.02440	6.6
103.03987	1.1
104.27302	0.6
107.01389	8.3
111.00885	3.6
111.04580	0.6
113.02464	4.4
119.03525	1.1
123.00887	24.1
123.04538	0.7
124.01701	1.2
125.02438	31.6
126.02790	1.7
127.00385	0.8
131.03490	2.0
135.04523	0.8
136.98804	2.2
139.00381	7.9
140.01192	4.0
141.02017	2.9
151.00366	19.2
151.03922	1.5
153.01930	1.3
157.08574	0.8
161.04477	1.2
168.00647	5.9
169.01416	51.8
170.01776	2.3
172.04439	1.1
177.05531	0.8
179.03433	0.8
184.84193	0.6
211.02501	4.8
271.04553	7.6
313.05618	6.7
331.06693	1.2
387.09390	2.3
399.09146	0.9
417.10849	0.6
439.11377	0.6
445.08490	11.4
445.14264	100.0
446.14572	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	445.1348
Annotation	6-O-Benzoylsucrose
Peak:m/z	Relative Intensity
58.00588	1.1
59.01379	100.0
60.01722	1.3
61.98826	3.2
71.01382	16.9
72.99315	0.6
73.02940	0.8
83.01427	0.5
83.05041	1.6
85.02969	2.6
86.80043	0.5
87.00880	0.9
89.02443	27.6
90.02826	0.5
91.98553	0.5
93.03444	5.5
93.03934	0.5
95.01399	1.4
98.19826	1.0
101.02443	9.1
108.02160	0.5
113.02463	8.2
119.03497	10.2
121.02985	1.4
123.00925	1.4
123.04544	1.7
125.02446	3.3
131.03535	1.6
131.07137	2.4
137.02451	9.9
143.03555	2.5
149.04579	1.5
151.00322	0.8
151.04008	0.7
161.04570	2.8
161.05992	0.8
168.00647	0.7
169.01430	4.1
179.03810	0.6
179.05618	12.4
195.04904	1.7
205.12373	0.9
209.11989	0.9
211.02528	1.9
229.41809	0.5
265.92896	0.5
271.04715	1.6
293.12430	2.8
294.11893	0.6
445.13168	9.1
446.13541	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1349
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
57.03426	2.2
59.01377	25.1
60.46099	1.1
60.66782	1.0
61.98818	4.6
69.03443	1.9
69.29794	1.1
69.46947	8.6
71.01381	26.3
72.99287	1.6
73.02940	7.9
75.00867	2.1
79.01898	1.7
83.01389	3.9
85.02934	10.7
87.00874	4.3
88.57878	1.1
88.64279	1.0
89.02445	100.0
93.03471	1.8
95.01395	5.9
96.95980	2.6
96.96978	1.8
97.02975	1.9
98.19911	2.6
99.00878	3.5
99.54029	1.2
101.02432	13.3
107.01409	5.7
107.05032	3.2
108.02165	2.3
109.02969	1.9
111.00880	2.7
113.02444	9.3
119.03494	3.2
120.99647	1.6
122.03743	14.3
123.00882	14.9
123.04537	9.6
125.02442	31.4
131.03500	3.9
133.05081	10.1
136.98827	2.4
137.02423	3.7
139.00356	7.9
139.03986	1.7
140.01149	3.2
141.01909	1.8
145.53854	1.1
151.00362	12.2
151.04005	10.6
153.01727	1.5
161.04572	16.2
163.04039	1.4
166.99835	1.2
168.00620	5.4
169.00009	2.3
169.01414	43.4
170.01791	2.1
177.05626	1.6
177.09122	1.5
179.03331	1.3
179.05551	1.2
191.05423	1.7
203.03139	1.2
203.39279	1.3
211.02484	11.1
213.79437	1.2
216.24409	1.1
229.56641	1.1
235.92975	1.1
239.05540	1.7
243.60925	1.2
251.71545	1.2
265.07138	2.7
271.04568	13.5
272.04919	1.2
283.08319	1.2
285.09689	7.4
313.05579	5.2
331.06470	2.2
348.41666	1.2
401.10629	2.5
445.13995	92.9
446.14554	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.6
61.98816	2.0
65.00336	0.7
70.80609	1.1
70.80927	0.8
71.01379	6.2
73.02951	0.8
75.02437	0.9
83.01331	0.7
85.02940	1.5
89.02427	3.3
91.01895	4.9
91.46832	0.6
93.02830	0.6
93.03410	1.1
95.05035	0.6
98.68581	0.6
99.00923	1.0
99.01566	0.6
101.02482	3.1
107.01410	0.9
109.02957	1.9
113.02466	1.4
119.01416	4.3
119.03484	1.2
121.02970	2.2
123.00932	0.7
125.02419	2.1
137.02463	8.6
147.00882	12.2
148.01224	0.7
151.00333	0.9
151.11258	1.1
153.09277	0.7
160.01804	0.6
161.02409	1.3
161.04593	1.0
163.00388	8.6
165.01930	11.7
165.05637	1.3
166.02281	0.6
169.01413	1.9
173.02373	0.8
174.03197	1.9
175.00360	6.5
176.01083	2.1
177.01880	1.2
182.02269	0.8
185.02386	0.9
186.02969	0.6
188.01111	1.6
189.01828	1.0
190.99846	0.8
197.11920	0.7
201.01906	1.9
202.02690	6.0
202.99857	33.3
204.00224	2.7
206.99388	4.2
208.00067	2.2
209.00900	21.4
209.11824	2.9
210.01271	1.0
216.00499	0.7
217.01180	0.7
223.13394	4.2
227.03493	0.7
229.01399	0.9
230.02190	4.3
230.99274	1.7
232.00148	0.9
243.03189	0.7
245.00853	1.6
246.98827	100.0
247.99200	5.7
253.09262	0.8
259.99652	1.7
269.00919	0.9
269.04651	0.9
269.08081	0.7
270.05124	0.8
273.00287	1.1
274.01132	5.2
277.67789	0.8
281.04471	0.8
282.05127	0.9
283.05896	0.8
286.98251	0.9
297.07648	1.5
314.97733	4.2
325.07187	1.1
327.21872	1.9
329.10135	1.3
338.40146	0.7
357.09796	1.8
369.05881	2.0
373.09177	0.8
401.08804	10.4
402.09091	1.0
413.04987	2.2
445.07809	6.4
445.24713	4.8
446.07925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0778
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
59.01379	15.7
61.98809	1.1
69.03442	1.1
69.27623	5.5
71.01386	9.7
73.02919	2.6
74.49117	0.7
75.32912	0.6
81.03420	0.8
83.01362	1.1
85.02950	3.6
87.00838	1.0
89.02437	7.0
95.01396	5.0
97.02909	0.8
99.00837	1.4
101.01880	0.8
101.02439	7.7
107.01382	4.0
109.02916	1.2
113.02468	3.9
119.03458	1.5
121.02887	1.9
123.00914	3.2
123.01653	0.7
123.44324	0.6
124.01654	3.8
125.02446	8.3
127.03973	0.9
131.03529	3.5
133.02896	0.7
137.02339	1.8
139.03899	0.8
145.02832	0.7
149.02350	1.0
149.04506	1.8
149.99591	15.7
151.00372	11.0
151.03888	0.6
159.04282	0.7
160.01602	1.2
161.02469	0.6
161.04587	3.3
163.00327	2.1
164.01039	0.6
165.01875	1.8
167.99419	0.7
168.00638	8.4
169.01416	5.9
171.04465	1.3
173.02397	0.8
177.01804	1.0
183.04367	1.3
187.00359	4.4
187.03940	0.9
188.00972	0.8
191.03494	0.6
191.05426	1.2
192.00674	0.7
193.01321	2.2
196.05215	0.8
197.02373	1.9
197.06042	1.0
198.03168	0.8
199.03877	1.4
203.03365	0.8
209.00919	0.6
209.05869	0.8
209.11710	1.1
211.03842	2.7
213.01860	0.8
213.05592	0.8
213.09085	0.7
214.02582	1.9
215.03366	1.9
216.00493	2.5
217.01443	0.7
217.05035	0.8
222.12112	0.9
224.04745	1.0
225.01958	3.7
225.05408	2.0
226.02637	1.5
226.06105	0.9
227.03513	4.5
229.01341	1.5
229.04938	1.3
239.03378	1.8
240.04356	3.4
241.01283	0.8
241.04976	1.6
241.08554	1.3
242.00241	0.8
242.02213	9.4
242.05679	1.2
242.99153	2.3
243.02647	2.3
244.00075	3.9
245.00583	1.0
245.04158	0.7
246.98975	0.7
251.07033	0.6
253.01259	2.2
253.05067	3.2
253.08650	0.7
254.01953	0.9
254.05725	2.1
255.02956	5.5
255.06569	1.5
256.03510	1.9
257.00751	0.8
257.08133	0.8
259.99429	1.1
261.00302	0.7
267.02917	2.8
267.06287	1.0
268.00021	0.6
268.03574	2.4
268.06656	1.0
269.00769	9.1
269.04276	2.0
269.08243	3.3
270.01505	1.9
270.05182	3.4
270.98917	3.8
271.02325	2.6
271.05872	2.0
271.99414	1.6
272.03012	2.0
273.00085	0.8
273.03885	2.8
279.06369	0.9
281.04459	1.6
282.01752	1.2
282.05215	3.0
283.02518	3.8
283.05386	1.0
284.03003	0.9
285.03909	1.0
285.07483	2.6
287.01797	0.7
295.05911	0.8
296.03238	1.7
296.06583	1.0
297.00238	6.2
297.03857	7.8
297.07507	2.7
298.00861	1.8
298.04602	4.1
299.01810	4.9
299.05243	2.0
300.02365	2.1
301.03253	2.1
301.06729	1.3
310.01343	1.1
310.04840	0.7
311.01755	1.6
312.02716	4.2
313.06995	1.7
313.16583	3.3
323.05499	0.8
325.03326	10.6
325.07114	2.1
326.04111	3.7
327.04517	0.9
329.06693	4.3
329.09998	1.2
340.01935	2.0
341.06705	5.9
342.07083	1.0
343.00708	0.9
369.06134	23.7
370.06400	3.3
373.09082	2.7
401.08755	28.0
402.09152	3.3
412.99789	1.2
413.05136	25.1
414.05206	2.8
445.07733	100.0
446.08078	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	445.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11382	1.4
51.89245	1.3
52.62713	1.4
59.01386	14.0
61.98797	2.1
68.99572	15.6
69.26623	6.2
69.27052	5.9
71.01385	6.5
85.02914	1.8
86.43178	1.7
89.02448	7.1
101.02412	3.8
104.02584	1.2
107.01391	2.3
110.95907	1.5
112.91695	1.4
112.98570	10.6
119.03543	3.1
123.00892	13.8
125.02450	16.4
139.00368	3.2
151.00359	12.1
168.00499	2.5
169.01436	36.3
211.02484	8.2
271.04532	6.4
331.06699	100.0
332.06931	6.0
457.86328	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	445.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.9
58.00599	1.1
59.01380	49.5
60.25867	1.0
61.98811	3.1
62.26480	0.9
69.03448	1.2
69.24167	1.9
69.24576	7.9
71.01383	23.3
72.01698	0.9
73.02944	16.7
83.01363	3.5
83.76425	1.0
85.02942	9.4
87.00870	1.9
87.04518	1.3
89.02442	22.2
93.03459	1.5
95.01379	2.7
95.70377	0.9
97.02927	1.7
97.06566	1.1
99.00852	4.2
99.04507	1.8
101.02442	17.7
107.01353	2.3
113.02464	9.6
117.03428	1.6
119.03481	4.0
119.05025	1.5
123.00868	3.1
125.02451	7.8
130.77277	1.0
131.03479	6.3
132.02089	1.3
137.02451	1.9
137.09718	3.0
142.17780	1.0
145.02937	7.3
149.04567	3.2
151.00322	2.3
155.10722	2.0
158.03703	1.5
160.01605	1.3
161.02307	1.3
161.04590	6.2
161.05841	1.5
163.00359	1.6
163.03996	2.4
165.12755	1.3
169.01418	5.6
169.06529	1.4
171.04410	1.7
172.01625	3.0
173.02414	1.8
177.01833	1.0
179.05548	1.9
187.00310	4.1
187.03874	1.2
188.01041	1.3
189.01965	2.1
191.03583	1.3
191.05476	2.6
197.02373	3.7
197.06110	1.5
198.03178	2.7
199.04041	2.8
200.01172	1.8
201.01831	2.0
202.99811	1.5
203.41859	1.0
205.12306	2.8
209.11839	5.8
211.03963	4.1
213.01865	1.3
213.09122	1.2
214.02608	2.9
214.99820	1.6
215.03355	2.3
216.00592	3.2
217.01314	3.1
221.15395	2.2
223.13258	1.3
224.04892	2.1
225.01994	5.3
225.05537	4.8
226.02586	3.5
226.06334	2.5
227.03554	7.6
227.07216	1.3
229.01320	2.4
229.04898	3.0
230.01941	1.1
233.01891	1.1
239.03381	3.6
239.16512	1.4
240.04214	6.0
241.01448	1.2
241.05008	3.1
241.08635	2.9
242.02150	14.9
242.04485	1.5
242.05727	2.2
242.99344	2.4
243.02896	6.2
244.00092	5.9
245.00795	2.8
246.51839	1.3
246.98756	2.2
252.04137	1.7
253.01360	4.4
253.04970	4.8
253.08763	1.4
253.13133	1.2
254.05798	4.2
255.02904	9.7
255.06297	2.8
256.03577	3.4
257.04492	2.0
257.08136	1.3
258.01633	2.6
259.99692	2.1
267.02933	4.2
267.06485	1.5
268.03729	5.2
268.07184	1.1
269.00836	10.7
269.04007	2.5
269.08072	4.5
270.01587	3.6
270.05179	4.4
270.98730	4.9
271.02438	3.4
271.06091	6.4
271.99472	4.7
272.03183	3.1
273.00311	4.9
273.03766	5.3
281.04562	1.7
281.08099	2.7
282.01752	2.3
282.05215	4.9
283.02463	6.8
283.05380	1.5
283.12601	1.5
283.15546	19.7
284.03116	2.4
284.15714	1.2
285.03839	2.5
285.07632	1.9
289.47791	1.2
296.03256	3.0
297.00278	7.0
297.03928	8.7
297.07639	8.6
298.01172	2.2
298.04697	6.1
299.01877	8.4
299.05487	6.9
300.02731	2.6
300.77267	1.2
301.03442	2.0
301.07031	1.2
310.01178	1.5
311.01837	1.4
312.02695	3.8
313.03659	2.2
313.07117	3.5
313.16599	11.8
316.99222	3.8
325.03433	14.3
325.07095	4.4
325.16531	1.9
326.04019	5.6
326.07578	1.7
328.05618	2.1
329.06488	2.8
329.10199	1.9
340.02106	1.9
341.06564	9.4
357.05551	1.7
357.09760	27.7
358.09979	3.6
369.06131	53.4
370.06400	6.3
373.09235	2.6
377.53171	1.3
383.00888	1.1
385.18414	1.8
401.08749	100.0
402.09167	11.3
409.20773	1.9
413.05109	8.1
432.87344	1.1
445.07727	38.8
445.15143	2.3
445.20389	9.8
446.08005	6.3
446.20947	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	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02003	1.0
53.36628	1.1
59.01383	100.0
68.15373	1.2
71.01376	2.2
90.51221	1.2
91.04012	4.2
91.81265	1.1
100.26327	1.3
107.06870	1.2
109.06583	1.3
111.08168	2.5
144.82835	1.1
150.82492	1.2
179.02306	1.1
197.11879	7.4
207.10269	3.8
257.58511	1.1
263.20108	1.4
291.19696	4.7
309.20691	13.8
310.21051	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46114	0.9
59.01380	100.0
60.01748	1.4
61.98811	1.1
71.50869	1.2
91.04000	3.7
96.95976	1.1
109.06590	2.0
197.11797	7.8
207.10239	3.1
273.00403	1.1
291.19568	3.2
309.20731	12.5
310.20801	1.3
443.19214	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1921
Annotation	Ixerisoside I
Peak:m/z	Relative Intensity
54.93437	0.9
55.01859	1.6
57.03437	1.0
58.00583	3.2
59.01380	100.0
69.03455	1.0
71.01383	69.2
71.51810	1.2
72.01704	1.3
72.74226	0.9
72.99299	4.5
73.02954	17.3
75.00863	1.5
76.46507	0.9
81.03500	1.0
83.01401	2.8
85.02952	12.7
87.00854	3.0
89.02448	93.6
90.02777	1.9
93.03467	2.2
95.01381	4.0
97.02954	1.7
99.00893	19.2
101.02445	42.9
102.02778	1.2
111.00874	1.1
113.02460	19.6
115.03969	1.4
119.03508	22.4
121.92150	0.8
125.02485	6.2
125.21964	0.9
131.03514	13.4
137.02396	1.2
140.44130	0.9
141.01646	0.8
143.03502	6.0
145.03030	0.9
149.04559	31.5
150.04843	1.3
161.04539	6.9
169.01407	1.4
179.05597	8.8
191.05605	7.7
203.09184	1.2
233.06583	2.6
251.07632	2.3
311.09323	1.1
311.14963	6.5
365.27209	1.0
443.19153	38.1
444.19528	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	443.1924
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01869	1.6
57.03432	2.3
58.00577	1.8
59.01380	43.6
60.99292	0.7
61.98837	2.9
69.03450	1.0
69.65694	0.6
71.01382	31.2
72.01713	0.7
72.99303	2.5
73.02960	4.9
73.83947	0.6
75.00866	1.6
78.95898	0.6
79.22163	0.6
81.85905	0.6
83.01382	5.2
83.05009	0.9
85.02948	12.6
87.00870	2.2
88.98800	6.1
89.02442	19.5
95.01369	2.7
95.04993	0.7
96.96001	0.6
99.00880	2.3
101.02436	23.8
107.01418	0.7
108.02188	0.7
109.02946	2.5
111.00882	0.8
111.04498	1.9
113.02448	12.4
119.03506	10.6
119.04995	2.4
120.65438	0.6
123.00894	1.5
123.04501	2.5
125.02462	3.5
126.02783	0.9
128.03552	1.0
130.30806	0.6
135.04486	1.7
137.02443	1.9
139.00343	1.2
143.03481	1.1
143.04582	0.7
149.04625	0.7
151.00441	0.6
152.01163	1.1
153.05568	1.7
159.02942	0.7
161.02423	1.2
161.04549	2.8
163.03972	2.3
164.73148	0.6
168.00664	1.3
169.01385	3.0
176.03888	0.8
179.03499	1.6
189.12856	0.9
191.05569	5.7
193.01563	0.7
193.05038	0.7
209.85089	0.7
211.02423	2.1
228.82397	0.6
237.14949	1.1
245.04646	0.6
271.04501	2.8
281.06738	1.1
291.07376	0.7
298.01730	0.6
315.05157	0.9
443.12170	8.1
443.19159	100.0
444.13528	0.9
444.19601	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	443.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01378	100.0
60.01719	0.9
61.98827	0.7
71.01379	4.3
73.02956	1.2
75.00883	0.9
85.02985	1.6
89.02463	2.3
98.20685	1.1
99.04586	0.7
101.02463	2.5
108.02216	1.8
109.02974	2.3
113.02454	1.0
131.03621	0.8
150.80557	0.6
152.01245	1.6
153.01945	2.9
161.04538	0.9
190.06841	0.6
207.10313	0.9
221.11827	0.7
265.03488	0.6
281.14178	0.9
311.15033	0.8
359.80328	0.7
407.04660	0.8
443.15402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1919
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01874	2.0
57.03437	1.9
58.00584	1.6
59.01382	41.5
61.98825	1.1
71.01382	31.9
71.51501	0.5
72.01714	0.5
72.99313	3.2
73.02948	5.8
75.00869	0.9
81.03499	0.5
83.01386	4.7
83.05043	0.5
85.02954	10.2
86.03296	0.5
87.00892	2.1
89.02447	21.6
90.02779	0.4
94.34635	0.5
95.01392	2.8
95.05029	0.4
97.02962	0.6
99.00881	1.8
101.02443	23.5
102.02780	0.8
108.02168	0.8
109.02946	1.1
111.00914	0.9
111.04528	1.5
113.02451	12.9
119.03497	8.6
119.04941	0.7
121.06584	0.7
123.00849	0.9
125.02451	2.8
128.03516	1.0
128.07085	0.5
131.03526	0.6
135.04527	0.8
137.02463	1.7
143.03508	0.9
147.79799	0.5
149.04500	0.6
149.99529	0.5
152.01169	0.5
159.03032	0.7
161.02489	0.9
161.04549	1.9
163.03986	0.9
164.01160	0.6
165.01956	0.6
167.03459	0.7
168.00630	1.6
169.01364	1.8
171.11787	0.8
179.03464	0.9
179.05603	0.8
189.12848	1.7
193.05005	0.5
199.03926	0.5
211.02469	0.8
215.03477	1.0
217.05042	1.0
219.03091	0.5
219.13887	1.1
227.03320	0.5
235.73598	0.5
237.14911	1.7
245.04619	1.4
263.12607	0.6
271.04654	1.3
275.05377	0.9
281.03027	0.4
287.05878	0.7
305.06729	0.5
367.08267	0.9
411.07086	0.5
418.51675	0.4
425.08899	0.4
443.10547	3.8
443.10635	3.6
443.19193	100.0
444.10223	0.9
444.19604	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	443.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
59.01381	31.5
61.98830	70.4
71.01387	41.4
71.05013	5.4
71.50451	4.8
73.02953	3.3
78.95906	4.6
83.62687	3.3
85.02954	9.3
89.02443	19.7
95.01418	4.2
96.96020	14.2
96.96979	14.4
101.02448	22.6
113.02454	8.5
119.03480	7.4
123.00894	4.3
125.02435	10.4
128.03558	4.1
135.04475	3.6
146.08234	48.9
158.66922	3.6
161.02423	6.8
163.03995	7.6
169.01390	10.4
211.02504	5.8
248.35197	3.2
271.04556	7.4
281.06662	4.5
308.13400	5.8
316.75043	3.5
323.13501	9.4
356.91275	3.3
380.15622	100.0
381.16107	7.1
443.11832	14.7
443.19211	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41181	0.7
61.87620	0.7
61.98831	100.0
68.32314	0.6
69.19432	6.7
96.67570	0.7
99.89307	0.6
109.14258	0.8
281.00351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.9
55.16396	0.5
59.01109	0.7
59.01380	7.7
61.98818	1.6
67.01894	0.8
69.37611	3.4
71.01385	8.2
71.05003	1.1
72.99306	1.1
73.02940	1.9
79.01888	1.3
82.81855	0.4
83.01372	1.4
83.27696	0.5
85.02943	3.7
87.00861	1.2
87.62296	0.4
89.02428	2.0
95.01384	2.2
97.02969	0.5
99.00854	1.1
101.02452	4.5
107.01390	4.8
107.04988	0.5
109.02941	0.7
111.00861	2.0
111.04527	2.3
113.02477	3.6
114.02771	0.5
117.03448	1.0
119.03512	0.6
119.05034	1.1
119.68089	0.5
123.00008	0.6
123.00894	13.4
124.01719	0.9
125.02460	23.3
127.00340	0.7
129.05557	1.2
135.04562	1.2
136.98776	1.2
139.00409	5.2
139.03957	0.5
140.01176	2.5
141.01935	1.4
145.02991	2.8
147.06664	0.6
149.20703	0.5
150.99211	0.7
151.00374	10.7
152.00804	0.7
153.01927	0.8
161.02434	1.1
163.03986	1.5
168.00653	2.9
169.01436	33.8
169.80878	0.4
170.01772	1.3
175.11232	1.1
177.09224	5.5
179.03499	1.0
209.08234	0.7
211.02419	2.2
219.10344	0.7
237.11308	1.0
253.03525	0.8
271.04550	3.2
281.10379	6.9
291.10880	3.0
313.05713	3.9
443.11865	100.0
444.12152	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	442.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36079	0.6
58.02966	0.8
59.01376	3.0
61.98830	100.0
69.03429	0.5
70.02783	1.1
70.03178	1.1
71.01391	2.0
73.02969	0.5
74.02475	1.8
79.11333	0.4
82.60661	0.5
83.01354	0.6
85.02961	1.0
86.02490	0.5
95.01362	0.5
95.12146	0.5
98.20599	0.5
99.00930	0.6
99.05652	1.4
101.02424	1.3
102.02746	0.6
102.92986	0.5
108.02184	0.5
112.24857	0.4
113.02470	1.2
119.05013	0.7
121.75565	0.5
123.00917	0.9
125.02380	2.4
128.03548	2.3
135.04535	0.5
142.20499	0.5
143.04601	4.3
146.04611	0.5
151.04079	0.4
159.45512	0.5
168.00659	0.7
169.01439	2.8
179.04680	0.9
210.08812	0.6
211.02499	2.2
227.07179	0.8
236.12239	0.7
254.07866	2.0
271.04520	2.7
272.08850	3.0
312.31342	0.6
318.88882	0.6
323.44400	0.6
331.06653	0.9
362.86859	0.6
382.18195	2.5
425.15027	0.6
442.10513	1.9
443.11093	4.4
443.16782	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	441.3372
Annotation	Topsentisterol A1
Peak:m/z	Relative Intensity
54.38333	0.2
58.47513	0.2
69.61738	0.6
69.62147	1.2
77.92923	0.3
82.15089	0.2
91.33375	0.3
96.27650	0.3
96.96004	0.6
98.19991	0.5
135.04498	0.4
136.05293	1.9
138.03171	0.4
143.05002	1.1
146.03728	3.6
147.04414	0.8
148.05263	0.4
149.06053	3.7
150.03223	0.8
159.04564	0.5
160.05249	0.9
161.06073	3.0
162.06847	1.4
163.07681	0.5
173.06165	0.3
174.03214	3.2
175.03920	1.0
175.07678	2.2
185.06114	0.3
188.04797	0.8
189.05544	2.8
189.09233	0.4
190.06322	0.6
190.09961	0.3
203.07147	3.7
204.07867	1.0
205.12355	0.4
217.08699	0.7
219.13928	0.6
233.15399	0.9
247.17050	0.5
261.18579	1.0
287.16934	0.5
287.20013	1.9
288.20877	0.4
301.21747	1.4
315.19693	0.4
315.23199	2.3
329.24838	1.4
330.04575	0.3
341.21222	0.5
343.26617	0.3
345.27869	0.4
355.22421	0.3
357.27869	0.7
358.28946	1.3
365.28540	0.3
369.23917	0.4
369.28156	0.4
371.29544	0.6
383.29572	7.6
384.30331	1.6
385.31006	0.5
390.27707	0.5
395.29248	0.3
397.31235	0.8
411.23532	0.5
411.28970	9.0
411.34186	0.5
412.29800	66.3
413.29977	10.0
413.34244	1.2
414.34634	0.5
423.32663	0.5
441.33710	100.0
442.34058	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
51.07636	0.5
52.72083	0.4
52.78937	0.5
59.01380	100.0
60.01716	2.0
61.98825	0.6
69.81275	2.5
71.01383	4.9
73.02952	1.6
83.01398	1.2
83.05004	0.5
85.02974	1.3
89.02457	2.1
95.01433	0.6
96.96014	0.4
98.19845	0.5
101.02474	2.9
113.02468	1.7
119.03514	0.9
123.08104	0.6
160.78792	0.5
161.04564	0.8
171.77547	0.4
198.47665	0.4
372.71307	0.4
381.22556	0.7
399.23920	1.4
441.15402	0.6
467.92007	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01716	1.1
69.31989	2.7
69.32400	1.0
69.94779	0.4
71.01375	4.5
72.99306	0.4
73.02956	1.6
83.01402	0.7
85.02955	1.1
89.02451	1.9
95.01385	0.6
101.02457	2.8
104.79952	0.4
113.02457	2.3
118.93660	0.4
119.03514	1.4
125.02489	0.5
143.03456	0.5
156.10486	0.5
161.04587	0.5
176.13936	0.5
328.26239	0.5
441.19595	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95737	0.4
94.90730	0.4
96.96003	2.8
98.19830	0.5
119.05011	0.5
129.03455	0.5
135.04510	1.7
136.05278	2.4
145.02940	0.6
146.03720	4.7
147.04523	12.8
149.06113	0.6
158.03703	0.6
159.04510	11.0
160.05028	0.7
161.02457	0.4
161.06081	3.0
162.06842	1.5
163.07570	0.8
171.04564	0.6
173.06078	0.9
174.03198	2.9
174.06828	0.8
175.03993	12.5
175.07622	5.7
176.04457	0.5
176.07973	0.4
185.06013	0.7
187.03943	0.9
188.04764	3.4
189.05540	2.8
189.09206	1.4
190.06313	1.0
203.07135	7.2
203.57596	0.4
204.07722	1.0
217.08684	1.2
244.09453	0.4
255.91409	0.4
277.25562	0.4
287.16699	0.4
287.20251	0.4
369.27966	3.5
370.28131	0.9
383.29495	3.2
384.30133	0.8
385.31061	0.6
389.77048	0.4
397.31409	0.5
411.28925	7.5
412.29785	43.7
413.30008	7.1
413.34259	0.6
423.32892	0.5
441.33698	100.0
442.34076	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	441.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02898	2.0
59.75613	2.1
61.91345	2.1
61.98830	2.1
62.63192	2.2
70.58686	1.7
73.91828	1.7
110.95370	1.9
122.03738	7.5
135.04504	4.4
213.53062	2.2
235.13437	10.9
262.84076	2.2
263.16458	9.4
264.06226	3.7
265.29614	2.0
275.16507	3.2
287.32834	2.3
289.18051	10.8
307.19193	6.2
355.22635	3.1
383.22266	2.0
405.26456	100.0
406.26721	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	441.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06348	1.4
52.36345	1.7
54.95165	1.4
55.01865	2.9
57.03432	1.7
59.01382	78.0
61.98835	15.3
71.01383	31.0
71.13255	1.5
72.99307	2.4
73.02948	13.7
76.75815	1.4
83.01387	5.5
85.02943	16.3
87.00865	2.4
89.02436	5.7
95.01357	2.4
99.00891	6.8
99.04527	2.2
100.32233	1.5
101.02455	39.6
103.02018	1.8
107.01421	1.9
108.02179	4.6
109.02963	6.1
113.02445	15.8
119.03487	1.6
119.05012	4.8
123.00881	4.4
123.04534	4.3
125.02462	16.8
127.04025	5.0
131.03499	45.3
137.02441	4.5
139.00427	2.3
143.03499	1.9
151.00380	3.2
151.04047	3.9
152.01166	3.8
153.01953	2.8
153.05594	2.1
159.02979	2.5
161.04582	10.1
161.05827	1.9
163.04048	5.8
168.93488	1.5
169.01419	20.6
169.08749	2.1
215.18970	1.7
219.10138	2.1
249.13431	100.0
250.13765	5.1
289.07172	8.1
303.04959	2.1
305.01727	1.9
313.05682	10.5
331.14063	1.7
348.18213	1.5
354.25702	1.6
381.17697	18.9
382.24771	1.6
413.65897	2.0
441.09937	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	441.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.5
57.03442	3.6
59.01383	89.9
61.98833	11.7
65.01436	1.0
67.59573	1.0
69.48200	1.7
69.48609	5.5
71.01010	2.0
71.01385	30.2
72.01738	1.0
72.99306	2.5
73.02956	11.3
75.33205	1.0
83.01384	8.1
85.02956	17.8
87.00849	1.3
87.08173	1.0
89.02441	6.3
95.01366	3.2
97.02943	1.8
99.00864	6.1
99.04524	1.1
101.02446	36.8
102.02754	1.0
107.01381	2.0
108.02180	6.2
109.02937	4.7
111.00890	1.5
111.04504	1.2
113.02455	13.9
119.04988	1.9
123.00888	2.8
123.04483	2.7
125.02447	16.8
127.04021	4.0
131.03513	46.0
132.03792	1.3
135.04530	1.6
137.02434	2.3
139.00394	2.1
143.03514	3.7
151.00345	2.0
151.04019	2.1
152.01170	6.0
153.01927	4.1
159.03050	1.6
161.04546	9.6
163.04056	3.7
168.00597	1.4
169.01443	18.9
169.08647	1.5
193.01427	1.8
203.07040	1.0
211.02390	1.5
229.15533	1.1
235.06068	1.5
241.03503	1.3
245.08183	1.3
249.13425	100.0
250.13782	7.9
279.04865	1.1
287.05603	1.5
289.07050	5.5
313.05695	7.1
381.17709	18.7
382.18292	1.4
397.11404	3.5
441.10144	21.2
441.17657	3.4
442.10385	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	441.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.8
57.03430	1.9
59.01377	63.0
61.24737	1.2
61.98829	19.8
67.01877	1.5
69.03453	1.6
69.77465	2.2
69.77868	7.0
71.01379	35.4
72.99310	3.4
73.02608	1.8
73.02956	17.5
79.01893	1.9
83.01376	15.0
85.02073	1.4
85.02950	25.4
87.00890	2.4
87.44735	1.3
89.02426	5.1
95.01365	5.2
96.95991	1.7
97.02940	1.9
99.00861	6.4
101.02436	44.5
103.04002	1.7
104.52065	1.3
107.01388	6.7
109.02943	2.3
111.00845	3.3
113.02454	16.8
115.03975	2.9
119.05019	9.3
122.57659	1.3
123.00878	17.0
124.01656	1.7
125.02447	22.6
126.02686	1.9
127.00389	1.7
129.05545	1.7
131.03503	1.9
136.98784	2.5
139.00333	7.1
140.01166	3.9
141.01913	1.6
141.61360	1.4
143.03474	2.5
151.00395	13.0
151.03984	1.7
159.02945	3.4
161.04549	12.3
163.03999	12.1
168.00575	4.4
169.01413	26.0
205.01363	1.5
211.02374	2.3
235.11867	80.2
236.12204	3.8
271.04669	1.5
289.07144	2.0
313.05649	3.0
331.65283	1.4
381.12592	2.7
381.17633	89.5
382.17822	9.9
441.10254	100.0
442.10519	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	441.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83564	1.6
55.01874	4.0
56.23283	1.5
57.03448	3.8
59.01382	75.6
61.98828	22.5
69.03468	2.3
69.46349	4.8
69.46770	7.3
71.01386	38.0
71.13251	2.1
73.02956	20.1
75.00883	1.6
75.86448	1.5
83.01401	14.1
85.02951	21.5
87.00893	3.0
89.02473	8.0
95.01405	4.5
96.96029	1.9
97.02973	1.9
97.83584	1.6
99.00903	8.6
101.02451	44.9
107.01385	2.8
108.02166	3.4
109.02972	4.4
111.00859	2.0
113.02445	16.3
115.04007	4.7
119.03547	1.8
119.05032	8.9
123.00886	8.1
125.02441	13.7
129.01913	1.7
135.32028	2.0
139.00395	4.0
143.03453	3.5
145.05019	1.8
151.00380	4.4
152.01135	3.8
155.03537	1.8
159.02991	1.7
161.04562	14.1
163.04027	9.1
168.00656	1.9
169.01390	12.7
215.05583	2.4
235.11867	98.5
236.12213	5.2
271.44946	1.8
313.05951	1.7
378.80688	1.5
381.17682	100.0
382.18094	9.1
441.10236	42.2
442.10544	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	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.6
57.03446	2.3
58.00592	2.5
59.01378	100.0
67.39450	1.2
71.01382	55.6
72.99316	3.1
73.02937	3.8
83.01385	3.2
85.02948	10.8
87.00907	1.4
89.02442	60.0
89.89603	1.2
95.01392	3.9
97.02939	2.0
98.20695	2.3
99.00886	1.2
101.02446	38.4
107.05031	3.0
109.02942	12.0
109.06580	1.4
113.02455	23.6
118.10125	1.1
119.03498	27.2
121.06499	1.4
122.03732	1.7
123.04524	2.6
124.05300	1.6
125.02431	9.6
131.03510	2.1
133.06601	13.7
137.02443	4.6
139.07654	16.7
143.03497	4.5
143.33157	1.1
148.05269	1.3
149.06023	2.5
151.04066	1.8
151.34076	1.3
154.45284	1.1
159.04475	1.5
161.04585	8.4
161.05841	2.0
161.78252	1.3
169.01421	7.4
169.08713	2.7
179.05571	5.9
187.11317	1.9
202.10109	1.7
203.07066	1.4
205.05023	1.6
205.12378	4.1
217.12291	5.4
229.41313	2.1
231.42540	1.1
235.13422	3.1
245.08116	3.8
289.07190	14.0
330.13116	24.6
331.13870	14.4
393.58151	1.4
397.18604	3.8
403.24255	1.5
441.07941	2.9
441.17636	67.7
442.17886	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	439.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38993	0.6
71.50050	0.7
93.21577	0.6
119.05007	1.2
129.03445	0.9
135.04526	1.6
136.05293	2.5
146.03743	6.9
147.04535	14.3
148.04988	0.8
149.06021	1.4
159.04527	13.0
160.05147	1.3
161.06042	3.4
162.06885	1.5
163.07593	0.8
171.04404	0.8
173.06036	2.1
174.03201	2.9
175.03999	14.0
175.07611	7.1
185.06035	1.2
188.04744	3.7
189.05540	3.2
189.09175	1.6
190.06375	1.2
203.07153	8.8
204.07626	1.2
207.02362	0.6
217.08640	1.0
353.21310	1.0
367.26331	5.1
381.27997	2.7
382.28140	1.2
409.27444	8.4
410.28220	44.0
411.28363	6.1
439.32147	100.0
440.32526	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	441.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89734	5.2
59.01375	10.9
61.98834	18.0
69.54238	9.1
69.54646	23.7
71.01376	11.3
78.95935	7.8
80.55286	5.1
87.00904	6.1
87.58643	4.8
96.96018	12.9
96.96938	8.1
98.95580	5.2
101.02433	10.0
106.52368	5.1
125.02435	8.8
134.04747	11.8
160.04021	8.4
161.04509	9.0
164.01122	5.8
165.01915	18.4
169.01399	5.4
177.01961	7.2
179.03490	35.9
180.04298	26.2
194.05838	24.9
195.06619	100.0
196.06912	7.4
225.07684	45.4
241.07285	5.8
260.45828	5.6
271.04529	7.0
280.74811	5.5
313.05414	5.8
357.11917	34.6
441.11157	12.3
441.16354	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	441.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
57.03450	1.9
58.00573	4.7
59.01381	100.0
62.22420	1.2
70.65334	1.1
71.01385	53.3
71.22426	2.6
72.99297	3.8
73.02939	2.8
83.01388	3.4
85.02946	11.7
87.00872	2.8
87.77495	1.3
89.02448	56.4
90.58366	1.4
93.35847	1.5
95.01369	4.0
97.02888	1.2
99.00854	2.1
101.02445	40.8
107.01420	1.9
109.02950	20.8
113.02445	22.5
119.03512	26.0
119.05016	33.2
122.03696	1.8
123.00896	2.9
123.08093	1.4
125.02451	6.7
131.03537	2.5
133.05077	1.6
135.08148	2.2
137.06029	2.9
139.00365	1.3
139.07629	1.7
143.03444	3.8
145.03027	1.7
148.05334	1.8
149.04553	2.1
149.06012	2.5
151.00316	1.8
153.01886	1.9
161.04532	4.9
163.04015	41.8
163.07632	2.3
164.04285	1.9
168.00812	1.2
169.01430	8.4
179.05620	4.3
187.11246	4.5
199.11214	1.9
202.09914	4.1
202.13005	1.2
204.11478	3.6
205.12323	14.0
217.12357	11.1
218.12727	1.5
235.13338	6.4
249.13420	4.6
261.11343	12.7
262.11514	2.3
313.05640	2.8
325.09171	3.8
330.13000	2.8
379.17786	2.2
397.18591	22.6
398.18900	3.8
441.10233	8.3
441.18045	38.7
442.18027	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	439.3218
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
52.86660	0.4
61.17089	0.4
63.04868	0.4
70.33110	0.5
70.33459	1.3
79.42321	0.4
98.43237	0.4
135.04497	0.4
136.05345	2.1
138.03247	0.6
143.05002	1.0
145.03017	0.4
146.03731	3.9
147.04527	0.8
148.05209	0.5
149.06059	3.6
150.03221	0.5
159.04486	0.7
160.05247	1.2
161.06088	3.5
162.06804	2.0
163.07545	0.7
173.06004	0.6
174.03233	4.2
174.06781	0.5
175.03983	1.0
175.07646	3.0
176.04700	0.7
185.06134	0.5
188.04747	1.0
189.05566	3.5
189.09200	0.9
190.06265	1.1
203.07130	5.4
203.10764	0.5
204.07822	0.8
217.08661	0.9
218.09566	0.5
219.13875	0.7
220.03577	0.5
222.05331	0.6
231.10271	0.5
245.11884	0.9
259.17041	0.8
273.14929	0.8
273.18552	0.5
287.16470	0.6
327.23376	2.4
367.26437	0.7
381.28156	7.6
382.24524	0.7
382.28625	1.4
392.27255	0.5
395.29517	1.5
409.27432	10.3
410.28232	69.4
411.28479	11.4
411.32529	1.0
421.31351	0.7
439.32156	100.0
440.32532	18.3
464.34076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34138	0.4
68.90746	0.3
69.15419	3.9
89.66154	0.4
99.92554	0.4
103.54861	0.4
118.08489	0.3
135.04465	0.6
136.05298	2.0
138.03125	0.4
143.04974	0.8
145.02896	0.4
146.03726	3.2
147.04440	0.9
148.05272	0.5
149.06067	4.3
150.03217	0.8
159.04453	0.8
160.05226	0.8
161.06059	3.1
162.06812	2.0
162.24663	0.4
163.07564	0.7
169.62860	0.4
173.05925	0.8
173.42574	0.4
174.03223	3.2
175.04001	0.8
175.07607	2.5
176.04721	0.7
185.05997	0.5
187.04094	0.6
188.04770	1.0
189.05566	3.2
189.09163	1.1
190.06259	1.1
201.05556	0.6
203.07114	5.7
203.10684	0.7
204.07750	0.9
205.12294	0.4
217.08635	0.9
222.05399	0.5
231.10327	0.4
245.15358	0.6
255.53551	0.4
259.13394	0.7
259.17242	0.4
299.17218	0.4
299.20032	2.1
313.18063	0.7
325.21747	0.5
327.23340	0.6
353.21103	2.4
355.26443	0.6
356.27103	0.7
367.22614	0.5
369.28043	1.0
381.23932	0.7
381.28070	7.3
382.28848	1.8
383.29617	0.8
395.29721	1.0
409.27460	10.5
410.28217	75.8
411.28497	11.9
411.32590	0.8
421.31067	0.5
439.32138	100.0
440.32501	16.7
440.37161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15230	0.7
59.01383	100.0
60.01715	1.5
61.98840	0.8
70.66559	0.7
71.01380	5.6
71.52447	1.2
73.02956	1.2
80.38774	0.7
83.01370	1.5
85.02970	2.6
89.02448	5.3
96.96046	0.9
99.00925	0.8
99.96889	0.6
101.02463	4.1
108.10590	0.7
113.02492	3.3
119.03523	2.1
137.06116	4.1
156.49133	0.7
169.01357	0.8
181.05029	5.8
255.39589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
70.38993	0.6
71.50050	0.7
93.21577	0.6
119.05007	1.2
129.03445	0.9
135.04526	1.6
136.05293	2.5
146.03743	6.9
147.04535	14.3
148.04988	0.8
149.06021	1.4
159.04527	13.0
160.05147	1.3
161.06042	3.4
162.06885	1.5
163.07593	0.8
171.04404	0.8
173.06036	2.1
174.03201	2.9
175.03999	14.0
175.07611	7.1
185.06035	1.2
188.04744	3.7
189.05540	3.2
189.09175	1.6
190.06375	1.2
203.07153	8.8
204.07626	1.2
207.02362	0.6
217.08640	1.0
353.21310	1.0
367.26331	5.1
381.27997	2.7
382.28140	1.2
409.27444	8.4
410.28220	44.0
411.28363	6.1
439.32147	100.0
440.32526	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	439.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
58.70609	0.8
59.01380	100.0
60.01721	1.5
61.98842	1.6
62.11827	0.7
71.01381	12.8
73.02946	7.1
82.12675	0.9
83.01382	1.7
85.02946	3.0
89.02450	7.1
96.96024	1.0
98.20702	1.6
101.02454	9.1
113.02486	4.6
119.03532	1.9
152.02103	0.8
161.04594	1.5
180.31030	0.9
379.20905	1.9
397.22037	4.0
398.22540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69994	1.2
57.03428	1.6
59.01379	100.0
62.00392	1.6
66.21076	1.3
69.34277	9.7
71.01379	28.3
72.99319	1.8
73.02935	2.9
76.20510	1.2
76.78057	1.2
83.01370	2.6
85.02970	6.7
87.00875	1.5
89.02443	41.7
95.01360	2.1
96.96004	2.1
98.20724	2.4
101.02441	21.2
108.02174	3.2
109.02950	1.5
113.02451	14.4
119.03503	11.0
119.62350	1.2
122.03741	3.8
125.02441	5.5
129.02010	1.4
131.03494	40.7
143.03497	4.1
149.02469	8.7
149.04517	13.6
150.03224	17.0
151.03868	1.8
152.01138	2.3
153.01921	1.5
153.09137	3.2
161.04510	4.6
165.01956	8.2
165.05568	18.8
169.01398	6.8
179.05614	16.9
180.04251	5.4
183.02945	12.6
185.51613	1.2
191.05579	6.3
195.06609	31.6
196.06981	1.9
209.05772	1.3
247.11815	18.0
251.07739	1.6
255.12376	3.5
274.01242	1.7
276.01703	3.1
276.81180	1.2
331.11923	1.8
379.16107	9.9
391.13831	5.2
395.07642	4.2
439.08441	10.9
439.17023	3.3
440.09158	2.5
440.17676	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95568	0.3
69.24483	0.3
70.34686	0.8
78.95903	45.8
79.95737	1.0
84.99409	0.4
96.96004	43.2
96.96951	100.0
122.48409	0.3
125.02425	0.4
169.01350	0.4
439.08649	1.4
450.80838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	7.0
67.01910	1.4
68.99835	0.9
69.03442	1.6
71.01381	9.9
73.02948	1.9
73.89351	0.7
75.00859	0.7
79.01885	0.8
79.64116	0.6
81.03445	1.3
81.36076	0.7
83.01387	0.8
85.02949	2.1
87.00889	1.1
89.02456	4.8
95.01395	2.9
97.02942	5.0
99.00870	1.3
101.02458	4.1
107.01396	9.8
108.02171	17.0
109.02976	10.8
111.00904	0.8
113.02448	2.2
119.03459	1.0
123.00893	7.3
124.01678	1.3
125.02442	63.2
126.02778	2.9
128.52528	0.7
137.02446	1.0
138.31015	0.7
139.00386	2.1
140.01149	1.6
141.01971	1.4
142.40805	0.6
149.04576	1.9
151.00371	4.4
151.03972	0.9
152.01147	18.0
152.02382	1.0
153.01941	7.5
155.44408	0.6
163.03954	0.8
165.01888	0.7
168.00632	2.1
169.01416	78.9
170.01750	4.1
211.02509	1.8
212.83528	0.8
221.11804	2.1
241.03487	2.9
309.22153	0.7
313.05627	20.0
314.06000	1.8
315.07181	8.4
362.27414	0.8
379.16104	4.1
439.08768	100.0
440.09052	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	439.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30057	0.3
59.01379	0.4
66.76026	0.3
70.97366	0.8
71.01389	0.4
78.95909	21.2
79.95734	2.0
96.96021	100.0
96.96970	44.1
115.02129	0.6
117.01969	2.7
135.50754	0.3
140.91650	0.3
145.01440	0.6
199.79987	0.4
207.05128	1.0
233.04720	1.1
277.59268	0.4
421.07721	0.4
439.08789	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	439.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30057	0.3
59.01379	0.4
66.76026	0.3
70.97366	0.8
71.01389	0.4
78.95909	21.2
79.95734	2.0
96.96021	100.0
96.96970	44.1
115.02129	0.6
117.01969	2.7
135.50754	0.3
140.91650	0.3
145.01440	0.6
199.79987	0.4
207.05128	1.0
233.04720	1.1
277.59268	0.4
421.07721	0.4
439.08789	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	439.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79332	0.3
59.01375	0.7
68.11147	0.3
68.78432	0.3
69.12678	3.7
71.01391	0.5
78.95903	47.4
79.95736	1.1
89.02424	0.4
96.96014	41.5
96.96964	100.0
112.98769	0.4
117.01968	0.4
125.02448	1.0
135.03006	0.4
170.60953	0.4
439.09085	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	438.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54352	0.6
59.93737	0.5
61.98829	100.0
66.74068	0.5
68.49741	0.7
69.18362	5.4
72.29870	0.7
80.36109	0.5
109.53548	0.6
112.92377	0.7
135.65582	0.6
337.54602	0.5
401.10928	0.7
424.80988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29637	1.2
51.03780	1.0
61.45762	1.1
61.98832	100.0
69.36417	7.7
107.57571	1.2
177.46678	1.2
213.71542	1.1
241.65100	1.2
304.22464	1.1
375.92224	1.1
384.89307	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71196	1.2
52.87051	1.3
61.98830	100.0
63.79650	1.1
68.77402	1.1
68.87948	1.3
101.12035	1.4
107.05022	3.2
122.03767	1.6
176.99632	1.3
198.54282	1.3
229.48195	1.3
241.47087	1.3
411.25409	1.8
439.28677	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	438.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15697	1.2
50.76692	1.2
51.21084	1.2
61.98831	100.0
70.98065	3.2
72.68431	1.9
83.13113	1.1
92.07216	1.5
125.62184	1.2
161.02405	1.5
437.90317	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	438.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19506	0.7
52.67215	0.8
61.98830	100.0
74.38523	0.7
79.39027	0.7
81.02643	0.7
153.89526	0.7
240.58595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.32703	0.8
61.75482	0.8
61.98830	100.0
89.99014	0.8
98.19855	1.6
111.17822	0.9
113.27646	0.9
114.21606	0.8
120.25736	0.9
192.12114	1.0
432.30722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31698	0.5
59.01382	0.8
61.98830	100.0
68.64757	0.6
71.01383	0.8
78.95918	6.2
87.00924	0.7
96.96017	11.2
96.96957	13.8
108.85834	0.6
116.55828	0.6
125.02467	2.9
134.95750	0.6
169.01456	2.3
180.27167	0.6
198.58519	0.6
275.01517	1.3
407.64169	0.6
426.24295	0.6
438.07327	0.9
439.08923	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	438.198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56303	1.1
59.01366	5.0
61.98831	100.0
71.01402	1.0
71.28509	2.2
79.09477	1.1
96.78090	1.1
125.34157	1.2
173.88203	1.2
284.84033	1.3
313.45718	1.2
358.59842	1.4
375.20074	6.8
376.20721	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	438.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
67.80119	1.2
69.20903	12.3
69.21315	3.1
108.17646	1.3
365.27008	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67488	0.4
62.85036	0.4
68.95995	0.4
79.90796	0.4
105.07027	0.5
119.05068	0.5
122.03741	0.5
135.04535	1.7
136.05307	2.3
143.05051	0.5
143.44363	0.4
145.02975	1.2
146.03737	5.6
147.04527	14.5
148.04916	0.6
158.03743	0.5
159.04507	14.0
159.05818	0.8
160.05078	1.7
161.06062	4.4
162.06848	2.1
163.07654	0.7
171.04538	0.7
173.06059	1.7
174.03239	2.4
174.06787	0.7
175.04007	12.4
175.07610	7.2
176.04485	0.9
176.08018	0.6
185.06029	1.2
187.03958	1.1
188.04758	3.5
189.05589	3.1
189.09215	1.9
190.06313	1.1
201.05553	0.7
203.07127	8.7
204.07680	0.8
217.08627	0.9
217.12164	0.6
231.10223	0.7
259.13312	0.5
259.17178	0.6
273.15100	0.6
286.15540	0.5
287.16446	0.5
301.18045	0.5
311.20248	0.5
339.19763	0.4
349.46173	0.4
353.21112	0.6
365.24829	3.5
379.26492	3.5
380.27118	0.6
393.24164	0.5
407.25909	6.7
408.26669	37.4
409.26880	5.8
437.30588	100.0
438.30923	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	437.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28316	0.3
69.13416	2.9
89.49091	0.3
91.93498	0.3
105.60534	0.3
130.10971	0.3
135.04465	0.3
136.05312	1.8
143.05013	0.9
145.02948	0.5
146.03737	3.3
147.04527	1.4
149.06084	2.3
150.03163	0.5
156.05795	0.3
159.04526	1.1
160.05276	1.1
161.06084	4.4
162.06906	1.8
163.07674	0.3
172.05307	0.4
173.06029	0.5
174.03218	4.5
174.06885	0.4
175.04027	1.7
175.07640	2.0
176.04633	0.3
184.98647	0.3
185.06107	0.5
187.04077	0.6
187.07637	0.4
188.04753	1.2
189.05588	3.3
189.09154	0.6
190.06366	1.7
190.10017	0.5
191.10727	0.4
201.05556	1.0
202.06288	0.7
203.07140	6.0
203.10793	0.8
204.07770	1.1
208.76666	0.3
215.10670	0.4
217.08705	0.9
217.12318	0.5
218.09373	0.9
222.05280	1.0
231.10226	1.1
234.16112	0.4
245.11778	1.0
245.15463	0.4
247.17006	0.5
257.11774	0.3
259.13330	0.6
273.14883	0.9
287.16550	0.6
288.16910	0.3
299.19955	0.5
301.18060	0.6
304.66339	0.3
325.21664	0.5
327.19559	0.4
339.23309	0.9
353.21323	1.4
353.24863	0.5
365.24911	0.8
367.26398	0.6
369.24524	0.3
379.22086	0.5
379.26505	5.8
380.26840	0.9
393.23999	0.7
393.28415	0.6
406.83911	0.3
407.25821	8.8
408.26660	65.3
409.26901	9.6
419.29315	0.5
437.30573	100.0
438.30923	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	437.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
62.71421	0.3
71.33923	0.5
105.60477	0.3
136.05301	1.6
143.04932	0.9
146.03746	2.6
147.04381	1.0
149.06062	2.1
159.04399	0.6
160.05171	1.3
161.06090	4.4
162.06842	1.6
163.07443	0.4
169.10017	0.3
173.05981	0.5
174.01994	0.4
174.03218	4.0
174.06818	0.4
175.03864	1.2
175.07655	2.5
176.04739	0.4
185.05980	0.5
187.03925	0.4
188.04652	1.1
189.05580	3.7
189.09126	0.9
190.06221	1.2
190.09834	0.4
200.08214	0.3
201.05562	0.5
202.06241	1.3
203.07129	5.3
203.10689	0.7
204.07747	0.9
215.10596	0.3
216.07806	0.4
217.08566	1.0
217.12367	0.5
218.09383	0.8
222.05185	0.9
231.10210	1.0
231.13858	0.6
244.10838	0.5
245.11723	0.9
245.15427	0.4
259.13293	0.7
259.17099	0.5
260.13922	0.4
273.14893	1.1
273.18359	0.4
285.18381	0.5
286.38632	0.3
287.16354	0.9
299.19955	0.5
312.20984	0.4
313.21640	0.5
325.21591	0.6
339.19452	0.7
339.23331	0.7
341.21176	0.9
353.21082	1.1
353.24884	0.5
354.21561	0.4
354.25562	0.5
365.20865	0.6
365.25037	0.5
379.26541	4.0
380.26953	1.2
381.28192	0.5
393.23792	0.5
393.28165	0.5
407.25864	8.5
408.26654	64.5
409.26938	9.3
419.29938	0.5
422.28342	0.4
428.99548	0.3
437.30585	100.0
438.30917	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	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.5
57.03442	4.4
57.71021	1.1
58.00599	1.5
59.01381	45.9
65.91565	1.1
69.03458	2.0
70.52248	3.0
71.01384	69.1
72.99301	3.4
73.02945	38.5
74.03295	1.1
75.00903	1.4
83.01388	14.7
85.02948	35.0
86.00099	2.3
87.00875	5.1
89.02436	14.9
95.01386	4.4
96.95989	1.6
97.02951	3.1
99.00883	16.1
101.02442	71.2
111.00875	3.5
113.02448	27.8
114.02736	1.5
115.04008	2.2
125.02441	4.4
125.12745	1.1
129.01938	2.0
131.03490	3.9
132.83966	1.1
143.03528	3.4
149.04559	3.1
152.99550	2.3
159.02943	6.1
161.04556	21.3
171.10284	1.9
191.05627	1.1
191.25777	1.0
209.11827	5.8
221.29996	1.0
233.06679	3.1
305.19690	100.0
306.20065	11.6
437.04999	2.4
437.23892	91.5
438.24167	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	437.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11574	0.3
66.33541	0.3
69.31108	0.3
69.31445	2.2
95.58150	0.2
113.41012	0.2
117.07671	0.2
119.04961	0.4
122.03648	0.3
129.03438	0.6
131.05025	0.3
131.40729	0.3
135.04546	2.1
136.05290	2.4
143.04994	0.3
145.02885	0.8
146.02658	0.3
146.03751	5.8
147.04532	14.8
148.04919	0.5
149.06027	0.9
150.03163	0.3
158.03622	0.6
159.04520	12.0
160.05057	1.3
161.02487	0.4
161.06084	3.6
162.06920	1.7
163.07587	1.1
168.46671	0.3
171.04501	0.6
172.05208	0.4
173.02356	0.3
173.06056	1.7
174.01967	0.3
174.03229	3.3
174.06689	0.6
175.04013	12.7
175.07634	6.4
176.04369	0.9
176.07951	0.5
181.80807	0.3
185.06020	1.0
187.03928	1.1
188.04817	3.8
189.05559	3.0
189.09193	1.6
190.06354	1.4
201.05519	0.8
203.07141	9.4
203.10835	0.3
204.07530	0.7
213.08807	0.3
217.08643	0.8
217.12286	0.5
220.03772	0.5
231.10170	0.4
231.13911	0.4
245.11769	0.6
245.15485	0.4
259.13409	0.4
267.22452	0.3
269.24878	1.6
273.14941	0.5
287.16473	0.3
353.21173	0.6
365.24835	4.1
366.25296	0.4
367.22833	0.4
379.26511	3.0
381.27835	0.5
393.24030	0.4
407.21481	0.2
407.25858	8.6
408.26697	41.0
409.26987	5.8
419.29205	0.3
437.30634	100.0
438.30945	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	437.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.5
57.03442	4.4
57.71021	1.1
58.00599	1.5
59.01381	45.9
65.91565	1.1
69.03458	2.0
70.52248	3.0
71.01384	69.1
72.99301	3.4
73.02945	38.5
74.03295	1.1
75.00903	1.4
83.01388	14.7
85.02948	35.0
86.00099	2.3
87.00875	5.1
89.02436	14.9
95.01386	4.4
96.95989	1.6
97.02951	3.1
99.00883	16.1
101.02442	71.2
111.00875	3.5
113.02448	27.8
114.02736	1.5
115.04008	2.2
125.02441	4.4
125.12745	1.1
129.01938	2.0
131.03490	3.9
132.83966	1.1
143.03528	3.4
149.04559	3.1
152.99550	2.3
159.02943	6.1
161.04556	21.3
171.10284	1.9
191.05627	1.1
191.25777	1.0
209.11827	5.8
221.29996	1.0
233.06679	3.1
305.19690	100.0
306.20065	11.6
437.04999	2.4
437.23892	91.5
438.24167	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	437.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03458	1.2
59.01380	100.0
60.01729	1.2
61.98832	2.9
69.03462	1.7
71.01384	20.6
72.99319	1.0
73.02945	10.7
83.01385	3.7
85.02956	10.4
87.00885	1.1
89.02444	6.5
92.90530	0.6
95.01417	1.8
97.02982	1.2
97.51348	0.6
98.19846	1.2
99.00871	3.4
101.02441	20.0
113.02443	9.3
119.03522	2.3
119.32796	0.7
125.02445	1.3
131.03493	6.6
143.03531	1.2
159.03035	1.3
161.04547	8.3
161.36191	0.6
165.19385	0.6
169.01454	1.5
185.01003	0.8
190.35519	0.6
201.11363	0.8
218.02261	0.8
274.01324	1.0
305.19696	21.2
306.20227	2.2
311.03677	0.7
437.05429	1.0
437.24219	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	39.3
68.69792	7.5
69.26646	59.6
69.27052	14.5
71.01371	23.9
74.71032	7.8
85.02969	14.7
89.02423	8.5
95.01371	9.2
96.04572	9.4
98.20724	14.9
101.02438	12.0
108.02206	44.9
109.02943	34.5
112.15213	9.4
113.02436	11.0
115.92084	78.4
116.92884	54.2
119.05053	23.0
120.51308	8.0
123.00859	17.5
123.04475	18.3
125.02447	43.7
140.03542	31.8
151.00366	11.4
152.01169	66.9
153.01938	37.0
161.04492	9.7
163.03999	21.5
169.01410	42.7
179.54689	8.6
189.01984	8.6
210.97025	14.6
212.72383	8.6
218.02069	9.6
228.98059	25.4
229.01489	9.5
231.02916	8.3
242.22282	8.3
257.00787	18.5
274.01248	68.2
275.01849	50.7
332.50220	8.7
384.89096	8.6
387.28223	9.2
401.10767	24.7
407.00571	15.0
437.06235	100.0
437.11530	47.3
438.10629	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1103
Annotation	Fortuneanoside J
Peak:m/z	Relative Intensity
57.03462	0.5
59.01381	2.4
62.96654	0.4
68.94750	0.4
68.99812	0.4
69.03467	0.6
71.01384	1.5
71.50175	0.4
72.99329	1.5
75.00877	7.8
83.01398	0.9
84.99332	0.8
85.02972	0.8
89.02440	0.5
93.03461	3.5
94.92528	2.1
95.81960	0.4
99.00893	1.6
99.04510	0.5
100.51809	0.4
103.00378	4.2
109.02965	0.4
111.00886	5.2
111.04542	1.4
112.98814	9.5
113.02424	0.6
115.00370	0.5
117.01955	0.7
124.98782	0.6
129.01956	0.8
137.02435	0.9
142.99858	1.6
143.03575	0.4
145.01430	0.9
146.13956	0.4
155.03508	0.5
157.01451	0.6
173.00943	0.8
173.04559	1.8
187.02509	0.5
191.05597	2.3
199.04172	4.9
216.05508	0.9
217.05229	21.6
218.05664	0.8
263.05829	0.8
289.03796	6.9
289.07062	0.9
290.04193	0.5
301.07358	1.6
302.04562	1.1
306.03967	0.5
306.19180	0.4
317.06955	1.7
345.06421	4.9
437.11139	100.0
438.11554	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	437.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68437	0.5
56.11245	0.5
57.03435	0.5
59.01111	0.8
59.01380	9.8
63.52536	0.5
67.01838	0.5
71.01389	4.2
71.05542	0.8
71.05883	0.5
72.99298	0.9
73.02974	0.5
76.32410	0.5
83.01373	0.8
85.02930	1.7
89.02438	2.5
93.03460	0.7
95.01406	0.6
101.02462	2.5
107.01384	3.8
108.02188	0.7
109.96777	0.5
110.00123	0.6
111.00900	1.8
113.02445	1.1
123.00897	2.3
124.01672	2.8
125.02449	27.0
126.02760	1.3
127.00369	1.1
128.03514	0.5
136.98798	1.3
137.02470	1.0
139.00386	2.3
139.04045	0.8
140.01134	3.0
151.00356	1.5
152.01140	0.9
153.01778	0.8
165.01927	0.7
167.00034	0.5
167.03467	2.2
168.00639	14.7
169.01421	41.0
170.01730	1.4
183.03033	0.9
211.02483	70.6
211.34746	0.5
212.02832	3.4
241.03583	1.5
271.04587	100.0
272.04947	6.0
331.06717	12.0
332.07019	1.1
436.22723	0.6
437.10834	32.9
437.23602	3.4
438.11047	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	437.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53207	0.5
55.95563	0.4
59.01378	1.2
61.98803	0.5
67.01884	1.0
69.03455	0.7
70.63918	1.2
71.01381	3.9
73.02964	0.7
74.58944	0.4
77.52109	0.5
79.01913	1.0
81.03464	0.5
83.01421	0.7
85.02966	1.5
93.03456	5.6
95.01406	1.9
95.30183	0.5
97.02975	0.9
99.00862	0.6
101.02449	2.1
107.01390	9.2
107.05031	0.6
110.00079	0.5
111.00896	2.1
112.27094	0.5
113.02470	2.1
115.92099	1.8
116.92847	1.0
121.02962	25.2
122.03316	0.7
123.00898	12.9
123.04530	26.3
124.01681	1.9
124.04892	1.1
125.02451	49.9
126.02805	1.9
127.00401	0.6
131.99165	0.5
132.44908	0.5
136.98833	0.8
137.02451	0.6
139.00386	4.6
140.01155	2.6
141.01936	1.3
151.00365	11.0
163.04066	0.9
168.00645	3.7
169.01428	69.0
170.01715	2.9
179.03510	0.6
191.26279	0.5
195.87711	0.5
211.02492	1.3
225.19470	0.5
241.03450	0.7
246.97063	0.5
253.03584	1.3
313.05655	23.9
314.06091	2.3
357.00598	1.5
404.64536	0.5
437.10892	100.0
438.11200	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	437.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33253	0.4
57.03436	0.4
59.01379	3.3
61.98816	1.0
67.01907	0.9
68.99799	0.5
69.03452	1.0
71.01392	4.7
72.99317	0.7
73.02951	0.9
74.99087	0.5
79.01893	1.0
81.03473	0.6
83.01425	0.9
85.02933	1.4
86.60976	0.4
89.02446	1.2
89.64938	0.4
93.03464	7.3
95.01379	2.5
97.02948	1.3
99.00903	0.5
99.92605	0.9
101.02458	2.1
107.01395	10.4
108.02191	0.6
109.02975	0.7
111.00864	1.9
113.02415	2.2
115.92064	3.6
116.92873	1.8
119.05026	1.2
120.99652	1.0
121.02962	26.5
122.03297	0.9
123.00902	11.2
123.04533	25.4
124.01656	1.9
124.04824	0.9
125.02452	50.8
126.02805	2.0
127.00375	1.2
133.16798	0.5
136.98872	1.6
137.02452	3.6
139.00374	5.5
140.01176	2.9
141.01910	1.6
145.02943	0.8
151.00375	8.7
153.01917	1.4
163.04018	0.5
165.01997	0.7
167.03488	0.5
168.00671	2.8
169.01430	65.4
170.01773	3.6
171.66132	0.5
179.03474	1.0
190.02728	0.5
198.74219	0.4
201.11330	5.3
205.01460	0.5
210.97015	0.8
211.02489	1.2
216.17780	0.4
217.04906	0.5
223.02594	0.7
241.03580	1.3
246.97098	0.7
253.03458	0.8
253.09413	0.6
257.00977	0.6
271.04633	0.5
274.01224	1.6
275.01913	3.5
313.05658	26.2
314.06082	1.8
357.00641	3.8
358.00989	0.5
437.10934	100.0
438.11230	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	437.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68567	0.6
55.42773	0.8
59.01382	3.5
61.98827	0.9
71.01364	2.2
78.95887	0.7
89.02460	1.3
96.96949	1.5
101.02447	0.9
108.02187	0.9
109.02941	0.9
113.02462	1.0
115.92074	2.3
118.71847	0.7
119.05072	0.9
123.04485	0.9
125.02429	4.9
127.19773	0.7
138.32730	0.6
145.02950	1.5
163.03969	1.2
169.01424	1.7
173.02434	0.7
175.03941	1.2
185.02405	0.8
189.01938	2.7
190.02693	10.4
191.03429	1.5
200.01080	1.4
201.01894	2.3
202.02640	3.1
203.03479	3.5
217.01363	1.7
218.02184	10.8
219.02827	2.2
221.11819	3.1
222.01683	1.2
228.00577	2.6
229.01430	7.5
230.01965	0.7
231.02951	1.8
245.00853	2.4
246.01631	1.7
247.02515	2.2
256.00241	1.4
257.00916	13.0
258.01685	3.2
273.00452	2.0
274.01184	60.3
275.01953	77.2
276.02356	6.3
294.41125	0.7
357.08215	1.8
401.18320	1.1
437.07190	100.0
437.15775	7.5
438.07565	11.3
438.14410	1.0
438.16064	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.9
61.98831	1.7
69.69584	4.8
71.01371	2.0
73.02946	1.3
85.02930	0.9
89.02438	2.4
100.70739	0.8
101.02439	1.1
107.01334	0.7
108.02160	1.8
109.02958	2.7
110.43016	0.8
113.02427	1.5
114.57816	0.7
117.51611	0.9
120.99641	0.9
123.00902	1.9
123.56572	0.9
125.02434	3.7
143.55936	0.9
146.03778	1.1
153.01945	3.8
166.05074	1.9
168.00644	1.2
169.01425	5.4
177.01822	1.1
179.03630	0.9
189.01933	6.1
190.02710	19.1
198.77921	0.8
200.01089	2.1
201.01846	1.1
201.11247	0.9
202.02664	5.1
211.02460	2.4
217.01471	1.3
218.02170	19.7
219.02544	1.1
222.01703	2.1
222.75105	0.9
228.00639	6.8
229.01373	5.1
245.00897	2.9
246.01678	4.5
256.00092	2.9
257.00916	10.2
258.01297	1.7
266.47638	0.9
271.04565	3.9
273.00330	2.8
274.01181	98.1
275.01752	16.3
276.02203	1.0
283.04700	0.8
285.06396	0.9
401.10382	5.0
401.15134	1.0
437.07187	100.0
438.07602	12.3
450.36823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41941	0.2
59.01380	1.7
59.91406	0.2
61.98838	0.3
66.45572	0.2
68.20058	0.3
71.01398	0.8
71.51226	0.3
73.02966	0.4
73.56640	0.3
82.49846	0.2
84.64672	0.2
85.02956	0.3
87.00887	0.4
88.58997	0.3
89.02465	0.4
101.02449	0.7
113.02468	0.4
119.05040	0.3
120.99702	0.5
123.00927	0.3
123.04537	0.5
124.01682	0.3
125.02438	1.6
137.02455	0.5
145.02991	0.5
147.04546	0.7
153.01979	0.3
159.04463	0.5
161.02417	0.3
161.04535	0.3
163.04018	0.5
166.02654	0.3
169.01439	1.5
170.89919	0.2
173.02434	1.2
174.03043	0.3
175.03998	0.8
179.03409	0.5
185.02376	1.4
189.01956	1.1
190.02681	2.8
191.03445	1.3
195.06445	0.4
201.01939	2.6
201.05540	0.6
201.11285	0.9
202.02705	0.9
203.03505	3.8
213.01965	0.6
217.01343	0.5
218.02203	2.3
219.02965	1.3
228.00797	0.4
229.01402	8.9
230.01852	0.9
231.02908	1.0
245.00868	0.6
246.01620	0.6
247.02440	1.0
257.00903	12.1
258.01575	4.6
273.00305	0.5
274.01181	11.4
275.01965	100.0
276.02283	7.9
300.99899	0.3
321.45520	0.2
371.18774	0.3
437.07153	16.2
438.07553	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	436.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84122	2.1
61.98833	100.0
64.60174	2.2
72.73639	2.5
85.57660	2.2
86.59886	2.5
115.33500	2.6
127.89205	2.5
307.32224	2.9
316.21738	3.1
318.05569	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	436.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69304	7.6
58.08363	5.9
61.98829	100.0
78.95895	25.3
97.22383	6.1
118.15956	7.2
142.49672	6.6
152.99594	48.9
153.99921	12.0
165.53912	6.7
228.67674	6.9
228.99059	7.7
300.61111	8.5
313.03149	7.1
324.68796	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	436.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.12162	0.6
70.50867	1.2
70.51198	0.7
81.90515	0.6
96.96087	0.6
141.76810	0.7
158.07404	0.7
404.14001	0.7
416.98395	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25643	0.4
57.52412	0.6
59.01436	0.6
65.80360	0.5
67.42834	0.6
67.76676	0.5
69.80323	2.7
71.01449	0.5
76.80164	0.5
81.03536	0.6
106.04373	0.5
107.01453	1.2
108.02235	0.6
123.01007	2.0
123.04550	4.6
124.62382	0.6
125.02441	7.3
139.00449	0.7
143.07256	0.5
145.03059	0.6
148.97191	0.6
151.00482	1.6
153.01944	0.6
169.01413	9.8
174.03220	0.9
188.48373	0.5
189.01904	4.3
190.02713	17.7
190.04369	1.0
191.03264	1.1
193.01401	0.8
200.01231	1.6
201.01971	2.0
202.02629	3.1
203.03549	3.1
213.01939	0.7
215.98254	0.6
217.01503	1.3
218.02194	15.1
219.02629	1.4
222.01810	1.6
228.00586	4.4
229.01379	8.2
230.01907	0.8
245.00897	2.2
246.01775	2.9
247.02457	1.2
256.00061	1.6
257.00903	14.1
258.01559	2.7
261.26135	0.7
273.00339	1.8
274.01184	100.0
275.01920	57.7
276.02277	3.9
279.03030	0.5
313.05725	3.1
437.06900	81.6
438.01923	1.0
438.07303	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	436.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76962	1.1
58.45862	1.1
59.01369	1.3
61.06739	1.0
61.98830	100.0
70.72726	1.9
70.73060	1.8
77.86575	1.0
78.95895	1.9
105.07793	1.0
130.36092	1.1
131.41476	1.1
146.76308	1.0
152.99602	2.2
155.00041	1.6
183.99443	1.2
197.85913	1.2
199.31683	1.0
330.84317	1.1
409.24127	1.3
410.75052	1.2
441.81641	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00998	1.3
60.43177	1.5
60.66725	1.4
61.98830	100.0
69.53121	5.4
69.53530	2.8
76.96712	1.3
82.16928	1.4
83.37101	1.2
110.42738	1.5
163.36861	1.6
283.79306	1.4
445.95502	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	436.234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17759	1.4
61.98832	100.0
64.88434	1.5
70.81170	3.2
73.70411	1.5
131.03848	1.5
144.45682	1.6
358.53787	1.8
395.57965	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	436.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61661	1.3
59.01380	1.9
61.98828	100.0
66.58137	1.4
67.11214	1.4
70.03580	1.7
71.50085	2.3
74.99973	1.4
77.94131	1.4
84.94476	1.3
90.20949	1.7
114.63264	1.3
114.83865	1.4
122.03692	1.8
127.63924	1.3
135.04506	1.7
136.05301	3.2
149.02444	1.5
149.06081	2.0
218.00053	1.3
232.03682	2.0
353.24808	11.0
381.24240	13.7
393.24179	3.8
409.18729	2.0
409.23831	25.5
436.26279	2.6
437.23291	42.3
445.61676	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06342	0.6
59.01379	52.0
60.01699	1.3
60.45899	0.7
60.62266	0.7
61.98828	0.8
62.17453	0.6
69.46939	3.0
69.47366	1.9
71.01385	4.4
73.02946	1.3
79.84513	0.7
85.02946	1.8
89.02432	1.5
95.01408	1.0
99.86086	0.7
101.02433	2.5
101.55072	0.7
111.40227	0.8
113.02434	3.4
119.03481	1.5
134.71812	0.6
135.28070	0.8
161.04520	0.9
162.56018	0.7
183.13913	9.0
195.13902	7.4
199.24170	0.7
211.13391	0.8
213.14960	100.0
214.15343	6.7
227.16539	0.9
243.39191	0.7
267.16333	0.9
298.82336	0.8
301.99756	0.8
435.04102	1.0
435.25912	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	436.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.4
61.98822	17.1
63.87284	1.1
69.57399	8.7
71.01385	11.1
72.99308	1.4
73.02965	3.3
75.75348	1.1
85.02950	4.9
89.02451	1.9
95.01402	2.5
99.00890	1.3
101.02439	4.9
107.01406	4.2
108.02207	2.3
109.02947	3.3
111.00888	3.4
113.02399	2.1
114.27841	1.1
120.99705	1.4
122.02430	1.9
123.00885	12.9
123.04532	10.0
124.01616	1.6
125.02441	21.6
127.00365	2.0
136.98799	1.5
139.00380	7.5
140.01146	4.2
141.01878	1.6
151.00360	13.1
152.01088	2.1
153.01927	6.2
168.00639	5.1
169.01428	37.5
211.02534	1.8
273.00076	1.9
274.01111	4.0
275.01904	2.3
313.05655	6.1
373.11359	100.0
374.11835	11.7
436.08566	2.8
437.05865	1.8
437.11508	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35551	1.8
58.02973	12.6
58.30128	2.0
58.99590	5.9
59.01378	10.8
61.98834	13.3
66.03484	2.8
67.16251	1.7
69.16581	15.5
69.16992	5.4
70.12467	2.2
71.01386	7.1
73.02965	1.9
74.02481	29.5
82.02993	3.0
85.02976	3.3
86.02477	12.7
86.99093	2.6
87.05643	7.6
89.02454	4.8
91.39600	1.9
93.03477	2.5
95.01405	2.3
96.96014	6.2
97.04089	2.9
99.05649	24.9
101.02446	3.3
101.07203	4.2
102.05606	5.1
107.06129	2.8
109.02962	3.0
109.04087	5.0
111.04514	2.2
111.05630	2.5
112.04079	4.0
120.99586	2.1
123.00869	3.4
123.05653	2.5
125.02423	5.6
125.03596	4.2
127.05152	6.2
128.03535	75.8
135.05663	6.9
137.02477	3.2
138.02792	2.0
141.06750	5.3
143.04623	100.0
144.04977	2.0
145.02960	2.2
145.06192	4.9
146.04596	8.3
148.89003	1.9
153.01974	2.1
153.06683	7.9
160.00732	22.9
164.96426	2.0
166.09862	3.7
167.04608	7.7
167.08270	4.9
169.01414	6.5
170.03291	3.2
177.03362	7.9
179.04611	21.2
181.06224	2.8
190.02689	2.3
197.05708	2.1
198.08958	2.1
210.08786	17.4
211.09221	2.5
218.02075	5.4
242.07790	2.4
254.07819	27.0
257.00726	3.0
272.08881	29.0
274.01175	23.5
275.02014	11.9
288.06592	8.1
306.07657	98.1
307.07916	6.6
332.09320	4.4
436.14212	19.7
437.06781	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	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03993	0.2
52.55600	0.3
55.01874	1.0
57.03438	0.7
58.00601	3.2
59.01382	74.1
60.01715	1.1
61.98840	1.8
69.03458	1.1
71.01385	56.3
71.65485	0.3
72.01717	1.2
72.99313	3.4
73.02950	18.8
75.00880	0.8
81.03458	0.5
83.01401	1.7
85.02959	7.3
86.03239	0.3
87.00879	1.6
88.16808	0.2
89.02449	100.0
90.02758	1.8
93.03448	0.2
95.01396	2.0
97.02956	1.4
97.85725	0.3
99.00885	28.4
100.01208	0.5
101.02448	36.4
102.02791	0.9
113.02451	14.9
115.04004	0.9
119.03513	11.3
125.01538	0.4
125.02460	5.4
131.03513	17.2
132.03822	0.4
143.03502	2.6
149.04562	53.9
150.04903	1.6
161.04546	3.7
179.05611	4.3
191.05615	13.2
192.05898	0.4
207.02084	0.3
221.06664	2.0
229.37587	0.3
233.06625	1.0
251.07750	2.5
293.08661	0.7
301.99805	0.3
303.17938	0.6
388.18332	0.4
435.04538	0.6
435.22305	15.9
436.22797	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	435.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69200	0.6
55.01876	1.4
55.24555	0.5
57.72821	0.5
58.00595	2.8
59.01380	79.9
59.90891	0.6
60.01735	0.5
61.98824	1.2
63.65319	0.5
65.58275	0.5
66.53014	0.5
69.03455	0.8
69.33933	4.4
71.01383	55.1
72.01728	0.9
72.99308	2.4
73.02945	17.0
73.09953	0.5
75.00870	0.6
81.03441	0.6
83.01403	1.5
85.02949	7.3
87.00887	2.3
89.02444	100.0
90.02779	2.0
90.55939	0.5
95.01385	2.1
97.02946	1.8
99.00880	29.7
101.02444	36.7
113.02454	14.1
114.02747	0.5
115.04000	0.9
119.03506	9.7
125.02438	4.1
131.03502	17.4
134.20802	0.5
143.03477	2.4
149.04556	52.4
150.04884	1.6
161.04562	3.4
174.79437	0.5
175.88226	0.5
179.05611	3.8
182.36560	0.6
191.05603	13.5
215.23390	0.5
221.06592	1.7
231.38350	0.6
233.06644	1.5
251.07782	3.7
293.08530	0.8
435.22305	14.6
436.22528	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	435.1295
Annotation	Phloridzin
Peak:m/z	Relative Intensity
57.03455	1.8
59.01374	8.2
60.01720	0.5
61.98829	2.1
65.00335	1.0
68.83243	0.4
69.19077	3.7
69.19489	1.2
71.01382	0.4
81.03452	11.7
82.03780	0.4
83.01375	4.5
93.03455	8.4
94.03796	0.4
95.05046	0.6
99.04538	0.4
101.02446	0.7
101.17029	0.4
107.01405	1.7
119.05021	11.6
123.04526	36.7
124.04848	1.1
125.02447	15.3
126.02772	0.7
135.04532	1.4
136.36591	0.4
148.78175	0.4
149.02415	2.3
151.00342	3.4
166.05130	0.4
167.03496	84.7
168.03865	3.4
169.06625	0.6
179.03490	8.2
187.07602	0.8
189.05600	1.8
191.03513	1.2
229.08734	1.0
255.06725	1.1
273.07663	100.0
274.07993	8.8
297.07700	0.8
374.22269	0.5
435.12897	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	435.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	14.5
61.98837	9.9
64.78783	1.6
69.39404	11.1
69.39806	3.2
71.01376	9.1
79.95004	1.9
83.01375	2.3
85.02930	4.1
89.02438	6.0
96.96012	3.6
98.77234	2.0
101.02426	7.0
107.01373	8.6
111.00852	3.8
113.02428	4.3
119.03485	3.5
121.05032	3.7
123.00877	16.6
125.02429	28.5
136.29538	2.1
137.02444	3.7
139.00371	6.5
149.02411	13.3
150.03247	23.5
151.00375	10.6
161.04572	5.1
162.03284	2.4
164.04828	12.6
164.07031	2.2
165.05553	48.1
166.05836	3.3
168.00578	2.5
169.01425	44.9
170.01735	2.6
172.27289	2.2
195.06615	13.9
211.02480	7.7
271.04608	7.2
306.07660	3.5
306.82367	2.1
313.05606	3.4
327.10861	12.4
417.09134	2.3
435.06265	4.1
435.11371	100.0
436.11765	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	435.1297
Annotation	Catechin 3-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
55.01870	0.6
57.03436	0.8
59.01385	5.7
61.98832	6.7
65.00323	0.5
67.01888	1.1
68.99822	0.5
69.03451	0.6
69.34461	1.1
69.34887	1.5
71.01383	5.5
72.99307	1.1
73.02936	2.1
75.38186	0.3
79.01888	1.8
83.01369	1.8
85.02950	3.6
86.00070	0.3
87.00895	0.6
89.02425	0.6
90.99540	0.3
95.01371	2.3
97.02958	1.0
99.00876	0.9
101.02442	3.2
107.01394	4.3
110.00125	0.5
111.00886	2.7
113.02430	1.7
121.02990	0.5
123.00886	17.6
124.01719	1.7
125.02443	18.0
126.02821	0.3
127.00417	0.7
135.04512	0.4
136.98822	1.9
137.02458	0.5
139.00369	7.7
140.01196	4.1
141.01929	2.1
151.00362	12.6
152.00755	0.4
153.01944	3.7
154.99883	0.5
163.04057	0.4
165.02040	0.5
165.05614	0.5
167.03522	0.3
168.00641	3.9
169.01424	20.9
170.01772	0.9
195.02983	0.4
211.02559	0.6
313.05722	1.1
315.07358	0.9
435.12964	100.0
436.13281	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	435.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74029	0.5
59.01383	8.0
59.03817	0.4
61.44429	0.5
63.27730	0.5
64.19405	0.4
66.00390	0.5
67.01882	0.7
70.98476	0.9
71.01376	5.6
72.99310	0.8
73.02964	0.9
78.47330	0.5
79.01897	1.8
83.01390	1.1
85.02960	2.2
86.77148	0.4
89.02451	3.9
95.01385	2.3
97.02966	0.7
101.02438	3.8
104.69426	0.5
107.01392	6.2
111.00874	1.8
113.02433	1.6
119.03471	1.2
121.05070	2.3
123.00883	16.1
124.01682	0.8
124.53911	0.5
125.02450	23.0
126.02782	0.7
136.98810	1.4
139.00375	4.5
140.01184	2.5
141.01929	2.0
151.00369	10.0
168.00652	3.7
169.01433	33.9
170.01778	1.3
211.02513	4.6
228.60619	0.5
250.13681	0.4
253.03424	0.7
271.04559	4.9
313.05685	1.9
320.08096	0.5
435.11438	100.0
436.11795	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	435.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.5
59.01378	39.0
60.01715	1.6
61.98827	16.9
63.44633	1.2
69.95023	1.2
71.01372	7.3
71.52418	1.5
73.02946	3.4
79.54223	1.1
81.03450	4.0
81.73810	1.2
83.01382	2.8
85.02956	3.5
85.55852	1.1
89.02443	1.6
93.03458	77.7
94.03755	1.3
95.01385	1.4
99.00916	1.2
101.02436	4.3
108.02176	67.0
109.02972	25.3
113.02431	2.7
119.05015	4.2
121.02930	2.9
123.00849	2.5
123.04523	9.9
125.02458	6.0
135.00813	2.2
135.04521	3.7
137.02441	100.0
138.02701	2.9
151.00342	2.8
151.04016	2.6
152.01152	88.7
153.01945	38.1
154.02243	2.6
161.04442	1.6
163.03995	2.8
165.01855	1.3
167.02145	1.9
167.03491	24.0
169.01382	3.5
179.03481	3.2
191.03482	2.7
246.69180	1.1
271.06143	1.6
273.07684	24.6
274.07971	3.1
297.06027	20.9
298.06418	2.2
300.99463	1.6
301.99823	2.1
315.07135	19.2
427.06247	1.5
435.09222	93.1
436.09619	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0932
Annotation	Irisxanthone
Peak:m/z	Relative Intensity
55.01875	0.8
59.01381	21.7
60.01683	1.1
68.99805	1.7
69.87379	2.7
69.87801	1.6
71.01382	8.0
73.02932	1.8
83.01376	1.8
85.02943	4.6
86.88410	0.8
89.02463	1.4
93.03458	20.4
95.01379	2.3
96.99297	0.9
99.00890	0.8
101.02424	4.5
107.01399	2.3
108.02178	51.6
109.02973	38.9
110.03264	1.3
111.19032	0.7
113.02478	3.8
113.03152	0.7
119.05033	0.9
121.02955	8.4
123.00887	3.1
125.02445	8.7
135.00867	4.5
136.01646	2.3
137.02464	26.1
151.00357	1.1
151.04005	1.7
152.01160	64.7
153.01952	27.5
154.02263	1.5
167.04579	0.9
169.01422	13.3
170.79425	0.9
272.08752	1.0
281.06638	7.3
287.14963	0.9
299.99399	0.8
300.99686	1.2
301.99896	2.3
303.00409	1.6
313.05609	8.0
315.07172	8.9
391.10306	2.1
435.09332	100.0
435.22015	4.9
436.09592	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	434.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	16.3
60.44723	10.3
61.98832	100.0
62.58885	10.5
63.34890	10.1
64.73228	11.6
69.75568	51.5
78.95897	46.3
90.46375	9.8
103.75787	11.0
106.22957	10.3
134.89958	10.2
152.99574	66.1
254.92027	11.4
292.45670	10.7
293.70831	11.6
300.99377	16.5
301.70984	10.8
404.50055	10.0
435.28757	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.2
61.98831	100.0
70.97987	1.8
82.74299	0.7
97.65171	0.7
104.05567	0.8
152.08344	0.7
165.09996	0.7
178.51045	0.7
227.28128	0.9
260.79825	0.7
267.01352	0.7
299.99210	1.1
300.99600	4.1
302.00204	3.8
416.09091	0.8
421.27826	0.9
434.04495	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	434.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	1.2
59.91885	0.8
61.98828	100.0
70.98878	1.3
71.92863	0.8
78.95917	6.7
96.98885	0.9
111.21899	0.8
116.60374	0.8
135.04529	1.2
142.78766	0.9
152.99585	9.9
153.99864	1.5
171.00629	1.1
174.09120	0.8
174.70380	0.9
188.24329	0.9
190.89914	0.9
300.99362	1.9
434.04404	1.9
435.14832	1.5
456.26077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.1
60.01726	2.1
61.98831	100.0
69.34565	4.6
71.01392	0.7
107.01376	1.0
119.05036	1.2
120.05389	1.3
120.48032	0.5
135.04547	1.8
136.04918	0.6
151.00401	2.1
152.00725	0.8
165.09230	2.2
169.01518	0.6
187.68927	0.5
191.07190	3.7
195.14096	0.5
209.08185	10.0
210.08635	1.1
271.06241	1.8
272.06479	5.8
273.06775	0.7
288.76450	0.6
300.99661	1.8
371.13361	4.7
434.04736	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35234	0.6
51.66707	0.5
55.96107	0.7
56.76701	0.5
59.01379	6.4
60.01702	0.8
61.01831	0.7
61.98830	100.0
69.55429	2.7
71.01385	1.1
73.02939	0.8
81.03497	0.7
101.02421	1.0
107.01366	1.0
111.00902	0.7
123.00902	3.1
125.02453	3.6
139.00325	1.2
140.01141	0.8
151.00403	2.7
153.02000	0.8
169.01433	3.5
180.26721	0.6
228.41212	0.7
271.06216	0.6
274.91183	0.6
300.99734	1.1
374.21732	1.1
435.13004	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	433.2591
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
59.01381	2.2
59.18455	0.5
61.98831	0.8
75.21510	0.4
78.95901	15.0
89.03979	0.5
91.92535	0.5
96.96949	2.2
116.45350	0.4
117.03445	1.5
117.95984	0.4
119.75385	0.4
132.02147	0.9
133.02959	21.3
134.03676	1.7
135.04521	8.4
136.04826	0.8
137.02434	1.5
152.99585	27.2
161.02437	100.0
162.02791	5.8
164.00591	0.5
171.00609	0.7
179.03502	1.9
200.01027	0.5
225.22183	1.0
271.22800	10.5
272.23080	1.2
299.99088	7.8
300.02164	0.7
300.99847	7.2
314.41760	0.4
367.10571	0.5
395.70819	0.6
415.24756	2.4
433.04187	6.9
433.25961	44.1
434.04892	0.7
434.26337	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	433.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37048	0.2
55.01858	0.5
57.03449	0.6
58.00578	0.3
59.01380	100.0
59.82269	0.2
60.01709	1.2
61.98833	1.0
63.85938	0.2
65.00333	0.5
69.60709	0.9
69.61125	0.4
71.01380	8.1
72.99331	0.4
73.02949	3.0
83.01395	1.7
85.02953	3.4
87.00890	0.5
89.02438	3.2
93.03482	0.3
95.01392	0.6
96.95988	0.3
97.02950	0.4
98.20555	0.4
99.00864	1.4
101.02448	7.3
107.01411	0.7
111.00890	0.5
113.02448	3.7
119.03524	1.0
119.05033	1.6
123.00942	0.3
123.25498	0.2
125.02454	3.2
129.99466	0.2
131.03525	0.5
137.02444	0.4
139.00432	0.3
140.01256	0.4
143.03535	0.7
143.05045	0.5
145.02936	0.3
151.00398	1.1
157.06680	0.3
159.03058	0.8
159.04543	0.2
161.04567	6.4
161.05894	0.2
161.42702	0.2
165.01938	1.1
169.01430	2.7
170.01915	0.3
172.01678	0.4
173.02475	0.3
179.05672	0.4
184.05324	0.3
185.02480	0.2
185.06094	1.4
187.04031	0.7
197.11780	0.5
209.06096	0.3
216.00581	0.6
227.07021	1.0
228.00699	0.4
229.01361	0.3
237.14992	0.3
244.00198	0.5
253.05156	0.8
255.03076	0.4
257.00974	0.2
271.06113	13.7
271.19138	0.3
272.06412	1.2
281.13950	0.4
286.03986	0.5
287.04691	0.5
299.99106	14.1
300.99872	9.9
301.03409	0.5
301.16760	0.3
302.00290	0.5
309.08868	0.3
313.05679	0.5
335.49725	0.2
373.22314	9.9
374.22781	1.2
389.08813	0.4
389.16360	0.7
415.14044	0.3
433.04269	9.3
433.11292	2.5
433.15695	1.7
433.23825	1.1
434.04471	1.2
434.10449	0.2
434.16098	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01717	0.9
61.98827	0.8
69.54753	4.0
69.90356	0.5
71.01388	5.0
73.02950	1.7
83.01360	1.0
85.02952	1.5
89.02482	1.8
95.01396	0.8
96.60378	0.7
98.20618	0.9
99.00892	0.7
100.94775	0.6
101.02436	4.1
113.02490	2.0
119.03536	1.0
121.18177	0.5
127.79137	0.7
131.03502	1.2
137.02519	0.8
161.04599	2.1
165.47823	0.6
175.74693	0.6
221.06715	1.6
244.00081	1.1
285.41592	0.6
299.99103	15.5
300.99826	13.8
302.00443	0.7
331.17703	3.8
373.18918	0.8
377.44687	0.7
387.34958	0.6
433.04065	14.8
433.10321	0.8
433.24408	1.1
434.04694	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	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81047	0.6
56.73693	0.6
59.01379	100.0
60.01713	1.2
61.98835	3.2
67.66700	0.5
68.99792	0.6
69.31441	1.9
69.31864	2.8
71.01388	4.3
72.24814	0.5
73.02946	1.4
78.64674	0.6
83.01393	1.3
85.02966	1.7
85.49792	0.6
87.00904	0.6
89.02433	2.8
98.20695	0.9
99.00891	2.5
101.02462	2.5
101.12460	0.6
113.02471	2.5
117.34035	0.5
119.03487	1.1
131.03517	2.5
146.11433	0.5
161.04523	1.7
165.29350	0.7
217.78683	0.6
221.06821	0.8
221.39305	0.6
221.95512	0.6
244.00070	0.6
248.41174	0.5
271.19229	1.2
299.99100	13.7
300.99832	11.5
302.00278	1.1
315.04813	0.6
331.17624	3.0
373.18466	0.7
420.38248	0.6
433.04105	10.6
433.10129	0.6
433.24252	4.4
434.04688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.236
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01365	0.4
62.96388	0.3
64.10151	0.2
74.31286	0.2
78.95908	51.3
96.96964	6.3
98.20668	0.5
129.68307	0.2
133.02925	0.6
135.04543	0.8
136.04813	0.3
150.98053	1.3
152.99593	100.0
153.99918	1.9
157.89217	0.3
161.02461	4.1
167.66438	0.3
171.00653	4.8
179.03540	0.4
218.06146	0.3
221.31870	0.2
279.23193	0.9
299.99103	2.9
300.99854	2.1
302.00238	0.3
433.04269	1.9
433.23230	4.9
434.24344	0.9
446.37592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36139	0.5
57.03449	0.9
59.01379	100.0
60.01725	1.3
64.27399	0.6
65.00336	1.2
69.38091	4.5
71.01389	2.2
73.02947	1.1
83.01392	1.4
85.02953	1.4
87.95892	0.6
89.02467	1.4
101.02464	1.5
107.01414	1.3
113.02457	2.1
119.05017	1.2
121.58772	0.5
125.02461	1.7
135.00867	2.7
135.04510	4.2
143.05042	2.0
145.02983	1.6
151.00377	3.2
157.06589	0.8
161.04619	1.1
161.06140	1.3
183.08115	0.7
185.06044	3.7
187.03976	2.8
199.07582	0.9
203.07140	0.9
209.06033	1.3
211.13376	10.8
212.13846	0.9
227.03673	0.9
227.07106	6.4
229.05051	0.9
253.05022	0.9
256.03806	0.8
271.06104	51.9
272.06528	5.1
299.99081	8.4
300.99887	8.3
301.03107	1.0
302.00226	0.6
389.08807	1.1
425.96426	0.6
433.04236	7.4
433.11505	13.8
434.11731	1.4
447.98398	0.6
454.13361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00620	0.5
59.01381	100.0
60.01713	1.7
61.01804	0.7
61.98830	1.2
62.14128	0.5
63.71841	0.6
70.77679	0.5
71.01379	6.0
71.52191	0.7
72.99327	0.9
81.03447	0.5
83.01389	1.0
85.02945	1.8
87.00896	0.8
89.02451	5.5
93.03480	0.7
95.01402	0.8
95.94396	0.5
96.96021	1.9
101.02459	3.0
107.01382	0.9
112.09082	0.5
113.02461	2.5
119.03487	2.2
119.04981	1.2
125.02422	1.1
127.24754	0.4
133.02953	1.0
143.03487	0.6
151.00357	2.1
161.02432	2.4
161.04546	1.7
172.01692	0.5
173.61084	0.4
179.05634	1.1
183.02998	0.7
189.02098	0.6
200.01196	0.8
216.00597	1.1
229.01202	0.7
234.59012	0.5
244.00165	1.5
245.00980	0.5
253.14401	2.2
271.06107	4.8
271.99640	0.8
282.98746	0.7
298.98181	0.6
299.99100	37.0
300.99838	27.1
302.00180	2.7
329.06531	0.6
391.19574	0.6
433.04001	26.8
433.10303	1.1
433.19937	4.3
433.30417	0.6
434.04318	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	433.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89763	6.0
57.47561	5.2
59.01385	100.0
59.65251	5.4
61.98823	41.8
71.01381	22.8
73.02956	6.1
83.01416	5.0
85.02957	11.7
89.02459	9.3
101.02451	14.5
108.84653	4.9
113.02423	9.9
123.00866	5.7
125.02465	11.1
151.00343	9.7
151.31236	5.3
153.34059	5.3
161.04489	12.2
167.60612	6.3
169.01459	12.7
267.89352	6.5
275.18677	5.5
330.49509	5.3
373.14877	16.5
389.18344	7.3
427.69455	5.8
433.13416	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73330	0.5
57.03453	0.6
59.01380	10.7
61.98833	2.5
65.00350	0.4
66.70901	0.5
67.01896	1.1
68.99818	0.6
69.03458	0.6
69.73443	1.5
69.73854	1.3
71.01377	6.8
72.99306	0.7
73.02951	1.9
79.01890	1.3
83.01395	1.8
85.02954	3.4
87.00864	0.6
87.04527	0.9
89.02433	3.2
95.01389	2.3
97.02950	0.6
99.00864	0.7
101.02455	4.9
107.01392	5.4
109.02959	0.8
111.00890	2.5
113.02473	2.6
119.03523	1.2
119.07138	1.0
123.00890	18.6
123.04568	0.7
123.75880	0.4
124.01646	1.6
124.96559	0.4
125.02447	21.0
126.02795	0.8
127.00394	0.8
136.98785	2.3
137.02509	0.5
139.00368	6.8
140.01195	3.0
141.01906	2.2
145.02927	0.6
147.04497	0.8
151.00372	14.2
152.81512	0.5
153.01880	0.6
154.99789	0.7
161.02477	1.1
161.04527	0.8
163.48363	0.5
165.01982	0.7
168.00670	3.0
169.01434	28.5
170.01799	1.4
189.01907	0.7
191.03531	1.3
201.70818	0.4
211.02487	2.7
217.01474	0.7
219.02998	0.7
243.06720	0.7
245.01123	0.7
253.03355	0.5
261.00415	1.6
263.01959	2.0
271.04691	2.2
288.79175	0.4
288.99951	1.3
300.99887	0.6
313.05734	1.8
343.36560	0.4
397.24573	0.5
433.13492	100.0
434.13812	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	433.114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.1
58.00609	0.7
59.01378	47.0
60.01727	1.1
61.01826	0.6
61.96475	0.5
63.02392	0.6
71.01379	10.8
71.43179	0.4
71.52198	0.8
72.99327	0.9
73.02948	2.9
79.95768	0.6
82.93880	0.4
83.01418	1.1
84.55920	0.5
85.02949	3.2
87.00910	1.5
88.40479	0.5
88.48897	0.6
89.02446	7.2
91.01927	0.7
93.03465	5.1
95.01409	1.0
96.96008	25.3
99.00920	0.7
101.02441	7.2
109.02955	1.0
113.02470	3.8
119.03479	3.4
121.02956	33.1
122.03292	1.7
123.00862	0.6
125.02467	1.5
135.00880	1.7
135.04507	3.0
137.02473	1.6
143.03537	0.7
143.51312	0.5
148.01680	1.3
149.02435	100.0
150.02771	4.9
151.04044	0.8
153.01955	1.3
159.02913	0.6
159.06593	1.0
161.02451	0.8
161.04590	1.7
172.01700	0.8
179.05641	0.9
183.02969	1.8
185.02348	0.7
191.03534	1.4
200.01199	0.9
201.01999	0.6
211.13297	0.8
216.00621	1.1
228.00740	0.8
229.01285	0.8
235.13281	1.2
244.00084	2.0
249.09744	0.6
253.14424	2.9
271.06100	84.6
271.99683	1.2
272.06464	9.1
285.16946	0.7
292.02188	0.8
299.99094	40.1
300.99854	32.4
302.00262	3.3
313.06854	0.7
373.18683	1.0
415.05801	0.6
433.03912	29.1
433.11172	26.7
433.20471	20.4
434.04575	4.2
434.11426	3.4
434.20972	2.3
447.63358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	47.5
60.01714	0.4
61.98835	32.5
63.02406	2.5
65.00329	5.0
69.21866	3.0
69.22285	1.6
71.01384	2.6
73.02950	0.6
78.86511	0.5
83.01384	3.8
85.02976	0.6
89.02423	2.0
91.01898	1.9
93.03471	7.1
96.96001	1.2
98.19921	0.9
101.02439	1.9
107.01401	10.5
107.04986	0.5
113.02441	1.2
119.05035	33.0
120.05376	1.0
121.02956	0.7
123.00919	0.6
125.02457	1.7
134.03748	1.3
135.00900	6.4
135.04535	35.6
136.04843	1.7
137.02455	0.8
145.02997	0.6
151.00383	35.7
152.00648	1.3
153.01927	1.5
158.03595	0.5
161.04584	0.7
164.01204	1.2
165.01904	1.4
165.09222	1.1
169.01456	0.9
175.00374	1.4
177.01939	5.3
191.07138	1.3
193.01408	0.8
202.99883	0.5
209.08232	2.8
216.00694	0.9
218.18810	0.5
244.00055	0.7
253.05110	1.3
262.86575	0.6
269.04218	0.6
271.06128	100.0
272.06436	9.0
282.98398	0.8
295.06186	1.2
299.99130	12.4
300.02435	0.6
300.99872	10.4
302.00244	0.7
313.07126	1.0
331.17715	0.9
371.13474	1.5
433.04160	9.0
433.11249	4.1
433.24695	1.1
434.04211	1.1
434.11740	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.114
Annotation	6-hydroxy-2-[(4-glucosyl-hydroxyphenyl)methyl]-1-benzofuran-3-one
Peak:m/z	Relative Intensity
57.03466	1.1
58.00609	0.7
59.01378	47.0
60.01727	1.1
61.01826	0.6
61.96475	0.5
63.02392	0.6
71.01379	10.8
71.43179	0.4
71.52198	0.8
72.99327	0.9
73.02948	2.9
79.95768	0.6
82.93880	0.4
83.01418	1.1
84.55920	0.5
85.02949	3.2
87.00910	1.5
88.40479	0.5
88.48897	0.6
89.02446	7.2
91.01927	0.7
93.03465	5.1
95.01409	1.0
96.96008	25.3
99.00920	0.7
101.02441	7.2
109.02955	1.0
113.02470	3.8
119.03479	3.4
121.02956	33.1
122.03292	1.7
123.00862	0.6
125.02467	1.5
135.00880	1.7
135.04507	3.0
137.02473	1.6
143.03537	0.7
143.51312	0.5
148.01680	1.3
149.02435	100.0
150.02771	4.9
151.04044	0.8
153.01955	1.3
159.02913	0.6
159.06593	1.0
161.02451	0.8
161.04590	1.7
172.01700	0.8
179.05641	0.9
183.02969	1.8
185.02348	0.7
191.03534	1.4
200.01199	0.9
201.01999	0.6
211.13297	0.8
216.00621	1.1
228.00740	0.8
229.01285	0.8
235.13281	1.2
244.00084	2.0
249.09744	0.6
253.14424	2.9
271.06100	84.6
271.99683	1.2
272.06464	9.1
285.16946	0.7
292.02188	0.8
299.99094	40.1
300.99854	32.4
302.00262	3.3
313.06854	0.7
373.18683	1.0
415.05801	0.6
433.03912	29.1
433.11172	26.7
433.20471	20.4
434.04575	4.2
434.11426	3.4
434.20972	2.3
447.63358	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19938	0.4
55.01898	0.5
58.00597	0.9
59.01378	100.0
59.18780	0.5
60.01707	1.1
65.00330	0.5
68.70768	0.4
69.34913	3.7
71.01381	8.3
72.99330	0.8
73.02953	1.4
79.95737	0.4
83.01398	0.9
85.02955	2.7
87.00884	0.9
89.02449	8.1
89.02938	0.6
93.03454	0.6
95.01391	0.9
96.19787	0.4
96.96011	20.7
98.20703	0.7
99.00889	0.5
100.57623	0.4
101.02432	4.6
107.01407	1.0
108.02223	0.6
109.03008	1.2
113.02451	3.3
119.03497	2.8
119.05022	0.5
121.02954	2.1
125.02509	1.3
131.51225	0.5
135.00917	0.9
135.04552	0.7
137.02438	0.5
143.03595	0.7
148.01756	0.6
149.02440	3.5
151.00372	4.8
152.01143	0.6
153.01997	0.5
161.04663	1.5
163.00426	1.0
164.01250	0.5
165.01949	7.7
178.99834	2.5
179.05745	0.7
183.02972	0.9
191.14513	0.6
211.04123	0.5
226.02824	0.8
227.03696	1.4
243.02980	5.2
244.00046	0.7
245.04849	0.5
253.14438	26.3
254.02345	1.0
254.15068	1.6
255.02982	8.9
256.03430	0.5
271.02722	21.3
271.06317	7.4
271.08810	0.7
272.00400	0.8
272.03201	2.5
272.06467	0.9
273.04214	0.6
283.02844	0.7
292.02628	0.5
299.02277	0.8
299.95932	0.9
299.99420	12.2
300.03070	33.1
300.96573	0.7
301.00143	12.2
301.03778	21.3
302.00510	1.1
302.04218	1.4
313.05865	1.0
384.95779	0.5
391.23709	1.1
433.08322	17.3
433.21307	3.1
434.08661	1.8
448.99030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.041
Annotation	Ellagic acid-4-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
59.01112	0.5
59.01378	6.4
63.43711	0.3
67.65965	0.4
69.44750	0.7
69.45155	2.2
74.54273	0.4
89.02438	0.8
113.02469	0.5
119.03448	0.5
123.69181	0.4
135.04504	0.4
144.02153	0.4
145.02966	0.5
148.01671	0.5
160.01653	0.6
172.00392	0.4
172.01662	2.5
173.02351	1.1
185.02406	1.6
188.01111	0.9
199.00412	0.6
200.01109	2.6
201.01871	1.2
216.00668	3.6
217.01305	0.6
226.99863	0.9
228.00607	2.5
229.01360	2.8
242.99323	1.2
244.00092	4.8
245.00816	1.0
253.14323	0.4
257.00888	1.5
270.98883	0.5
271.99603	3.2
282.98831	2.2
283.99509	2.2
298.98328	0.7
299.99097	94.6
300.99844	100.0
302.00217	7.9
326.84613	0.4
433.04089	74.6
433.20041	1.9
434.04443	9.7
436.47382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0774
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
50.19938	0.4
55.01898	0.5
58.00597	0.9
59.01378	100.0
59.18780	0.5
60.01707	1.1
65.00330	0.5
68.70768	0.4
69.34913	3.7
71.01381	8.3
72.99330	0.8
73.02953	1.4
79.95737	0.4
83.01398	0.9
85.02955	2.7
87.00884	0.9
89.02449	8.1
89.02938	0.6
93.03454	0.6
95.01391	0.9
96.19787	0.4
96.96011	20.7
98.20703	0.7
99.00889	0.5
100.57623	0.4
101.02432	4.6
107.01407	1.0
108.02223	0.6
109.03008	1.2
113.02451	3.3
119.03497	2.8
119.05022	0.5
121.02954	2.1
125.02509	1.3
131.51225	0.5
135.00917	0.9
135.04552	0.7
137.02438	0.5
143.03595	0.7
148.01756	0.6
149.02440	3.5
151.00372	4.8
152.01143	0.6
153.01997	0.5
161.04663	1.5
163.00426	1.0
164.01250	0.5
165.01949	7.7
178.99834	2.5
179.05745	0.7
183.02972	0.9
191.14513	0.6
211.04123	0.5
226.02824	0.8
227.03696	1.4
243.02980	5.2
244.00046	0.7
245.04849	0.5
253.14438	26.3
254.02345	1.0
254.15068	1.6
255.02982	8.9
256.03430	0.5
271.02722	21.3
271.06317	7.4
271.08810	0.7
272.00400	0.8
272.03201	2.5
272.06467	0.9
273.04214	0.6
283.02844	0.7
292.02628	0.5
299.02277	0.8
299.95932	0.9
299.99420	12.2
300.03070	33.1
300.96573	0.7
301.00143	12.2
301.03778	21.3
302.00510	1.1
302.04218	1.4
313.05865	1.0
384.95779	0.5
391.23709	1.1
433.08322	17.3
433.21307	3.1
434.08661	1.8
448.99030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71926	0.9
59.01080	0.7
59.01382	23.0
61.98831	100.0
71.01385	4.5
72.32956	0.8
73.02933	1.5
75.77469	0.8
85.02958	1.0
89.02434	4.2
98.19845	1.3
99.00880	1.0
101.02450	3.6
113.02459	1.0
149.04506	1.6
162.43239	0.9
166.59662	0.7
169.01477	1.3
183.03032	1.6
184.03270	1.0
197.04233	0.7
202.65434	0.8
229.01337	1.2
242.98891	0.7
243.99904	1.1
245.77574	0.8
271.99570	1.4
282.98831	1.1
299.99115	18.6
300.99918	17.2
400.06494	1.5
432.09152	3.5
432.22714	1.5
433.04010	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	433.041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	0.6
59.01377	7.1
59.70134	0.3
60.01718	0.3
63.08483	0.3
71.01370	1.4
83.01385	0.6
85.02958	0.6
87.00861	0.5
89.02431	1.0
89.35558	0.4
93.03450	1.2
98.02464	0.5
101.02451	0.9
101.73667	0.4
109.02964	1.8
113.02485	0.8
113.03562	1.0
114.01962	0.9
119.03446	0.6
124.01667	0.8
125.02494	0.6
129.66724	0.4
131.04630	3.2
132.02223	0.5
135.00870	0.5
137.02454	2.5
139.03986	0.9
141.96207	0.4
145.02983	0.4
151.00551	0.3
153.01855	0.5
156.02145	0.4
160.01604	0.6
164.01154	1.6
165.01814	0.5
169.01474	0.5
172.01709	2.0
176.01115	0.6
177.05559	1.0
185.02391	1.2
188.01190	0.5
200.01141	2.7
201.01984	0.9
203.07242	0.5
213.05005	0.4
216.00664	2.2
217.01385	0.5
220.06126	1.0
225.05611	0.3
226.99948	0.6
228.00670	1.9
229.01266	1.7
242.99371	1.0
243.06560	1.8
244.00104	4.1
245.00894	0.7
253.04987	1.9
257.00824	0.8
270.98956	0.4
271.06201	3.7
271.99658	1.6
273.07675	0.5
282.98813	1.0
283.99594	1.5
298.98380	1.1
299.99100	100.0
300.99817	53.4
302.00241	3.5
353.09991	3.1
433.04099	70.4
433.20734	1.4
434.04437	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	431.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08538	0.6
56.39551	0.6
57.03448	0.8
59.01380	100.0
60.01727	1.2
63.55850	0.6
70.37026	0.6
71.01379	9.9
72.99311	0.7
73.02957	1.8
74.58268	0.6
77.63592	0.7
78.95917	1.8
83.01397	1.5
85.02969	2.3
87.00872	1.3
89.02438	8.1
95.01408	1.0
98.20670	1.6
99.00881	1.0
101.02451	6.3
113.02448	5.1
117.03439	2.8
119.03504	4.0
119.04949	0.7
125.02415	1.2
134.04817	0.7
137.02489	0.6
143.03539	0.9
145.02946	8.7
146.86607	0.6
161.04597	3.1
162.04865	0.6
163.04073	1.0
169.01535	1.2
179.05685	0.9
183.03017	1.6
186.68602	0.7
192.09544	0.6
225.15034	1.1
244.83052	0.7
270.98868	0.6
271.02200	0.9
276.43686	0.6
297.47849	0.7
301.04138	0.6
307.08392	1.3
343.08240	1.5
371.20624	2.9
378.23254	0.6
387.07526	1.1
389.21811	1.2
431.06189	3.5
431.13812	2.7
431.23053	3.7
432.23474	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39214	1.0
59.01378	26.1
61.98831	100.0
69.76146	1.1
70.06119	0.9
71.01379	9.4
71.52628	2.0
73.02953	3.0
73.03437	1.0
83.01387	1.3
85.02943	2.2
89.02440	13.9
89.71210	1.2
99.00874	4.7
101.02451	6.5
103.26635	1.1
104.33063	1.2
113.02479	2.5
119.03517	1.3
131.03548	1.8
149.04556	6.5
161.04584	1.3
229.01392	1.8
243.99829	1.4
293.86008	1.1
299.99103	21.5
300.99869	17.2
328.55356	1.3
382.94351	1.0
432.09396	5.6
432.22470	2.8
433.04086	18.2
433.10052	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2201
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01377	1.4
62.96454	0.4
78.95904	53.6
87.72336	0.3
96.96963	6.1
150.98030	1.7
152.99583	100.0
153.99913	1.3
171.00658	3.9
226.61191	0.3
254.11130	0.3
257.85812	0.3
277.21762	0.9
281.74872	0.3
286.18933	0.3
431.22015	4.5
432.22455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
58.69968	0.4
59.01379	100.0
60.01720	1.3
69.46210	1.0
69.46616	2.1
71.01378	7.6
72.99336	0.6
73.02948	1.8
83.01411	1.0
85.02957	2.4
89.02451	5.4
95.01419	1.1
98.19115	0.5
99.00910	0.6
101.02452	5.6
106.41213	0.5
107.01405	0.5
109.06637	0.7
113.02456	2.9
119.03512	2.4
123.00954	0.5
125.02479	0.9
137.06099	0.5
139.06595	0.5
151.00385	0.5
161.04567	1.7
168.00746	0.5
169.01379	1.0
179.05565	0.6
187.09875	0.8
209.11787	1.3
214.02762	0.7
215.03632	0.6
217.10878	0.6
225.05289	0.5
227.03482	1.0
229.01506	0.8
242.02367	1.4
243.02916	1.1
245.01050	0.8
251.12949	1.1
269.01279	0.9
269.04630	4.1
270.98901	0.5
271.03052	0.7
271.06274	2.4
272.03442	0.6
282.05209	0.6
297.04407	1.2
297.07806	1.0
315.08707	0.8
341.06931	1.3
343.08191	4.2
344.08621	0.5
359.07626	0.7
369.06277	1.6
387.07245	4.0
393.96240	0.4
413.05338	1.4
416.52789	0.5
429.37109	0.5
431.05908	13.1
431.18939	0.7
431.23706	1.0
432.06525	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54413	1.3
59.01379	100.0
69.03481	1.1
71.01052	1.1
71.01385	10.7
73.02928	3.0
83.01382	1.6
85.02940	1.8
86.66714	1.0
87.00889	6.3
89.02444	9.4
95.01359	2.2
97.02950	1.3
101.02414	4.7
107.01369	6.5
111.00847	3.4
113.02406	3.2
117.05563	1.6
119.03466	2.3
123.00893	6.2
123.04500	3.2
124.01649	4.4
125.02452	33.0
126.02736	1.7
133.05090	1.7
138.01941	3.5
138.04582	1.3
138.05608	23.7
139.00330	2.9
140.01088	4.2
151.00284	3.0
153.05600	6.8
160.49330	1.1
161.02409	2.9
161.04489	1.5
167.03453	2.2
168.00624	16.3
169.01422	47.1
169.65114	1.2
170.01729	1.9
176.04701	2.1
179.03436	4.8
194.05762	5.3
209.08191	16.0
210.08336	1.4
211.02466	72.8
211.95407	1.3
212.02753	3.8
214.31235	1.2
241.03510	2.5
271.04581	99.2
272.04932	7.9
279.10754	6.4
331.06686	8.3
332.06870	1.7
336.54279	1.2
362.66531	1.4
379.97156	1.3
413.10510	1.6
431.11661	63.9
432.11819	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	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05549	1.7
57.03450	2.4
58.00592	2.6
59.01382	100.0
61.98818	1.6
69.03424	2.1
69.31245	14.7
71.01386	25.7
71.05012	2.4
72.99305	4.2
73.02611	1.8
73.02951	20.4
83.01419	1.7
85.02945	7.9
87.00861	5.5
87.04482	5.2
89.02446	27.6
97.02938	1.9
99.04494	6.4
101.02450	35.8
101.06054	1.8
103.04034	16.0
107.01367	6.9
113.02419	7.2
115.03982	4.4
117.05596	14.8
119.03509	11.1
123.00902	13.2
123.04485	2.1
124.01576	2.7
125.01682	2.5
125.02461	29.7
131.03456	4.9
138.01932	5.1
139.00391	4.1
143.03429	5.2
144.30943	1.6
151.00381	10.2
153.05568	3.1
159.06607	1.7
161.02365	1.9
161.85258	1.9
163.06129	36.3
168.00658	8.5
169.01430	49.0
169.71481	1.7
170.01732	2.9
179.03461	3.1
179.05490	1.4
205.07190	8.8
209.08119	5.6
211.02505	30.0
271.04614	42.5
272.04898	2.1
279.10828	23.1
296.28293	1.6
313.05426	6.7
331.06470	5.4
387.09024	3.1
413.10770	4.0
431.07196	3.3
431.11694	76.2
432.12149	11.3
432.17099	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	431.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.5
59.01382	21.0
61.43134	0.7
69.24227	3.2
69.24658	3.5
71.01385	6.4
72.99296	0.9
73.02941	1.6
83.01389	2.0
85.02947	3.2
89.02441	4.4
91.00151	0.8
93.03461	47.6
94.03844	1.5
95.01385	1.0
97.02934	1.2
99.04517	6.3
101.02451	4.7
107.01380	1.4
107.05034	1.0
111.00828	0.9
113.02460	2.6
117.05600	2.8
119.03500	1.7
121.02947	2.2
123.00887	4.7
123.04503	0.9
124.01659	2.0
125.02447	51.3
125.74039	0.8
126.02793	2.1
137.02448	100.0
138.02797	4.7
139.00348	1.9
143.03493	2.2
149.02458	4.3
149.99577	1.2
151.00339	4.5
151.03993	3.5
161.04568	0.8
167.03462	1.1
168.00674	5.6
169.01419	17.1
179.03493	2.1
185.97186	0.7
191.03546	1.5
207.06654	1.0
209.04677	0.7
211.02486	10.3
212.02739	0.7
269.04214	1.4
269.06866	5.4
271.04587	12.8
271.09433	0.7
272.04962	1.3
274.01199	1.4
279.10806	4.9
313.05701	1.5
331.06793	2.1
431.11816	12.8
431.15961	9.3
432.12152	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	431.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	27.8
59.28875	0.8
63.81971	0.8
70.78201	1.4
70.78547	1.8
71.01385	8.3
73.02965	1.4
83.01344	1.6
85.02955	1.9
87.00866	4.1
89.02461	6.1
95.01320	1.0
99.04519	1.4
99.28082	0.8
101.02425	5.4
107.01383	4.4
111.00854	1.9
113.02427	2.7
117.05561	1.8
119.03493	1.9
123.00874	2.9
123.03227	1.2
124.01657	3.6
125.02451	32.8
127.00343	1.2
130.50322	0.8
136.98788	0.9
138.01944	2.2
138.05592	15.4
139.00346	3.2
140.01138	3.0
151.00345	2.7
151.03973	0.9
153.05511	1.3
161.04543	1.2
167.03503	1.5
168.00642	15.6
169.01411	50.7
170.01770	2.1
179.03461	1.5
181.08696	0.8
194.05806	1.1
209.08191	4.6
211.02464	75.9
212.02783	3.7
214.56026	0.8
241.03406	2.7
251.05699	1.3
271.04575	100.0
272.04984	6.6
279.10822	4.6
306.04425	0.8
313.05624	1.0
321.39368	0.9
331.06665	8.2
381.77386	0.8
400.73718	0.9
430.48795	0.9
431.11774	68.6
432.12109	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	431.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.9
65.57371	0.5
69.40400	3.6
69.40799	1.2
71.01387	3.0
77.64025	0.5
79.22636	0.5
83.01392	0.9
85.02946	1.1
89.02438	2.4
93.03455	48.7
94.03793	1.6
101.02425	2.5
107.01402	0.6
113.01689	0.5
113.02424	0.7
117.05560	1.3
121.02959	1.6
123.00895	1.2
124.01658	1.5
125.02442	7.7
131.03482	0.9
134.03477	0.5
135.04491	0.7
137.02440	100.0
138.02769	4.3
139.00378	0.5
149.02362	0.6
149.99553	1.9
151.00339	1.1
151.03984	3.4
158.38919	0.5
160.16972	0.5
160.51251	0.6
168.00639	4.2
169.01440	4.7
179.03500	2.9
191.03447	1.5
191.05573	0.8
191.62466	0.5
211.02452	3.1
239.52122	0.5
269.04428	0.9
271.04556	7.3
272.04889	0.6
279.10812	3.0
313.05701	0.8
331.06766	0.7
377.77493	0.5
431.11261	11.3
431.16879	0.9
432.12100	1.3
434.24167	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53180	0.6
59.01381	6.6
61.98829	0.9
64.31075	0.6
69.03429	0.7
69.96984	3.2
71.01382	6.5
73.02939	2.2
81.03456	1.8
83.01363	0.8
85.02953	4.1
87.00881	1.6
87.04466	0.7
89.02453	17.4
95.01386	2.6
97.02974	0.7
101.02457	2.4
107.01396	1.8
108.02179	49.9
109.02964	34.9
113.02461	1.2
121.02935	1.1
123.00868	4.7
123.04535	1.0
125.02457	6.4
133.05087	4.3
135.00966	1.0
135.04584	0.9
137.02411	1.0
139.00401	1.2
151.00381	1.8
151.03969	1.2
152.01154	60.2
153.01941	27.4
153.05441	0.9
154.02293	1.2
163.03925	1.6
165.01945	1.8
168.00644	2.0
169.01421	8.6
189.82178	0.7
196.05339	0.8
211.02504	7.3
224.04901	0.8
227.21790	0.7
240.04291	1.3
268.03796	1.3
269.04535	2.3
271.04562	12.1
279.10861	1.1
297.06226	5.9
315.07208	12.4
331.06708	1.8
387.09305	9.5
388.09561	1.7
431.11951	100.0
432.12314	11.8
444.38724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64730	0.7
51.91184	0.7
55.05954	0.6
59.01371	2.4
60.99305	12.9
62.73236	0.8
71.01373	1.5
71.50288	0.7
72.52164	0.7
84.95828	0.7
88.98804	100.0
89.02441	10.9
89.99133	1.0
108.02186	0.8
152.01126	1.1
158.03220	0.7
196.05630	0.7
222.84193	0.7
241.45865	0.9
263.34680	0.9
308.34338	0.8
311.24304	0.8
329.04218	0.7
331.26660	0.8
336.68350	0.7
341.10931	2.6
342.11426	0.8
343.34976	0.7
431.12170	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	431.1193
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
52.44992	0.8
59.01379	49.2
59.29531	0.8
61.98803	1.6
63.54197	0.8
64.18727	0.8
69.03443	0.9
69.39748	2.0
69.40157	5.0
71.01382	20.5
71.05008	2.5
72.99311	1.1
73.02953	10.1
79.01900	1.3
83.01358	1.8
85.02944	5.6
87.00861	2.5
87.04527	7.2
88.98786	1.0
89.02449	15.6
95.01376	2.1
96.96011	1.2
97.02937	1.9
99.04528	9.9
101.01819	1.1
101.02447	20.6
101.06063	1.1
103.03993	3.6
107.01378	6.0
111.00851	1.9
113.02464	6.6
115.04001	3.1
117.05577	26.7
118.05965	1.1
119.03500	7.1
123.00884	11.0
123.04506	1.4
124.01706	1.5
125.01529	1.9
125.02445	36.1
126.02776	2.0
131.03450	1.9
133.05107	1.0
136.98779	1.0
138.01909	2.0
139.00369	5.6
139.04018	1.4
140.01093	2.5
143.03464	2.4
151.00368	8.8
153.05632	1.3
159.06561	1.9
163.06107	11.8
164.06435	1.3
165.01965	1.1
167.03516	1.3
168.00639	11.4
169.01419	61.7
170.01765	2.6
179.03423	2.3
193.01347	1.2
205.07123	2.7
209.08084	1.8
211.02470	42.0
212.02910	1.9
225.30637	0.9
241.03337	1.4
271.04593	58.0
272.04858	5.0
274.01196	0.9
279.10837	37.3
280.11154	2.9
313.05664	6.2
331.06674	9.0
371.03955	2.0
371.10022	1.5
386.23273	0.9
387.09357	5.2
413.10748	3.9
431.07034	3.6
431.11813	100.0
432.12122	13.5
443.27762	1.0
456.01880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01725	1.7
64.78795	0.7
76.53864	0.7
91.04003	2.1
98.20695	1.4
101.02420	0.9
120.35226	0.8
121.69460	0.7
195.13979	1.5
210.06415	1.0
221.62383	0.8
245.90289	0.9
259.47665	0.8
261.71066	0.8
277.21997	1.0
278.77606	0.9
295.22751	11.0
296.23126	1.4
299.35379	0.8
312.25003	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3008
Annotation	Convallamarogenin
Peak:m/z	Relative Intensity
51.08286	1.1
59.01369	4.2
59.77863	1.6
69.61635	7.0
72.45673	1.4
75.96664	1.2
91.50556	1.3
116.46378	1.5
122.03740	16.2
135.04543	6.8
136.01666	4.6
136.05319	1.9
137.02536	1.2
149.06042	2.4
159.04567	3.9
163.04041	2.4
173.06064	1.9
176.04761	2.1
187.03973	10.6
187.07700	1.4
188.08426	2.8
201.09210	2.4
202.06357	6.0
216.07893	3.4
229.08752	2.0
257.15369	1.3
259.16852	1.4
317.24820	97.0
318.25107	10.7
343.26413	1.5
357.28003	1.8
358.25104	7.1
367.26437	1.9
371.25854	12.9
372.26385	2.6
382.25125	3.6
383.29535	12.0
385.27512	5.4
386.28107	2.7
400.26309	3.2
411.29062	29.3
412.29431	4.9
429.30118	100.0
430.30484	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27882	0.4
55.01880	0.5
57.03456	1.2
58.00579	0.5
59.01384	100.0
60.01721	1.2
69.03468	0.7
69.97974	1.6
71.01387	12.6
71.30263	0.4
72.99316	0.6
73.02950	3.6
76.25439	0.3
83.01406	2.4
85.02953	5.8
86.10831	0.4
87.00911	1.3
89.02452	5.6
95.01402	1.6
99.00903	1.4
101.02456	8.8
107.05054	1.1
111.00909	0.5
113.02460	7.8
114.02676	0.4
119.03528	1.9
123.00873	0.5
125.02494	1.1
137.09737	0.6
138.06818	0.4
143.03500	1.1
153.09216	0.5
159.03041	0.5
161.04553	3.2
161.13440	0.5
163.11314	1.0
179.05655	0.4
183.03000	1.8
187.11354	1.1
189.12883	0.4
191.07281	0.4
205.12428	0.9
217.01312	0.5
219.14218	0.5
223.13396	5.0
225.14995	4.3
249.11449	0.9
267.12436	4.7
267.15436	0.5
297.13705	0.8
351.18152	0.4
369.19208	11.4
370.19763	1.5
387.20242	9.5
387.24933	0.6
388.20792	1.7
429.21686	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45672	0.7
58.37146	0.7
59.01383	100.0
65.14736	0.6
69.96645	3.3
70.98994	0.8
71.01385	9.9
73.02944	1.1
80.59575	0.8
80.91699	1.1
83.83908	0.7
84.30633	0.7
85.02967	1.8
87.00849	1.0
89.02448	13.1
89.02943	1.0
94.18981	0.7
95.01373	1.0
101.02425	5.0
105.08124	0.7
113.02478	3.9
119.03530	4.9
131.03574	0.9
143.03580	1.5
161.04593	1.5
179.05679	2.8
183.03058	1.9
196.52296	0.7
254.92705	0.8
286.22968	1.0
429.21854	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	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03453	1.3
59.01381	100.0
60.01716	0.9
68.74529	0.4
69.03441	0.4
70.26416	1.3
70.26809	0.9
71.01385	13.3
72.99309	0.8
73.02950	3.1
83.01392	2.2
84.92892	0.5
85.02948	6.1
87.00890	1.1
89.02445	4.9
95.01412	1.7
97.02992	0.6
99.00883	1.9
101.02444	6.8
107.05057	0.6
113.02448	7.0
114.74976	0.6
119.03522	2.0
125.02502	0.9
139.00259	0.4
143.03506	0.5
156.79005	0.5
161.04553	2.6
161.09761	0.5
163.11301	1.6
183.03064	1.3
187.11224	0.9
189.12939	0.6
207.14159	0.5
223.13394	5.5
225.14934	3.6
249.11349	0.6
267.12341	4.7
283.46753	0.4
297.13388	0.6
318.79318	0.5
353.64807	0.4
369.19168	13.2
370.19733	1.7
382.39069	0.4
387.20261	10.5
388.20575	1.0
429.17300	0.8
429.22156	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	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01721	1.5
69.23843	0.8
69.24250	2.8
71.01385	5.8
72.99347	0.5
73.02969	0.4
74.77357	0.3
76.83411	0.4
85.02962	0.9
87.00856	0.4
89.02443	8.9
91.81450	0.4
101.02444	2.7
113.02462	2.4
115.14671	0.4
119.03495	3.8
131.03514	0.6
143.03517	0.4
169.10187	0.4
169.89893	0.3
179.05598	2.0
183.03014	0.6
397.05719	0.7
429.08249	3.2
430.08649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30682	0.6
55.01870	0.7
57.03466	0.9
58.00615	0.7
59.01382	100.0
60.01709	0.9
60.58729	0.5
69.03450	1.1
69.36862	1.3
69.37273	3.1
69.61726	0.6
71.01383	24.0
72.99337	0.8
73.02946	19.5
75.00864	0.7
83.01389	5.9
85.02956	8.3
87.00891	1.0
89.02449	8.7
95.01408	1.8
99.00916	1.0
101.02444	21.0
113.02448	14.7
119.02722	0.6
119.03490	3.0
125.02507	0.9
130.25795	0.7
131.03535	1.5
143.03540	1.7
149.04588	0.8
152.08453	3.9
159.02983	0.8
161.04553	6.3
225.14961	4.6
274.24399	0.6
369.19208	14.4
369.23593	0.9
370.19708	2.5
387.20203	12.7
387.24780	0.8
388.20746	1.7
429.14551	1.7
429.21390	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	429.2129
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01871	1.0
57.03442	1.9
59.01384	100.0
60.01687	1.0
69.60827	4.8
71.01391	18.2
72.99297	0.9
73.02946	6.3
83.01379	1.8
85.02962	7.2
87.00878	1.7
89.02444	10.4
95.01388	1.7
99.00880	1.1
101.02460	11.4
113.02460	8.8
119.03534	4.5
125.02464	1.1
137.09683	0.9
143.03520	1.1
148.96626	0.8
150.00221	0.8
161.04573	1.6
169.88544	0.9
197.15511	1.5
207.13928	2.0
222.17773	0.8
225.14949	7.8
312.13635	0.9
369.19189	25.6
370.19550	3.1
387.15216	1.8
387.20248	34.0
388.20526	3.7
429.21255	3.6
452.97507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
61.79105	0.2
63.85564	0.2
64.36030	0.1
64.55484	0.2
76.62117	0.2
78.34426	0.1
95.17094	0.2
99.00885	0.2
99.35169	0.2
99.92579	5.4
100.92675	0.5
100.93359	7.1
101.93421	0.3
113.92587	0.2
115.92077	100.0
116.92082	5.6
116.92869	6.3
117.92796	0.3
130.94461	0.2
132.92355	1.1
142.77074	0.2
142.94414	0.3
155.95206	0.3
171.94571	0.2
172.95448	4.5
173.95438	0.2
255.23253	0.7
355.15808	0.4
356.16327	0.2
364.38992	0.2
381.17307	0.9
382.17813	0.2
411.18723	0.2
429.19470	3.2
430.19785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76385	0.1
55.01871	0.3
57.03445	0.2
58.00555	0.1
59.01379	9.0
61.98817	0.2
65.00317	0.1
65.03963	5.2
67.01889	2.4
71.01385	3.6
72.95198	0.1
72.99313	0.1
73.02949	1.2
81.03458	0.4
83.01395	0.6
83.05019	0.1
83.11809	0.1
84.10298	0.1
85.02950	1.5
87.00877	0.3
89.02448	1.3
91.01896	4.6
95.01385	0.3
96.96016	0.2
97.02940	0.2
99.00888	0.4
99.04518	0.8
101.02437	1.9
105.03500	0.1
107.01347	0.1
107.05027	0.2
109.02951	38.3
110.03278	1.3
111.00871	0.2
113.02455	1.2
119.03504	0.3
121.02969	0.1
125.02408	0.3
133.02917	0.1
135.00885	19.9
136.01213	1.0
137.02412	0.2
137.09709	0.5
140.01173	0.1
143.03484	0.2
148.01691	0.1
149.20581	0.1
151.03995	0.2
151.11281	0.2
153.01935	100.0
153.12761	0.1
154.02269	4.1
159.03026	0.3
161.02510	0.1
161.04555	0.8
161.09779	0.2
163.04012	0.1
169.01385	0.2
175.04039	0.1
177.01842	0.3
179.05582	0.2
181.63684	0.1
183.02992	1.4
187.11296	0.2
195.02907	0.1
205.12337	0.2
205.15982	0.2
207.02760	0.2
207.13924	0.2
223.13393	1.1
225.14980	1.0
267.12408	0.9
267.16006	0.2
297.06259	0.5
341.50253	0.1
351.18057	0.2
369.19077	0.6
385.11630	0.1
387.20148	1.5
388.20493	0.2
429.04614	0.3
429.10376	4.4
429.21332	2.9
430.10825	0.5
430.21539	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
57.03444	2.5
58.00598	1.5
59.01379	100.0
59.98544	0.7
60.01708	1.4
69.03453	1.8
69.28465	5.4
71.01385	22.3
72.99316	1.8
73.02946	2.4
78.67893	0.6
83.01395	2.0
85.02955	5.3
87.00890	2.5
89.02446	24.3
95.01411	1.9
96.27426	0.7
97.02977	0.7
99.00919	1.1
99.04533	3.3
101.02442	13.0
108.57220	0.6
109.02947	1.0
113.02444	8.6
115.04105	0.8
119.03491	11.4
123.00903	0.8
124.01643	0.6
125.02435	1.5
131.03493	1.1
135.00908	0.8
137.09729	1.5
143.03482	1.2
151.11333	0.7
153.01958	2.7
161.04543	3.3
161.09784	0.9
161.13348	7.2
168.00716	0.8
169.01443	1.2
179.05675	2.8
179.10707	0.6
181.12431	0.7
183.02972	7.1
185.00928	1.1
187.11337	2.0
200.32352	0.6
203.11075	0.7
205.12317	15.2
206.12743	1.2
207.10451	0.8
207.13948	1.9
223.13399	7.3
225.14911	4.2
233.01596	0.6
246.95670	0.7
249.11308	21.4
250.11644	1.5
267.12375	9.1
269.00940	3.2
270.01514	0.8
309.13562	0.8
312.82410	0.7
369.19495	1.4
387.20615	1.8
429.17599	3.4
429.22733	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	429.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15217	0.3
57.03426	0.3
57.09077	0.3
58.35611	0.4
59.01381	5.7
68.99792	0.4
69.03451	1.9
69.17239	3.1
71.01382	2.5
73.02931	0.8
74.26196	0.3
75.00835	0.3
79.01868	0.9
81.03445	1.3
83.01382	0.5
85.02948	2.6
86.00095	0.7
87.00891	2.0
89.02425	0.8
93.03451	0.8
95.01365	2.2
96.99334	0.3
97.02950	1.0
98.20605	0.6
99.00864	0.4
101.02443	1.0
107.01391	1.8
108.02176	48.2
109.02964	46.6
109.03564	0.6
110.03298	1.7
113.02436	0.9
119.03484	0.4
120.35046	0.3
121.02963	1.4
123.00854	2.0
123.04565	0.5
125.02451	2.7
133.02977	0.9
135.00891	1.3
135.04523	0.4
136.01669	0.9
137.02449	1.0
149.02449	1.9
151.00356	0.5
151.04047	1.1
152.00153	0.4
152.01154	27.4
153.01938	100.0
154.02277	4.5
163.04015	0.8
165.01993	0.7
167.03502	1.3
167.58633	0.4
177.01936	3.5
181.76872	0.3
186.42760	0.3
188.10799	0.4
195.02983	5.1
207.03076	0.4
225.04099	1.2
237.04120	0.5
269.00974	0.6
297.06442	0.8
299.08023	0.3
311.02362	0.4
323.99200	0.6
325.03659	0.8
326.06583	1.7
327.07349	2.2
353.03253	0.8
369.08298	1.9
385.07724	1.7
386.08636	0.9
397.05542	2.7
398.06131	0.5
429.10413	27.8
430.10593	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	429.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87957	0.3
54.27504	0.4
59.01382	14.4
60.01698	0.7
60.80259	0.4
61.01788	0.5
61.98832	2.6
69.18827	4.3
69.55888	0.4
71.01385	3.9
73.02953	1.7
75.37046	0.4
85.02956	1.4
87.00876	0.7
89.02448	1.0
93.03464	0.8
95.87175	0.5
99.00868	0.5
101.02454	1.5
108.02169	0.6
109.02952	0.7
113.02448	1.6
121.02970	1.4
122.03301	0.6
123.00806	0.7
124.01672	0.6
125.02443	2.2
133.02939	0.4
137.02467	0.5
139.00359	0.5
153.01917	1.2
160.01598	0.4
161.04533	0.8
161.09872	0.4
163.07625	0.5
168.00687	0.6
169.01396	1.2
177.01952	0.8
179.10696	0.5
183.02985	4.5
185.02406	0.6
197.02281	0.5
200.01103	0.5
201.01997	0.7
211.04088	0.5
213.01930	0.7
213.05542	0.5
217.01413	1.4
224.04761	0.5
225.01895	0.8
225.05608	0.5
226.02684	0.4
227.03484	1.9
229.01390	1.4
230.99443	0.5
232.00125	1.5
240.04272	1.0
241.05048	2.2
242.02347	0.6
243.02896	0.9
244.00154	0.5
245.00957	0.9
251.03455	0.9
253.01497	0.5
253.05017	1.2
253.08650	0.6
254.02405	0.7
254.05608	0.6
255.02985	2.9
255.06651	1.4
257.00916	1.0
257.04614	0.6
265.05170	1.1
267.02908	0.7
269.00967	3.5
269.04395	3.0
269.08139	0.8
269.22754	0.5
270.98911	0.9
271.99615	0.7
281.00986	1.2
281.04501	0.5
281.08228	0.7
282.01541	0.6
283.02802	0.6
283.06100	1.0
283.99976	0.6
284.03256	1.6
285.00455	1.5
285.04044	8.5
285.07199	0.9
286.04379	0.9
287.01865	0.5
287.05624	0.6
294.05203	0.6
295.02466	1.0
296.03198	0.6
297.00369	1.8
297.03992	1.4
297.07703	1.5
298.01141	2.9
301.00009	0.7
301.07095	0.7
303.01334	2.3
305.02902	0.9
309.03918	0.8
309.07425	0.6
310.04807	1.1
311.01880	2.3
311.05170	0.5
312.02936	0.5
313.03525	5.0
313.06934	0.7
321.44278	0.4
323.05710	0.5
324.02747	0.7
325.03424	1.5
325.07208	1.7
326.04248	0.8
327.01465	0.7
327.05057	1.1
341.06613	1.4
345.06100	3.0
353.02887	0.9
353.06741	2.6
369.06082	3.9
370.06747	0.5
397.05649	9.0
398.06064	0.9
401.08725	0.7
411.16586	1.8
429.08252	100.0
430.08572	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	429.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.5
60.01703	0.6
69.33423	4.4
71.01383	3.9
73.02946	0.7
81.85526	0.6
85.02924	1.1
89.02438	2.7
101.02445	2.4
119.03508	1.7
127.10904	0.5
157.53069	0.6
175.40359	0.6
199.04048	0.6
207.13846	0.7
219.02986	0.6
219.30811	0.7
226.02763	1.0
227.03569	3.2
230.99342	1.2
232.00082	2.0
239.03586	1.0
240.04128	0.8
244.00034	1.3
245.00896	1.4
253.05128	1.7
255.02943	2.8
256.03314	0.7
265.04929	0.8
267.03131	1.3
267.76648	0.7
268.03922	0.9
269.00916	3.9
269.04355	0.9
270.01498	0.9
270.98761	1.6
271.02438	1.0
273.03799	0.7
279.03131	0.6
281.01062	1.3
281.04410	1.2
281.07922	0.7
282.01636	1.2
282.05084	0.7
283.02353	1.6
283.06210	1.8
283.99637	1.4
284.03027	1.3
285.00674	1.1
285.03915	1.5
295.02530	1.8
296.03275	0.9
297.00394	3.6
297.04056	3.5
297.07349	1.2
298.01227	4.8
299.01843	1.1
303.01358	1.3
304.18900	0.7
307.05911	0.7
309.04141	1.6
310.04599	1.0
311.02020	6.7
311.05533	0.9
312.02679	2.4
313.03641	0.8
323.99170	5.9
324.02615	1.3
324.99820	3.1
325.03540	14.1
325.07199	0.9
326.00494	1.0
326.03995	2.4
327.01404	3.4
327.05161	1.5
329.02988	0.8
335.01620	1.0
339.01318	0.7
341.06689	0.9
353.02991	19.7
353.06570	1.1
354.03406	2.0
369.06229	3.3
370.06799	0.6
397.05618	37.6
398.06018	5.0
411.16840	0.6
429.08246	100.0
430.08566	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	429.0342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33823	0.4
59.01374	2.7
61.98820	0.7
70.51447	1.3
71.01379	1.9
79.95730	2.4
87.00854	0.8
89.02449	1.1
96.96012	100.0
98.20669	0.4
123.00923	2.5
125.02464	2.9
139.00357	1.0
151.00397	2.6
168.00696	0.6
169.01402	5.9
194.96286	0.4
211.02496	1.5
222.91364	0.5
265.00314	0.7
266.98242	3.1
271.04407	0.9
283.34079	0.5
331.06696	16.5
332.07068	1.0
429.03433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97018	1.3
59.01379	100.0
61.98814	1.5
71.50304	2.3
80.35822	1.3
91.03996	2.6
96.96030	1.6
99.77773	1.3
128.01628	1.5
218.75002	1.4
228.55492	1.4
274.78497	1.8
293.21252	12.2
294.21609	1.8
388.00763	1.7
391.24847	1.7
426.13025	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72952	3.7
59.01384	100.0
64.73060	3.3
71.50298	7.0
73.00434	3.9
201.14932	3.8
229.53296	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09386	1.6
59.01379	100.0
59.68217	1.6
61.98830	3.2
78.95893	1.8
96.38256	1.4
100.49028	1.6
142.18396	1.8
224.57140	2.5
293.21146	4.5
361.34677	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	427.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12774	1.2
57.03439	3.2
59.01381	100.0
60.01722	1.0
61.41534	1.2
61.98818	1.0
66.92182	1.3
69.03429	1.1
71.01380	27.9
71.17899	1.0
72.99321	1.2
73.02554	2.1
73.02946	28.4
78.45539	1.0
80.75890	1.1
83.01389	8.1
84.75115	1.1
84.89071	0.9
85.02963	7.3
85.52242	0.9
86.00116	1.2
87.00882	4.7
89.02438	8.0
93.03476	1.9
97.02943	1.3
98.19855	1.9
99.00840	1.5
101.02443	24.0
109.06615	2.0
113.02458	9.8
119.03504	4.5
123.08143	1.4
125.02441	3.6
125.09702	1.8
131.03474	1.6
135.08237	1.3
137.02397	1.1
137.06068	4.0
137.09737	1.5
143.03517	1.8
149.04506	1.2
151.00375	2.0
151.07642	6.6
153.09215	46.6
154.09554	2.2
161.04541	6.0
161.09764	2.6
165.09192	3.8
169.01395	1.6
175.07642	1.4
175.11363	1.4
176.08411	1.6
177.12781	1.4
179.05573	1.7
179.10722	2.8
187.11261	11.7
189.09180	1.3
190.10022	1.3
203.00415	1.0
203.10809	2.2
204.11458	2.2
205.12326	34.3
206.12698	2.2
209.59595	1.1
215.10776	1.3
223.13385	14.3
229.14246	2.1
229.84814	1.3
233.11801	7.0
259.13409	2.5
265.10556	1.2
277.14362	2.4
315.14404	1.9
352.22073	1.0
357.15561	17.4
358.16043	1.4
367.17624	1.6
409.18579	2.3
427.03302	1.3
427.20319	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	427.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.0
57.03446	1.5
58.00591	1.1
58.43188	1.0
59.01380	100.0
59.31108	1.0
60.01702	1.1
60.38760	1.2
67.18389	1.1
69.40646	3.2
69.41069	5.3
71.01382	23.1
72.01688	1.4
73.02946	21.7
83.01389	7.8
85.02952	7.5
86.00089	1.0
87.00884	3.3
89.02451	9.4
95.01402	1.9
97.02950	1.2
99.00906	1.9
101.02445	23.8
102.02762	1.1
109.06582	2.5
113.02457	9.1
119.03497	3.3
125.02468	2.8
125.09737	1.3
131.03502	1.5
135.08188	2.6
137.06082	4.7
143.03548	1.3
148.12187	1.0
151.00449	1.4
151.07668	4.6
153.09210	51.3
154.09607	2.0
160.01692	1.2
161.04552	4.2
161.09747	3.4
165.09225	3.2
169.01399	2.2
177.12871	1.8
179.05586	1.6
179.10815	1.8
183.02980	2.0
187.11273	11.6
190.10039	1.3
197.02109	1.0
203.10744	1.3
204.11481	2.2
205.12323	35.6
206.12642	2.9
223.09911	1.5
223.13402	13.8
233.11862	6.1
259.13434	2.4
277.14343	1.8
315.14572	2.1
357.15552	19.0
358.15836	1.7
427.19745	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	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01720	1.8
61.98829	2.0
62.37632	0.5
69.21709	1.2
69.22117	4.6
70.55318	0.5
70.75711	0.6
71.01366	0.7
74.63317	0.7
80.94402	0.6
90.02737	0.6
121.02957	41.3
122.03316	2.0
124.01686	0.7
125.02421	4.2
149.99614	2.6
152.19341	0.5
168.00609	3.5
186.43205	0.6
190.09683	0.6
202.64583	0.6
205.12254	3.1
292.54611	0.6
427.12424	5.1
427.19632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08274	1.3
55.01874	3.0
57.03452	2.3
58.00599	1.9
58.34388	1.2
59.01383	87.6
61.98833	12.0
69.34039	5.2
69.34462	5.7
71.01385	32.5
72.99295	2.1
73.02958	12.1
74.99105	1.5
78.95894	1.5
82.95400	2.9
83.01382	7.3
85.02962	15.1
87.00851	2.8
89.02423	5.9
93.03461	3.1
95.01396	4.3
96.96006	4.7
97.02957	1.8
99.00874	5.0
101.02445	33.9
109.02956	1.3
111.00886	1.9
113.02461	16.3
119.03484	2.1
119.05000	1.4
119.46844	1.2
123.00830	3.0
125.02462	11.6
128.03568	2.3
129.02026	1.5
131.02539	2.7
131.03510	46.4
132.03859	1.8
136.04030	3.1
136.99130	1.7
137.02426	4.2
139.00491	1.8
151.00372	1.9
159.03021	2.6
161.04572	14.8
163.04041	1.8
169.01418	12.5
176.37277	1.3
177.01961	1.6
203.07144	3.0
211.02396	3.3
220.03900	1.4
221.04544	1.5
235.11858	100.0
236.12216	6.0
265.07156	5.9
266.06641	3.7
271.04565	3.8
313.05737	2.3
367.16031	22.1
367.19876	1.4
368.16354	1.6
427.08173	12.1
428.12115	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	427.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
57.03442	2.8
59.01381	83.7
59.58045	1.5
61.98823	2.8
62.39870	1.5
69.03465	1.6
71.01012	2.0
71.01383	29.8
71.51456	2.0
72.99332	1.6
73.02949	13.3
75.00880	1.8
79.95748	1.8
83.01366	6.5
85.02955	18.1
87.00884	3.3
89.02431	3.8
95.01408	3.2
96.95988	6.5
99.00867	6.5
101.02444	39.6
107.01373	2.8
108.02151	1.9
113.02451	16.1
119.04966	1.5
123.00866	3.2
125.02447	13.2
127.18628	1.4
128.03580	1.9
131.02554	2.3
131.03497	39.1
137.02472	1.9
139.00316	2.6
143.03485	1.9
151.00325	1.9
153.01801	1.6
159.02951	2.3
161.04573	11.9
163.03966	2.0
169.01436	13.2
171.01816	1.9
211.02502	1.7
215.13461	1.8
220.03702	2.6
235.11859	100.0
236.12231	7.8
262.40549	1.6
265.06921	2.0
313.05606	3.7
315.06143	1.9
340.38156	1.7
341.82034	1.7
367.16010	30.2
368.16251	2.0
420.98718	1.6
427.08017	14.4
428.12155	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	427.088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17177	0.3
55.01900	0.6
57.03448	5.8
59.01382	7.1
61.98830	2.7
62.73053	0.3
67.01902	0.7
67.48997	0.3
68.99812	0.4
69.03446	1.2
69.38783	0.3
71.01380	7.2
71.51565	0.4
71.92441	0.3
72.99313	0.7
73.02951	2.9
77.64878	0.3
78.50039	0.4
78.95919	0.3
79.01894	1.2
81.03474	0.3
83.01394	2.0
85.02951	3.6
87.00886	0.7
88.57799	0.3
88.98824	1.1
89.02432	0.9
91.89478	0.3
95.01367	2.0
96.96015	5.5
96.96951	0.7
97.02953	1.0
99.00890	1.0
101.02446	4.8
107.01394	10.1
108.02174	0.5
109.02947	1.7
111.00887	2.9
113.02449	10.2
119.05013	1.3
123.00881	10.3
123.04524	0.7
124.01669	1.6
125.02446	51.2
126.02759	1.5
127.00376	0.8
128.03519	0.5
134.79518	0.3
136.04053	0.8
136.98840	1.3
137.02513	0.5
139.00375	4.7
140.01176	2.9
141.01909	1.2
145.02936	0.4
149.02435	0.4
151.00359	8.7
151.04024	0.4
151.61674	0.3
153.01939	0.8
161.04546	1.1
163.04007	2.0
167.03479	1.0
168.00635	4.0
169.01422	64.1
170.01767	2.9
177.01845	0.6
177.05565	0.5
179.03560	0.5
181.01254	0.5
193.01373	0.4
203.07191	0.9
205.12360	3.1
211.02489	1.4
211.11411	0.3
220.03780	0.5
221.04477	0.9
221.08199	1.1
223.02493	0.8
231.91374	0.3
241.03481	1.1
253.03481	0.9
265.07184	1.7
271.04556	0.5
297.06174	1.0
307.08154	0.4
313.05640	18.4
314.06000	1.3
337.37775	0.3
427.08752	100.0
428.09109	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	427.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30010	1.1
59.01368	1.7
61.98816	2.7
71.50550	2.1
76.19844	0.9
83.75439	1.1
91.01875	1.0
92.57420	1.0
100.01655	1.0
106.22339	1.2
113.00484	1.1
125.16468	1.1
147.00867	2.1
161.99536	1.8
165.98987	1.5
191.42102	0.9
195.04616	1.1
202.99814	4.4
211.03949	1.4
216.00580	1.3
217.98576	6.8
223.07603	1.1
239.07152	3.5
245.98013	8.9
246.98889	2.3
251.07153	1.4
251.42336	1.1
259.99680	2.0
261.24329	1.1
266.02002	1.5
267.03009	3.3
270.98813	2.1
273.97614	6.0
279.06631	1.0
281.00983	2.0
281.04443	2.0
282.01639	2.0
283.99820	1.1
294.01828	1.3
295.02481	8.8
295.05948	2.0
296.03281	1.4
296.06729	1.8
297.00357	11.8
298.01178	2.3
298.98444	1.3
307.02362	1.1
309.00342	2.8
309.20602	1.6
311.01938	4.1
311.05350	1.4
323.05545	2.4
339.01483	1.6
339.05069	7.1
339.08536	1.3
342.00104	2.3
353.03192	1.4
355.08441	1.6
367.04297	1.8
383.07800	1.9
399.07373	3.7
427.06680	100.0
428.06998	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	425.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64772	0.2
57.26205	0.2
59.01374	2.3
63.23392	0.2
63.64296	0.2
65.03950	0.5
66.62693	0.3
69.91129	1.0
71.01382	0.7
73.02943	0.4
79.64700	0.2
83.01389	0.2
84.44659	0.2
89.02435	0.3
93.03458	61.1
94.03796	1.8
98.20609	0.3
101.02457	0.3
115.92704	0.2
125.02454	0.3
137.02444	100.0
138.02774	4.4
169.01367	0.4
186.71507	0.2
217.61723	0.2
219.13841	0.5
245.11682	0.3
263.12836	1.8
425.14383	0.7
439.70007	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00571	0.9
59.01381	12.6
61.98830	14.5
69.03490	1.2
71.01378	5.7
73.02968	2.2
78.95911	2.1
81.03452	1.8
82.02977	3.2
83.01408	0.9
85.02535	0.8
85.02940	4.7
89.02456	1.4
93.03491	1.2
95.01385	1.5
96.96035	1.0
97.02962	0.8
98.19854	1.9
99.00870	2.1
101.02438	6.6
103.35374	0.7
108.02175	53.8
109.02966	33.8
110.03302	1.3
113.02449	3.5
121.02983	2.3
123.00887	2.4
123.04551	1.6
125.02435	6.9
128.03543	78.3
129.03836	2.3
131.03490	6.5
134.04750	1.1
135.04547	1.3
141.01956	0.7
151.00406	1.4
151.03929	1.8
152.01154	70.8
153.01941	38.5
154.02298	1.7
161.04573	2.6
163.03993	3.2
165.01964	2.8
169.01387	7.1
170.01810	1.4
175.04039	1.4
177.01869	1.1
179.03523	1.4
179.05598	0.9
202.59883	0.8
211.02412	1.8
229.03970	1.0
230.05540	0.9
235.11862	13.2
271.04599	2.4
297.06122	11.2
298.06619	0.9
313.05930	1.6
314.05798	1.0
315.07370	0.9
367.15875	6.0
395.44995	0.9
408.08127	3.0
426.10437	100.0
427.10620	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	423.2902
Annotation	1-Octadecyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
53.31742	0.6
56.79244	0.4
66.48401	0.5
69.34167	0.5
78.95905	0.7
98.20741	1.2
108.02171	12.8
119.05023	1.1
121.02917	0.9
122.02900	0.9
122.03741	11.1
135.04539	5.3
136.01660	1.6
149.06065	1.6
177.09224	0.9
205.12354	1.9
219.13838	0.8
247.17068	0.8
255.23212	4.8
261.18240	0.6
303.23285	0.7
379.71555	0.5
395.29224	1.1
405.28415	0.7
423.29037	100.0
424.29388	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	424.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08500	2.7
61.98833	100.0
73.23900	3.9
73.54887	3.4
74.98588	3.3
77.83835	3.3
88.95479	3.4
103.01232	3.7
196.13567	3.9
256.23758	4.1
313.83200	3.6
337.22705	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	423.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.6
58.00593	1.1
59.01383	20.5
61.98821	1.1
63.88081	0.9
69.25506	3.7
69.25932	3.4
71.01383	11.8
73.02948	77.9
74.03291	1.0
83.01361	1.1
83.54001	0.8
85.02951	3.2
89.02445	10.6
96.26237	0.9
101.02443	4.1
108.02176	1.2
113.02445	4.2
119.03513	3.1
119.04961	0.9
125.02422	1.8
125.09734	13.9
134.89206	0.7
135.04535	2.0
136.04868	1.5
151.00360	0.9
161.02495	1.2
167.44388	0.8
169.01399	1.6
169.08699	6.7
181.12344	4.9
199.13394	16.0
200.13785	1.3
201.11339	1.6
217.05171	0.8
223.30034	0.9
225.11253	3.5
243.12373	100.0
244.12698	6.9
261.13428	2.9
343.09836	1.1
423.05701	2.6
423.18713	25.7
424.05466	1.4
424.19080	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	423.2902
Annotation	Dankasterone A
Peak:m/z	Relative Intensity
51.79115	0.6
65.03967	2.2
71.50385	0.8
78.95907	11.0
79.05499	0.7
92.20974	0.6
93.03471	1.8
107.05031	78.1
108.05379	2.8
110.98543	7.3
121.02973	2.8
146.87267	0.6
167.01158	8.3
176.58058	0.6
185.02277	2.2
214.10358	0.6
255.23285	80.1
256.23666	8.6
287.23975	1.9
315.23294	10.3
316.23605	2.0
410.47543	0.7
423.29208	100.0
424.29517	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	423.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01233	0.7
55.01856	1.2
57.03418	1.1
59.01385	6.9
59.29230	0.8
61.98832	7.2
66.67435	0.8
68.99812	0.9
69.03436	1.5
71.01387	6.2
71.01716	0.9
71.52020	1.1
72.99316	1.6
73.02943	1.5
77.41243	0.8
81.03436	1.0
83.01406	4.4
85.02972	1.8
87.00838	1.4
89.02430	1.0
97.02932	1.2
97.06587	0.8
99.00856	4.5
99.42779	0.9
101.02475	1.5
107.01382	6.6
109.06617	1.5
111.00873	3.2
111.08175	1.3
112.98805	11.4
115.00349	2.8
118.39988	0.8
123.00838	1.8
123.04529	0.9
124.01653	1.0
125.02447	42.1
126.02781	1.6
129.01942	3.1
137.06145	0.8
139.00352	2.3
139.07681	1.0
140.01166	1.8
142.99843	7.0
149.06114	1.1
153.05576	2.8
154.99846	7.5
156.00620	2.5
165.07608	1.1
167.07140	5.1
168.00662	4.2
169.01424	100.0
170.01765	3.8
173.00909	6.3
174.01691	92.3
175.02277	5.4
193.05037	3.7
195.06633	2.8
209.08202	2.4
211.02499	3.9
211.06195	2.7
216.82199	0.9
255.08781	7.0
271.08292	5.5
323.64682	0.8
325.01923	1.4
326.02786	26.2
327.03174	2.1
386.41382	0.8
393.01151	1.0
411.17664	0.8
423.09262	17.3
423.16653	2.7
423.24213	1.3
424.09714	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0929
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
51.89684	0.4
55.01876	0.8
57.03426	0.5
59.01382	2.8
65.00285	0.4
67.01878	0.8
69.03432	1.1
71.01382	5.7
72.72002	0.4
72.99334	0.6
73.02950	1.7
79.01885	1.5
81.03440	0.9
83.01384	1.4
85.02940	3.7
87.00906	0.6
89.02428	1.4
95.01370	2.5
97.02950	1.4
99.00883	1.2
101.02457	3.0
106.46647	0.4
107.01389	7.2
108.02168	6.5
109.02948	15.8
110.03272	0.9
110.98624	0.5
111.00883	2.5
113.02455	2.9
119.04984	2.1
123.00884	14.8
124.01669	1.8
125.02444	35.6
126.02795	1.3
127.00368	0.9
129.01912	0.7
134.06055	0.5
135.04424	0.5
136.98811	1.4
139.00385	6.0
140.01143	3.4
141.01933	1.0
145.02982	1.2
151.00359	10.3
151.03967	0.8
153.01918	0.8
161.04530	0.6
163.03976	1.1
167.03528	0.6
168.00642	4.9
169.01418	45.7
170.01753	2.3
180.06622	1.2
190.37672	0.5
206.04471	0.6
211.02437	1.0
222.07716	0.5
229.12173	0.5
241.03572	0.7
253.03412	0.6
297.06018	1.0
313.05618	10.1
314.05939	1.1
349.43665	0.4
369.82626	0.5
423.09332	100.0
424.10120	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	422.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	69.9
66.09460	3.2
69.56676	5.2
69.57085	12.4
78.95911	14.5
98.20646	3.3
104.56908	2.6
110.98523	13.7
167.01132	8.3
185.02174	9.7
255.23277	100.0
267.90491	3.1
287.09161	3.0
330.08975	2.9
405.81580	3.1
423.25195	15.3
436.10382	3.5
440.20923	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	422.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60783	3.3
53.76337	2.8
57.20844	3.2
58.85917	2.7
61.98832	100.0
63.54790	3.3
69.83760	17.0
193.82808	3.6
208.09256	3.7
297.75241	3.6
330.90424	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	423.06
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.6
61.98804	2.0
71.01380	6.5
71.50703	1.1
71.51077	0.9
72.99310	2.0
73.02917	0.9
74.02494	0.8
74.18491	0.7
75.00861	1.8
79.95358	1.0
79.95738	10.4
80.96465	0.9
82.87276	0.8
83.01351	1.3
85.02921	2.6
88.98786	1.0
89.02456	4.8
93.03446	1.8
95.01370	1.6
96.96023	4.4
99.00877	1.5
101.02427	4.2
107.01376	1.4
107.04920	0.8
108.02137	1.0
109.02898	3.1
113.02423	2.2
119.05029	87.1
120.05362	5.0
121.02952	0.8
123.00845	3.8
125.02435	7.3
128.03500	1.4
135.03537	1.0
135.04521	15.4
139.00356	1.4
143.04579	1.1
145.02907	0.9
151.00328	2.5
160.03978	2.3
161.02290	0.8
161.04439	0.9
163.00246	1.6
163.04008	32.9
164.04286	3.3
169.00269	0.9
169.01434	10.7
177.05602	1.0
181.03685	1.1
181.05061	14.7
189.01831	1.2
190.99788	1.3
191.03418	1.0
193.01225	1.0
199.00705	32.8
200.00992	1.2
210.01414	0.9
215.00194	19.8
223.06052	1.2
229.01337	1.3
242.99692	4.8
247.02428	2.1
249.03958	1.4
257.00784	1.0
261.00742	13.6
262.01044	1.5
272.08585	0.9
275.01758	2.2
291.06830	0.9
300.99899	10.6
302.00125	1.8
304.05951	0.8
305.06171	1.1
313.05597	1.4
343.10312	6.3
363.16373	2.8
393.04257	1.1
407.04178	1.6
423.05710	100.0
424.05994	11.6
424.14493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24543	1.6
60.19295	1.6
65.92859	1.8
70.92040	3.9
80.96516	2.9
121.56213	1.6
151.86073	1.7
163.11288	100.0
164.11581	6.9
256.40164	1.8
339.23303	70.6
340.23764	8.9
421.27246	10.1
439.70120	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	422.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	10.2
59.01375	15.6
69.56908	6.7
69.57320	16.2
71.01364	6.0
72.00878	3.9
74.02477	15.9
85.02980	4.5
85.03505	3.4
86.02499	7.1
87.05650	7.1
88.79092	3.4
89.02470	4.9
97.04085	3.5
99.05647	12.8
101.02494	4.2
109.02935	5.6
125.02454	8.8
128.03548	38.0
141.06732	5.2
143.04622	61.5
144.04893	4.9
146.04585	3.9
148.50511	3.0
153.06664	5.6
160.00734	13.2
167.04524	5.4
167.08270	3.1
169.01413	7.7
179.04604	8.9
191.03476	4.0
210.08810	12.6
217.01225	5.2
218.02130	5.1
246.01758	12.8
247.02449	16.7
254.07776	12.7
261.13452	6.8
272.08771	22.7
288.06583	9.0
306.04129	5.7
306.07654	100.0
307.07864	7.2
358.37512	3.4
365.48386	3.5
379.06601	15.4
423.04724	5.3
423.09381	13.5
423.18427	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02811	8.9
57.26748	6.8
59.01377	12.7
69.42883	23.5
69.43288	35.9
77.16358	7.6
110.64176	7.9
124.73707	7.4
125.02293	8.9
127.51767	7.5
131.96164	7.6
140.03043	7.6
166.72072	8.5
173.23830	7.2
181.76883	7.8
184.02017	6.9
185.59343	8.7
225.93724	8.3
287.34500	7.5
421.16370	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	421.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51064	2.9
50.77230	3.1
52.22495	3.6
54.37526	2.5
57.03466	3.7
59.01376	38.6
59.06047	3.2
61.98822	6.7
68.40496	2.9
68.81686	2.8
69.70201	14.7
71.01374	17.8
74.99095	3.2
85.02936	4.7
87.00871	3.6
88.17708	3.0
89.02451	8.5
93.03474	3.8
101.02475	5.4
108.02161	9.7
113.02450	4.0
116.92825	5.4
120.01251	4.1
123.00870	3.9
125.02446	20.9
130.60304	3.7
135.04527	7.4
137.02382	4.5
151.00345	7.9
153.01733	3.2
163.03937	4.1
165.01907	3.2
181.48137	3.4
197.11861	4.0
215.07137	4.7
241.10738	5.6
253.04744	3.6
259.06070	50.7
260.06256	6.5
342.09851	3.9
377.18192	8.9
421.11124	5.2
421.16302	100.0
421.20752	8.3
422.05298	4.5
422.10919	5.3
422.16650	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	35.1
59.19448	4.7
60.79314	4.1
61.33216	4.3
61.71198	4.7
61.98832	7.7
69.62070	17.6
69.62490	11.7
71.01395	17.1
72.37833	4.3
73.02943	6.1
79.24581	4.5
85.02958	8.6
89.02440	8.5
94.42394	4.7
99.00832	4.4
101.00357	4.6
101.02428	11.2
101.38566	4.0
109.03004	7.4
113.02464	8.2
116.19769	4.3
116.92870	9.4
117.41259	4.3
120.01261	4.5
125.02453	28.5
135.04521	10.9
152.01151	5.5
153.01758	4.0
161.02475	5.4
215.07176	9.8
241.04933	5.1
241.10960	5.7
248.85909	4.5
259.06128	54.9
259.11734	7.3
260.06189	6.0
377.18402	9.6
421.10684	9.6
421.16229	100.0
421.20703	9.2
422.11014	10.0
422.16779	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	421.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33942	7.9
59.01385	91.8
61.98841	12.3
71.01369	19.2
72.00904	18.3
73.02946	12.2
74.02460	23.7
85.02924	9.2
86.55106	8.0
89.02450	25.9
96.96047	10.6
101.02425	13.3
113.02482	12.1
118.05125	62.5
119.05496	16.2
120.99660	17.1
123.00882	11.8
124.01645	22.3
127.07669	8.9
139.00438	8.2
139.04005	32.0
140.04364	17.4
162.03014	8.9
168.00604	16.6
177.05559	26.0
178.01540	7.9
178.05867	16.3
221.04649	15.8
222.04807	12.8
234.07883	7.9
259.06168	19.2
340.10245	25.4
341.10684	100.0
342.10782	8.8
421.06671	19.3
421.16006	23.1
421.20358	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06412	1.6
55.01879	6.6
56.98011	1.7
57.03443	7.7
58.00600	3.1
59.01380	79.7
61.98827	3.2
65.07023	1.7
65.95805	1.9
69.03460	2.4
71.01382	69.0
71.51673	3.4
72.01733	2.2
72.99277	4.9
73.02947	25.3
75.00890	2.4
75.57505	1.7
81.21340	1.7
83.01388	15.5
85.02947	38.2
86.03259	1.8
86.82182	1.8
87.00867	2.7
89.02467	12.6
95.01352	9.0
97.02993	2.3
99.00867	12.3
101.02443	72.1
102.02785	2.8
102.46175	1.8
107.01357	2.2
111.00922	2.3
113.02457	30.5
119.03479	3.2
122.99120	31.6
123.00914	10.2
123.99922	2.8
125.02466	12.8
131.03514	39.4
135.11807	7.9
137.02420	4.9
139.00368	3.1
140.01193	3.4
143.03491	3.4
150.98654	2.2
151.00336	5.8
159.02979	8.2
161.04562	34.5
161.09714	3.5
166.98073	3.2
168.00606	3.7
169.01427	13.6
179.10771	47.6
180.11131	2.3
180.99655	2.1
181.06705	1.8
199.13327	3.8
223.09760	29.4
224.10007	3.4
254.39552	1.7
258.03531	26.2
259.04160	8.1
265.10736	3.2
270.40848	1.8
289.16550	100.0
290.16943	7.4
367.74130	1.9
385.15201	2.5
421.11404	33.3
422.11075	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	421.1138
Annotation	Benzyl 6'-O-galloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.00321	0.3
55.01865	0.6
56.82576	0.3
57.03449	0.7
57.89609	0.3
59.01110	0.5
59.01382	7.9
64.91870	0.3
67.01890	1.1
68.99815	0.5
69.03467	0.5
69.64991	0.3
69.69655	0.6
69.70070	1.4
71.01385	5.5
72.99309	0.9
73.02937	2.0
79.01884	1.3
83.01398	2.1
85.02953	2.9
87.00869	0.6
95.01385	2.9
95.61267	0.3
97.02954	1.1
98.19990	0.6
99.00871	1.1
100.72348	0.3
101.02448	4.0
107.01389	4.6
111.00889	3.1
113.02433	1.8
119.04970	0.3
120.99650	0.5
121.02951	0.5
123.00889	17.6
124.01733	1.7
125.02454	18.1
126.02787	1.0
127.00378	1.1
136.98828	1.9
137.02443	0.4
139.00371	7.7
140.01172	4.9
141.01979	1.9
149.99593	0.5
151.00366	13.7
151.04019	0.4
152.00694	0.6
153.01901	0.5
154.99883	0.6
168.00627	4.0
169.01424	21.2
170.01749	0.9
181.01367	0.4
181.05130	0.4
185.11813	0.3
226.26257	0.3
253.03546	0.7
313.05719	1.8
320.91980	0.4
421.11404	100.0
422.11771	14.8
422.17517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67637	4.5
61.98829	100.0
70.80126	18.3
162.64902	4.3
176.05293	4.1
196.10353	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	420.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19183	5.2
61.98834	100.0
71.50043	6.4
78.95908	13.9
80.96517	55.9
107.05013	12.1
110.98550	28.9
141.50664	4.7
151.62349	4.4
185.02200	58.3
253.21735	17.1
280.77521	5.5
421.22504	10.9
421.27594	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	420.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14915	3.0
61.98829	100.0
68.10552	2.6
70.98570	6.4
102.07098	3.3
291.22351	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	419.1347
Annotation	4-deoxyphloridzin
Peak:m/z	Relative Intensity
52.23081	0.2
57.44420	0.2
59.01378	2.2
62.14151	0.3
65.03963	3.9
71.01361	0.9
73.02943	0.5
80.24553	0.3
83.01372	0.4
85.02937	0.4
89.02426	0.6
91.01872	0.6
93.03462	3.2
101.02438	0.9
104.96777	0.3
107.05032	8.5
108.02206	0.6
109.02951	5.6
113.02428	0.7
122.03709	1.2
125.02446	0.7
133.02919	0.3
135.00877	1.8
137.02441	1.5
145.47218	0.3
149.02322	0.6
150.03206	2.4
151.04005	100.0
152.04347	4.9
163.03993	2.2
169.01384	0.4
193.05017	0.4
218.96230	0.3
257.08185	52.4
258.08514	5.2
299.09375	0.3
344.10019	0.8
419.13565	16.8
419.21545	1.4
420.13611	2.3
420.22498	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
57.03436	1.4
59.01382	100.0
60.01727	1.1
60.10152	0.9
69.23016	8.3
69.75089	0.8
71.01386	7.9
73.02975	0.9
73.48411	0.9
85.02955	2.8
89.02440	9.8
97.06588	1.9
99.00871	1.4
101.02440	5.2
108.02142	1.2
109.37177	0.9
113.02472	4.3
119.03484	3.2
123.00847	1.5
125.02448	2.9
137.02431	1.4
143.03517	0.9
153.12859	17.9
161.04602	0.8
168.05199	0.9
169.01401	3.0
179.05527	1.9
179.10779	5.7
181.90749	0.9
192.59979	1.1
197.11852	32.5
198.12157	2.2
233.44188	0.8
257.11917	1.9
258.74829	1.0
297.37885	0.8
345.09869	1.2
376.16739	1.5
419.04211	1.8
419.09717	3.4
419.22739	7.0
419.30194	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	419.1197
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01872	0.9
57.03434	0.5
58.00610	0.5
59.01380	10.8
59.68710	0.5
61.98820	0.5
67.01896	1.0
69.03429	0.8
70.98806	1.1
71.01381	10.3
72.99302	0.9
73.02951	4.0
79.01904	1.0
83.01385	2.1
85.02951	5.8
87.00882	0.8
87.17798	0.5
89.02457	3.3
90.08878	0.4
95.01402	2.2
97.02910	0.6
99.00884	1.1
101.02445	7.9
105.05557	1.0
107.01393	4.6
111.00884	2.2
113.02449	4.1
119.03563	0.6
123.00891	14.9
124.01680	1.5
125.02454	20.4
126.02798	0.5
127.00414	0.7
136.98810	1.0
137.02469	1.2
137.68626	0.4
139.00360	4.7
140.01140	3.0
141.01898	1.8
143.09662	0.5
151.00378	10.3
152.00642	0.5
153.01936	0.7
155.10719	0.7
159.02946	0.7
161.04510	2.2
163.04048	0.5
168.00641	3.1
169.01431	27.9
170.01775	0.9
181.05026	0.5
211.02486	2.3
213.14983	1.0
271.04559	2.6
304.06287	0.6
313.05688	3.0
419.11963	100.0
419.18628	4.3
420.12268	11.2
420.18869	0.7
420.19995	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1198
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.37330	0.4
55.01867	0.8
57.03454	0.7
59.01385	7.5
63.86808	0.4
66.44393	0.4
67.01888	0.9
68.99818	0.6
69.03461	0.9
70.69257	0.5
71.01392	6.5
71.30039	1.0
72.99295	0.6
73.02947	2.2
74.02460	0.5
74.22371	0.5
79.01879	0.6
81.03467	0.5
82.02983	0.5
83.01398	1.3
85.02967	4.0
87.00875	1.0
89.02444	2.7
95.01402	2.0
96.96021	1.5
99.05654	0.6
101.02467	5.8
105.05584	1.1
105.99668	0.5
107.01398	5.5
111.00874	2.6
113.02477	2.9
119.03466	0.8
120.99651	0.8
123.00008	0.7
123.00900	15.3
123.04516	0.5
124.01711	0.8
125.02457	19.2
126.02805	0.6
127.00394	0.9
128.03532	1.6
136.98834	1.6
137.02483	0.5
139.00395	6.3
140.01178	3.8
141.01967	1.3
143.04622	1.2
151.00372	11.9
153.01942	0.7
164.28354	0.5
165.01950	0.5
165.78424	0.5
167.62732	0.5
168.00676	3.9
169.01439	26.1
170.01802	0.8
211.02531	2.5
223.02542	0.6
240.08693	0.8
253.03670	0.7
271.04446	2.3
304.06274	0.8
306.07672	0.8
313.05606	2.5
363.33575	0.5
419.11972	100.0
420.12000	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	419.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50310	0.9
53.51155	1.2
58.00571	1.0
58.02947	1.5
58.49817	1.1
59.01381	39.2
61.98809	1.1
67.01864	1.3
69.63459	3.9
69.63873	2.5
71.01381	22.2
72.99290	1.5
74.02452	3.6
78.95890	1.6
79.00552	1.1
83.01364	1.9
85.02975	5.0
86.02479	1.5
87.00877	30.9
89.01955	1.7
89.02445	25.3
95.01352	2.0
96.96019	9.6
96.96574	1.4
96.96922	2.8
99.05611	2.8
100.73425	1.0
101.02447	17.4
102.06726	1.2
102.42868	1.0
105.01889	5.6
107.01344	4.8
111.00847	1.9
113.01852	0.9
113.02436	10.2
119.03496	10.5
121.02782	1.1
123.00820	4.1
124.01635	2.3
125.02451	25.9
127.00350	1.3
128.03545	9.2
131.03473	2.0
139.00325	2.6
139.51950	1.0
140.01076	3.3
141.01872	1.9
141.06700	1.1
143.03587	1.5
143.04622	11.6
151.00359	2.3
160.00668	3.5
160.03963	3.5
165.01767	1.3
167.03389	1.6
168.00648	11.9
169.01427	37.2
170.01759	1.2
179.97350	1.0
202.42760	1.1
210.08752	1.6
211.02473	46.3
212.02687	3.5
254.07732	4.3
267.07202	85.5
268.07614	6.2
271.04581	36.9
272.04691	1.9
272.08746	4.9
288.06503	1.9
306.07611	19.8
313.05542	1.4
331.06723	2.0
353.20200	1.0
419.08011	100.0
420.08368	11.7
420.13181	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	417.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41608	4.8
59.01383	100.0
65.03517	4.8
66.91845	4.7
149.46898	5.3
209.78896	5.6
289.05469	19.8
294.43777	5.8
337.80310	5.8
391.14719	6.9
405.94803	5.3
412.68109	6.1
417.21130	41.3
418.21216	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	418.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49640	1.3
61.98830	100.0
64.52712	1.4
70.64607	2.9
70.65002	3.3
78.95882	1.6
85.60025	1.9
120.91191	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2651
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
53.48809	0.5
59.01385	0.8
70.01183	0.5
70.53555	0.4
70.89520	0.5
71.50564	0.7
78.30544	0.5
86.81510	0.5
117.03475	16.6
118.03789	0.8
119.05029	7.4
121.02962	1.0
133.02939	0.5
145.02966	100.0
146.03282	5.9
153.73439	0.5
163.04045	5.2
209.34839	0.5
271.22833	7.7
272.23218	0.6
331.26364	1.1
359.98343	0.5
399.25107	1.6
417.26471	25.3
418.26794	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	417.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48809	0.5
59.01385	0.8
70.01183	0.5
70.53555	0.4
70.89520	0.5
71.50564	0.7
78.30544	0.5
86.81510	0.5
117.03475	16.6
118.03789	0.8
119.05029	7.4
121.02962	1.0
133.02939	0.5
145.02966	100.0
146.03282	5.9
153.73439	0.5
163.04045	5.2
209.34839	0.5
271.22833	7.7
272.23218	0.6
331.26364	1.1
359.98343	0.5
399.25107	1.6
417.26471	25.3
418.26794	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	417.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.6
58.00616	0.6
59.01383	100.0
59.22956	0.4
60.01729	1.3
69.29067	4.3
71.01384	6.6
72.99313	0.7
73.02959	2.3
83.01376	1.1
85.02966	2.8
87.00940	0.5
89.02441	3.9
95.01428	0.5
99.00867	0.6
101.02435	4.8
106.74297	0.4
112.44495	0.6
113.02441	3.1
119.03529	1.6
152.01151	0.6
161.04573	2.5
237.15044	1.5
248.05609	0.6
341.11319	1.1
345.06470	0.6
375.23984	2.1
417.20752	4.4
417.26086	0.6
418.21689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.8
59.01380	100.0
59.91798	0.7
60.01720	0.9
69.22872	4.1
69.23279	2.2
70.98805	0.7
71.01383	1.0
83.05026	1.5
83.70197	0.8
87.60122	0.8
93.85181	0.8
98.19884	1.4
101.02468	0.7
105.82887	0.7
111.08173	3.3
125.09728	1.8
173.08241	3.0
187.09825	2.3
205.19923	0.8
217.01550	0.8
238.51317	0.8
261.07806	0.8
316.14539	0.9
374.18954	2.8
388.49838	0.8
417.21262	2.1
422.61047	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.7
57.03454	1.2
58.00593	1.7
59.01380	100.0
60.01727	1.3
69.47953	2.0
69.48357	1.4
71.01383	23.8
72.01732	0.8
72.98886	0.6
72.99313	1.4
73.02959	2.4
77.63666	0.5
78.33886	0.5
79.21795	0.5
83.01398	1.2
84.02184	0.6
85.02955	5.9
85.36215	0.5
87.00890	1.6
87.04520	0.6
89.02446	27.4
91.01880	0.5
95.01401	2.6
99.04543	2.3
101.02438	13.7
108.02228	0.6
112.14702	0.5
113.02458	9.1
119.03515	11.9
119.04956	3.5
125.02435	2.9
131.03542	1.1
135.00903	1.1
143.03519	1.7
149.04541	0.9
161.04631	2.1
165.01906	0.8
167.10785	0.9
169.01511	0.9
176.01158	0.6
179.05661	2.7
193.01430	1.4
209.06186	0.5
218.99466	0.8
219.13927	0.7
237.14970	18.0
238.15355	1.2
244.00089	0.7
255.02838	0.6
255.06682	3.1
263.08270	0.6
271.99799	1.1
297.07870	0.6
301.03571	0.9
304.02353	1.5
323.10355	0.9
338.12662	1.5
341.06711	1.5
345.06274	1.5
355.08252	1.7
355.13068	3.2
363.42847	0.6
373.09543	1.1
375.23599	0.6
385.14090	3.0
417.08484	1.6
417.20990	15.3
418.08090	0.8
418.21332	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00203	0.7
59.01381	100.0
60.01710	1.2
61.98820	0.7
64.60387	0.7
83.05054	0.8
86.21290	0.6
97.67345	0.8
100.47052	0.6
114.92409	0.6
115.70995	0.6
121.60775	0.7
129.52802	0.7
165.23630	0.8
171.10294	1.0
179.36357	0.7
183.03040	1.9
195.13930	0.9
225.15016	1.1
343.24915	7.3
344.25433	1.1
380.42743	0.7
388.43884	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90060	0.6
55.01884	0.8
57.03444	1.3
58.00595	1.4
59.01380	71.0
60.01705	0.9
64.67931	0.6
67.21372	0.6
69.03461	0.8
69.28609	2.6
69.29035	2.6
71.01383	33.6
72.01719	0.8
72.99318	1.9
73.02948	28.2
74.03275	1.0
75.08295	0.6
83.01395	7.7
84.62363	0.5
85.02952	7.4
87.00877	4.1
89.02450	15.2
90.06862	0.7
92.46938	0.5
95.01392	2.4
97.02926	0.7
98.19923	1.0
99.00883	1.3
101.02444	26.6
105.09605	0.6
113.02453	11.4
119.03510	4.5
125.02431	1.5
131.03520	0.6
143.03555	0.7
161.04553	2.0
172.34506	0.6
183.13820	0.9
195.13890	17.9
196.14209	1.8
213.14941	7.2
237.15317	0.6
322.51382	0.7
357.19147	13.8
358.19427	1.8
375.20212	33.4
376.20660	4.6
417.21280	100.0
418.21606	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68270	0.7
54.20313	0.7
55.01859	1.7
57.03442	1.8
59.01379	100.0
61.98831	7.9
69.94050	3.1
71.01381	33.3
72.01720	0.9
72.99302	1.3
73.02945	10.3
83.01392	4.0
85.02950	14.0
87.00877	0.9
89.02446	7.7
95.01379	1.5
97.02964	0.8
98.19931	1.2
99.00851	3.3
101.02448	20.7
102.02778	1.2
104.70465	0.9
113.02446	15.1
117.97301	0.9
119.03485	2.5
125.02383	1.9
137.02432	0.9
139.07652	10.1
143.03456	3.4
159.02957	3.8
161.04547	42.0
162.04929	1.8
165.09195	2.5
166.45175	0.8
179.05592	1.0
195.10265	2.3
219.10442	0.9
357.15527	17.7
358.15729	2.6
362.23563	0.8
417.17526	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.8
57.03440	1.4
58.00597	2.9
59.01379	100.0
59.85735	1.0
60.01693	1.2
69.48801	5.1
69.49216	1.6
71.01379	53.8
72.01742	1.2
72.99309	3.9
73.02934	1.5
73.55389	1.0
83.01376	1.8
85.02957	10.3
85.44366	1.0
87.00883	4.0
89.02445	78.8
90.02785	1.6
95.01396	3.8
97.18296	1.0
99.04523	19.2
101.02442	27.7
113.02454	21.6
119.03503	36.7
131.03502	2.2
135.85971	1.0
143.03516	5.4
149.04553	2.3
161.04533	3.9
163.14853	1.8
179.05620	13.2
237.14952	65.3
238.15382	5.3
255.16112	1.4
301.03433	2.3
417.21088	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	417.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38597	6.2
57.03440	7.7
59.01379	100.0
66.69920	6.7
70.79957	5.5
71.01392	29.7
73.02927	7.6
83.01360	7.1
85.02964	16.8
89.02450	16.4
91.01909	10.9
93.03444	6.4
99.92571	11.3
101.02442	18.6
113.02435	10.9
115.92072	6.8
119.05019	29.1
123.00896	8.2
125.02377	9.5
135.00920	18.3
149.06041	8.0
153.01945	15.1
154.60246	5.5
161.04506	9.1
173.06049	6.6
180.06665	13.2
181.01469	14.5
181.06981	11.4
182.02266	9.9
183.02837	5.7
209.05579	5.8
229.99333	5.9
235.88550	5.5
255.06677	37.1
399.12494	6.4
417.07938	10.1
417.13077	33.6
417.21457	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08121	1.0
55.01878	1.3
57.03433	2.6
59.01379	100.0
60.01704	1.7
60.97516	1.2
61.98820	1.4
69.28748	2.2
69.29154	8.6
71.00995	2.2
71.01380	22.7
72.99297	1.8
73.02946	7.4
76.27654	1.1
83.01376	3.4
85.02957	10.5
89.02421	3.9
93.03451	2.4
95.01350	2.4
97.15400	1.2
98.39985	1.2
98.54185	1.2
99.00877	4.4
101.02433	17.5
113.02445	11.4
125.02401	1.9
133.46420	1.3
137.02420	4.3
159.02966	3.7
161.04561	30.1
162.04945	1.5
165.09187	3.7
166.02539	1.3
169.01378	1.4
181.05002	2.3
233.45232	1.2
271.93811	1.4
276.94238	1.2
357.15402	14.1
358.15973	1.6
417.13095	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	417.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
58.00591	1.0
59.01380	24.1
59.88548	0.3
60.01705	0.5
61.98816	0.6
71.00146	0.5
71.01383	13.6
71.01780	0.7
72.99314	1.1
73.02956	1.4
73.95750	0.3
83.01411	1.2
85.02949	3.2
87.00877	1.0
89.02447	12.5
90.02788	0.4
91.01893	14.4
91.29011	0.3
92.02239	0.5
93.03475	0.8
95.01396	1.4
98.99128	0.3
99.00888	0.6
99.04511	4.3
101.02436	8.2
107.01373	0.4
108.02176	1.0
113.02451	4.7
119.03568	4.5
119.05026	98.6
120.05361	5.0
123.14124	0.4
125.02442	1.6
130.14238	0.4
131.03450	0.4
135.00885	39.1
136.01241	1.6
143.03485	0.5
145.03026	0.4
148.01659	2.2
149.02405	0.8
149.04562	0.5
150.05670	0.4
151.03960	1.2
153.01935	11.0
153.23859	0.3
154.02321	0.6
161.04558	1.4
163.14952	0.5
164.22743	0.4
167.10773	1.0
169.01395	0.6
175.14917	0.4
179.05605	1.6
180.00648	0.8
203.03587	0.5
218.05800	0.5
227.03587	0.4
233.08203	0.4
237.14949	16.6
238.15245	0.8
254.05829	0.5
255.06615	100.0
256.06949	9.9
284.03024	0.4
285.04062	0.5
297.07498	0.6
301.03595	0.6
323.10019	0.4
327.01242	0.4
338.12579	0.5
341.06662	1.2
345.06180	0.9
355.12744	0.7
385.14215	0.6
389.08664	0.5
400.08102	0.7
417.07281	0.7
417.11984	1.3
417.21152	18.2
418.21716	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99647	0.6
52.14364	0.5
53.53959	0.7
55.01871	1.3
56.74551	0.7
59.01388	6.6
65.00338	0.8
69.03468	1.2
69.15403	2.2
69.15822	4.2
71.01382	7.6
72.99316	1.4
73.02962	2.9
75.00876	0.8
77.76026	0.5
79.01924	2.2
81.03453	0.9
83.01418	3.0
85.02975	5.3
87.00916	1.0
89.02474	1.4
93.20750	0.6
95.01408	2.4
97.02955	1.0
99.00923	1.9
101.02436	5.4
106.07369	0.7
107.01381	5.2
111.00883	3.6
113.02480	1.4
121.03017	0.7
123.00892	20.1
123.01755	1.2
124.01689	8.7
125.02457	28.5
126.02819	0.8
127.00396	1.0
136.98863	1.5
137.02434	1.3
139.00407	6.4
139.07660	0.6
140.01180	4.5
141.01967	2.4
149.99611	6.9
151.00366	14.3
153.01985	0.7
159.25484	0.6
161.04654	2.4
166.16959	0.7
167.03520	0.7
168.00647	18.8
168.01997	1.0
169.01428	25.6
170.01825	0.9
181.08748	0.8
221.83003	0.6
262.52899	0.7
313.05887	2.4
406.55203	0.7
417.14319	100.0
418.14639	13.4
429.08075	0.6
432.88809	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.0
57.03451	0.9
59.01379	22.2
60.01708	0.7
64.97236	0.5
67.01878	0.9
69.03460	0.7
71.01381	10.7
72.01699	0.6
72.99304	1.2
73.02952	2.9
79.01894	1.4
83.01382	2.7
85.02947	5.1
85.74803	0.4
86.11433	0.4
87.00883	0.8
89.02450	5.8
95.01386	2.4
97.02951	1.5
99.00877	1.3
101.02444	7.7
107.01387	4.7
107.92287	0.4
111.00866	2.4
112.56129	0.5
113.02467	5.8
119.03466	2.6
123.00891	15.2
124.01662	1.7
125.01524	1.0
125.02450	18.0
126.02811	0.7
127.00399	0.6
136.98804	2.2
139.00368	6.3
140.01161	4.0
141.01894	2.1
143.03508	0.9
149.04579	0.8
151.00359	12.6
152.00668	0.5
159.02985	0.5
161.04547	5.2
165.50696	0.5
168.00688	4.5
169.01425	22.1
170.01784	1.4
177.09248	1.1
179.05618	1.3
181.05157	0.7
211.02449	1.0
235.02257	0.5
255.08714	0.8
271.04614	1.0
313.05624	1.6
357.15585	4.0
417.13992	100.0
418.14349	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	417.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31462	1.4
57.03428	2.3
59.01377	22.3
69.03432	2.0
71.01376	11.1
73.02934	2.3
85.02939	12.5
89.02438	14.4
101.02435	10.3
103.03996	25.8
107.01363	4.4
110.36022	1.7
111.00870	2.8
112.85542	1.8
113.02399	5.4
119.03473	6.9
123.00819	6.3
125.02444	28.3
137.02458	2.4
139.00325	3.6
140.86870	1.7
151.00304	3.8
163.03960	2.0
168.00642	14.6
169.01414	44.9
183.02945	2.0
205.83096	1.7
211.02451	48.7
212.02930	2.5
241.03592	2.1
249.27922	1.9
265.09265	67.4
266.09485	4.9
271.04544	64.9
272.04901	4.4
313.05737	3.5
331.06659	7.4
417.10229	100.0
417.97592	1.7
418.10553	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.2
64.44218	0.8
65.00049	0.8
69.20701	3.0
69.21124	5.3
71.01376	5.2
75.95535	0.8
83.01386	1.2
85.02936	1.8
89.02438	2.5
94.09879	1.0
100.58467	0.9
101.02438	2.5
125.02452	1.5
149.06046	1.2
151.00368	3.4
153.01874	1.3
163.00308	1.2
166.02682	1.5
169.01396	1.1
181.05067	3.1
183.04512	2.2
187.03967	1.1
211.03961	2.3
216.94960	1.1
227.03490	78.4
228.03873	7.6
229.04904	1.8
230.99283	1.2
232.00174	1.4
237.14880	1.3
255.02988	99.1
256.03577	14.5
257.04608	1.3
276.71088	1.1
284.03265	84.8
285.03931	30.3
286.04401	1.7
313.07098	1.3
326.92413	1.0
327.04950	1.3
339.05151	1.6
341.06601	1.2
357.06400	1.1
358.40094	0.9
371.36087	0.9
385.05670	10.1
417.08286	100.0
417.20190	6.1
418.08517	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	417.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03645	1.0
55.01839	1.0
56.02762	0.8
57.03445	0.9
59.01377	21.2
61.98809	3.1
67.01873	1.2
69.03436	1.1
71.01388	16.2
71.51105	1.2
72.99322	1.3
73.02945	5.8
73.63044	0.8
73.75983	0.9
75.05765	0.9
76.15034	0.8
79.01839	1.1
83.01388	2.0
85.02940	7.4
87.00833	2.0
87.04517	5.4
89.02450	12.6
93.03427	2.4
95.01360	3.5
96.78541	0.8
97.02905	1.8
99.00864	1.4
99.04486	1.1
99.07136	1.0
101.02446	8.7
103.04008	12.9
107.01397	5.6
108.02128	2.4
109.02948	1.2
111.00832	2.8
111.52503	0.9
111.75150	0.8
113.02470	5.2
115.03963	3.0
119.03525	5.3
119.83101	1.0
121.02947	1.7
123.00170	0.9
123.00903	13.1
123.04482	2.6
124.01613	2.9
125.02454	52.3
126.02754	2.0
127.00326	1.1
127.03861	1.0
136.98779	1.3
137.02443	6.0
139.00368	4.9
140.01102	3.6
141.01912	1.5
145.05025	2.1
149.02350	1.0
149.04482	0.9
149.49686	0.8
151.00389	10.4
151.03975	1.1
152.01059	1.9
153.01852	1.3
163.00282	0.9
163.03796	1.0
167.03499	1.2
168.00615	9.5
169.01424	69.6
170.01724	3.6
191.05603	10.5
192.05997	4.4
193.01364	1.1
193.08720	1.3
197.58656	1.0
211.02480	24.6
212.02672	1.3
227.09038	0.9
258.97470	1.0
265.09274	11.4
271.04590	29.0
272.04800	2.5
284.03149	1.6
293.08261	0.8
303.37045	0.9
313.05634	5.4
331.06644	1.9
354.09125	1.4
399.09348	6.1
417.10150	100.0
418.10434	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	416.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40255	1.0
57.03432	1.1
59.01152	1.2
59.01383	12.6
61.29778	1.1
61.98833	11.5
63.73688	1.2
69.03456	1.3
69.30779	10.2
71.01376	9.6
73.02940	3.0
75.00888	1.3
83.01385	2.1
85.02959	9.7
87.00866	1.9
87.04517	3.0
89.02451	8.5
93.03457	4.0
95.01372	1.6
95.55505	1.1
96.95981	1.3
99.00877	1.3
101.02445	4.6
103.04025	6.0
107.01375	3.2
108.02182	2.3
109.02933	2.4
111.04506	1.3
113.02440	2.9
115.03994	1.3
119.03501	1.7
121.02930	3.2
123.00888	9.3
123.04518	4.7
125.02446	18.6
127.04012	2.0
128.03554	1.8
133.02950	2.0
137.02423	3.3
139.00366	3.1
140.01140	2.4
141.01917	1.1
143.01692	1.9
151.00354	3.2
152.01128	2.4
153.01910	1.4
161.02483	2.3
168.00591	3.9
169.01437	24.1
170.01724	1.7
189.98009	1.1
191.05609	100.0
192.05898	4.7
196.62781	1.0
211.02478	10.5
249.64995	1.2
265.09207	5.4
271.04562	16.8
313.05566	1.5
331.06750	1.4
353.08725	8.4
399.09131	2.8
416.12503	9.7
417.09976	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.135
Annotation	14-norpseurotin A
Peak:m/z	Relative Intensity
58.02977	11.5
59.01367	5.9
67.38332	1.2
69.88369	3.6
69.88771	1.6
71.01378	1.7
72.00910	4.2
74.02493	7.0
93.03442	6.2
106.04230	2.6
107.05003	4.6
116.03530	1.2
119.05026	15.6
121.02899	1.7
130.04236	2.7
131.05026	28.4
136.07709	1.7
145.06570	1.8
147.04573	1.5
147.08180	5.5
149.06068	23.3
163.04005	15.1
164.04292	1.5
173.06096	9.2
177.21016	1.3
178.08757	7.3
180.06662	72.0
181.06929	3.5
181.80383	1.2
190.08752	1.6
191.07138	4.0
193.05051	17.5
217.05162	2.7
222.07741	13.5
235.06093	2.1
305.27173	1.3
354.13452	2.4
372.14517	9.0
398.12332	8.8
416.13461	100.0
417.13748	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	417.0826
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
59.01376	7.4
70.26285	2.8
70.26620	0.8
80.40559	0.7
80.46400	0.7
89.02453	1.5
92.26711	0.9
93.03427	0.8
101.02444	1.3
102.28207	0.7
107.01351	0.8
117.03488	1.2
125.02534	0.7
126.60301	0.8
128.58514	0.7
132.02287	0.9
145.02963	3.3
148.01683	0.9
151.00359	2.1
161.91956	0.7
163.00401	1.3
165.01880	0.8
167.04829	0.8
174.70201	1.0
183.04518	2.2
211.03964	2.6
227.03488	72.2
228.03847	6.9
229.05019	0.9
230.99431	1.3
232.00052	1.2
239.03412	1.0
240.03918	0.8
255.02975	100.0
256.03503	14.6
257.04514	1.3
269.04721	1.2
273.69452	0.8
284.03247	90.0
285.03906	24.0
286.04602	1.6
312.99857	1.7
323.05679	1.0
339.05072	1.1
357.06424	1.2
385.05685	5.8
386.06091	0.8
417.08234	96.4
417.20474	1.9
418.08533	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	415.3216
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
50.51794	0.4
53.66963	0.4
66.12519	0.4
69.25394	0.7
69.25806	3.4
69.96068	0.4
79.77540	0.4
91.08920	0.5
121.04159	0.4
136.05254	1.6
143.05040	0.7
143.84155	0.4
146.03723	3.4
147.04410	1.3
149.06078	3.7
150.03151	0.6
155.10481	0.4
156.05711	0.6
159.04507	0.7
161.06102	3.7
162.06795	1.7
174.03206	4.2
175.03949	1.1
175.07596	1.5
188.04733	1.1
189.05589	2.1
189.09201	0.7
190.06329	0.5
203.07179	2.4
204.07791	0.7
206.12598	0.4
233.15424	0.8
234.46886	0.5
245.11919	0.4
247.16978	1.4
248.99307	0.4
251.10863	0.4
261.18524	1.3
275.20081	0.9
289.21524	0.9
303.23148	0.7
319.26459	0.5
332.27124	1.5
343.26425	1.1
345.27707	0.5
350.78647	0.5
357.27979	7.9
358.28632	2.0
364.26218	3.1
371.29608	1.0
385.27448	11.8
386.28232	72.5
387.28598	12.1
387.33014	0.8
397.30829	0.5
415.32166	100.0
416.32513	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	415.3216
Annotation	EnP(5,8)
Peak:m/z	Relative Intensity
51.29995	0.7
56.36549	0.6
69.17720	3.9
69.18138	2.0
70.17904	0.8
75.00847	0.7
88.33277	0.6
99.95614	0.7
107.72982	0.6
117.91936	0.7
128.90501	0.6
135.04507	1.8
136.05278	2.2
137.79512	0.6
143.05005	0.8
145.02922	1.0
146.03705	6.3
147.03372	0.9
147.04527	14.4
159.04504	10.3
160.05043	0.7
161.06033	4.0
162.06770	2.1
163.07567	0.8
173.06032	1.3
174.03140	3.1
175.04005	11.1
175.07613	6.4
176.04518	1.0
185.05980	0.8
188.04767	3.3
189.05583	3.2
189.09149	1.2
190.06311	1.2
203.07158	7.3
217.08823	0.7
245.11841	1.1
285.92279	0.6
333.36832	0.6
343.26440	3.9
355.94843	0.7
357.27975	5.1
358.28467	0.9
382.12161	0.6
385.27435	9.4
386.28220	50.2
387.28555	8.3
387.32938	1.1
415.32150	100.0
416.32492	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	415.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
57.03454	1.1
59.01384	100.0
60.01720	1.2
69.29562	3.4
71.01388	11.1
72.99287	0.5
73.02959	1.1
83.01369	0.5
85.02957	2.7
87.00907	0.5
89.02451	7.8
94.32339	0.4
95.01408	1.0
99.00869	0.7
101.02445	5.9
113.02468	3.6
119.03510	3.1
122.03759	0.5
123.08178	0.6
131.03555	0.5
142.33458	0.5
143.03502	0.6
149.43637	0.4
161.04584	1.8
167.10831	0.6
179.05754	0.4
231.12424	3.4
247.12207	0.5
397.22476	1.0
415.06897	0.9
415.19922	1.8
415.24380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29239	1.1
55.01880	4.0
57.03449	8.8
58.00586	2.5
59.01379	100.0
60.01707	1.3
69.03457	1.7
71.01381	80.2
71.05016	3.3
71.08971	2.1
72.01738	1.6
72.99314	5.8
73.02945	21.9
78.46602	1.1
81.03470	4.7
83.01383	11.5
84.02171	1.5
85.02950	30.2
86.03316	1.5
87.00878	3.6
89.02442	58.5
95.01385	5.6
97.02945	2.1
99.00885	6.9
99.04520	6.2
101.02442	66.3
111.00893	1.7
113.02454	35.7
114.02834	1.2
119.03503	31.9
119.04343	1.9
125.02410	3.3
131.03516	3.4
139.32005	1.1
143.03523	4.9
149.04576	2.9
159.02956	3.4
161.04556	18.6
179.05630	4.0
181.12300	1.4
245.69722	1.2
253.18201	1.4
315.18112	2.8
327.17978	1.8
343.17538	4.3
353.70767	1.2
397.22141	2.9
415.06592	1.3
415.23471	32.8
416.23700	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	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74758	0.5
59.01379	100.0
60.01708	1.4
62.82477	0.5
69.39951	1.7
69.40377	1.9
71.01389	5.6
73.02942	1.5
76.72072	0.5
85.02944	2.7
89.02444	2.9
95.01396	0.7
101.02416	3.5
113.02479	2.1
117.77782	0.5
119.03513	1.3
125.02484	0.7
137.26862	0.4
161.04640	1.5
165.44606	0.5
212.78462	0.5
270.98874	1.5
298.98380	1.4
299.99271	0.5
373.22470	1.4
397.05655	1.0
411.28192	0.6
415.01959	0.7
415.06558	3.5
415.23431	0.6
416.07455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11392	0.4
52.35860	0.5
58.00595	0.5
59.01381	100.0
60.01708	0.9
61.98825	0.5
68.58825	0.4
69.03451	0.7
69.28616	3.9
69.69492	0.4
71.01382	7.6
72.08262	0.5
72.99332	0.8
73.02966	1.9
78.52090	0.4
83.01391	0.6
84.37678	0.4
85.02946	2.6
87.00904	0.5
89.02440	5.1
95.01413	0.5
99.00899	0.9
101.02447	5.1
113.02439	3.5
119.03504	1.9
125.02478	0.7
143.03526	0.6
161.04533	3.4
179.05605	0.7
253.18098	0.4
270.98959	1.3
298.98511	0.6
305.39633	0.4
328.20490	1.7
329.50674	0.4
355.21356	0.6
373.22366	4.4
397.05725	0.9
415.06708	1.4
415.23349	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	415.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28897	0.5
55.51876	0.5
59.01379	100.0
59.26404	0.6
60.01702	1.2
61.98812	0.8
64.99628	0.8
71.01385	8.7
71.52608	1.1
72.99310	0.8
73.02959	2.0
85.02961	4.0
89.02449	6.6
95.01443	0.8
97.02931	0.7
99.00893	1.2
101.02448	7.1
113.02454	4.6
119.03522	2.5
125.02474	1.8
143.03551	1.0
150.87891	0.7
151.00342	1.0
161.04568	1.8
169.01440	1.0
179.05653	0.7
221.71359	0.6
242.99374	0.7
270.98883	5.2
298.98495	3.4
299.01385	0.7
299.99173	1.0
324.00195	0.7
367.41635	0.6
397.05743	3.2
415.06592	8.6
415.11490	0.5
415.23383	1.9
416.06778	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92908	1.0
57.14685	1.0
59.01364	3.2
67.30951	1.0
71.01372	2.2
71.49959	1.5
74.99097	6.1
77.00665	74.2
78.01002	1.1
87.68510	1.2
89.02447	2.0
101.02435	2.0
146.62782	1.1
149.09669	2.2
149.10928	1.0
163.11273	2.2
187.11285	2.6
280.14505	1.3
309.22086	2.0
337.21719	100.0
338.22086	15.2
379.28439	3.2
415.23099	8.0
416.23407	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
52.48322	1.0
55.01872	2.8
57.03441	3.7
58.00597	2.7
59.01381	100.0
60.01702	1.6
69.03470	1.0
69.23811	6.8
69.24207	1.3
69.70164	0.8
71.01385	48.4
72.99307	3.7
73.02949	10.8
83.01385	6.3
85.02952	16.1
87.00874	2.8
87.04504	4.8
89.02444	36.0
90.32420	0.9
95.01395	4.0
96.95998	0.8
97.02942	1.0
99.00892	2.8
101.02445	33.1
101.03109	1.8
102.02769	0.9
107.01375	1.2
109.06573	1.3
111.00887	2.1
111.08140	2.2
113.02448	19.1
119.03500	14.4
122.65913	1.0
123.00888	5.5
123.08144	6.0
125.02443	7.6
127.11302	2.0
131.03464	2.7
137.02426	1.9
137.09717	4.7
139.00337	2.3
139.11301	2.0
140.01143	1.6
143.03519	2.6
147.00911	1.1
149.09709	11.8
151.00366	5.7
153.09264	1.1
155.10811	1.3
159.02992	2.3
161.04544	11.9
161.47134	0.9
167.10783	9.8
169.01401	7.6
177.03635	0.9
179.05620	2.1
187.09732	3.4
217.10895	4.8
221.06624	1.5
231.12361	65.2
232.12625	4.7
235.08130	0.9
235.13405	1.8
253.18051	1.6
270.98999	1.3
276.79553	1.1
302.94031	1.0
320.91187	1.0
328.05750	1.0
357.19394	1.3
370.23550	0.9
371.07718	1.2
387.27109	0.9
397.05518	1.4
397.22302	1.3
415.07541	6.5
415.16034	30.7
415.23303	19.7
416.16162	4.4
416.23840	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
59.01383	100.0
59.17984	0.6
60.01727	1.3
61.98838	0.8
71.01399	3.7
71.52940	0.7
73.02944	1.0
75.85085	0.5
85.02962	1.3
89.02439	2.5
95.20795	0.5
99.00898	0.6
101.02458	3.2
113.02492	1.8
119.03535	0.7
125.02421	0.9
129.97934	0.6
141.45078	0.5
161.04549	1.1
168.48863	0.6
169.01385	0.8
193.06616	0.8
270.98901	3.2
271.01370	0.6
298.98373	2.3
397.05859	2.8
415.06613	4.4
415.14639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45934	0.4
59.01379	100.0
60.01717	1.5
70.58420	1.2
71.01397	1.4
82.34666	0.3
89.02453	1.2
99.00900	0.3
101.02430	1.1
107.01422	0.6
113.02455	0.5
119.03520	0.5
125.02448	0.8
139.38219	0.4
161.04626	0.6
168.00685	0.4
169.01454	1.7
172.24100	0.4
208.89366	0.5
270.98929	1.4
298.98352	0.9
334.16592	0.4
397.05820	1.0
415.06915	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	415.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97836	0.6
59.01380	100.0
60.01717	0.9
60.60458	0.6
61.98831	0.6
71.01373	2.9
73.02937	0.9
75.80800	0.5
83.01410	0.9
83.06800	0.5
85.02970	1.7
89.02471	1.8
92.43104	0.6
98.20649	1.6
101.02477	2.2
113.02448	0.8
126.52246	0.6
127.95029	0.5
130.76961	0.5
161.04556	0.7
175.00146	0.6
175.01779	0.6
184.62444	0.5
248.15230	0.5
270.98904	1.0
298.98529	0.9
415.06873	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	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	8.3
57.03448	7.0
58.00592	2.2
59.01378	59.3
61.98833	1.8
68.99803	0.6
69.03448	3.2
69.45441	3.8
69.45837	1.4
71.01382	94.7
72.01718	1.9
72.99310	2.9
73.02946	44.4
75.00878	1.8
81.03451	1.6
83.01385	29.4
84.02148	0.7
85.02951	46.5
86.00093	0.8
86.03285	1.3
87.00874	4.4
89.02439	10.0
90.03746	0.7
93.03464	1.3
95.00806	1.0
95.01384	9.3
97.02949	4.9
98.20664	0.7
99.00883	14.6
99.04473	0.8
101.02442	87.1
102.02802	2.2
103.04001	6.6
107.01347	1.4
107.04995	1.4
108.02175	8.8
109.02944	6.9
111.00882	1.8
113.02446	34.7
114.02767	1.2
115.04020	0.6
119.03487	2.7
123.00876	3.9
125.02454	13.6
127.04001	0.7
129.01903	1.5
131.03488	0.8
137.02432	1.8
139.00359	1.9
140.01215	0.7
141.01920	1.0
143.03481	5.6
145.05080	1.8
149.02487	0.7
151.00342	1.8
152.01149	7.9
153.01947	3.9
159.02980	8.2
161.04552	63.6
162.04892	2.6
163.06111	3.0
168.00652	0.9
169.01424	4.9
179.03500	0.9
191.07268	0.8
205.03519	1.2
229.07100	2.3
247.08260	4.5
253.07195	1.6
269.10291	100.0
270.10654	10.4
406.53894	0.7
415.12228	24.1
415.16177	21.4
416.12534	2.6
416.16467	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30447	0.8
55.01865	2.4
57.03439	2.4
58.00594	4.0
59.01381	100.0
60.01709	1.2
62.79615	0.8
69.03451	3.4
70.97627	1.7
70.97955	0.9
71.01384	74.3
72.01703	0.9
72.99311	7.0
73.02949	7.2
74.25446	0.8
75.00864	1.5
80.08319	0.8
81.03443	1.7
83.01389	6.5
85.02952	15.3
87.00879	14.1
89.02449	87.7
90.02749	1.5
91.04011	1.2
95.01387	4.7
95.05017	0.7
97.02951	8.0
99.00883	4.4
101.02445	62.8
102.02752	1.2
103.00352	0.9
109.02991	0.9
111.00870	1.0
111.04594	0.8
112.36462	0.9
113.02456	26.4
119.03508	30.5
120.03802	0.8
121.02991	1.0
125.02450	14.2
131.03510	4.0
141.01909	1.4
143.03488	11.3
149.04532	2.0
161.04575	12.6
179.05627	29.9
180.05971	1.2
185.04568	2.6
203.05632	0.9
221.06619	7.4
235.08229	11.9
250.01254	0.7
253.09334	7.3
263.07767	4.9
287.07727	1.9
305.08713	2.4
306.32355	0.8
397.13260	2.0
415.14584	91.4
416.14862	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	415.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.2
59.01377	5.6
60.01748	0.1
69.98481	0.4
71.01381	3.7
72.99310	0.1
73.02942	0.6
74.02464	0.2
77.03979	0.3
83.01388	0.2
85.02952	0.9
87.00867	0.3
89.02445	2.7
91.04973	0.1
93.03467	0.5
95.01391	0.2
99.00880	0.2
101.02441	1.7
108.02215	0.2
113.02440	0.9
119.03484	0.5
121.02956	100.0
122.03285	4.3
125.02470	0.7
131.03508	0.6
134.42177	0.1
143.03526	0.3
149.04539	0.4
159.02943	0.1
161.04555	1.0
179.05641	0.1
200.37157	0.1
221.06609	0.2
226.13336	0.1
235.08524	0.1
235.17052	0.1
253.05080	1.2
270.81424	0.1
270.98843	0.6
293.08704	0.3
298.98340	0.4
319.32343	0.1
328.05899	0.1
341.35379	0.1
397.05612	0.4
415.06857	1.0
415.12112	0.2
415.23651	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.6
55.99501	0.6
57.03448	7.0
58.00595	2.5
59.01379	55.1
61.98830	11.0
62.81395	0.6
67.01882	1.4
68.99825	0.7
69.03435	3.5
71.01382	95.0
71.05012	1.4
71.51554	1.0
72.01715	1.5
72.76698	0.6
72.99306	4.1
73.02945	41.3
75.00867	1.2
79.01885	1.5
81.03464	2.4
83.01383	27.6
83.05020	0.9
84.02175	0.7
85.02950	48.5
86.00089	1.2
86.03265	1.0
87.00882	4.7
87.04495	0.8
89.02446	11.8
93.03452	5.8
95.01388	8.8
97.02950	5.0
99.00880	11.7
99.04523	0.7
101.02441	83.7
102.02798	1.7
103.04009	5.7
104.25936	0.6
107.01408	3.3
107.05000	0.9
108.02177	24.0
109.02958	17.2
110.03255	0.7
111.00848	3.5
113.02445	31.7
114.02758	1.2
117.05584	3.2
119.03513	3.4
120.31988	0.5
121.02952	0.8
123.00887	13.2
124.01661	1.1
125.02450	29.8
125.06077	1.3
126.02803	0.8
127.04052	1.0
129.01935	1.6
131.04988	0.8
135.04558	1.0
136.01640	2.9
136.98776	1.4
137.02457	9.1
139.00374	5.5
140.01205	3.3
141.01888	1.4
141.28490	0.5
143.03503	5.2
143.33221	0.7
145.05049	2.1
147.08148	1.7
149.02455	1.5
149.06013	1.5
151.00357	8.7
151.03975	1.7
152.01158	18.8
153.01950	10.8
159.03001	8.4
161.04553	60.3
162.04890	1.9
163.06076	2.8
165.01947	0.8
168.00623	2.7
169.01413	21.2
170.01730	0.9
179.03506	7.6
182.75296	0.6
191.07164	3.3
191.10674	0.6
195.02991	0.9
199.93719	0.6
209.04527	2.3
211.02524	1.3
229.07152	1.3
235.09785	0.9
239.05562	4.2
247.08208	3.1
253.07150	4.6
269.10291	99.8
270.10623	8.2
277.07056	1.9
295.10291	0.8
297.05847	0.8
307.10437	1.1
313.05518	1.9
313.09070	0.7
314.64609	0.7
353.06714	1.2
371.09586	1.4
397.10995	0.6
415.12003	100.0
416.12350	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	415.1245
Annotation	Alpinoside
Peak:m/z	Relative Intensity
57.03450	7.2
59.01377	3.2
60.33310	0.3
69.03483	0.3
69.18867	3.3
70.33720	0.3
71.01393	2.5
73.02952	0.9
77.68775	0.4
79.51578	0.3
81.03456	2.6
83.01395	1.5
83.05025	4.1
85.02943	1.6
89.02457	0.7
89.68321	0.3
91.69587	0.3
93.03442	0.3
95.01393	0.4
99.00883	0.4
101.02444	1.5
101.06094	0.6
107.01402	0.4
113.02444	0.6
118.88398	0.3
123.01051	0.3
123.04507	0.3
123.08170	1.7
125.02450	100.0
125.06081	14.3
126.02791	4.1
126.06439	0.4
137.02498	0.4
139.00414	0.4
139.03981	0.6
143.07068	0.5
145.05122	0.4
149.02451	7.6
151.04001	0.7
161.04561	1.2
168.00653	0.5
169.01492	0.8
179.03491	0.3
191.03513	0.8
191.07172	0.4
225.54167	0.3
253.07169	57.1
254.07480	4.6
277.07230	1.7
283.12015	0.8
287.07593	0.4
295.08401	0.5
371.07889	0.5
415.06744	0.7
415.12057	6.1
416.12820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1246
Annotation	Alpinoside
Peak:m/z	Relative Intensity
57.31392	0.4
59.01373	3.0
59.01626	0.5
65.00323	1.1
67.01876	0.9
68.13119	0.5
68.99816	1.1
69.48235	0.9
69.48549	3.7
71.01385	3.4
72.04184	0.5
72.99296	1.4
82.00596	1.1
83.01380	2.8
85.25896	0.6
89.02445	0.6
95.01379	1.2
101.02451	1.5
107.01385	2.3
108.02227	2.4
109.02950	2.5
110.00072	2.5
111.00877	12.4
112.01196	0.7
121.82695	0.5
123.00861	1.3
124.01649	9.2
125.02460	7.5
127.00378	4.3
136.98807	8.7
139.00363	12.0
140.01163	21.6
141.01457	0.7
147.08118	0.9
151.34950	0.5
152.01144	2.5
153.01878	1.4
154.99840	1.5
168.00638	24.7
169.01439	10.3
191.07169	3.9
235.06174	2.9
237.07678	3.4
253.07237	1.0
371.13297	2.2
415.12433	100.0
416.12802	13.9
435.93677	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
56.06824	0.4
57.03426	0.6
57.25748	0.5
59.01384	4.4
64.76649	0.5
67.01880	0.9
69.79617	1.1
69.80022	1.5
71.01376	4.7
71.05020	1.0
72.99303	1.1
73.02943	1.6
79.01872	1.3
79.72475	0.5
83.01376	1.6
83.04994	0.9
85.02937	3.3
87.00872	0.5
89.02447	1.7
95.01382	2.4
97.02949	0.5
99.00890	0.8
101.02431	3.4
101.06069	1.1
107.01391	5.0
108.02204	0.5
109.02946	0.7
110.00082	0.6
111.00875	2.6
112.74632	0.5
113.02424	1.5
122.63468	0.4
123.00889	15.8
124.01656	1.7
125.02453	20.1
126.02769	0.7
127.00349	1.3
136.98790	1.6
137.02408	1.0
139.00349	6.3
140.01199	4.5
141.01912	1.6
151.00375	13.2
153.01994	1.2
158.26231	0.5
163.03992	0.5
168.00642	3.9
169.01437	23.7
170.01848	1.1
177.03992	1.3
179.03551	0.5
205.06062	0.5
211.02493	3.0
211.04120	0.5
224.38857	0.4
271.04642	1.3
289.87854	0.5
313.05707	1.1
315.06931	1.3
329.05154	0.6
415.12433	100.0
416.12808	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	415.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.6
57.03440	1.2
58.00593	1.0
59.01383	30.1
67.01887	1.2
68.76987	0.7
69.03448	2.2
70.81770	1.3
71.01383	23.5
72.99310	2.4
73.02952	3.8
79.01888	2.5
83.01371	2.1
85.02950	7.1
87.00864	2.0
87.04516	1.5
89.02452	11.9
93.03464	0.9
95.01403	4.5
95.01925	0.9
97.02956	1.3
99.00868	2.1
101.02438	11.7
101.05463	1.3
101.06090	19.9
105.05987	0.7
107.01388	7.5
111.00915	1.7
113.02431	6.6
113.88776	0.6
115.07653	35.8
116.07973	1.0
119.03519	3.5
121.02975	0.9
122.03815	1.0
123.00890	30.8
125.02448	33.8
126.02780	1.7
127.40854	0.7
131.03474	0.7
137.02408	0.9
139.00375	8.9
140.01122	1.1
141.01884	2.7
143.03429	1.1
143.07117	2.2
149.06039	1.0
150.99196	1.4
151.00363	23.5
152.00722	1.2
153.01962	1.0
161.04524	2.4
167.03438	1.2
168.00639	4.2
169.01427	57.5
170.01784	4.6
173.13354	1.5
175.07626	1.2
177.01872	0.8
179.05595	1.3
183.02928	2.0
191.05574	1.3
191.10760	7.7
193.01405	2.3
193.08705	10.6
194.09079	0.8
204.11560	0.8
211.02458	10.8
223.04024	7.1
224.04726	1.0
235.09724	1.6
235.13399	1.4
252.04280	8.6
253.05171	18.6
253.10742	7.9
254.05426	1.4
267.12314	1.1
313.05695	3.9
355.10257	1.2
355.17401	1.2
363.70288	0.9
371.07651	1.2
385.04227	0.8
415.12363	100.0
415.19266	3.0
416.12842	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	414.156
Annotation	narcotinehemiacetal
Peak:m/z	Relative Intensity
58.97622	0.5
59.01379	36.7
59.45193	0.5
69.44645	2.5
69.45060	1.4
71.01377	1.8
72.00911	0.7
74.02473	37.2
85.02956	0.6
89.02448	1.8
93.03461	2.0
101.02444	1.8
107.05024	2.3
113.02448	1.0
119.03533	0.6
119.05011	3.2
121.02941	2.5
125.02428	2.0
131.03734	0.6
131.04973	1.0
133.06607	1.1
144.04561	4.8
145.05331	1.4
147.08130	1.8
151.00410	0.6
157.06573	3.9
158.06030	0.9
159.08128	4.0
161.04620	0.8
161.09717	9.6
162.09940	0.6
163.04037	0.7
169.01384	1.2
170.09720	1.9
172.07693	7.4
174.09244	2.4
175.07651	5.0
177.05559	1.3
180.06680	3.8
186.09177	1.3
188.10802	71.2
189.11153	5.5
192.10245	0.9
204.10268	9.2
205.10646	0.7
218.08212	1.4
220.13425	1.8
232.09772	43.4
233.10167	3.9
244.09717	0.6
264.12433	4.4
270.98853	1.4
276.08810	0.8
276.13934	1.2
294.14981	2.9
298.07971	0.8
298.98267	1.2
338.14099	5.4
339.14178	1.2
370.16534	2.1
382.12897	2.3
397.05597	0.9
414.05936	3.1
414.15561	100.0
415.06674	2.3
415.15857	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01705	2.6
69.63164	11.8
96.95454	1.7
98.20663	2.3
117.07071	2.3
123.27342	1.8
125.02438	2.7
195.42578	2.0
319.33517	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	413.3059
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
60.97611	0.8
69.41855	2.2
69.42274	4.9
71.65784	0.7
87.91137	0.8
97.48283	0.9
121.95330	0.8
127.24077	0.8
135.04546	1.7
136.05309	2.9
145.02899	1.5
146.03778	5.3
147.04546	13.9
159.04529	11.1
161.06041	4.1
162.06746	1.5
163.07626	1.1
174.03207	3.4
175.04027	14.0
175.07648	6.2
185.06108	1.0
187.04085	1.1
188.04803	2.0
189.05562	3.6
203.07147	9.3
204.07622	1.2
341.24771	5.8
349.98233	0.8
355.26437	4.5
356.26971	1.2
383.25882	8.4
384.26685	53.4
385.27039	9.3
413.30615	100.0
414.30969	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	414.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22758	0.3
59.01377	1.9
61.98821	1.7
71.01382	6.9
85.02959	0.4
88.04031	1.1
89.02442	1.0
91.01920	0.8
93.03458	9.2
93.04021	0.7
95.01418	0.5
96.96014	0.4
98.19866	0.9
101.02440	1.1
108.02179	0.8
109.02907	0.6
113.02453	0.5
114.01988	0.6
115.00378	9.7
118.03003	9.7
118.03857	0.7
119.03415	0.4
119.05030	1.0
120.05328	0.6
121.02929	0.9
123.00889	1.6
125.02448	1.5
132.03065	0.7
136.04045	100.0
137.02452	4.1
137.04391	4.3
140.01170	0.5
146.06148	1.8
151.00354	0.6
152.01152	0.6
161.02457	0.8
163.04039	1.2
164.07166	5.7
164.08412	0.6
169.01430	2.3
179.79971	0.3
183.54091	0.4
190.05064	1.1
191.03712	0.4
191.10657	0.6
193.08734	0.8
208.06128	10.1
209.06461	0.4
232.96170	0.4
234.04054	2.0
252.05128	14.5
253.05405	0.6
271.04718	0.6
275.01932	0.5
278.26602	0.4
298.09293	0.5
300.99796	1.9
361.57486	0.4
392.03653	0.4
396.09219	1.3
414.10382	27.9
415.11960	6.7
415.16501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42155	0.4
57.03458	0.5
59.01380	100.0
60.01715	1.3
69.28654	3.2
71.01386	4.5
73.02956	1.2
83.01401	0.5
85.02961	1.6
89.02483	1.2
90.80280	0.4
98.19945	0.9
101.02422	2.1
113.02483	1.4
119.03474	0.5
125.02402	0.4
127.75530	0.4
161.04559	1.3
209.15489	0.8
254.68474	0.4
353.19949	1.2
371.20688	3.9
413.14828	1.7
432.19882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12402	4.9
51.01916	5.7
59.01383	100.0
59.91024	5.5
70.93566	5.6
105.92929	6.6
107.39228	5.7
125.02441	6.0
235.07347	5.7
317.86261	6.9
357.28085	11.8
385.27432	13.2
413.26807	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18718	0.5
52.78225	0.5
57.16858	0.5
59.01379	100.0
60.01727	1.2
65.98079	0.6
69.03462	0.6
71.01386	2.3
73.02944	1.1
75.19736	0.6
83.01396	0.7
85.02966	1.0
89.02452	1.5
93.03441	2.9
93.49846	0.5
98.19768	1.1
99.00881	0.7
101.02451	1.7
109.02956	0.6
113.02466	1.3
115.83984	0.5
119.03513	0.6
123.00891	0.7
125.02464	2.0
137.02469	3.4
169.01463	2.4
207.13943	2.4
251.12874	2.6
259.99582	0.6
269.00958	1.3
295.02762	0.7
314.97787	0.9
322.57858	0.5
325.07275	1.1
337.11316	1.5
413.05252	3.8
413.17615	1.4
414.83945	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14344	2.6
51.53072	3.2
56.82250	2.6
59.01377	81.2
59.31798	2.8
61.98829	14.7
65.78981	2.4
71.01384	35.4
71.50381	4.4
73.02948	16.7
75.68932	2.7
78.95884	4.9
80.05116	3.2
80.91683	8.6
83.01377	6.9
85.02954	16.6
87.00872	3.2
88.49146	3.1
89.02447	8.2
95.01421	3.2
96.00900	4.5
96.96009	19.1
96.96958	7.6
98.02477	6.1
99.00905	4.1
101.02450	47.7
108.02139	5.1
111.44202	3.0
113.02445	17.8
114.78046	2.6
117.05530	2.7
119.03493	3.7
119.04990	16.4
123.00906	2.9
125.02467	6.5
126.57625	3.2
130.08719	4.3
136.04005	9.6
143.03496	3.5
152.01123	4.6
153.01913	5.2
161.04541	13.1
163.04004	14.4
164.07025	4.4
165.05603	6.3
169.01425	6.1
177.01820	4.0
179.03670	3.7
179.05659	2.9
189.07603	3.1
197.06699	3.6
207.08731	100.0
208.08994	4.0
221.10298	4.1
227.00648	3.0
251.05566	15.8
315.07217	9.1
353.14502	94.3
354.14755	8.4
403.28973	3.5
413.10864	12.3
414.10791	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	413.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75024	0.3
54.32996	0.4
59.01378	7.1
61.98828	0.6
67.01892	0.7
69.03455	0.5
69.34241	3.0
69.50776	0.4
71.01385	1.1
71.02079	0.4
72.62514	0.4
72.99316	0.6
73.02970	0.4
73.67487	0.4
79.01907	0.6
83.01390	0.4
89.02444	1.1
93.03446	3.0
94.03843	0.5
95.01393	0.9
97.02953	0.5
99.00872	0.6
101.02428	0.8
102.54484	0.4
105.40419	0.5
107.01448	0.5
110.35250	0.4
111.00859	1.9
113.02478	0.6
123.00015	0.7
123.00882	8.4
124.01633	2.3
125.02447	47.7
126.02765	2.0
136.98833	0.9
137.02440	4.6
139.00371	4.1
140.01163	2.9
141.01888	0.8
151.00368	0.7
166.99834	5.2
168.00626	4.2
169.01421	62.3
170.01756	2.3
181.01402	1.3
207.13876	0.9
230.99182	0.4
250.08447	10.0
251.09232	100.0
252.09558	8.0
269.00793	0.5
274.70676	0.4
293.10291	0.5
314.97726	0.7
337.11087	8.7
337.61328	4.5
338.11462	0.9
369.05582	0.4
413.05310	1.5
413.14496	58.5
414.14862	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13433	0.2
55.01873	0.5
57.03467	0.3
57.69643	0.2
58.00584	0.3
59.01379	10.5
63.20193	0.2
65.00330	0.4
67.01881	1.1
68.99790	0.2
69.03465	0.5
70.33289	0.2
70.63030	0.2
71.01004	0.5
71.01380	6.7
72.99303	0.8
73.02926	0.4
75.13657	0.2
79.01881	1.5
80.59243	0.3
81.03440	0.3
82.00598	0.3
83.01393	1.5
84.99298	0.3
85.02952	1.6
87.00871	0.6
89.02434	3.5
95.01382	2.7
97.02937	0.6
98.19828	0.5
99.00868	0.5
101.02450	2.8
102.02716	0.3
107.01396	4.3
107.88321	0.3
109.02947	0.3
110.00080	0.4
111.00890	3.4
113.02433	2.3
119.03503	1.0
119.35612	0.2
123.00887	19.5
124.01729	2.1
125.02447	19.3
126.02772	0.6
127.00407	1.6
127.01205	0.2
136.98804	2.3
139.00366	8.4
139.03961	0.3
140.01175	5.1
141.01936	2.0
151.00366	12.2
153.01939	0.9
154.99861	0.4
163.03972	0.5
168.00632	5.4
169.01418	22.3
170.01709	0.9
179.03574	0.4
179.10733	0.3
181.05072	0.6
194.21689	0.3
207.04990	0.5
211.02464	2.9
218.49629	0.2
242.70564	0.3
253.03487	0.4
271.04532	2.3
313.05682	0.7
314.52982	0.3
332.48566	0.3
346.74551	0.3
375.21063	0.3
410.83295	0.3
413.14505	100.0
414.14856	12.7
414.20535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01957	1.7
59.01371	5.4
61.98827	5.4
71.01375	6.4
71.50010	1.6
71.50401	2.0
73.02956	1.9
78.95898	2.6
84.01553	1.8
85.02960	3.0
88.64209	1.5
93.03490	2.1
93.70096	2.0
95.01383	2.3
96.96014	70.0
101.02436	2.9
108.02169	65.5
109.02978	19.3
113.02451	3.1
114.93389	4.8
119.05032	5.3
123.00874	1.6
136.04076	9.1
152.01154	53.0
152.02393	3.0
153.01944	20.2
163.04016	6.9
165.26918	1.8
169.01437	3.0
182.99728	2.4
196.97687	2.0
208.97726	10.0
223.99971	3.4
234.99228	2.2
249.97858	3.4
250.98698	14.4
251.05656	2.3
279.81464	1.7
315.07227	100.0
316.07520	10.5
353.01901	29.0
353.14505	4.7
413.03989	5.3
413.10779	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	412.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.0
59.01378	100.0
60.01700	1.7
61.98828	68.7
69.38991	1.9
69.39394	5.4
71.01382	6.7
72.14818	0.8
73.02941	2.6
83.01366	1.4
85.02950	3.3
87.00924	0.8
89.02447	3.6
93.16233	0.8
101.02428	6.1
109.02917	1.0
113.02448	3.1
117.01933	3.0
119.03497	0.9
123.00909	2.1
125.02416	2.2
151.00331	1.1
152.07103	1.2
153.02019	1.0
161.04524	2.0
169.01387	3.1
178.12245	0.8
179.10814	1.5
193.01425	0.9
207.05086	1.3
209.15446	1.4
219.92114	0.7
263.15018	2.2
274.12079	0.9
353.19876	1.0
371.20856	2.9
412.10147	1.2
413.04990	1.8
413.14145	1.6
413.21667	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	411.2907
Annotation	Topsentisterol A3
Peak:m/z	Relative Intensity
50.24775	0.6
61.98801	0.8
69.36575	3.4
69.37000	2.3
100.62502	0.8
135.04532	2.0
136.05319	1.8
145.02876	0.8
146.03740	7.1
147.04539	17.7
149.06075	1.0
157.06551	0.8
159.04524	13.4
160.05104	0.9
161.06094	4.6
162.06863	2.7
163.07626	1.1
173.06064	1.7
174.03191	4.4
175.04008	13.7
175.07623	6.7
176.04431	1.1
176.07941	1.0
185.06099	1.0
187.04063	1.3
188.04813	3.3
189.05569	2.6
189.09259	1.4
190.06367	1.3
203.07176	8.9
217.08714	1.1
245.11937	0.8
339.23245	3.5
353.24890	4.8
354.25296	1.0
355.26855	0.8
381.24393	6.8
382.25156	42.2
383.25482	6.6
386.21378	0.7
411.29092	100.0
412.29446	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	411.2902
Annotation	Topsentisterol A3
Peak:m/z	Relative Intensity
52.83173	0.4
55.42964	0.5
55.65586	0.5
56.95606	0.4
68.08447	0.5
82.65192	0.5
98.19875	1.0
109.07182	0.5
112.27333	0.5
135.04535	0.5
136.05313	2.6
146.03751	3.9
147.04491	0.9
148.05235	0.7
149.06096	4.2
150.92323	0.5
159.04556	0.9
160.05241	1.1
161.06099	4.0
162.06828	1.4
163.07747	0.6
171.04454	0.5
174.03229	4.9
175.04013	1.8
175.07613	2.7
176.04802	0.5
185.06139	0.5
188.04814	1.0
189.05630	2.9
189.09229	0.8
190.06348	1.4
190.10054	0.5
191.10812	0.8
203.07129	5.2
203.10732	0.6
204.07797	0.9
217.08701	1.5
217.12097	0.5
233.15440	0.9
240.55472	0.6
273.18573	0.6
277.16675	0.4
287.16422	0.6
287.19699	0.4
299.20154	0.8
313.21634	1.1
327.23282	0.6
328.23947	0.5
341.24527	0.5
352.24094	0.6
353.24854	7.9
354.25305	1.3
355.26620	0.8
367.22385	0.7
367.26477	0.8
381.24304	10.7
381.29163	0.6
382.25110	64.1
383.25449	10.2
383.29840	1.2
393.27887	0.6
411.29034	100.0
412.29367	18.4
412.34915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.96655	1.5
60.01695	2.2
82.98743	1.5
87.79878	1.7
113.12626	1.8
117.03747	1.6
157.16388	1.9
236.61343	1.9
274.11768	2.0
355.22342	1.8
355.99567	1.7
404.27460	1.8
438.54062	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	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10983	4.4
55.63084	4.0
57.74946	4.2
59.01379	100.0
66.33933	4.6
67.75993	4.2
69.36895	38.7
139.90649	4.8
150.84306	5.3
158.89703	4.2
169.27429	5.1
202.43536	4.5
311.29639	4.9
341.33545	4.9
401.92719	4.7
411.25253	6.8
418.37964	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	411.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03127	1.8
59.01368	2.6
63.32878	2.0
71.50089	4.4
71.50449	2.0
74.09211	1.7
76.89438	1.8
108.02196	3.8
122.03750	16.7
125.03843	2.2
127.01756	1.9
135.04523	8.2
136.01654	3.3
231.49225	1.8
233.15482	2.9
245.15556	2.7
247.16986	2.4
261.15063	4.2
263.16531	2.1
275.16522	10.3
289.21680	3.5
291.19550	2.2
317.21045	6.6
331.22711	5.8
332.22681	2.2
348.12537	2.4
357.24298	15.6
373.23901	3.4
375.25372	100.0
376.25601	15.9
435.98126	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	411.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54899	1.4
67.68691	1.3
67.78163	1.2
71.05013	1.6
75.66325	1.4
81.03458	8.4
84.02094	1.4
99.04525	1.6
108.02155	1.8
121.62196	1.3
122.03762	12.2
124.01603	1.4
135.04532	9.7
136.01651	3.3
177.09167	2.4
191.10696	1.5
224.83281	1.3
249.60529	1.5
274.19333	3.5
275.20148	33.6
276.20468	3.6
331.22708	2.2
339.23163	1.7
357.24127	4.4
375.25385	100.0
376.25671	14.6
419.08640	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	411.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34283	1.8
71.50294	3.2
82.35670	1.8
100.31506	2.1
108.02095	2.0
122.03761	14.5
135.04532	9.5
136.01674	3.7
137.61127	2.0
140.63583	2.3
149.06039	2.4
235.13345	3.6
275.20193	2.6
301.21698	25.0
302.22058	3.3
313.21646	10.2
331.22733	5.6
339.23257	4.2
357.24429	31.6
358.24463	4.7
358.60110	2.3
375.25363	100.0
376.25729	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	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91429	0.5
52.05991	0.5
53.81038	0.5
59.01381	100.0
60.01719	0.8
61.98816	0.7
67.22041	0.5
71.01385	2.6
72.99308	0.5
73.02959	1.1
80.54385	0.5
85.02953	1.0
89.02461	2.0
101.02470	1.7
113.02467	1.1
119.03516	0.9
131.50829	0.6
135.85783	0.6
161.90730	0.6
189.30035	0.6
199.72328	0.5
203.98132	0.6
223.47653	0.5
354.00891	0.6
389.48657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64724	2.3
68.76549	2.2
70.35853	8.3
74.38387	2.1
81.45966	2.0
99.17548	2.4
104.02725	2.4
122.03749	20.7
124.02886	2.5
130.89906	2.3
135.04503	10.1
135.82101	2.3
136.01631	3.5
233.15466	5.9
247.17055	5.5
261.14948	11.3
263.16464	3.7
275.16559	13.6
289.18137	3.6
293.10696	2.2
303.19568	4.8
339.23166	3.6
352.92981	2.7
357.24329	20.6
358.24557	2.5
358.48734	3.1
375.25412	100.0
376.25739	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	411.166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22338	2.9
57.03439	4.2
59.01377	100.0
59.20371	2.8
69.03455	14.3
69.49871	15.2
69.50300	10.0
71.01382	36.6
83.05034	6.3
85.02956	12.2
89.02450	35.3
93.70182	3.3
95.01392	7.3
95.04987	5.2
98.20638	4.6
99.04520	3.8
101.02455	20.8
107.01344	5.0
111.00880	5.6
113.02448	27.3
119.03484	9.0
122.03762	3.1
123.00867	11.0
123.04557	4.6
124.01661	3.6
125.02438	22.6
127.00384	3.6
136.98782	6.9
139.00372	7.5
140.01192	6.4
140.90532	3.1
151.00368	8.2
159.08202	3.7
159.11803	5.0
161.04591	6.0
161.13351	81.6
162.13794	4.9
165.30061	3.4
168.00653	10.4
169.01447	18.9
175.11357	3.5
182.72444	3.4
185.00978	5.0
185.13417	6.4
187.11273	45.0
188.11589	5.0
203.14404	4.2
205.12337	92.7
206.12682	9.5
208.73660	4.3
209.11890	7.4
211.13371	16.2
229.12392	19.8
247.13190	5.4
249.11307	77.4
249.15065	4.6
250.11641	6.9
292.22443	3.4
379.13983	12.9
384.84207	3.3
411.16464	56.9
412.16766	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	411.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
57.03431	1.0
59.01377	4.5
68.13448	0.6
69.03461	3.4
69.77620	2.1
69.78036	0.8
71.01387	8.8
73.02952	2.9
73.06870	0.6
81.03460	2.0
83.01393	1.3
85.02950	7.8
93.03468	1.3
95.01395	2.4
95.05013	0.9
97.02937	1.1
99.00877	1.3
101.02444	4.8
108.02174	100.0
109.02966	56.3
110.03284	1.5
113.02443	3.1
113.06093	1.7
113.85912	0.6
121.02929	1.4
123.00877	2.3
125.02417	1.2
128.79279	0.7
151.03970	1.2
152.01154	92.8
153.01945	27.7
154.02299	1.5
155.03548	0.9
161.04549	2.0
163.04008	1.4
165.01923	1.5
185.00830	1.7
315.07239	20.3
316.07553	1.1
361.73807	0.5
379.54034	0.6
411.12924	88.2
412.13245	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	411.1662
Annotation	Yadanziolide S
Peak:m/z	Relative Intensity
50.03067	0.6
53.00290	0.5
55.01896	0.5
59.01385	3.8
59.29673	0.6
60.73648	0.5
60.87999	0.5
62.11141	0.5
63.27243	0.5
65.00327	0.8
67.01888	1.5
68.99828	0.9
71.01390	2.2
71.52869	0.9
72.99302	1.3
73.46106	0.5
79.01892	1.5
81.03456	1.0
83.01397	1.3
83.04998	0.7
84.02154	0.6
85.02965	0.6
95.01395	2.6
97.02911	1.2
101.02470	0.7
106.00666	0.5
107.01412	4.5
108.02165	0.9
110.00108	0.8
111.00895	9.2
123.00893	10.9
124.01689	6.0
125.02452	30.9
126.02853	1.2
127.00397	3.6
136.98811	5.7
139.00385	11.8
140.01169	14.6
141.01944	1.0
151.00368	9.8
154.99852	0.9
161.13361	1.2
162.03210	1.1
163.11333	0.8
166.99870	1.4
167.03464	0.7
168.00653	24.3
169.01437	25.1
170.01810	1.0
183.02977	0.6
205.12340	1.5
209.11827	17.8
210.12152	1.3
217.55273	0.6
227.12843	3.5
249.11391	0.7
271.13412	0.8
299.12772	1.0
317.14005	1.5
335.11365	1.5
376.80103	0.6
379.13968	19.8
380.14273	1.8
393.15530	2.8
411.16586	100.0
412.16992	15.4
419.70374	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1269
Annotation	t(6)a
Peak:m/z	Relative Intensity
59.01373	2.9
61.98829	1.9
71.01372	1.8
71.22085	1.4
72.00910	28.5
74.02470	18.1
81.01661	0.6
85.02956	0.8
87.77578	0.8
89.02405	0.9
96.96009	0.8
97.73225	0.7
97.74683	0.6
100.00408	22.5
100.04040	1.5
101.02439	1.0
111.00913	0.6
113.02444	1.3
118.05105	100.0
119.05458	2.4
125.02444	0.8
133.05057	1.6
144.01889	1.0
144.03038	17.3
160.02650	5.5
161.04539	0.7
169.01460	0.8
249.03952	1.0
279.14420	1.3
384.82529	0.6
411.13370	0.9
411.18777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24995	19.6
60.18226	19.9
61.98817	54.6
70.05276	100.0
122.75831	21.3
272.50076	21.5
327.98364	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03791	13.7
57.86936	11.8
59.01394	65.3
61.98827	37.2
69.33270	100.0
71.01380	46.0
75.00879	23.3
89.02452	43.0
95.50976	12.0
101.02454	17.7
109.05123	11.6
113.02451	36.3
119.03510	30.8
145.02959	17.0
161.04559	16.7
162.03221	23.8
177.05641	21.6
179.05606	33.1
249.09679	29.8
250.10355	14.0
315.49103	15.7
357.12018	26.9
411.09952	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	7.1
60.99274	2.3
61.98830	10.7
62.49977	1.7
70.64733	5.3
71.01377	4.6
78.91923	2.3
79.95733	3.5
80.72265	2.5
80.96519	3.0
85.02962	2.6
87.00878	2.4
88.98794	6.4
89.02454	2.3
96.96008	100.0
100.00407	1.8
101.02468	2.2
113.02449	2.7
119.05025	4.3
125.02443	16.0
132.71979	1.9
135.44446	1.9
138.97061	8.1
145.02843	2.9
149.02419	7.1
149.03548	2.2
150.03215	10.8
161.04601	2.9
164.04744	3.9
165.05588	19.7
169.01414	24.9
195.06670	10.2
241.00223	61.0
242.00529	4.4
246.96822	2.0
327.10770	8.4
331.06708	2.6
345.60397	1.9
411.02414	44.5
411.10056	7.0
411.14792	2.6
412.02567	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	409.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63015	3.0
59.01369	3.7
78.95876	5.1
91.36380	3.1
91.54535	3.0
95.91322	3.1
98.03152	2.8
98.20693	4.9
108.02164	4.0
111.08162	2.7
122.03715	20.0
135.04489	16.2
136.01595	5.3
136.05299	9.7
141.30426	2.8
143.58870	2.9
149.06064	10.8
152.99594	4.3
195.84474	3.2
247.17136	3.5
259.16928	7.8
281.53558	3.0
287.16351	4.4
325.18274	4.4
337.21405	3.6
353.24860	16.2
355.22745	100.0
356.23172	19.3
381.24246	42.1
382.24667	4.8
409.23590	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	409.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63015	3.0
59.01369	3.7
78.95876	5.1
91.36380	3.1
91.54535	3.0
95.91322	3.1
98.03152	2.8
98.20693	4.9
108.02164	4.0
111.08162	2.7
122.03715	20.0
135.04489	16.2
136.01595	5.3
136.05299	9.7
141.30426	2.8
143.58870	2.9
149.06064	10.8
152.99594	4.3
195.84474	3.2
247.17136	3.5
259.16928	7.8
281.53558	3.0
287.16351	4.4
325.18274	4.4
337.21405	3.6
353.24860	16.2
355.22745	100.0
356.23172	19.3
381.24246	42.1
382.24667	4.8
409.23590	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	410.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01057	1.2
58.72028	1.1
59.01384	18.6
61.98830	100.0
69.03480	1.8
69.25437	2.8
69.25853	7.5
71.01392	4.0
72.22718	1.0
73.02956	5.8
97.02930	1.8
101.02438	4.1
143.03502	1.3
161.04637	2.1
274.75333	1.0
328.22845	1.1
344.57010	1.1
353.06381	1.1
411.12387	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	410.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06541	0.8
54.83973	0.8
59.01371	6.7
60.70726	0.8
61.52610	0.9
61.98830	100.0
69.74450	5.2
71.01375	1.2
75.95478	0.8
85.02949	1.3
101.02443	1.2
166.05960	0.9
211.02705	0.8
219.26642	0.9
300.99875	1.8
302.00302	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	408.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46909	45.3
70.92568	100.0
134.35529	42.8
155.96204	40.5
168.35352	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14934	1.6
59.01381	100.0
60.90421	1.5
61.44371	1.4
67.28167	1.4
70.02245	7.1
71.01382	27.9
72.99313	2.7
73.02936	6.2
83.01373	2.5
85.02959	7.5
89.02446	33.5
95.01378	2.5
98.19981	2.3
101.02452	20.6
101.06078	5.3
104.08224	1.8
107.21223	1.6
113.02437	12.9
119.03477	15.5
125.02453	2.6
129.91850	1.5
143.03513	4.2
161.04599	10.8
163.77176	1.7
164.83012	1.6
169.01427	1.6
179.05591	9.9
187.13338	6.0
247.02557	3.9
247.15395	2.9
284.05591	1.8
295.10336	2.6
324.38611	1.9
345.65063	1.7
345.83304	1.6
349.18643	28.3
388.78668	1.9
400.41226	1.6
406.66812	1.7
409.16446	1.6
409.20862	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	407.2802
Annotation	omega-Muricholate
Peak:m/z	Relative Intensity
59.01365	1.0
67.15057	0.3
69.37161	3.1
81.03407	0.3
82.91825	0.4
85.85825	0.4
88.62784	0.4
93.05145	0.4
99.08164	3.8
108.02171	3.8
113.84756	0.3
121.10240	1.3
122.03742	13.0
123.00871	0.5
123.04575	0.6
124.01663	1.2
135.04533	8.2
136.01657	3.9
136.04790	0.5
149.06079	1.3
191.10695	0.7
205.12361	1.3
217.50731	0.4
233.11871	0.4
235.13373	21.1
236.13687	1.8
245.15471	1.8
246.16211	1.5
247.17030	0.5
248.82867	0.4
249.14902	0.6
257.15536	3.2
259.16989	0.8
261.18564	0.4
263.16571	2.2
273.14957	2.2
274.15735	1.6
275.16489	3.9
289.18085	14.4
290.18314	2.2
291.19638	3.6
292.16763	0.5
301.21594	0.5
307.19183	7.3
315.31250	0.4
317.21078	0.5
329.21234	0.6
336.99966	0.4
345.24280	1.1
357.24326	2.8
358.24969	0.5
363.25406	0.5
377.26999	0.5
389.26837	1.2
407.28003	100.0
408.28326	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	408.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02570	1.7
55.22898	1.9
56.37449	2.2
59.01381	62.7
61.98820	3.6
62.95929	1.8
69.03455	3.0
70.52061	6.7
71.01380	16.6
73.02978	2.0
81.07491	1.7
85.02957	8.0
89.02438	11.8
95.01377	9.7
97.02959	3.7
99.00919	2.2
101.02452	12.3
107.01410	11.9
113.02435	9.5
119.03522	3.3
123.00880	19.9
125.02454	53.7
126.02758	2.8
127.00425	2.8
139.00417	5.4
140.01132	6.2
145.03006	4.0
151.00345	4.6
159.04509	2.2
161.02499	2.6
161.04524	7.2
163.04063	2.3
164.04646	1.8
166.99858	5.9
167.03438	2.3
168.00609	4.3
169.01430	67.2
170.01776	4.6
173.02408	4.1
175.03966	2.8
179.03583	2.0
179.05446	1.7
183.02972	2.0
185.02458	2.7
189.01910	2.0
190.02611	2.8
191.03516	4.0
193.01402	3.5
199.92659	1.8
201.01894	6.5
203.03484	5.9
209.08177	2.4
211.02501	10.0
229.01425	9.7
230.01851	2.4
231.02893	6.0
245.00856	5.1
247.02367	5.6
248.03055	2.1
248.06398	1.8
249.03989	8.9
257.00937	8.0
258.01340	4.5
271.04526	3.8
273.00418	2.2
274.01154	3.5
275.01959	30.8
276.02283	6.0
283.99725	2.6
294.03690	3.5
299.99060	4.4
300.99899	100.0
302.00226	23.2
303.00214	1.8
312.38580	1.9
316.03299	32.0
316.53409	8.6
331.06775	5.2
332.04657	26.6
332.54724	6.8
345.08356	4.1
347.17218	10.9
348.17310	10.4
349.18457	5.9
352.08856	2.2
371.03351	2.3
392.03772	12.5
392.54144	2.6
408.05112	19.0
408.55380	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	407.2803
Annotation	omega-Muricholate
Peak:m/z	Relative Intensity
59.01371	1.0
69.37105	3.5
96.14552	0.5
97.02946	0.5
99.08150	4.9
108.02171	3.3
121.10213	1.2
122.03746	11.3
123.04504	0.6
124.01629	1.7
135.04523	7.9
136.01666	4.1
139.11337	0.5
149.06076	1.2
166.38675	0.4
171.10284	0.5
181.33417	0.4
205.12341	1.4
235.13387	24.2
236.13768	1.8
245.15535	2.1
246.16074	2.1
249.15001	0.9
255.13969	0.4
257.15460	3.9
261.14975	0.6
263.16525	1.9
272.14200	0.4
273.14999	2.5
273.17493	0.4
274.15671	1.7
275.16440	2.6
277.17957	0.5
278.15201	0.7
289.18073	15.7
290.18399	2.2
307.19128	8.0
308.19516	0.7
317.21057	1.0
335.22443	0.5
354.64868	0.5
357.24228	3.9
358.88382	0.6
377.26724	0.7
389.26941	1.1
407.28018	100.0
408.28351	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	407.2202
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.72395	1.0
51.38586	0.9
52.71800	1.0
59.01358	1.9
71.50715	1.1
74.91704	0.9
76.24204	0.9
78.95906	100.0
96.96962	8.7
98.97343	1.1
150.97986	1.7
152.99586	81.9
153.99898	1.4
171.00641	61.4
172.00932	1.3
407.21860	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38148	1.0
59.01382	100.0
60.01720	1.3
64.58578	1.2
69.31570	2.9
69.31992	5.7
71.01379	14.5
71.81287	1.0
73.02954	3.5
75.79947	1.0
83.01370	2.1
85.02947	5.3
85.43111	0.9
89.02445	14.1
90.11311	0.9
101.02429	9.2
110.06824	1.0
113.02448	6.2
119.03494	5.5
123.00893	2.3
125.02506	3.4
143.03525	1.8
149.04518	1.6
161.02496	1.6
161.04546	9.0
163.03954	1.1
169.01372	4.7
173.02513	1.7
175.04054	1.4
179.05641	3.8
183.31615	1.0
201.01953	1.8
209.08224	1.7
217.01393	1.6
229.01442	3.3
230.01936	1.0
245.00891	2.8
247.02444	1.4
249.04030	1.9
273.00491	1.7
275.01907	6.2
300.99878	21.8
302.00220	4.5
303.00378	1.5
316.03152	2.0
347.17105	30.1
348.17465	3.6
350.80280	1.0
408.05188	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	407.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98812	1.4
66.40803	1.0
69.73507	3.8
71.01383	16.1
73.02943	3.7
73.85494	0.9
83.01390	2.3
85.02943	6.2
89.02444	9.5
95.01394	3.7
101.02437	10.6
109.02908	1.2
113.02449	6.2
117.03519	2.0
119.03510	5.0
123.00880	3.4
125.02463	5.6
126.64785	1.0
133.02956	2.5
143.03383	1.1
145.02951	3.9
157.02975	1.1
159.04488	1.3
161.02425	4.0
161.04529	11.2
163.00298	2.3
163.04031	1.8
169.01422	5.4
171.00838	1.4
172.01578	1.5
173.02379	3.6
174.02954	1.1
175.03937	2.1
177.01892	1.6
179.05623	2.8
183.52367	1.1
185.02397	2.7
189.01897	3.4
190.02661	2.2
191.03427	2.9
200.01093	2.5
201.01918	3.0
202.02277	1.8
203.03490	3.4
209.08110	2.8
213.01846	1.0
214.99751	1.9
215.03632	1.2
217.01408	3.9
218.01830	1.6
219.02878	2.0
229.01401	6.4
230.01746	1.4
231.02969	2.2
243.99832	1.8
245.00920	4.0
246.01312	1.4
247.02522	2.1
249.04042	3.0
257.00858	3.3
258.01685	1.4
261.00299	2.3
270.98758	2.3
271.99481	1.5
273.00272	2.4
274.01028	1.7
275.02002	10.3
276.02368	1.9
298.98270	1.4
299.99045	3.3
300.99890	42.5
302.00186	13.0
303.00513	1.6
347.17111	33.3
348.17535	4.0
371.13687	1.3
376.52603	1.5
378.54236	2.4
407.18341	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	407.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39542	1.3
57.03440	2.1
58.00604	1.6
58.35836	1.3
59.01379	100.0
60.01686	1.6
62.94517	1.5
63.96232	4.3
64.88829	1.2
71.01379	25.2
72.99305	6.0
73.02951	22.7
74.99103	3.5
75.00891	1.9
79.95732	3.4
83.01383	2.7
85.02477	1.8
85.02919	9.7
87.00879	3.4
87.78816	1.4
89.02437	17.4
90.28633	1.3
93.08099	1.4
97.06582	3.3
99.00899	2.2
100.00396	2.5
101.02455	16.7
107.04984	2.0
107.69043	1.4
108.02164	8.7
109.02956	2.0
113.02464	11.9
115.07674	1.9
117.97296	1.6
119.03535	9.3
119.05019	24.2
120.05354	12.8
122.03745	3.3
123.04459	1.8
125.02431	2.8
131.03464	2.0
134.06184	1.8
135.04521	2.1
135.98347	9.4
136.99094	3.5
137.06136	1.4
137.85828	1.7
143.03481	3.1
143.04564	1.6
145.02988	8.6
146.03267	7.4
147.08199	1.6
151.07570	1.8
161.04535	5.3
162.05324	1.4
163.04004	6.9
163.07628	2.8
164.04323	4.3
164.08379	3.4
165.08008	1.5
165.09206	35.2
166.09567	2.4
179.05565	4.3
179.07030	2.1
191.07124	18.0
191.31068	1.5
192.07379	1.7
203.12888	1.8
203.95029	1.5
206.04590	7.5
207.03140	1.6
207.04951	6.2
209.08186	98.5
210.08476	5.6
227.12820	3.0
259.11853	3.7
283.11584	5.3
309.07471	1.9
327.10522	6.4
347.17224	8.3
365.18036	3.6
371.13434	50.7
372.13950	7.0
407.06149	35.6
407.19333	24.6
408.06107	6.9
408.19037	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	406.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83437	25.8
69.90375	100.0
75.80434	23.9
98.19962	33.4
111.42650	21.2
174.25710	20.7
240.00023	20.9
395.14493	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	407.062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01074	0.6
59.01378	12.1
68.57115	0.5
69.69968	3.0
71.01381	4.8
73.02952	1.6
77.05356	0.5
85.02940	1.3
89.02444	3.3
90.92100	0.4
98.07394	0.4
101.02448	4.4
109.03006	0.6
113.02435	1.8
119.03487	1.1
119.05010	2.1
120.05365	1.0
125.02459	1.5
145.02942	1.4
147.04436	0.6
153.01906	0.5
161.04536	1.9
163.03952	0.8
169.01428	1.6
173.02432	0.8
175.03984	1.6
179.05608	0.7
185.11876	0.6
187.03999	0.5
189.01889	3.4
190.02687	10.7
191.03400	1.6
200.01137	1.3
201.01910	2.6
202.02742	2.6
203.03476	3.7
206.04591	0.7
206.66199	0.5
207.04817	0.6
213.02045	0.8
217.01332	1.1
218.02200	11.5
219.02852	2.0
222.01682	1.0
228.00674	3.2
229.01367	11.1
230.01901	1.7
231.02965	1.4
243.04161	1.1
244.04890	1.0
245.00835	1.8
246.01692	2.0
247.02477	1.4
256.00037	1.0
256.98264	1.0
257.00925	15.9
258.01556	3.9
259.07108	1.3
271.07349	0.9
273.00320	1.3
274.01187	51.6
275.01950	100.0
276.02295	9.2
287.10342	3.4
291.09763	0.7
311.04501	0.5
313.08286	5.0
314.08527	0.6
331.09430	3.0
347.17047	10.2
375.08331	0.7
407.06165	91.0
407.10260	3.6
407.18454	1.8
408.06512	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	406.06
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.9
70.32797	2.6
70.33114	1.1
71.01376	2.9
72.00903	2.4
79.95729	19.8
80.96513	5.7
93.03512	2.3
100.00420	10.1
101.02428	1.2
106.91325	1.1
107.05007	4.3
117.03511	6.5
119.05026	93.6
120.05370	4.0
134.06119	11.1
135.06436	1.4
145.02946	43.1
146.03229	1.9
146.06044	1.4
162.05602	2.1
163.03993	19.6
163.05261	2.1
165.09079	1.3
174.05602	2.4
176.07190	1.6
180.06691	5.1
197.44176	1.2
206.04553	23.1
207.04993	1.3
208.25766	1.0
214.01811	8.2
234.12912	1.0
248.98843	1.2
260.02322	1.2
282.11383	15.5
283.11539	1.2
286.00235	3.9
326.10281	6.0
327.10651	1.4
362.07016	7.8
406.05988	100.0
407.06009	11.1
407.10468	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	406.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	56.9
64.27649	38.0
69.90437	100.0
246.84157	41.8
339.35269	40.9
343.64435	44.6
369.73489	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2645
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
59.01380	0.8
61.98834	1.0
69.03452	0.9
84.02175	3.3
89.70319	0.5
91.05566	0.5
97.02962	2.9
97.06572	5.0
99.04518	1.0
108.02182	4.2
109.06611	0.8
113.02421	0.5
121.02988	0.6
122.03745	13.1
124.01672	1.5
135.04518	9.6
136.01663	5.0
136.04906	0.4
149.06100	2.0
161.65073	0.5
164.08505	0.5
177.09369	0.5
191.10757	0.6
205.12366	1.9
225.35567	0.6
231.13777	0.8
235.13406	20.8
236.13704	1.3
245.15433	1.9
246.16162	1.8
247.17088	0.8
249.15007	1.3
257.15366	2.5
258.15836	0.6
259.16898	0.9
261.15015	0.9
261.18402	0.9
263.16547	4.5
273.14923	2.2
274.15704	1.6
275.16577	2.2
277.18253	0.5
285.14874	1.1
289.18094	15.5
290.18481	1.8
307.19177	7.1
308.19321	0.7
317.17639	1.1
329.21103	1.1
355.22781	3.8
356.23132	0.7
361.23679	1.2
369.24347	1.1
387.25281	2.1
405.26447	100.0
406.26785	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	406.0262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58320	1.1
57.03443	1.4
59.01386	100.0
60.01710	1.1
61.98835	10.9
71.01395	21.0
73.02946	4.9
74.99119	1.5
83.01395	2.0
85.02960	5.3
87.00889	3.4
89.02457	16.6
95.01394	2.7
99.00883	1.9
99.92608	1.3
101.02458	14.4
102.02833	1.3
107.01418	1.4
111.00898	1.9
113.02456	10.7
113.04324	1.1
115.04018	2.1
119.03532	7.9
120.99645	1.7
122.06086	1.4
125.02467	12.0
125.06023	1.3
131.03497	1.9
133.03072	1.3
139.00389	4.0
143.03543	2.1
145.02972	3.3
145.05006	1.2
147.04535	1.6
151.03983	1.3
153.01897	2.6
154.02708	3.2
154.99886	4.6
156.01215	1.4
161.02457	1.9
161.04532	4.6
163.03969	2.0
165.09251	2.3
169.01431	20.3
169.05008	2.4
170.05406	2.7
173.02446	1.2
175.02585	1.6
175.03955	1.6
179.05577	5.4
185.02312	1.4
189.01927	1.4
191.03540	1.7
201.01848	1.6
201.11263	1.5
209.08208	4.6
217.01431	2.5
227.03331	1.3
229.01427	2.9
245.01039	1.6
245.04634	1.7
247.02428	1.8
255.02800	1.8
257.00790	1.7
273.00317	1.5
275.01868	4.1
300.99927	16.7
302.00308	2.1
343.03098	2.0
346.15594	2.3
347.17062	8.2
364.17093	2.2
365.18073	1.3
371.13547	1.9
406.06171	1.7
406.17654	3.1
407.07971	1.9
407.19312	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	406.0601
Annotation	Scolopendrine
Peak:m/z	Relative Intensity
61.98820	7.5
63.89567	0.7
69.94624	3.0
72.00893	4.5
79.95735	7.8
80.96512	1.5
82.97755	0.7
93.03468	2.1
97.08079	0.8
100.00401	12.4
104.65203	0.8
107.05022	5.4
117.03470	10.0
119.05025	100.0
120.05344	5.3
123.98250	0.9
134.06116	7.5
145.02945	53.6
146.03278	2.7
162.05589	3.0
163.04008	23.8
164.04391	1.3
172.08275	0.8
174.05638	0.9
180.06683	5.1
202.05058	0.8
206.04573	39.7
207.04886	2.5
214.01813	4.3
282.11313	14.1
283.11545	1.3
326.10300	17.1
327.10645	1.9
362.06876	5.2
393.92938	0.9
406.05966	85.2
407.06281	12.2
407.11227	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	405.2645
Annotation	3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
Peak:m/z	Relative Intensity
57.03441	0.5
84.02161	2.0
91.05525	2.6
97.02957	2.4
97.06596	4.0
99.04524	0.6
108.02186	3.8
109.06575	1.6
122.03738	15.9
123.00842	0.6
123.04631	0.7
124.01643	1.5
135.03506	0.7
135.04529	10.3
136.01674	4.6
146.84930	0.4
149.06081	0.9
177.09222	0.5
179.58125	0.5
191.10751	1.1
205.12363	1.0
233.11752	0.6
235.13383	17.7
236.13715	1.4
245.15479	1.7
246.16145	1.5
249.14987	2.0
253.78069	0.5
257.15451	3.5
261.15012	1.5
263.16507	18.3
264.16791	2.4
273.14923	1.7
274.15646	1.4
275.16504	2.0
277.18185	1.9
278.15274	1.0
285.15073	1.2
287.16602	0.5
289.18088	13.3
290.18561	1.6
301.18121	0.9
304.16824	0.8
307.19141	5.3
311.20068	1.0
317.17502	1.1
329.21255	2.2
346.42215	0.5
352.93625	0.5
355.22769	5.2
356.23129	1.0
361.23859	1.5
369.24280	1.1
387.25461	2.9
388.26038	0.5
405.26465	100.0
406.26822	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
53.16132	0.8
55.01868	1.8
57.03446	0.9
58.00598	2.1
58.94151	0.8
59.01380	63.4
61.98831	5.4
71.01382	54.1
71.52249	1.1
72.01722	1.0
72.99313	3.3
73.02937	3.0
83.01389	3.3
83.35000	0.7
85.02944	9.0
86.11425	0.7
87.00874	1.6
89.02445	33.6
95.01391	2.5
101.01800	1.5
101.02445	25.0
101.03107	1.3
108.02173	4.0
109.72504	0.7
111.04684	0.8
113.02448	15.2
119.03519	15.0
119.05006	1.0
120.03794	0.8
120.99684	3.6
125.02390	1.0
127.11303	1.4
130.86772	0.8
131.03484	1.0
139.11307	0.9
143.03522	1.7
149.04547	0.9
152.01152	3.5
152.24310	0.8
153.12823	3.4
161.04524	1.9
169.01433	1.2
179.05602	2.8
181.12244	1.2
199.13367	6.5
225.14876	2.1
243.06679	1.5
243.15947	1.9
259.02216	0.8
261.79059	0.7
273.00156	0.9
285.12485	2.7
288.85718	0.7
317.14975	1.3
363.20258	2.1
377.12323	1.5
387.20239	2.1
405.21249	100.0
406.21555	14.4
429.64594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2131
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01862	2.0
57.03434	1.1
58.00589	1.1
59.01380	31.0
61.98817	2.5
68.82763	0.5
69.98707	2.4
71.01385	21.5
72.99300	2.2
73.02956	4.3
83.01373	3.9
85.02947	7.6
85.06588	2.9
87.00865	1.7
89.02450	13.4
91.62303	0.6
95.01392	2.0
95.30911	0.6
97.06577	1.5
98.20545	1.3
99.00871	3.7
100.13932	0.7
101.02439	14.0
108.47785	0.6
113.02454	7.8
119.03484	4.6
125.02403	1.4
126.89285	0.6
141.03085	0.5
155.14418	7.7
161.04619	0.8
169.01381	1.2
181.15932	3.9
199.07512	0.7
199.13388	16.9
200.13675	1.7
224.90762	0.7
225.14903	4.8
243.15994	2.3
354.19125	0.6
366.37033	0.7
387.20230	1.2
405.21249	100.0
406.16553	0.9
406.21597	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	405.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
57.03444	1.2
58.00587	1.3
59.01378	100.0
60.01722	0.8
61.98826	2.7
69.03469	1.6
70.15458	1.6
70.15866	0.9
70.66242	0.6
71.01382	32.8
72.99312	1.5
73.02943	18.9
81.03450	0.6
83.01385	5.7
83.89770	0.6
85.02959	6.9
86.00095	1.8
87.00875	3.2
87.64028	0.6
89.02439	18.6
95.01408	2.1
96.96025	0.6
97.02955	1.8
97.06633	0.5
99.00925	1.4
101.02441	23.3
107.05019	3.7
109.03022	0.8
109.22977	0.6
113.02460	11.5
114.02747	0.5
115.04041	1.0
119.03493	5.8
121.05367	0.6
122.06156	1.2
123.23299	0.6
125.02430	5.3
125.06107	2.7
131.03499	1.4
139.00406	1.4
139.25879	0.5
143.03497	7.7
149.04607	1.5
153.01974	0.7
154.02802	1.1
161.02498	0.7
161.04549	6.8
168.04257	0.6
169.01448	1.6
169.05150	1.5
177.09204	0.6
179.05568	3.7
181.08757	1.3
183.10146	0.8
201.11305	8.3
229.01520	1.0
236.43698	0.6
267.22375	0.6
271.11880	3.6
275.02353	0.7
289.12027	1.2
300.99878	2.7
345.15500	21.3
346.15967	2.8
363.16589	17.6
364.17145	2.0
394.00751	0.5
405.13077	0.6
405.17722	6.8
406.18256	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91389	0.5
58.00605	1.4
59.01383	29.2
61.76695	0.5
71.01031	0.9
71.01379	15.1
72.99313	1.2
73.02951	4.5
81.51913	0.5
85.02952	4.2
89.02449	16.5
95.01395	1.7
95.05058	0.7
99.04543	1.3
101.02463	7.7
113.02457	6.8
119.03494	5.6
120.52789	0.5
161.04568	1.1
163.11273	3.7
179.05695	1.1
181.12347	25.6
182.12697	1.8
207.10295	1.0
224.13074	0.5
225.11320	100.0
226.11681	9.1
243.12338	1.3
279.17621	0.5
299.36731	0.6
405.17633	26.9
406.17990	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35036	2.0
58.00599	4.2
59.01385	89.3
69.97299	2.2
71.01385	53.8
71.28623	3.7
72.99313	3.0
73.02962	7.0
79.87415	2.3
83.01392	2.2
85.02960	8.5
87.00893	4.1
89.02451	57.9
95.01402	3.3
101.02438	26.8
113.02460	19.2
119.03511	26.7
119.04979	4.4
122.35968	2.2
125.09673	2.7
130.93832	1.9
131.03510	2.4
143.03493	2.9
145.02983	2.2
145.06183	3.2
151.47742	2.3
161.04561	2.9
163.11319	4.2
179.05614	5.9
181.12373	26.4
225.11346	100.0
225.13602	5.0
226.11711	5.1
243.03160	2.1
243.12331	14.0
311.10480	3.6
405.17523	48.5
405.25397	4.5
406.05835	4.0
406.17865	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	405.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.7
59.01382	100.0
60.01711	1.5
61.98826	2.3
63.73752	1.0
64.91878	0.9
69.03469	4.3
71.01386	6.9
71.27974	1.7
71.98403	0.9
72.00904	2.0
72.54550	0.9
73.02926	2.6
79.95737	15.2
80.96525	3.9
83.01385	1.1
85.02953	2.4
85.94477	0.8
87.00864	1.4
89.02454	6.3
93.03477	2.1
100.00407	9.2
101.02479	3.2
107.05029	3.5
111.08115	1.3
113.02441	5.3
113.06042	0.9
117.03464	5.7
119.03568	2.9
119.05029	69.0
125.02442	1.2
125.63873	1.0
134.06119	8.9
139.11299	4.1
141.53845	1.0
145.02962	34.2
146.06168	1.6
161.04582	2.9
162.05638	2.3
163.04007	15.2
169.01419	1.1
176.07092	1.6
180.06621	3.6
181.12379	1.9
182.38602	1.0
183.10251	49.2
184.10556	2.2
192.55803	1.0
199.00693	1.2
199.13348	2.0
206.04581	16.9
214.01767	6.5
225.11302	3.1
229.01312	1.2
242.02110	1.2
243.02979	22.7
243.12369	7.9
244.03217	2.3
260.02094	1.3
271.99579	1.8
282.11334	12.8
286.00293	3.0
300.99820	6.0
311.10440	2.5
326.10205	6.3
326.97980	4.5
344.98752	4.0
362.07104	7.5
405.00732	1.6
405.08414	1.6
405.17203	1.9
405.25415	2.2
406.05991	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01704	1.4
60.31671	0.8
61.98832	3.4
69.34957	7.1
70.50600	0.8
71.01369	1.5
81.18430	0.8
88.98794	1.2
89.02437	1.9
92.23444	0.9
95.01389	1.3
98.20616	1.3
101.02428	0.9
113.02489	0.8
117.03434	1.1
120.62629	1.0
121.03004	1.1
125.02460	1.7
131.02423	0.9
145.02959	2.4
153.01945	2.2
153.05623	1.3
157.02899	1.4
159.29414	0.8
161.02481	2.0
163.03998	1.6
168.04250	3.5
169.01433	2.2
173.02396	1.9
183.06628	19.4
184.06944	1.4
189.01909	1.7
190.02719	0.8
191.03534	1.2
201.01974	2.3
203.03493	1.4
210.43190	0.9
216.00671	1.1
217.01358	2.1
229.01363	3.0
231.02971	1.4
245.00980	2.6
247.02457	1.5
249.03949	1.1
270.98767	1.1
273.00403	1.6
275.02032	5.3
283.99567	1.1
298.98239	1.5
299.99142	1.5
300.99905	23.3
315.79623	1.1
356.04376	1.0
370.04376	1.5
378.04053	1.5
392.03714	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	2.5
59.01382	20.0
61.98827	27.5
67.01875	1.2
69.64320	6.4
71.01381	12.6
71.20167	1.2
72.21266	1.2
73.02944	4.2
79.01874	1.4
83.01370	2.0
85.02940	4.5
87.00869	6.1
89.02453	4.1
95.01369	3.4
99.00842	1.8
99.03512	1.2
101.02439	7.4
107.01381	3.5
111.00859	3.7
113.02473	4.7
119.03548	2.1
123.00879	12.4
125.02448	20.3
133.02890	1.5
136.01622	2.0
137.02457	2.5
139.00356	5.3
140.01144	2.0
141.01878	1.7
151.00362	11.1
151.04013	2.3
152.04715	1.5
153.01897	2.1
161.04558	4.7
163.03925	1.6
164.01120	4.9
165.01926	30.8
165.05565	1.7
166.02173	1.4
168.00577	4.1
168.04166	1.5
169.01418	24.1
177.01941	10.6
179.03502	49.9
180.04268	30.8
181.04626	2.2
185.11908	1.2
192.04254	3.5
194.05832	18.9
195.06618	100.0
196.06969	5.1
199.46722	1.2
201.11189	1.8
210.05283	2.7
225.07686	16.9
226.08035	1.5
270.99271	1.2
271.11838	1.3
275.02118	1.4
301.00043	6.1
313.05740	1.9
315.88809	1.2
345.15552	1.9
357.11728	5.9
361.09274	1.9
373.16431	1.4
374.79575	1.3
405.10370	77.0
406.10565	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	405.119
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01370	2.7
61.98821	0.5
62.92317	0.3
65.00330	0.8
65.03970	2.5
67.01890	1.5
68.99828	0.9
69.18974	0.4
69.19273	3.9
71.01382	1.5
78.01062	0.3
80.02670	0.8
85.02974	0.6
87.34817	0.3
89.02446	0.6
91.01894	41.3
92.02224	1.9
93.03469	0.7
101.02449	0.6
107.05022	2.1
108.02179	3.1
109.02953	26.8
110.03298	1.0
121.02935	1.8
123.00928	0.5
123.04497	0.4
125.02509	0.5
133.02946	1.5
135.00880	100.0
136.01160	3.4
137.02431	4.3
138.02762	0.6
149.02420	1.7
153.01929	81.0
154.02269	3.5
161.02274	0.5
175.04007	3.2
177.01938	2.5
197.06023	0.9
197.10214	0.4
225.05539	1.0
243.06602	11.8
243.16058	0.7
244.06963	1.2
267.06607	0.6
297.06128	11.8
298.06464	0.9
353.68021	0.4
405.11972	9.1
405.20822	4.3
406.12140	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	405.119
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01114	1.6
59.01381	19.8
59.54897	1.1
61.98835	4.3
68.99842	1.2
69.03455	54.4
70.03779	1.9
71.01372	13.7
71.52360	1.5
72.99281	1.2
73.02946	4.9
79.01889	30.0
80.02234	1.3
81.03447	2.9
83.01384	2.7
84.58299	1.2
85.02943	8.3
89.02453	6.0
93.03452	5.3
95.01385	12.6
97.02950	28.3
99.00871	1.8
101.02439	9.9
107.01386	67.0
108.02191	46.8
109.03008	7.6
113.02424	5.6
119.05040	2.3
119.38219	1.3
121.02997	6.4
121.03700	1.1
123.00896	18.4
123.04532	2.4
125.02444	54.3
126.02742	3.2
133.02939	2.1
135.00897	4.0
135.04465	1.8
136.01649	6.9
137.02451	7.1
145.02968	2.4
149.02428	5.2
151.00365	75.3
151.03957	1.7
152.00955	4.2
153.01913	17.8
154.55887	1.2
161.04546	1.8
163.03979	10.1
169.01422	3.5
177.01897	13.1
197.06036	5.3
198.06645	1.8
199.07645	23.6
200.08000	1.7
242.05843	100.0
243.06549	57.9
244.06924	4.5
285.07730	6.9
297.06024	17.3
298.06561	1.3
345.19385	1.4
363.20181	2.5
405.12167	18.8
405.21005	20.7
406.12268	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	1.6
59.01381	19.8
59.54897	1.1
61.98835	4.3
68.99842	1.2
69.03455	54.4
70.03779	1.9
71.01372	13.7
71.52360	1.5
72.99281	1.2
73.02946	4.9
79.01889	30.0
80.02234	1.3
81.03447	2.9
83.01384	2.7
84.58299	1.2
85.02943	8.3
89.02453	6.0
93.03452	5.3
95.01385	12.6
97.02950	28.3
99.00871	1.8
101.02439	9.9
107.01386	67.0
108.02191	46.8
109.03008	7.6
113.02424	5.6
119.05040	2.3
119.38219	1.3
121.02997	6.4
121.03700	1.1
123.00896	18.4
123.04532	2.4
125.02444	54.3
126.02742	3.2
133.02939	2.1
135.00897	4.0
135.04465	1.8
136.01649	6.9
137.02451	7.1
145.02968	2.4
149.02428	5.2
151.00365	75.3
151.03957	1.7
152.00955	4.2
153.01913	17.8
154.55887	1.2
161.04546	1.8
163.03979	10.1
169.01422	3.5
177.01897	13.1
197.06036	5.3
198.06645	1.8
199.07645	23.6
200.08000	1.7
242.05843	100.0
243.06549	57.9
244.06924	4.5
285.07730	6.9
297.06024	17.3
298.06561	1.3
345.19385	1.4
363.20181	2.5
405.12167	18.8
405.21005	20.7
406.12268	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1191
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
54.85642	0.7
59.01368	5.1
61.98825	2.4
69.03455	54.7
70.03790	1.3
71.01369	1.0
72.73641	0.8
79.01891	38.7
80.02232	0.8
81.03452	2.6
83.01383	1.0
85.02951	1.8
88.50688	0.6
89.50943	0.6
93.03458	1.1
94.24697	0.8
95.01386	9.2
96.01711	0.7
97.02950	30.1
101.02424	1.1
107.01389	76.3
107.24592	0.7
108.02280	4.8
109.02945	5.3
113.02445	1.6
121.02953	2.9
123.00886	16.9
123.04472	1.2
124.01119	0.7
125.02447	56.0
126.02793	2.3
133.02982	1.7
135.00888	19.6
135.04518	1.4
136.01694	6.0
137.02419	2.8
149.02438	2.6
151.00365	83.2
152.01128	8.3
153.01932	25.5
154.02255	1.1
161.02423	1.0
163.04024	5.8
164.04344	1.3
177.01939	8.5
197.06046	1.1
198.06935	0.9
207.02977	0.7
217.12193	0.8
219.02953	0.8
225.05576	0.9
242.05838	100.0
243.06520	34.6
244.06921	3.0
285.07623	3.9
297.06003	6.2
322.09927	0.6
405.11890	45.2
406.12219	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	404.244
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
69.46378	21.5
82.94592	26.8
125.50289	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	404.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14528	16.7
57.03622	20.4
61.98848	45.0
69.88696	17.6
69.91119	100.0
88.95982	19.6
98.20006	22.0
98.51462	19.5
300.51523	19.9
356.56158	19.3
380.27609	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	405.1191
Annotation	Astringin
Peak:m/z	Relative Intensity
53.48780	0.2
59.01385	1.4
60.02855	0.2
61.92532	0.2
61.98831	0.3
62.70466	0.2
62.75820	0.2
63.02383	0.3
65.00325	0.6
80.02686	0.5
85.60968	0.3
91.01895	15.6
92.02232	0.7
93.03466	1.4
95.01379	1.0
98.19862	0.6
103.59451	0.2
107.01333	0.4
107.05035	0.5
108.02171	19.7
109.02990	3.6
111.00916	0.2
114.58565	0.2
121.02948	0.7
123.00880	6.1
124.01671	0.5
135.00887	15.4
136.01210	0.5
137.02435	5.3
152.01149	18.3
153.01511	0.7
169.06686	0.4
197.06085	1.2
199.07689	0.7
212.14792	0.3
213.05598	1.4
215.07141	0.9
225.05579	0.5
243.06601	100.0
244.06953	9.6
244.09500	0.5
266.85638	0.3
378.70117	0.2
405.11859	5.3
406.12192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51695	0.4
57.55983	0.4
59.01377	0.6
61.98830	100.0
70.04999	1.2
80.30859	0.3
89.02444	0.6
104.85943	0.3
126.02634	0.4
177.02013	0.5
305.92056	0.4
331.30875	0.5
416.27951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.2
61.98829	35.6
71.50277	4.7
79.20660	4.1
93.03467	7.9
108.02192	7.1
112.39072	3.2
117.06810	3.5
121.02913	3.9
122.03738	43.4
124.01685	5.7
124.05303	8.9
133.94373	3.5
135.04530	58.6
136.01646	11.7
136.04811	3.9
145.15097	3.8
149.06111	5.4
152.04553	3.3
191.10733	5.8
218.70003	4.4
219.13872	5.5
233.15364	3.8
249.14874	3.8
261.14920	8.3
263.16437	23.6
277.18066	5.0
287.16492	9.2
289.18045	9.3
305.17612	11.0
327.19574	5.3
341.21091	12.3
344.19803	4.3
353.21204	62.8
354.21539	10.1
355.18921	9.3
359.18176	6.0
359.22263	70.2
360.22632	10.3
367.05093	4.5
367.22769	9.5
370.21478	13.0
385.23804	100.0
386.24115	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
58.02703	0.9
58.02978	9.2
59.01381	8.1
61.98830	4.5
62.32299	0.5
66.03480	1.2
67.01903	0.7
69.03474	0.8
70.02970	1.3
71.01387	7.0
71.50934	1.0
72.00920	1.9
72.04550	0.5
72.99308	0.8
73.02953	2.1
74.02472	23.5
78.95903	1.3
79.01899	1.1
81.04595	1.6
82.02994	2.3
83.01394	1.1
83.46472	0.5
84.04536	1.0
85.02953	3.8
85.04059	1.1
86.02478	8.9
86.06108	1.3
86.35601	0.5
86.99113	2.3
87.00877	1.0
87.05642	7.2
88.04055	0.8
89.02458	3.0
89.99734	0.5
90.00198	3.4
95.01403	1.7
96.04559	0.6
97.02947	0.6
97.04076	2.3
98.96624	0.5
99.00918	0.7
99.05643	22.2
101.02441	5.3
101.07208	3.0
102.05602	3.3
107.01398	2.4
107.06158	1.2
109.04083	2.8
111.00912	2.3
111.05656	2.0
112.04060	2.1
113.02447	2.3
113.03598	0.6
114.38278	0.5
116.01781	1.5
117.97327	0.9
119.03511	1.2
120.01255	0.7
123.00896	10.7
123.05645	2.4
124.01685	0.9
124.04059	1.5
125.02452	10.3
125.03543	2.1
126.01996	0.6
127.00366	0.7
127.05150	4.4
128.03542	58.4
129.99684	0.8
131.04628	1.5
135.02998	0.7
135.05632	5.2
136.98819	1.3
137.07179	0.8
139.00424	4.4
139.05070	0.7
140.01186	2.4
141.01927	1.1
141.06715	6.0
143.04623	84.0
144.01216	0.5
145.06165	3.0
146.04602	7.1
149.07201	1.0
151.00371	9.6
153.01917	0.5
153.06679	4.9
153.09244	0.6
155.08224	1.2
160.00743	25.5
161.04637	0.6
166.02737	0.9
166.09866	3.5
167.04607	6.7
167.08261	2.8
168.00653	2.9
169.01418	13.5
170.03293	1.2
171.04031	1.3
171.07703	1.3
177.03395	9.9
179.04625	17.5
180.07806	0.7
181.05035	1.7
181.06230	2.0
184.10922	1.3
185.05664	2.8
192.07808	1.8
197.05687	2.8
197.11905	0.5
198.08798	1.3
202.95573	0.5
210.08836	15.8
211.02507	0.7
213.03490	1.0
224.41943	0.5
228.09862	1.5
231.04494	1.1
235.06056	0.6
241.14449	2.3
242.07861	2.1
254.07817	27.5
272.05850	1.3
272.08871	41.6
288.06564	12.5
306.07648	100.0
403.12430	68.1
403.18259	1.0
403.20697	1.2
404.12692	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	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
58.02703	0.9
58.02978	9.2
59.01381	8.1
61.98830	4.5
62.32299	0.5
66.03480	1.2
67.01903	0.7
69.03474	0.8
70.02970	1.3
71.01387	7.0
71.50934	1.0
72.00920	1.9
72.04550	0.5
72.99308	0.8
73.02953	2.1
74.02472	23.5
78.95903	1.3
79.01899	1.1
81.04595	1.6
82.02994	2.3
83.01394	1.1
83.46472	0.5
84.04536	1.0
85.02953	3.8
85.04059	1.1
86.02478	8.9
86.06108	1.3
86.35601	0.5
86.99113	2.3
87.00877	1.0
87.05642	7.2
88.04055	0.8
89.02458	3.0
89.99734	0.5
90.00198	3.4
95.01403	1.7
96.04559	0.6
97.02947	0.6
97.04076	2.3
98.96624	0.5
99.00918	0.7
99.05643	22.2
101.02441	5.3
101.07208	3.0
102.05602	3.3
107.01398	2.4
107.06158	1.2
109.04083	2.8
111.00912	2.3
111.05656	2.0
112.04060	2.1
113.02447	2.3
113.03598	0.6
114.38278	0.5
116.01781	1.5
117.97327	0.9
119.03511	1.2
120.01255	0.7
123.00896	10.7
123.05645	2.4
124.01685	0.9
124.04059	1.5
125.02452	10.3
125.03543	2.1
126.01996	0.6
127.00366	0.7
127.05150	4.4
128.03542	58.4
129.99684	0.8
131.04628	1.5
135.02998	0.7
135.05632	5.2
136.98819	1.3
137.07179	0.8
139.00424	4.4
139.05070	0.7
140.01186	2.4
141.01927	1.1
141.06715	6.0
143.04623	84.0
144.01216	0.5
145.06165	3.0
146.04602	7.1
149.07201	1.0
151.00371	9.6
153.01917	0.5
153.06679	4.9
153.09244	0.6
155.08224	1.2
160.00743	25.5
161.04637	0.6
166.02737	0.9
166.09866	3.5
167.04607	6.7
167.08261	2.8
168.00653	2.9
169.01418	13.5
170.03293	1.2
171.04031	1.3
171.07703	1.3
177.03395	9.9
179.04625	17.5
180.07806	0.7
181.05035	1.7
181.06230	2.0
184.10922	1.3
185.05664	2.8
192.07808	1.8
197.05687	2.8
197.11905	0.5
198.08798	1.3
202.95573	0.5
210.08836	15.8
211.02507	0.7
213.03490	1.0
224.41943	0.5
228.09862	1.5
231.04494	1.1
235.06056	0.6
241.14449	2.3
242.07861	2.1
254.07817	27.5
272.05850	1.3
272.08871	41.6
288.06564	12.5
306.07648	100.0
403.12430	68.1
403.18259	1.0
403.20697	1.2
404.12692	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	402.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	99.8
64.71808	22.6
69.48943	98.5
69.49374	100.0
73.15606	31.8
209.67549	25.1
213.73727	24.9
388.20770	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98555	28.2
61.98827	100.0
89.15655	32.6
101.76077	28.0
103.65833	27.4
134.49475	26.7
253.47136	32.6
281.26721	30.3
310.07050	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03445	1.2
58.02971	0.8
59.01381	4.8
61.98828	1.7
67.01890	1.4
69.03448	0.5
69.61137	2.4
69.61555	1.2
71.01383	11.0
72.99303	0.8
73.02944	3.5
79.01891	1.0
83.01387	2.3
85.02954	5.3
87.00902	1.3
88.03993	0.6
89.02435	2.2
95.01388	3.1
97.02956	1.2
99.00879	1.5
101.02451	6.0
107.01386	7.2
109.02972	0.7
111.00892	3.0
113.02479	3.8
119.03507	0.7
120.57930	0.5
123.00008	0.9
123.00896	17.7
124.01702	1.0
125.02452	28.9
126.02773	1.7
135.04468	0.7
135.72160	0.6
136.93100	0.5
136.98788	1.2
137.02432	1.3
139.00383	7.0
140.01186	3.8
141.01917	2.4
150.99193	0.9
151.00385	13.5
151.03929	0.6
153.01826	0.8
161.04541	2.0
164.64758	0.5
166.99850	0.9
168.00647	4.0
169.01428	34.7
170.01788	1.9
179.03551	0.7
181.01347	0.9
211.02515	4.2
240.05287	0.7
253.03400	0.8
271.04645	4.7
275.01947	0.9
300.99869	1.9
302.00189	1.5
313.05676	3.3
325.54376	0.7
342.08047	0.7
402.10413	100.0
403.11063	9.7
413.22470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36203	16.5
55.67722	15.3
55.68031	20.6
69.83942	100.0
80.93571	17.4
94.91949	16.6
98.19964	25.8
152.02823	15.8
168.38425	17.7
210.06854	19.2
215.55504	17.7
245.36302	16.6
319.76065	18.2
358.06607	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	402.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13843	23.1
55.86840	24.2
57.42260	23.6
61.98837	38.6
69.51711	100.0
69.52122	49.6
83.20930	24.4
104.26760	23.1
144.46252	24.6
178.53947	24.6
180.19435	24.9
342.68542	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	401.1817
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
51.02540	0.4
55.01892	2.3
57.03440	2.5
58.00594	2.4
59.01379	52.9
67.01912	0.5
68.99833	0.6
69.03461	2.0
71.01381	41.2
72.01723	0.6
72.99313	2.5
73.02947	8.6
75.00861	0.5
76.41711	0.4
81.03469	1.6
82.29572	0.4
83.01394	4.6
83.05055	0.9
85.02952	16.9
87.00864	2.9
89.02444	26.4
90.02803	0.5
93.03467	1.0
95.01389	3.0
95.05054	1.2
97.02947	6.7
98.55587	0.4
99.00887	3.8
99.04520	0.4
101.02443	26.2
102.02790	0.6
105.03436	0.4
107.01388	0.6
108.02177	5.4
108.95935	0.4
109.02958	7.1
111.00947	0.4
111.04549	1.4
113.02451	15.4
119.03505	10.0
121.02920	0.5
122.03768	0.7
123.00871	0.9
123.04528	16.0
124.04795	0.9
125.02424	1.9
125.06068	0.6
131.03481	6.2
135.04495	0.4
137.02463	1.4
137.06087	3.5
137.09712	1.1
139.00398	0.6
143.03493	2.0
149.04549	0.7
149.09726	0.8
151.07669	1.0
152.01117	3.2
152.02113	0.3
153.01979	2.5
159.03000	2.1
161.04550	16.0
167.10764	0.8
169.01382	1.3
179.05618	2.5
179.10742	1.2
203.10794	1.1
206.09448	0.6
221.11818	100.0
222.12184	8.2
239.12886	1.1
269.10294	20.3
270.10703	2.3
270.13315	0.5
355.17331	0.4
383.17075	1.6
401.10739	7.8
401.18341	3.5
402.11203	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	401.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
71.01373	11.0
71.42287	1.6
73.02966	1.2
85.02956	2.7
89.02452	13.0
95.01396	1.6
101.02470	5.6
101.70271	0.9
108.02168	3.0
109.02957	2.7
113.02444	3.4
119.03517	4.4
123.81903	0.8
125.02438	2.0
143.03572	1.0
146.03732	18.0
147.04037	1.4
152.01126	1.9
153.01956	1.3
161.04839	1.1
161.06079	5.6
162.03249	1.7
164.04810	12.3
169.01407	3.1
177.05687	1.1
179.07129	48.4
180.07475	3.5
211.02467	2.6
232.40068	0.9
260.62949	0.8
266.69235	1.1
271.04657	4.6
301.00021	0.9
401.10745	9.5
402.11209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
59.01110	0.9
59.01381	13.9
61.98821	0.9
69.03463	0.8
71.01389	7.0
73.02952	2.4
83.05024	0.8
84.23795	0.7
85.02945	2.8
89.02447	5.7
91.03998	1.5
95.01393	1.0
97.06554	1.4
98.20656	1.9
101.02457	4.2
108.02172	2.1
113.02466	4.2
119.03454	1.0
125.02475	0.7
131.03490	2.2
153.12839	8.9
161.04559	0.9
167.10805	1.6
169.01448	0.8
171.10226	1.7
177.12823	6.2
179.10773	3.2
190.14442	0.7
191.05573	0.8
191.10786	2.2
191.66409	0.7
195.13893	100.0
196.14203	7.3
197.11803	8.8
198.12294	1.0
203.10875	0.9
211.13423	1.4
215.27396	0.7
219.13919	1.5
221.11923	1.5
227.64763	0.7
229.14487	1.0
234.19156	0.7
239.12875	79.1
240.13158	7.0
263.12872	3.1
281.14050	1.9
324.85217	0.7
327.21768	5.9
401.08881	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	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	8.6
57.03438	5.5
58.00576	2.0
59.01379	46.4
60.01706	1.7
68.37242	1.2
69.03438	2.3
71.01382	89.3
72.99303	3.4
73.02946	38.6
75.00912	1.5
81.03474	1.1
81.32870	1.2
83.01382	15.3
85.02950	46.0
86.00072	1.2
87.00879	3.7
87.34633	1.2
89.02443	20.4
95.01383	7.9
97.02932	6.2
98.19894	3.3
99.00890	18.3
99.04532	1.3
101.02439	82.3
107.05029	1.6
111.00889	2.4
113.02444	37.6
114.02766	1.6
115.03999	4.4
125.02439	8.0
131.03520	4.7
143.03503	4.3
149.04564	2.0
159.02983	8.1
161.04553	55.2
161.05908	2.7
191.05634	2.7
192.91129	1.1
202.03720	1.4
221.08147	2.1
233.06664	9.4
269.10294	100.0
270.10590	8.8
293.08746	3.1
401.14511	96.5
402.14807	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	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09975	0.6
55.01895	0.8
57.03475	0.9
58.34777	0.7
59.01377	6.2
67.01893	0.9
69.03455	1.3
71.01376	4.6
73.02939	2.0
79.01868	1.0
83.01398	2.2
85.02954	3.6
89.02460	1.1
95.01396	2.6
97.02952	1.6
99.00867	3.8
101.02456	3.5
107.01412	3.4
111.00879	3.3
113.02454	2.6
123.00893	12.0
124.01664	25.7
125.02454	14.6
126.02769	0.9
127.00384	1.7
134.03802	0.9
136.98822	1.7
139.00404	6.2
139.04016	78.8
140.01163	4.5
140.04347	3.6
141.01927	2.1
151.00371	9.4
152.01115	2.7
161.02483	1.0
161.04652	1.0
162.03241	2.5
163.03981	0.8
168.00671	5.0
169.01422	17.0
170.01633	0.8
177.05521	4.1
180.04288	4.8
195.06653	8.4
211.02487	4.3
228.04161	0.7
239.05602	40.5
239.09126	5.7
240.06047	3.8
269.08331	0.8
271.04602	1.4
301.09265	1.1
326.19498	0.8
351.73840	0.8
401.14539	100.0
402.14902	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	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92465	0.6
55.01848	1.0
55.22249	0.7
57.03447	1.8
59.01379	29.0
61.98836	1.0
68.99788	0.8
69.03439	1.0
69.64529	4.4
71.01385	21.2
72.99326	1.4
73.02952	11.2
76.60135	0.9
81.03454	3.5
83.01395	1.5
83.05035	0.8
85.02949	10.2
87.00861	1.2
89.02444	16.4
93.03444	1.5
95.01408	3.7
97.02950	3.7
101.02426	10.1
103.04008	5.5
107.01382	1.0
108.02174	81.0
109.02965	58.7
109.04053	1.0
110.03278	2.5
111.04499	0.9
113.02454	6.0
119.03498	6.0
121.02958	1.2
123.00895	3.2
123.04523	10.9
125.02453	2.8
125.95061	0.8
131.03401	1.1
137.06050	2.4
143.03477	1.1
151.04095	1.0
152.01149	62.3
153.01949	25.3
154.02205	0.9
161.04591	3.9
163.03969	1.3
165.02007	1.8
169.01402	2.2
179.05649	0.8
182.29868	0.8
203.16301	0.7
221.11819	64.8
222.12186	4.6
239.12880	1.0
269.10208	2.1
297.06201	1.6
315.07193	1.3
371.09726	2.6
383.09793	5.1
383.17081	0.9
401.10855	100.0
402.11273	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	401.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.7
57.03455	5.4
58.00581	3.0
59.01379	57.5
64.86497	0.7
67.01904	0.9
69.03434	1.3
71.01380	90.5
71.51569	0.9
72.01711	1.3
72.99300	3.8
73.02946	33.8
75.00865	1.7
80.74563	0.7
81.03434	1.2
83.01387	15.7
85.02950	45.6
86.00095	1.0
86.03271	1.2
87.00883	3.8
89.02447	13.0
95.01397	6.1
97.02934	4.3
99.00877	15.1
101.02443	77.4
102.02785	2.1
107.04977	1.0
108.02184	1.0
109.02950	1.5
111.00878	1.6
113.02451	36.7
114.02786	1.4
119.03512	2.1
123.00896	0.7
123.04513	1.1
125.02449	5.0
129.01894	1.8
131.03496	24.8
132.03807	1.0
137.02399	0.8
143.03506	6.3
151.00443	1.1
153.01888	0.9
159.02988	9.6
161.04550	69.0
162.04872	1.8
169.01372	2.0
183.11148	0.7
205.03511	2.1
221.11807	14.7
222.12206	1.0
222.24202	0.8
239.09172	0.9
249.39844	0.8
269.10294	100.0
270.10632	10.0
306.03552	0.7
401.10367	4.4
401.18579	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06219	2.2
59.01362	4.5
61.98854	1.7
68.99805	2.2
69.68417	9.7
70.48280	2.0
71.01360	4.7
72.35492	1.7
73.02955	7.2
85.02953	6.1
87.00874	70.9
98.19906	3.8
99.00848	2.2
101.02418	5.3
108.02106	2.4
109.02976	3.1
113.02465	4.4
121.02962	2.7
123.00873	7.4
125.02445	3.7
131.03558	2.8
135.04526	4.0
142.65668	1.8
144.46040	1.7
145.02892	1.9
146.52951	1.5
149.02429	4.4
151.00360	5.3
152.01123	2.0
153.05536	1.9
161.02426	8.5
163.03996	20.3
164.04770	16.8
165.05502	4.9
166.02750	9.7
167.32011	2.1
169.01491	4.7
173.02423	3.5
175.04004	4.4
176.01166	2.8
176.04720	10.7
177.01927	6.4
178.06334	23.3
179.03542	10.4
179.07124	33.5
180.07430	1.7
181.05103	8.9
187.03995	3.3
190.02763	2.3
191.03479	24.6
191.07129	9.8
192.04207	4.3
193.05055	10.7
193.08633	3.4
194.05826	9.7
201.01895	3.4
202.06693	1.7
203.03450	9.3
204.04158	3.6
205.01422	2.8
205.05078	10.9
206.05878	8.6
207.03069	2.4
207.06541	4.6
208.07292	3.4
209.08214	12.2
209.09976	2.5
219.02954	5.4
220.03706	3.0
221.04587	9.4
221.08186	9.4
231.02963	4.1
234.05287	5.0
235.05952	3.1
236.06966	3.1
237.07610	4.3
238.04836	3.4
245.04471	2.1
247.02438	10.7
247.06128	4.8
249.07642	8.4
250.04726	3.2
251.09245	4.4
261.07767	1.8
262.04776	9.8
263.05402	2.2
265.07150	67.7
265.09891	4.0
266.07452	5.7
275.01883	2.2
277.07147	34.8
278.07446	4.7
279.08862	1.9
295.08200	90.1
296.08545	7.1
300.99878	7.4
325.09271	3.2
337.09348	3.5
355.10315	21.2
356.10477	2.5
383.09787	8.1
401.10858	100.0
402.11176	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	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34814	0.6
55.01879	1.3
57.03427	2.0
59.01377	23.3
61.98827	12.3
67.01907	0.8
69.03436	0.8
70.04285	0.7
71.01382	19.8
71.51530	0.7
72.99294	1.8
73.02936	7.9
74.99106	0.8
75.00849	1.1
76.76471	0.6
79.01897	1.0
81.03480	0.6
83.01380	2.9
85.02945	10.9
87.00871	2.1
89.02447	11.8
93.03430	1.6
95.01408	5.1
96.95975	0.8
97.02945	1.9
97.58960	0.7
99.00851	1.7
101.02441	12.7
103.04018	4.1
107.01378	2.6
107.05051	0.8
108.02174	47.3
109.02959	35.3
111.00871	2.6
113.02455	6.4
119.03508	4.6
121.02961	1.1
123.00870	11.5
123.04503	2.3
124.01582	0.8
125.02453	12.5
128.03517	1.0
135.00888	1.2
135.04497	0.8
136.98796	0.8
137.02432	1.8
139.00394	4.1
140.01094	2.2
143.03568	0.7
146.03700	0.9
151.00351	7.7
151.04012	1.3
152.01152	45.2
153.01941	18.0
154.02271	0.9
161.04552	3.3
163.03967	1.4
165.01945	0.9
168.00595	3.2
169.01421	15.1
177.05452	0.7
177.57483	0.8
179.07071	2.2
195.10350	0.9
195.13974	0.9
213.92583	0.7
214.96219	0.6
219.30386	0.7
221.08165	1.1
221.11818	5.1
222.12054	0.8
239.09010	0.9
277.71771	0.7
297.06021	1.0
313.05594	1.2
364.28116	0.8
383.09808	3.1
401.10843	100.0
401.18137	4.7
402.11182	12.7
402.16675	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	401.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57203	1.1
59.01373	16.7
61.98834	2.7
68.99857	1.1
69.03452	2.1
71.01385	8.6
71.50636	1.0
73.02943	4.2
73.41242	1.1
81.03457	1.3
85.02958	6.5
87.00888	2.8
89.02434	5.4
95.01367	2.5
101.02440	4.7
108.02173	100.0
109.02965	45.5
110.03265	1.6
113.02453	3.6
121.02924	3.8
123.00875	5.6
123.04481	2.3
125.02432	5.6
127.66504	1.1
137.02409	2.0
139.00398	1.5
151.04059	1.6
152.01146	69.8
153.01936	24.2
154.02180	1.1
161.04500	2.3
163.04002	2.3
164.04753	1.6
165.01917	1.7
169.01419	9.0
176.69530	1.1
177.01865	1.9
179.05690	1.9
179.07016	5.7
181.05057	1.6
195.03027	1.4
226.18518	1.2
300.99789	4.9
341.10767	2.4
357.08261	67.8
358.08633	6.3
401.10812	27.0
401.15570	2.1
401.19653	1.5
402.11053	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	399.2026
Annotation	Cinncassiol B
Peak:m/z	Relative Intensity
55.01881	4.3
57.03446	2.4
58.00612	1.7
59.01382	49.5
69.40703	5.5
71.01380	37.4
72.99314	2.6
73.02946	6.6
79.53133	0.8
83.01383	7.2
85.02953	14.4
86.03296	0.9
87.00907	1.6
89.02444	22.7
92.27155	0.8
95.01389	2.8
98.06319	0.9
99.00874	3.0
101.02443	29.5
102.02745	0.9
103.42369	0.7
113.02455	15.8
119.03492	9.0
125.02468	0.9
131.80792	0.8
143.03429	1.1
149.02423	3.6
161.04594	0.8
163.14928	1.8
169.01450	0.9
170.94753	1.0
193.83873	0.8
201.87946	0.8
207.13940	0.9
237.14926	3.2
260.71487	0.9
327.01456	1.7
355.04523	2.8
355.08527	1.4
399.07217	3.1
399.20224	100.0
400.20587	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	399.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02696	0.6
51.82947	0.6
57.03444	2.8
57.50119	0.7
57.71641	0.7
59.01381	4.4
61.98833	0.8
69.52863	4.3
71.01387	6.3
72.99318	0.8
73.02960	0.9
75.00875	0.7
83.01369	1.6
85.02946	15.5
89.02450	1.3
93.03465	1.1
93.04065	0.6
95.01408	0.9
96.96019	1.8
101.02448	3.8
111.00867	5.6
113.02457	1.8
117.03458	4.6
119.03632	0.8
119.05025	10.5
121.02958	3.3
125.02451	1.5
129.01945	5.0
133.06566	0.6
134.03763	1.8
137.02368	1.0
137.09715	2.8
145.02950	18.8
146.03220	1.0
149.09750	7.9
157.06606	1.4
160.49101	0.6
163.04012	14.9
164.04358	0.9
169.01439	1.5
175.07640	27.7
176.07971	2.0
193.05032	2.3
193.08690	100.0
194.09023	6.7
205.03474	5.3
205.07710	0.6
206.94691	0.7
219.06699	0.9
223.04579	15.4
237.07686	41.7
238.08067	4.2
261.52658	0.7
291.61740	0.8
355.13956	1.4
399.12927	31.0
400.13290	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	400.1402
Annotation	Clivacetine
Peak:m/z	Relative Intensity
59.01370	2.1
69.52808	3.1
71.01372	0.6
72.00908	2.9
74.02473	24.6
93.03454	5.4
98.20708	0.6
101.02435	0.5
106.04268	1.9
107.05038	2.5
119.05031	28.8
120.05357	1.8
121.02957	1.6
121.06585	1.1
131.03757	1.4
131.05023	3.0
132.04518	0.7
133.05374	0.9
133.06596	1.9
134.06090	1.2
136.07681	0.7
144.04564	1.2
147.08167	1.6
149.09726	0.7
157.06593	5.9
161.09721	1.0
163.04013	11.4
164.04370	1.0
173.06108	0.8
174.09239	21.7
175.07645	28.0
175.09457	1.6
176.07962	1.7
177.09206	0.6
180.06665	49.8
181.07057	3.5
188.10815	3.9
192.10307	23.0
193.08746	1.3
193.10675	1.6
204.10303	0.6
206.11842	5.6
207.12334	0.7
218.08224	1.4
219.06671	4.9
232.09808	3.4
236.09384	0.8
250.10841	4.3
276.08740	0.6
276.13950	0.6
293.45447	0.5
294.15079	2.2
312.16013	6.2
338.14117	1.6
356.15027	30.0
357.15292	2.9
382.12964	1.1
392.37622	0.6
400.13995	100.0
401.14322	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	399.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
59.01377	6.2
69.34651	0.5
69.49396	4.1
71.01024	0.7
71.01383	8.4
72.99274	0.6
73.02940	2.7
83.01356	0.9
85.02959	3.5
86.17121	0.5
87.96387	0.5
89.02399	0.9
95.01327	0.7
95.05002	0.6
97.02966	0.6
99.00849	0.7
101.01918	0.7
101.02450	8.4
108.02178	22.3
109.02910	1.8
111.04482	0.6
113.02450	3.1
113.03089	0.5
121.02937	4.6
122.03721	3.2
123.04494	2.1
124.34812	0.5
125.02415	0.8
134.03714	1.1
135.04439	0.8
136.05234	0.6
159.02917	0.7
161.04558	5.1
165.81639	0.5
169.01401	1.1
172.41576	0.6
175.11240	2.5
177.09196	1.9
191.10724	0.9
192.11578	3.1
192.13052	0.7
193.12325	7.6
193.46294	0.6
198.46619	0.6
201.09164	2.3
219.10242	39.3
220.10674	3.0
233.08080	0.9
237.11307	100.0
238.11639	10.1
251.11343	13.2
252.11755	0.8
312.50211	0.6
382.08710	0.5
399.16690	20.5
400.16919	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.2
57.03447	19.4
59.01378	7.1
61.98815	1.5
67.01891	1.5
71.01378	9.2
71.51304	1.2
72.99317	1.8
73.02944	3.2
75.00886	2.6
83.01389	9.5
84.02184	2.7
84.69140	1.0
85.02952	100.0
86.03311	2.9
89.02419	1.8
100.48110	1.1
100.80168	1.0
101.02460	7.8
111.00877	28.9
112.01216	1.4
113.02450	1.7
117.03499	1.4
119.03517	1.1
121.03015	1.1
125.02442	1.8
129.01950	42.1
134.03766	12.5
152.99666	1.8
161.04565	3.4
162.03264	3.0
163.03902	1.1
169.01434	3.5
175.07468	1.2
177.05573	4.0
179.05699	1.2
187.02435	1.3
193.01491	1.1
193.05069	8.8
193.08727	1.4
205.03535	23.6
223.04587	23.1
229.01515	1.4
237.07803	1.4
263.17532	1.2
268.37958	1.1
300.99869	1.2
399.05884	1.2
399.13309	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	399.1294
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
55.01861	1.0
57.03446	0.9
58.76268	1.0
59.01367	3.4
67.01907	1.0
69.03439	1.2
69.16627	7.8
69.17038	1.9
71.01375	7.2
72.99300	1.5
73.02935	1.7
75.00872	6.0
79.01885	1.1
79.64741	1.1
85.02955	6.2
86.46851	0.9
89.02451	1.3
95.01379	1.2
96.14645	0.9
97.02975	1.2
99.00838	1.1
101.02460	4.8
107.01395	6.7
111.00801	1.1
113.02444	1.4
123.00876	9.0
124.01682	1.1
125.02446	32.7
126.02777	1.4
129.01929	2.2
136.98848	0.9
139.00389	4.9
140.01154	2.1
151.00365	5.2
159.02972	1.7
161.04514	1.2
167.47305	0.9
168.00665	2.6
169.01421	57.6
170.01799	2.7
177.04036	24.0
192.64859	1.2
195.04071	0.9
211.02496	2.5
247.06949	1.0
251.11278	1.7
329.05084	6.8
399.12936	100.0
400.13351	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	399.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.9
57.03445	15.5
59.01373	2.7
60.32248	1.1
61.98824	6.1
62.01982	1.1
64.76424	1.1
69.39488	8.9
71.01375	6.4
72.99313	2.9
73.02935	2.6
75.00881	2.3
83.01384	9.5
84.02177	1.9
85.02950	100.0
86.03276	2.5
90.05801	1.0
99.00877	1.9
101.02436	4.9
111.00890	29.4
113.88903	1.1
125.02428	2.9
129.01944	42.6
134.03735	9.1
149.06056	1.3
161.04536	2.6
175.03897	1.4
177.01920	2.2
177.05452	1.2
193.05032	7.8
205.03516	24.1
223.02557	1.5
223.04593	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	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.3
57.03446	15.3
59.01389	11.2
61.98829	75.9
62.79123	1.2
65.84306	1.2
68.99802	1.6
69.08932	1.1
71.01380	12.9
71.50994	1.6
72.99294	1.3
73.02950	3.7
75.00872	4.3
83.01385	8.8
84.02126	2.1
85.02949	92.6
85.14774	1.3
85.87839	1.2
86.03288	1.5
87.00883	3.5
89.02438	4.7
95.17516	1.1
99.00848	1.5
101.02419	10.0
111.00885	36.9
115.00374	2.0
119.03490	2.9
123.00912	1.3
125.02412	4.5
129.01952	39.6
134.03737	14.1
147.02969	2.1
148.14154	1.2
149.06035	3.4
161.02451	3.4
161.04561	3.5
169.01364	3.5
175.02515	1.6
175.11252	1.8
177.01927	2.8
177.05579	1.7
186.10345	1.5
187.02428	1.9
193.05092	4.0
201.09164	2.1
205.01643	2.3
205.03516	34.2
219.10138	2.6
223.04578	100.0
224.04930	3.7
233.04582	3.1
236.60968	1.3
277.03513	6.8
319.04684	3.1
390.22308	1.3
399.16864	1.9
400.04944	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	399.093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99356	1.5
55.01868	4.7
55.85544	1.5
57.03446	17.3
59.01379	14.4
62.15299	1.5
69.03447	1.7
70.28477	4.9
71.01381	22.2
72.99297	3.3
73.02935	4.9
75.00853	2.3
78.86904	1.6
83.01383	8.3
84.02181	2.2
85.02950	92.0
86.03282	2.9
87.00848	2.5
89.02437	6.6
93.03453	1.6
95.01321	1.8
96.95997	5.7
98.19927	1.9
101.02441	18.5
111.00168	2.7
111.00888	36.4
113.02460	3.5
117.03461	20.2
119.03596	1.8
119.05028	49.3
120.05314	2.5
121.48711	1.6
125.02405	4.3
128.91389	1.7
129.01947	33.0
130.02316	2.4
134.03755	12.6
137.09720	7.6
145.02953	79.7
146.03300	4.4
147.02998	2.2
161.04568	5.1
163.04012	66.8
164.04309	4.2
169.01376	5.9
175.07588	4.3
187.02551	1.9
190.55740	1.8
193.05005	5.1
193.08672	18.2
194.09073	1.7
194.94380	1.6
205.03539	33.9
219.06569	3.1
223.04581	100.0
224.04942	4.2
236.85484	1.6
237.07657	12.9
238.07977	1.6
276.57703	1.8
399.07950	2.8
399.12930	47.6
400.13187	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	398.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05038	5.3
57.14067	6.1
58.49845	5.9
61.98831	100.0
71.43136	6.2
72.70150	6.4
80.96497	6.9
96.96029	17.3
117.77678	5.8
122.03772	7.6
123.04127	5.4
342.25241	14.3
360.26260	75.7
361.26578	7.8
398.23294	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	399.072
Annotation	Paeciloquinone B
Peak:m/z	Relative Intensity
59.01378	0.8
59.17813	0.5
69.14544	1.1
69.14945	4.5
71.01389	1.3
73.27460	0.5
86.89927	0.6
94.52563	0.6
106.14487	0.6
113.02510	0.5
113.65562	0.5
145.07849	0.5
174.03210	0.6
177.01897	1.5
189.01897	1.2
190.02730	2.3
193.01408	3.4
197.91272	0.6
200.01045	0.6
202.02730	1.4
203.03427	1.2
211.04010	0.8
213.01865	0.7
214.02644	1.1
216.04161	0.5
217.01387	0.6
218.02179	1.7
221.00932	5.4
222.01428	0.7
222.83601	0.5
224.04753	0.6
227.03505	1.6
228.00693	1.4
229.01384	1.3
230.02119	1.2
231.02835	0.8
237.05583	0.7
240.04158	0.9
241.05049	1.4
242.02147	2.1
243.03142	1.1
245.01027	1.6
249.05507	0.6
251.03410	0.8
252.04202	0.6
253.05034	1.1
253.08786	0.8
254.02216	0.8
255.02856	1.2
256.03726	0.7
257.00983	2.7
258.01688	1.8
259.02335	1.4
267.02954	0.8
267.06433	0.6
268.03659	0.6
269.00705	0.7
271.02493	1.1
271.09772	0.7
273.00366	2.7
274.01184	28.4
275.01468	1.8
279.02960	2.0
280.03784	1.3
281.04660	1.6
281.08133	1.4
282.01682	0.6
283.02472	2.3
284.03229	2.2
285.00247	0.7
287.01984	1.8
288.02567	1.2
293.04672	0.9
293.07727	0.7
299.01959	4.5
299.09320	0.6
300.02625	2.5
308.03220	1.5
309.04214	1.1
309.07733	3.5
310.08069	0.6
311.02078	0.6
311.09155	0.9
312.02859	2.1
323.05640	1.2
325.03482	2.6
326.04272	1.6
327.08493	0.8
337.07275	4.2
338.07706	1.3
340.05887	0.8
355.08206	100.0
356.08554	12.3
399.07224	8.1
400.07419	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2745
Annotation	Phyllofolactone D
Peak:m/z	Relative Intensity
50.38412	0.2
53.19134	0.2
55.54238	0.2
59.01371	0.4
63.33982	0.2
65.81161	0.2
69.76405	0.8
71.01368	0.3
73.62109	0.2
80.02682	0.2
81.03446	0.7
83.04947	0.2
93.45897	0.2
96.95992	0.8
100.11872	0.2
101.45579	0.2
108.02176	18.3
109.02490	0.6
115.08703	0.2
119.04966	0.3
121.02950	0.8
122.03741	15.3
123.04057	0.4
124.01673	1.0
127.32120	0.2
135.04541	1.6
136.01669	1.9
138.64857	0.2
141.01982	0.2
149.06073	0.3
219.13873	0.3
223.75003	0.2
233.15503	0.2
247.17072	0.4
255.13264	0.2
273.22049	0.4
285.22452	0.4
287.23962	0.2
315.23077	0.3
341.28326	1.0
342.28308	0.2
361.27438	0.2
369.28061	1.3
370.28528	0.3
375.19467	0.3
379.26379	0.7
392.49307	0.2
397.27448	100.0
398.27783	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	398.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	16.8
61.98829	100.0
62.74289	6.4
71.50079	7.8
78.26949	7.0
96.96013	28.9
127.33199	6.7
157.18967	8.1
165.13857	7.8
355.26483	22.1
398.23450	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01381	9.5
65.18073	1.3
71.01380	7.8
79.95734	13.6
80.96528	2.9
87.00887	2.4
89.02428	7.0
94.98070	1.6
95.95208	2.7
96.96011	83.6
98.19868	3.1
101.02436	5.9
113.02435	2.5
119.03476	1.6
122.03752	13.6
122.97577	5.1
125.02394	2.0
134.67053	1.7
135.04503	2.6
136.01694	2.1
153.93163	1.7
182.87437	1.4
208.96158	1.4
235.08264	2.0
235.56598	1.6
275.20108	13.8
276.19861	1.6
295.35312	1.7
320.01151	1.4
323.22125	1.4
343.26587	3.3
359.25732	1.7
361.27451	89.1
362.27844	13.1
397.13580	6.0
397.22650	100.0
398.22818	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	397.2744
Annotation	Phyllofolactone D
Peak:m/z	Relative Intensity
54.07525	0.3
63.90827	0.3
67.32980	0.3
82.70906	0.3
83.63129	0.3
87.75368	0.3
96.96012	0.9
98.20675	0.5
121.02971	0.4
122.03727	1.0
135.04507	1.1
137.02419	0.5
149.06055	0.6
150.06860	2.0
156.69061	0.3
164.04771	0.5
177.05536	0.8
177.53749	0.2
178.06345	24.7
179.06694	1.5
191.07133	30.6
192.07651	2.9
202.10075	0.3
203.10805	0.5
205.08691	7.9
206.08971	0.4
210.05330	11.0
211.05638	0.7
219.10208	0.9
233.11804	5.0
234.12267	0.4
247.13336	3.4
259.17047	0.4
261.14847	2.2
275.16422	1.4
289.18115	0.3
329.21188	0.5
342.21887	0.8
353.21149	0.7
367.22839	1.2
381.24368	1.1
395.25900	1.5
396.26358	0.3
397.27432	100.0
398.27780	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	397.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.6
57.03450	3.5
57.82245	2.3
58.00590	5.1
59.01382	100.0
69.03449	7.3
71.01382	95.0
72.99309	9.3
73.02946	16.3
74.61646	2.0
81.03465	5.5
83.01390	13.8
85.02959	23.0
87.00877	19.9
89.02449	80.2
93.65637	2.0
95.01398	7.1
96.95985	2.5
97.02962	20.6
99.00903	4.8
99.04545	2.4
101.02451	76.8
111.04499	2.5
113.02457	32.1
119.03511	27.8
121.02978	3.9
125.02452	20.3
131.03476	5.0
133.05070	6.1
139.04019	2.6
141.02020	2.7
143.03491	11.5
161.04562	14.6
169.05051	3.0
179.05545	6.3
217.07095	3.6
221.06697	3.8
235.08249	23.3
253.09016	2.5
263.07520	2.5
277.09204	2.8
287.07666	2.7
397.13550	72.0
398.13785	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	397.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.7
59.01383	3.8
67.01907	1.0
69.03456	100.0
70.03780	2.1
71.01383	7.4
72.99310	1.9
73.02944	0.9
74.92050	0.7
76.77227	0.6
78.95902	3.2
79.01887	5.4
85.02950	6.1
87.00859	0.7
89.02461	2.7
93.03467	2.6
95.01399	3.7
97.02950	17.2
98.03332	0.9
99.00884	25.4
100.01239	1.0
101.02457	2.6
113.02463	3.4
117.35238	0.6
123.00916	1.8
125.02464	1.1
141.01933	10.4
151.02458	0.6
152.99586	5.2
158.11971	0.7
161.04550	0.8
169.01453	1.2
170.45311	0.7
185.00908	52.8
186.01262	2.7
191.05608	24.9
192.06053	1.5
211.13358	1.5
214.82100	0.7
216.77592	0.6
236.88194	0.6
300.74493	0.7
324.99780	0.7
365.13580	0.7
397.05893	1.1
397.15018	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	397.0564
Annotation	Arteminorin C
Peak:m/z	Relative Intensity
59.01371	4.9
59.53092	0.9
71.01383	4.7
71.51906	1.0
83.01389	1.2
85.02962	1.9
87.00885	1.1
89.02441	3.0
100.02768	0.7
101.02435	3.3
113.02437	1.8
119.03486	1.3
125.02445	1.4
146.02933	0.8
159.15166	0.8
160.01581	0.8
161.04529	1.4
163.00272	0.9
172.01596	1.4
187.00340	2.3
199.00383	1.9
200.01108	1.1
214.99866	5.4
216.00566	3.5
226.99821	1.2
235.13527	1.1
242.99327	22.1
243.99789	3.0
245.91660	0.9
247.02434	0.9
250.93797	0.8
270.98834	77.3
271.99225	7.4
279.07138	0.9
283.99319	1.3
298.94794	1.0
298.98325	60.5
299.99075	82.5
300.99438	7.7
314.68811	0.8
325.03696	2.0
369.06754	1.0
397.05630	100.0
397.13885	2.8
397.22437	1.9
398.05960	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	396.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85434	8.4
59.01382	30.6
61.26103	7.2
61.98822	100.0
68.99579	10.9
71.01377	26.0
79.82925	8.4
86.29099	8.4
89.02465	14.2
101.02411	11.1
110.40137	9.8
119.03477	8.9
142.74841	8.0
144.94882	7.3
158.94966	8.4
183.01224	22.3
311.16849	83.0
348.04636	8.4
397.13531	8.8
397.23593	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	396.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05274	8.6
58.21440	7.0
59.01379	12.6
61.98828	100.0
65.22923	7.9
68.84374	9.7
68.99552	11.8
71.01385	24.5
71.50216	10.2
73.02969	8.5
84.57959	8.5
89.02413	8.3
90.28519	8.7
101.02462	13.3
103.41001	9.2
107.95779	8.4
113.02425	9.0
122.03671	8.7
123.03964	9.0
142.86165	9.8
228.42889	9.9
311.16940	28.6
353.24890	27.7
358.24698	34.9
397.13409	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	395.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56909	2.2
59.49628	2.1
64.09283	2.2
67.63234	2.5
81.87896	2.3
87.02233	2.2
98.19745	4.8
99.47972	2.9
107.81548	2.5
115.55984	2.3
122.03728	16.1
135.04536	8.1
136.01617	3.9
212.84474	2.4
275.20078	9.3
301.21707	12.1
302.22070	2.9
341.24911	14.7
359.25906	100.0
360.26248	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	395.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99974	1.6
69.53255	12.4
108.02180	3.9
120.24123	1.6
122.03751	10.6
124.01699	2.1
129.40054	1.8
135.04529	6.8
275.20203	3.3
277.21689	2.9
345.23990	2.2
357.24365	2.3
359.25903	100.0
360.26282	19.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22162	6.5
54.18744	7.1
66.92034	6.4
71.50447	9.0
77.47040	6.0
103.13491	6.9
104.73339	7.0
122.03756	24.0
135.04544	15.4
287.20117	7.1
297.34030	6.7
315.23483	8.1
341.24457	10.9
359.25839	100.0
360.25897	9.1
395.25500	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	395.192
Annotation	Creoside IV
Peak:m/z	Relative Intensity
50.78163	0.7
55.01878	5.5
57.03455	4.3
58.00593	1.2
59.01382	40.2
69.03448	1.7
70.99928	2.0
71.01382	49.4
72.99290	3.1
73.02948	33.8
75.00868	1.9
75.89257	0.8
83.01385	13.9
85.02952	30.5
86.00109	1.4
87.00880	3.9
89.02447	12.2
95.01379	3.1
97.02959	3.3
99.00881	12.1
99.08131	1.0
101.02444	62.5
102.02780	1.7
111.00865	1.7
113.02451	22.7
114.02818	1.1
115.04012	2.1
123.15781	0.9
125.02417	3.9
129.01945	1.6
131.03485	3.5
141.01930	0.8
143.03473	3.6
149.04523	1.8
151.33730	0.9
159.03008	4.0
161.04555	18.3
162.04892	0.8
233.06589	2.1
263.14984	100.0
264.15359	7.5
293.28372	0.8
335.64957	0.8
357.67569	0.8
395.19202	75.3
396.19525	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	395.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.8
57.03448	3.8
58.00581	1.9
59.01379	35.7
60.01713	0.5
61.98827	0.5
69.03428	1.2
71.01381	59.4
72.01711	0.8
72.99304	2.9
73.02945	29.2
75.00864	1.2
81.03431	1.0
83.01385	13.3
83.01884	0.7
85.02949	30.4
86.00106	2.3
87.00874	3.3
89.01942	0.8
89.02448	10.5
95.01373	4.2
97.02939	3.0
98.19778	1.2
99.00877	12.5
99.08121	1.1
101.02442	60.6
101.09699	0.7
102.02769	1.4
105.85351	0.5
111.00876	1.6
113.02449	20.8
114.02776	0.5
115.03986	2.1
120.39503	0.5
125.02464	3.9
129.01926	1.4
131.03494	4.0
143.03499	2.9
149.04530	1.3
159.03012	4.4
161.04550	19.9
171.10286	1.1
187.22090	0.5
230.37993	0.6
233.06630	2.3
263.14972	100.0
264.15323	8.2
293.08701	0.9
305.16196	0.7
307.14075	0.7
386.62991	0.5
395.19196	77.5
396.19577	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	395.1
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52360	0.7
55.01862	1.2
57.03434	1.8
59.01393	3.7
61.01014	5.0
61.98826	0.8
67.51887	0.7
68.99817	1.9
70.92906	2.0
71.01387	2.4
72.99309	3.1
75.00864	2.0
75.02576	3.3
83.01376	1.9
85.01023	6.2
85.02951	1.5
87.00847	1.7
87.04523	1.6
88.03323	0.8
89.02436	1.8
96.99281	0.8
98.00121	1.3
99.00894	3.6
99.02602	0.9
101.02442	5.2
103.00359	2.1
103.05550	0.8
112.98813	6.0
113.02457	0.9
113.04140	1.4
115.00333	1.2
115.02071	4.5
124.98817	1.3
127.02062	0.8
129.01959	0.9
129.03615	0.9
131.03499	2.1
142.99901	0.8
143.01532	1.7
144.23712	0.7
145.01421	3.8
149.04509	1.3
154.99931	1.0
157.01411	2.5
157.03114	9.6
171.01025	4.4
173.01001	1.2
175.04179	9.2
186.17245	0.8
186.71947	0.7
187.02518	1.6
189.05788	5.1
191.05637	0.8
202.12625	0.8
217.05209	5.1
229.82814	0.8
233.10460	0.8
247.02646	4.3
247.06361	0.9
259.06366	1.1
263.05774	12.6
303.05261	2.1
363.07199	2.1
395.10013	100.0
396.10498	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	393.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02001	63.6
53.09774	55.0
60.04803	49.7
71.50177	100.0
73.59797	56.2
79.08157	56.1
93.43466	56.8
158.85283	60.2
177.08998	53.9
230.34837	61.0
238.02338	64.1
253.23749	60.0
295.64084	54.8
312.89746	66.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.0
61.98824	19.1
69.07385	4.1
69.44031	28.8
71.01390	7.6
84.26741	4.0
89.02460	7.1
101.02458	7.2
113.70152	3.7
123.00890	11.3
125.02446	19.9
131.07344	3.9
151.00371	14.1
164.88666	3.8
169.01457	40.2
211.02504	9.6
271.04678	8.9
331.06689	100.0
332.06885	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	394.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.0
61.98830	100.0
69.64906	7.8
125.02444	39.1
144.27899	1.4
154.31448	1.3
169.01422	98.8
170.01723	4.6
231.02956	1.7
247.02460	1.5
257.48450	1.5
275.01974	2.6
300.99948	5.6
331.06702	23.8
332.07355	1.7
378.04120	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	392.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31801	0.4
59.01381	5.5
60.01717	0.4
61.98828	100.0
67.34972	0.3
68.93768	0.3
69.73862	1.5
69.74268	0.9
71.01377	0.9
73.02948	0.5
83.01388	0.7
85.02941	0.4
87.00890	0.7
89.02446	0.6
95.01413	0.5
97.02990	0.4
98.20732	0.4
101.02441	0.5
107.01377	2.6
113.02401	0.5
123.00866	1.9
123.04514	0.9
125.02445	9.2
139.00401	0.6
140.01190	0.5
155.35457	0.4
166.99966	0.6
167.03494	5.3
169.01427	13.4
184.24234	0.4
195.05008	0.4
211.02475	0.4
241.03523	2.1
275.01947	0.6
295.04486	0.4
300.99933	2.0
302.00272	0.5
313.05768	0.5
316.03296	1.9
317.03973	2.8
329.08795	0.9
392.03922	0.9
393.04404	0.5
393.17706	1.0
397.11102	0.4
400.40921	0.4
409.79016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06210	4.2
59.01386	22.3
61.98540	6.0
61.98833	100.0
107.01375	6.4
109.90290	3.6
118.88880	3.6
125.02428	12.6
152.16376	4.1
161.90752	4.6
169.01418	14.3
327.57233	4.6
387.50516	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	393.2649
Annotation	Tylactone
Peak:m/z	Relative Intensity
59.01379	1.5
61.98819	1.8
71.01357	0.5
81.03445	0.7
97.06555	0.6
99.08173	3.5
108.02210	5.8
121.02967	0.5
122.03745	20.2
123.00853	0.6
123.04624	0.5
124.01669	1.7
125.02441	2.1
127.11308	1.2
127.40712	0.5
135.04543	4.1
136.01677	3.9
137.02429	0.6
139.11295	6.2
144.82341	0.4
149.06042	0.7
150.16264	0.5
164.55803	0.4
169.01494	2.5
191.10768	0.5
207.14006	0.6
220.50699	0.5
232.05537	0.5
235.13399	28.8
236.13808	2.8
237.23903	0.5
245.15546	0.6
247.14485	0.8
247.17049	11.6
248.17326	1.1
249.14816	0.8
254.95047	0.5
261.14966	0.7
263.16458	4.0
264.16895	0.6
265.14395	1.4
265.17963	0.6
273.14990	3.8
274.15399	0.7
275.16537	21.3
276.16873	2.3
277.14468	0.5
291.16068	0.7
293.17612	15.0
294.17975	1.7
317.04144	1.2
357.24335	1.5
375.25323	1.4
393.26474	100.0
394.26819	14.6
407.69077	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.5
59.01380	5.8
60.62259	0.5
61.98840	0.6
69.03471	1.3
71.01357	0.7
71.05027	0.6
72.12064	0.6
79.95728	0.7
81.03456	0.9
83.05014	3.7
85.02945	4.4
93.09247	0.5
96.96018	1.3
97.02957	2.0
97.06560	2.9
98.20747	1.3
108.02182	7.3
109.06578	1.5
122.03744	29.1
123.00847	0.9
123.04000	0.8
124.01655	2.4
135.04538	7.0
136.01659	5.8
137.09692	1.8
149.06076	1.4
166.37817	0.5
191.10719	0.9
193.71602	0.5
195.55782	0.5
205.12318	1.0
219.13985	0.6
233.15456	0.8
235.13388	22.8
236.13745	2.4
245.15349	1.0
247.17029	12.6
248.17287	1.0
249.14931	2.2
257.15454	0.9
261.14902	1.2
263.16476	9.1
265.14517	0.9
273.14935	4.1
273.17752	1.0
275.16522	19.8
276.16818	2.1
285.14941	2.6
291.16122	0.7
293.17575	11.8
294.18015	1.0
301.21704	2.5
303.16031	2.4
304.16742	1.0
313.17679	0.8
317.21402	1.1
319.22650	0.7
329.21146	6.2
347.22171	3.1
355.22766	4.3
356.23090	0.6
373.23740	3.6
374.23923	0.8
382.23306	0.5
391.24890	100.0
392.25275	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90029	1.1
57.03452	1.6
59.01382	100.0
69.16953	11.8
69.17336	2.1
71.01383	9.9
73.02948	34.4
85.02968	4.9
89.02453	8.2
98.19935	2.9
101.02432	8.7
110.53584	1.1
113.02457	5.6
119.03478	2.3
125.02460	2.1
161.04538	3.8
179.05696	1.6
317.15924	1.5
331.17609	2.1
354.21210	1.1
370.34766	1.4
391.19684	31.1
391.24576	1.9
392.20081	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	391.2489
Annotation	Xenimanadin C
Peak:m/z	Relative Intensity
51.55250	0.4
57.03442	1.9
59.01377	3.9
61.98818	0.8
69.03462	2.4
71.01389	0.5
81.03452	3.9
83.05022	11.7
85.02131	0.4
85.02953	5.8
95.01387	0.4
95.05068	0.6
95.28355	0.4
96.96018	0.5
97.02943	2.3
97.06585	3.1
108.02177	7.7
109.06596	1.4
121.02956	0.9
122.03736	25.5
123.00922	0.7
123.04059	0.7
123.04578	0.6
124.01683	1.9
135.04515	6.3
136.01662	5.8
137.09724	1.5
148.05267	0.4
149.06064	0.8
155.10796	1.1
177.09230	0.4
180.13869	0.4
191.10799	0.7
205.12321	1.0
233.11830	0.6
235.13371	32.0
236.13730	2.9
245.15465	1.8
247.17032	12.3
248.17381	0.7
249.14894	2.7
257.15341	0.4
261.14951	1.6
261.83533	0.4
262.15524	0.4
263.16495	7.0
264.16919	0.7
265.14462	2.3
265.18051	0.6
265.47174	0.4
273.14957	5.1
274.15274	0.5
275.16492	22.0
276.16870	2.4
278.15677	0.4
285.14926	3.5
286.15469	0.6
291.15964	0.5
293.17575	14.1
294.18045	1.3
303.15970	2.7
304.16522	0.5
355.22693	5.9
356.23093	0.5
371.22147	0.6
373.23770	3.8
391.24939	100.0
391.29578	10.0
392.25287	14.9
392.30054	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05645	0.9
57.75568	0.9
57.85350	0.8
58.90760	0.8
59.01381	100.0
59.58135	0.8
60.01695	1.3
61.34368	1.0
62.92125	0.8
70.52420	2.6
71.01379	7.8
71.58974	0.9
73.02959	2.1
76.84007	0.8
80.12728	0.9
83.09753	1.0
85.02968	1.9
89.02449	7.1
101.02448	3.5
113.02440	3.5
115.86451	0.8
119.03507	3.3
122.26313	0.8
125.02444	1.1
137.02420	1.2
161.04558	1.1
168.43214	0.8
169.01329	2.0
179.05550	1.1
218.27248	0.9
281.06662	1.0
307.29245	0.8
316.03043	1.2
331.17581	2.5
391.19580	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11385	0.6
52.49215	0.6
57.03457	0.9
58.00599	0.7
59.01380	100.0
60.01713	1.3
61.98839	1.1
63.13912	0.5
63.96236	1.0
65.61713	0.6
69.94352	1.7
71.01384	16.2
72.99325	1.2
73.02947	13.4
83.01396	4.0
85.02950	4.0
87.00908	0.9
89.02447	10.0
93.03459	0.8
95.01381	1.2
99.00933	0.9
99.04535	0.6
101.02447	13.5
107.01422	0.9
113.02448	9.6
117.97340	0.6
119.03535	2.4
120.99725	0.9
123.00945	1.8
125.02457	3.5
131.03506	0.9
133.03006	0.9
135.04555	0.7
135.98361	2.7
143.03502	1.8
149.04591	0.7
161.04553	3.6
162.27617	0.6
166.99895	0.7
169.01407	4.2
173.04631	0.8
179.05580	1.3
187.13416	2.3
191.05605	10.7
201.64479	0.6
207.75542	0.6
207.99875	0.6
262.11206	0.5
277.93512	0.6
300.99863	1.4
316.03262	4.4
331.17728	2.2
349.18665	3.8
353.08932	1.6
391.19470	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	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01714	1.3
69.83324	2.4
71.01384	4.6
73.02970	1.1
85.02977	2.0
89.02444	5.2
98.19963	0.9
101.02446	4.2
103.77762	0.7
113.02481	1.9
119.03526	2.8
159.41609	0.6
161.04616	2.0
179.05675	2.2
248.88434	0.6
331.17719	2.3
391.19705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09728	0.4
59.01379	100.0
60.01712	1.3
69.28300	1.6
69.28726	2.0
70.24731	0.4
71.01376	3.6
72.45149	0.4
73.02945	0.9
84.77154	0.4
85.02966	1.7
87.00858	0.7
89.02436	3.8
90.80655	0.4
91.26771	0.4
92.02229	0.4
93.03468	1.0
101.02457	2.6
107.01407	0.6
113.02468	1.8
113.40979	0.4
119.03521	2.3
125.02447	2.2
135.04533	0.7
143.03497	0.6
161.04633	1.3
169.01416	2.2
173.04640	0.5
179.05598	0.8
191.05600	8.4
192.06085	0.6
275.02005	0.5
301.00034	1.8
316.03525	0.6
331.17670	1.7
353.08908	1.8
391.19952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01722	1.7
69.64054	1.5
69.64464	1.8
71.01385	3.3
71.30488	0.5
73.02954	0.8
74.21628	0.5
85.02969	1.2
87.14797	0.5
89.02456	1.7
95.01421	0.6
96.37239	0.5
101.02463	2.4
107.05006	0.5
113.02472	1.5
119.03482	0.9
119.05069	0.6
122.06115	0.7
123.00857	1.1
125.02426	1.5
135.04559	1.8
138.63319	0.5
148.03996	0.7
153.01920	0.7
159.03044	0.6
160.04066	0.8
161.04628	2.5
169.01411	1.6
178.05096	0.8
229.87469	0.5
232.03426	0.5
243.11438	0.8
250.04739	1.1
252.09050	1.4
267.11319	3.4
285.12384	2.7
294.03909	1.7
297.08627	1.0
300.99814	1.2
311.10376	0.8
316.03439	0.8
329.11349	1.5
331.17511	2.7
332.18204	0.6
353.09064	0.6
373.10303	0.9
391.11594	1.8
404.70886	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
59.01377	100.0
60.01703	1.2
60.99319	0.7
67.01872	1.1
69.03465	1.4
69.44264	4.6
69.44646	1.0
71.01379	22.3
72.01712	0.8
72.99312	1.0
73.02940	16.7
75.00872	0.8
78.82570	0.7
83.01385	4.0
85.02950	9.6
86.57396	0.6
87.00878	3.5
89.02435	9.7
92.42786	0.8
93.03450	11.4
95.01405	1.9
99.00879	1.1
101.02443	17.7
107.01395	1.2
111.04545	2.3
111.68767	0.6
113.02441	11.8
119.03510	4.3
121.48473	0.6
123.00893	1.8
125.02442	7.8
127.03982	1.2
129.01944	1.2
131.03450	1.3
133.97214	0.7
135.04524	10.7
136.04866	0.7
143.03511	1.3
149.04521	1.3
155.03491	0.8
161.02461	2.1
161.04494	4.7
169.01393	9.2
173.04514	7.3
177.29732	0.8
179.03525	3.8
179.05589	1.0
187.13483	1.6
191.05603	64.3
192.05949	5.4
193.06081	3.3
223.57481	0.6
229.10954	0.9
257.00983	0.7
275.01904	2.3
282.06839	0.8
297.08749	1.6
300.99890	4.2
316.03314	3.1
331.17596	2.3
349.18628	5.5
353.08731	18.9
354.09232	2.7
355.09448	2.4
391.06519	2.9
391.15698	1.4
391.20041	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99714	8.5
59.01376	100.0
74.66074	9.5
109.64203	9.6
314.88190	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	389.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89805	3.4
57.25107	3.2
59.01375	100.0
69.45675	3.1
80.96510	11.6
90.67042	4.3
98.19861	8.4
112.61920	3.5
112.95366	3.5
118.42367	3.7
129.91869	3.4
141.85992	3.2
187.94231	3.6
190.36574	3.6
197.11775	4.6
215.65309	4.0
255.23361	5.9
297.50394	3.7
299.04526	5.0
389.18762	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
55.74115	4.3
59.01379	41.8
61.98831	100.0
70.27878	4.5
89.02422	4.2
96.16259	4.6
122.54099	4.3
127.81878	4.1
130.28442	3.9
145.66191	3.8
195.12512	4.8
229.12204	4.2
237.15881	3.5
243.08452	5.4
357.67484	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	389.2696
Annotation	Garcinielliptone O
Peak:m/z	Relative Intensity
51.24050	0.9
57.03444	1.4
57.36063	1.0
59.01371	3.0
70.09031	1.9
70.65543	0.9
97.80862	1.0
98.20492	1.2
108.02160	5.2
111.57751	1.0
122.03729	47.8
123.04112	1.1
124.01650	3.8
135.03499	2.3
135.04529	39.6
136.01668	14.4
148.05325	1.2
149.06026	6.5
177.09201	5.5
191.10751	3.7
205.12309	2.0
219.13914	3.3
256.40433	0.9
263.32349	0.9
273.18646	1.1
275.20166	4.8
287.20255	2.9
297.18600	1.5
299.19952	2.0
301.21750	3.2
311.20215	5.1
313.18036	1.9
313.21704	37.0
314.22092	4.9
315.23239	2.9
329.21198	4.1
339.23257	37.7
339.27420	2.0
340.23560	7.6
345.24347	8.3
346.24939	1.2
355.23218	1.1
357.24323	91.2
358.24680	14.6
359.26044	1.5
371.25952	2.1
389.26965	100.0
390.27362	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	389.2696
Annotation	Garcinielliptone O
Peak:m/z	Relative Intensity
57.03418	2.2
57.43880	1.0
59.01359	2.7
70.92122	2.4
108.02166	5.9
108.82613	1.0
121.02930	1.5
122.03737	51.2
123.04651	1.4
124.01639	3.8
135.04526	37.8
136.01680	12.5
136.05208	1.8
148.05289	1.0
149.06059	4.8
177.09180	4.5
191.10727	2.6
191.71994	0.9
203.30946	1.0
205.12280	2.6
219.13818	1.2
262.66345	1.1
273.18613	2.4
275.20016	2.9
287.20108	3.0
301.21735	3.1
303.19702	2.2
311.20206	5.9
313.21729	36.6
314.22266	5.0
315.23465	1.6
329.21182	3.4
339.23291	33.3
340.23615	6.8
345.24316	3.5
357.24341	100.0
358.24689	15.7
371.25980	1.4
389.26938	80.0
390.27295	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	389.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04168	28.2
59.01370	100.0
71.01392	24.2
71.43918	25.3
71.49738	51.5
80.96527	70.0
90.86888	28.6
91.26038	26.6
107.05000	39.4
127.14022	26.6
149.83231	27.6
159.09447	37.8
216.21416	25.9
255.23209	58.0
317.24768	32.2
389.30530	79.7
390.19208	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2696
Annotation	3-Hydroxyirisquinone
Peak:m/z	Relative Intensity
58.74631	0.4
59.01373	0.8
62.64396	0.4
63.65761	0.4
69.17929	3.4
73.64849	0.4
85.56374	0.5
86.89698	0.4
95.25893	0.5
97.90119	0.4
98.19860	0.8
104.70615	0.4
108.02183	1.3
121.02984	0.7
122.03738	22.1
123.00891	0.8
123.04086	0.9
124.01662	2.8
135.04529	31.2
136.01671	7.8
136.05197	1.5
143.24330	0.4
149.06068	3.5
163.07608	0.4
177.09213	6.2
177.64143	0.5
191.10793	2.8
205.12268	3.3
219.13889	5.7
222.11476	0.4
233.15298	0.9
249.55984	0.4
273.18588	1.1
274.19382	4.8
275.20142	17.8
276.20471	1.8
287.19995	0.7
313.21738	3.4
315.23358	1.1
329.20880	0.7
339.23276	3.3
345.24231	0.6
357.24319	9.0
358.24655	1.4
359.25952	1.8
371.25958	1.3
372.26968	0.5
389.26971	100.0
390.27304	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	389.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70879	0.5
55.01881	3.8
55.35325	0.5
57.03450	3.4
58.00592	3.3
59.01379	100.0
60.01706	1.6
71.01380	71.0
72.01712	1.2
72.99297	3.7
73.02944	14.5
75.00848	0.7
75.80484	0.7
78.24095	0.5
83.01394	8.0
84.29820	0.5
85.02950	23.0
86.03292	0.6
87.00871	5.0
89.02443	57.1
90.02793	1.6
95.01395	5.1
97.02965	1.0
98.19942	1.4
99.00883	5.2
101.02441	55.1
102.02793	1.2
111.00892	1.1
113.02448	29.6
114.02766	1.1
119.03501	28.5
120.03803	0.6
125.02441	2.0
130.66202	0.5
131.03500	2.3
143.03506	5.7
149.04535	2.0
159.02988	5.0
161.04553	23.7
162.04883	0.8
162.22168	0.6
165.12804	0.7
165.54308	0.5
179.05620	6.3
209.11832	1.0
209.15485	1.5
227.16518	11.9
228.16870	0.9
248.91771	0.5
288.00101	0.6
292.67834	0.6
389.13486	1.5
389.21854	40.3
390.22128	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	389.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
55.38329	0.6
57.03436	2.7
58.00591	3.7
59.01381	100.0
59.37749	0.7
60.01726	1.1
63.57735	0.7
69.50100	4.7
71.01382	71.5
72.01723	1.8
72.99304	3.8
73.02944	9.9
77.10828	0.6
83.01382	6.5
85.02953	20.7
87.00884	3.9
87.01367	0.6
89.02446	63.4
90.02778	1.1
94.80027	0.6
95.01392	5.4
97.02953	0.8
98.20654	0.8
99.00876	4.0
101.02444	50.6
113.02453	28.9
114.02809	1.6
119.03506	28.8
120.03889	0.6
125.02497	1.5
127.43180	0.8
129.01991	1.3
129.46625	0.7
131.03535	2.6
143.03497	5.9
149.04579	2.5
159.02974	3.6
161.04556	24.0
179.05602	9.4
192.09018	0.7
209.15532	1.0
227.16501	6.9
310.27170	0.8
329.16052	0.7
389.13626	1.5
389.18094	1.1
389.21921	19.8
390.22287	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	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56879	1.0
55.77048	1.0
59.01379	100.0
61.98830	6.0
71.01386	7.1
71.51459	1.6
71.51824	1.0
73.02927	1.7
73.49755	0.9
75.72052	0.9
78.39947	0.9
83.01384	1.4
85.02949	3.3
89.02440	4.5
90.47610	0.9
101.02441	3.8
113.02424	3.4
119.03548	1.1
161.04530	2.7
167.10767	38.4
168.11130	2.5
179.05392	1.2
209.11784	2.6
389.12146	1.3
389.16382	1.4
389.21472	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	389.1817
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.46446	0.6
57.03473	0.6
59.01377	8.5
69.16443	5.6
71.01380	4.6
78.33237	0.5
85.02972	1.8
89.02438	2.9
98.65652	0.6
101.02465	1.9
107.01354	1.3
111.08192	1.4
113.02462	4.0
125.02464	2.1
143.03537	0.6
165.12837	22.7
166.13176	1.6
168.00624	1.6
169.01425	3.2
176.01039	0.8
183.13904	82.0
184.14218	5.7
195.13721	0.6
197.15465	1.5
207.13873	1.4
209.11800	2.6
225.14908	1.4
227.12883	100.0
228.13234	7.2
251.12799	3.1
269.13931	1.5
293.13895	0.8
329.15942	0.7
389.08582	0.7
389.18185	1.6
392.97897	0.5
405.93744	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
56.08221	0.5
57.03457	1.2
59.01382	100.0
60.01712	1.4
67.01894	0.9
69.03456	0.8
71.01387	20.0
71.22665	0.7
71.23016	0.4
72.99313	1.1
73.02945	8.7
75.00865	0.5
77.42859	0.4
83.01408	3.0
85.02956	9.4
86.00095	0.9
87.00897	1.7
89.02448	7.3
93.03450	4.4
95.01409	1.3
97.02966	1.5
99.00905	1.7
101.02441	13.8
111.04526	0.7
113.02454	8.2
114.02843	0.5
115.04057	0.7
116.75346	0.5
119.03496	2.4
125.02457	3.7
127.04050	0.9
135.04550	4.0
139.07803	0.5
143.03516	4.6
159.03067	0.8
161.02502	0.8
161.04590	5.1
173.04520	2.6
179.03522	1.0
179.05766	0.5
180.47452	0.6
185.11821	5.1
191.05620	21.0
192.06068	0.6
223.27527	0.5
255.12407	1.8
287.18896	0.5
329.16055	13.9
329.19833	0.7
330.16568	1.9
347.17111	19.4
348.17502	2.3
353.08737	6.6
354.09140	0.8
389.06680	0.7
389.18179	3.9
390.18628	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03452	1.1
58.00583	0.6
59.01381	100.0
60.01715	0.8
61.26733	0.5
66.34964	0.6
69.26392	3.5
71.01381	16.7
72.99335	0.9
73.02948	6.7
83.01375	2.6
85.02949	8.9
87.00901	1.1
89.02444	7.4
89.26277	0.6
94.55466	0.5
95.01405	0.9
97.02956	0.7
99.00900	1.8
101.02447	11.4
113.02457	8.4
115.04008	0.6
119.03490	2.6
125.02440	4.8
126.02792	1.0
127.02885	0.7
135.04565	1.5
143.03549	3.0
159.03030	1.2
161.04543	4.1
166.14296	0.6
183.10236	0.5
185.11804	3.6
191.05724	0.5
323.10095	0.5
329.16052	10.8
330.16531	1.2
347.17123	19.6
348.17474	1.7
383.78116	0.6
389.09180	0.7
389.18213	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	389.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01723	1.2
60.27726	0.4
69.84677	1.2
69.85081	1.5
71.01394	9.4
73.02943	3.9
78.93154	0.4
83.01402	1.3
85.02963	2.6
87.00919	0.6
89.02454	6.4
95.01414	0.8
96.48193	0.4
101.02442	5.8
113.02448	4.1
119.03526	2.5
123.00877	0.7
125.02470	1.0
125.06144	0.6
131.03561	0.5
139.00436	0.5
143.03531	0.7
151.00385	0.6
161.04527	2.2
169.01483	1.5
329.16168	1.1
332.78845	0.5
347.17126	5.4
348.17584	0.7
389.10898	5.1
389.18295	0.6
390.11139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
57.03425	0.5
59.01380	100.0
60.01727	1.1
65.59869	0.4
69.03482	0.4
71.01382	10.5
72.99305	1.3
73.02944	3.8
83.01392	2.3
85.02944	3.8
87.00901	0.8
89.02443	7.8
95.01420	1.2
96.01081	0.4
99.00931	0.8
101.02443	7.1
107.01425	0.6
108.02213	1.7
109.02991	0.9
113.02457	3.4
117.61826	0.4
118.18069	0.5
119.03519	2.6
123.00920	1.6
125.02454	8.0
131.03514	0.4
139.00432	0.5
139.04039	1.3
143.03563	1.1
151.00406	1.3
152.01176	1.3
154.99864	0.5
156.44087	0.5
161.04564	2.1
161.97169	0.4
169.01414	14.6
170.01825	0.7
173.79526	0.4
179.05640	1.2
183.03027	1.8
192.74072	0.4
315.07166	2.3
329.16208	1.3
347.17090	5.7
347.20923	0.5
348.17767	0.8
357.04764	0.5
389.10977	7.8
389.18546	0.8
390.11246	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00574	0.7
58.02958	0.7
59.01381	69.3
60.01715	1.0
60.97521	1.1
61.98830	8.2
62.31735	0.6
63.96238	17.1
65.89080	0.7
69.03442	0.8
71.01385	13.4
71.13697	1.0
71.14031	1.0
72.99306	1.3
73.02957	3.4
74.02469	2.2
75.00880	1.9
83.01403	1.9
85.02959	5.4
86.02468	1.2
87.00877	6.2
88.98792	1.3
89.02448	6.2
95.01403	1.8
96.04578	2.1
97.02983	0.8
99.00863	1.5
99.05649	1.7
101.02445	8.2
113.02435	4.6
117.97309	100.0
118.97633	0.8
119.03479	1.9
123.00855	1.9
125.02449	7.9
128.03526	5.2
135.05617	0.8
137.00729	0.8
138.03204	1.0
139.00366	1.1
140.01105	0.7
141.01923	0.9
141.06703	1.0
143.03537	1.1
143.04602	7.6
145.02969	1.0
146.04434	0.7
147.04648	0.7
151.00339	1.4
152.98537	0.7
153.05562	4.8
154.05917	0.8
159.03004	0.8
160.00728	1.1
161.02420	1.0
161.04555	5.9
163.04065	0.7
166.01472	1.5
168.00661	1.0
169.01443	11.4
189.01991	0.9
191.03392	0.7
194.99323	0.6
201.01964	0.7
205.07304	1.4
209.02769	9.1
210.03015	0.9
210.08813	1.3
217.01363	1.0
219.64998	0.8
226.92014	0.7
229.01413	1.6
237.06148	2.6
242.07863	0.7
245.01080	1.1
249.03932	1.0
249.06177	4.1
254.07758	2.9
257.01001	1.1
272.08908	3.9
275.01910	1.9
288.06668	1.5
298.03656	17.1
299.04028	0.8
299.95175	0.6
299.99167	0.8
300.99991	5.6
306.07639	6.0
325.56464	0.7
347.17108	2.8
362.02719	1.0
389.11020	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	389.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00615	0.7
59.01385	38.1
61.98862	0.5
63.96247	0.5
71.01390	7.0
72.99345	1.5
73.02983	1.7
78.95944	0.7
83.01407	1.1
83.05075	0.5
85.02985	2.0
85.27248	0.4
87.00919	0.7
89.02459	5.8
93.03451	3.2
95.01433	1.5
96.96996	2.0
97.02947	0.7
98.20781	1.0
99.00839	0.5
101.02450	4.9
111.00893	0.8
111.04563	0.6
113.02454	3.1
116.64113	0.7
117.97334	1.7
119.03527	2.7
121.02925	2.9
123.00890	0.8
124.01694	1.5
125.02464	3.6
129.01953	0.8
137.02451	0.8
138.03279	1.5
139.04027	97.9
140.04359	4.5
156.29251	0.5
161.04585	1.4
165.02002	1.1
169.01489	3.8
179.03465	0.9
179.05612	0.5
180.69005	0.5
183.02995	100.0
184.03328	5.9
194.05823	1.0
205.03531	0.7
209.00816	0.8
209.08090	2.3
227.01974	1.0
237.06090	1.0
300.99878	1.8
345.08298	3.1
346.07819	0.5
347.16983	2.3
371.06100	0.6
384.19623	0.5
389.02173	1.0
389.06967	20.0
389.10529	1.8
390.07465	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	388.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10418	1.2
57.02829	1.1
57.03431	1.2
59.01379	85.7
61.57969	1.1
61.98829	100.0
63.96234	5.1
71.01382	15.0
71.21825	2.1
71.22188	1.2
72.99311	2.8
73.02937	4.2
75.00883	2.6
78.20967	1.0
82.48578	1.1
83.01356	2.7
85.02952	5.4
87.00871	3.4
89.02441	6.5
95.01384	1.7
99.00893	1.6
101.02440	9.4
101.43980	1.2
107.01379	1.7
107.71497	1.1
113.02454	6.8
117.96499	2.4
117.97305	36.1
119.03513	2.0
123.00900	2.5
125.02460	11.8
128.03520	1.1
132.36490	1.1
139.00404	1.5
143.03470	2.1
151.00380	2.3
152.07539	1.2
153.05548	3.8
161.04544	4.2
169.01410	10.7
205.03470	2.1
209.02774	3.7
211.02400	1.3
212.36867	1.2
225.07582	1.4
226.06116	1.7
226.08089	2.2
232.87144	1.2
237.06122	5.8
298.03528	8.8
329.15942	1.5
347.17145	7.1
369.29224	1.2
379.77350	1.3
388.09241	1.3
389.11050	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	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
56.05817	0.2
57.03449	6.0
58.00584	1.5
59.01379	36.3
60.01711	0.7
68.45171	0.2
69.03470	0.7
69.30984	1.8
71.01381	47.8
71.05013	3.3
72.01725	1.1
72.99305	1.5
73.02945	10.8
74.03281	0.3
75.00868	0.7
81.03467	1.3
83.01391	4.1
83.05044	0.3
84.02170	0.4
85.02950	17.8
86.03304	0.6
87.00867	1.8
89.02444	20.4
90.02779	0.3
91.40382	0.2
95.01392	3.7
95.05030	1.9
96.05368	0.2
97.02946	3.3
98.03775	0.3
99.00884	4.7
99.04533	0.4
99.08181	0.6
101.02440	25.2
102.02754	0.6
109.06601	2.4
111.04524	1.6
112.81136	0.3
113.02449	20.3
113.06078	0.7
113.09713	0.5
114.02772	0.5
119.03502	6.3
122.03760	0.8
123.07380	0.2
123.08136	1.7
125.02449	0.9
125.06071	0.5
129.01945	0.6
131.03496	0.7
135.08147	0.8
136.05276	0.8
137.06058	0.7
137.09731	1.7
138.06866	29.0
139.07152	1.4
143.03493	2.4
145.16389	0.3
149.04564	0.4
149.09685	0.9
150.06819	0.4
151.07649	0.7
151.11337	0.3
152.08408	0.4
153.09212	69.6
154.09541	4.3
155.10742	0.4
159.02965	4.0
161.04547	18.8
162.04892	0.7
163.07617	1.0
163.11288	0.6
165.05530	0.6
165.12837	1.1
166.50438	0.2
179.05614	1.7
181.08745	0.3
192.11508	0.6
205.03560	0.3
207.06558	0.4
207.13887	6.4
208.14294	0.4
225.07802	1.7
225.14952	100.0
226.15300	9.2
226.17120	0.2
267.87970	0.3
272.41766	0.3
282.15045	0.3
324.04501	0.3
387.12866	0.8
387.15430	0.3
387.20248	4.0
388.20490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1662
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
56.78348	0.6
57.03453	0.9
58.00601	0.8
59.01383	8.7
60.35062	0.7
69.46854	2.0
69.47285	2.1
71.01379	5.0
73.02947	12.5
85.02958	3.5
89.02448	1.8
95.01409	1.1
95.05046	0.8
101.02419	3.7
109.06590	0.8
113.02464	4.8
128.60872	0.6
129.01772	0.5
138.06776	0.7
161.04533	1.8
163.11299	7.4
163.53125	0.7
164.11653	0.9
164.70424	0.6
177.12967	0.6
181.12350	100.0
182.12709	7.3
189.01869	0.9
195.13966	1.5
205.01410	1.3
205.12331	1.2
207.10168	1.6
223.13379	1.1
225.11322	62.4
226.11588	5.2
233.00966	1.0
239.12881	1.8
246.01711	1.3
261.00531	0.9
267.12323	8.0
268.12753	0.7
280.34781	0.6
288.99857	1.8
311.10373	1.2
343.08206	0.9
354.57147	0.6
354.95908	0.7
387.07318	4.3
387.16412	3.4
387.24005	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.4
57.03442	3.6
58.00590	2.7
59.01384	100.0
60.01718	1.7
68.99851	1.4
69.03453	1.8
69.48808	2.2
69.49207	4.7
71.01387	47.8
72.99303	3.0
73.02953	23.9
75.00811	1.1
79.01919	1.3
83.01396	9.3
85.02946	16.1
85.03407	1.7
87.00887	9.5
89.01936	2.0
89.02457	29.0
95.01393	5.3
97.02940	2.1
99.00889	3.6
101.02449	42.3
101.03116	2.3
102.02797	1.1
107.01402	4.4
110.26984	1.0
111.00899	3.0
113.02461	20.2
119.03506	10.1
123.00890	16.9
124.01698	2.7
125.02452	15.3
125.06072	1.7
129.24719	1.0
131.03468	1.5
136.98918	1.3
137.02443	1.3
138.06906	1.5
139.00357	6.1
140.01190	5.0
141.01976	2.9
143.03499	2.1
149.04501	1.5
151.00362	12.7
153.01945	1.4
153.09259	5.4
161.04585	8.5
165.09209	6.7
168.00606	5.6
169.01430	19.8
170.45978	1.2
171.10454	1.0
176.94057	1.2
183.10272	35.0
184.10596	2.9
197.11758	2.7
201.43562	1.1
207.13936	1.6
225.14973	18.6
226.15344	1.3
275.95395	1.2
303.83200	1.1
327.14511	11.5
345.11151	1.4
345.15536	54.5
346.15878	6.4
387.12820	77.4
387.16641	80.4
387.20590	19.7
388.12338	6.5
388.17300	11.7
388.20996	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1299
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
55.01870	1.0
57.03447	1.0
58.00601	0.6
59.01383	16.7
67.01899	0.8
67.42603	0.4
67.54112	0.4
68.99818	0.5
69.03480	0.5
69.32663	2.7
69.33067	0.7
71.01387	13.9
72.99310	1.2
73.02962	3.0
79.01889	0.9
83.01401	2.4
84.42624	0.4
85.02954	5.1
87.00883	1.3
89.02451	8.7
95.01389	2.7
97.02959	0.7
98.19960	0.8
99.00890	1.1
101.02443	8.8
105.45873	0.4
107.01385	2.9
109.46610	0.4
110.00130	0.5
111.00893	3.0
111.36402	0.4
113.02458	5.5
119.03506	3.4
123.00896	12.9
124.01675	1.4
125.02458	11.6
126.02712	0.6
127.00375	0.8
136.98816	1.6
139.00394	4.6
140.01176	4.0
141.01921	1.6
143.03503	0.7
151.00377	11.4
151.11293	0.9
152.00690	0.6
152.08374	0.6
152.87259	0.5
153.01970	0.4
154.99783	0.6
159.88307	0.4
161.04553	1.9
162.39937	0.4
163.03986	0.5
168.00644	5.2
169.01425	16.1
170.01820	0.9
179.05641	0.9
181.05092	0.6
195.10164	0.6
211.02493	2.6
225.15002	1.5
240.39244	0.4
271.04620	1.7
282.76703	0.4
313.05579	0.8
387.12976	100.0
387.19937	3.9
388.13281	12.3
388.20636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.03448	2.2
58.88865	1.0
59.01381	100.0
60.01708	1.0
61.98843	1.1
71.01383	9.8
72.01724	1.0
73.02940	2.3
76.13467	0.8
79.95765	1.1
83.01388	2.4
85.02962	3.5
87.00913	0.9
89.02439	4.6
96.96005	3.2
98.19862	2.2
99.00935	1.4
101.02419	6.6
113.02486	4.0
117.88776	0.9
119.03491	1.5
119.05003	1.1
123.00889	1.0
125.02459	26.2
126.02762	1.0
149.02458	3.4
161.04547	3.8
163.11302	13.1
225.03998	1.1
225.07700	1.3
327.14523	3.1
387.16901	18.8
388.16904	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	387.1657
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.36450	0.8
55.01868	1.5
57.03433	2.6
58.00590	1.4
58.09397	0.8
59.01377	35.0
60.01722	0.9
62.37576	0.8
66.14632	0.9
67.55167	0.8
69.21478	8.7
71.01383	30.0
72.99309	1.6
73.02943	17.6
78.28901	0.8
83.01399	2.8
84.02110	0.9
85.02943	14.3
87.00890	1.4
89.02448	13.7
95.00822	0.8
95.01395	2.9
95.05016	1.5
97.02918	1.0
98.20683	2.0
99.00860	2.1
101.02445	18.5
108.44897	0.8
111.08154	1.1
113.02446	18.7
114.02771	1.2
119.03518	5.7
125.02377	1.5
131.03387	0.7
137.09694	1.5
143.03497	2.6
153.09181	1.3
159.03003	1.2
161.04587	7.3
163.11281	7.5
169.01372	1.0
181.12334	100.0
182.12637	7.7
207.10188	2.4
207.13884	2.0
225.11313	56.4
225.14609	5.4
226.11670	5.1
239.12828	1.0
243.15892	1.1
267.12344	8.7
327.14517	2.2
360.65134	0.9
387.07126	2.7
387.16351	3.2
387.20721	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	387.1297
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
55.01859	1.7
57.03430	1.1
58.00573	0.8
59.01381	18.7
67.01884	1.0
69.03452	0.6
69.95130	1.0
71.01379	12.3
71.04986	0.5
72.99292	1.2
73.02953	4.4
79.01871	0.6
83.01390	2.9
85.02947	6.6
87.00869	1.4
89.02443	6.1
95.01386	3.0
97.02946	0.9
99.00864	1.5
101.01801	0.6
101.02444	11.7
102.13694	0.4
107.01383	3.4
110.00109	0.5
110.96110	0.5
111.00880	3.6
113.01738	0.4
113.02456	5.4
119.03508	2.1
123.00002	0.8
123.00884	14.9
124.01711	2.0
125.02448	15.8
126.02785	0.6
126.11752	0.4
127.00350	1.2
129.01929	0.4
131.03482	0.5
136.98822	2.1
139.00371	6.2
140.01152	4.0
141.01953	2.0
143.03503	0.4
150.99199	0.7
151.00368	12.9
153.01889	0.9
159.02956	0.6
161.04535	1.2
163.04008	0.5
165.09105	0.6
168.00642	5.8
169.01419	18.4
170.01776	0.6
181.05118	0.7
183.10249	2.9
197.15379	0.5
225.14941	3.5
313.05624	0.9
327.14340	1.4
345.15546	4.0
346.15735	0.5
387.12875	100.0
387.20374	10.5
388.13220	11.3
388.20782	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1295
Annotation	N5-Dinitrophenyl-L-ornithine methyl ester
Peak:m/z	Relative Intensity
54.59937	0.6
55.01872	1.9
57.03428	1.9
58.00590	0.8
59.01379	22.1
67.01868	0.8
68.99798	0.6
69.03455	0.6
71.01381	23.5
72.99302	1.7
73.02950	7.8
79.01881	0.8
83.01379	3.9
85.02452	0.9
85.02950	12.6
87.00883	1.4
89.02443	10.3
95.01384	3.6
97.02942	1.8
99.00896	3.3
101.02443	20.9
102.02764	0.5
105.59394	0.6
107.01385	3.1
111.00878	3.8
113.02454	10.4
119.03456	3.8
123.00885	17.3
124.01673	1.7
125.02453	15.5
126.02768	0.7
127.00326	1.3
129.01976	1.0
136.98804	2.4
138.06895	0.7
139.00371	7.4
140.01173	4.4
141.01913	1.9
143.03488	1.6
144.51144	0.6
151.00365	12.8
151.11218	0.8
153.01915	1.2
159.03018	1.5
161.04532	7.6
168.00644	4.7
169.01414	18.2
170.01747	0.9
179.05632	0.7
181.04926	0.8
225.14943	7.3
243.03000	0.7
311.10474	0.7
343.08136	0.9
387.12943	100.0
387.20099	10.3
388.13272	11.8
388.20593	1.7
413.84158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1296
Annotation	Swertiajaposide A
Peak:m/z	Relative Intensity
53.51731	0.5
57.03440	3.2
59.01387	3.3
66.72939	0.5
69.38629	5.1
71.01397	1.3
71.29061	0.6
75.71075	0.7
81.03444	0.8
83.01424	1.8
83.05016	0.8
89.02461	0.9
93.03502	0.7
95.01431	0.9
97.02974	1.7
101.02480	1.4
107.05055	1.1
109.02943	1.6
111.00887	0.7
113.02497	1.2
121.02966	2.8
121.06631	0.9
122.03744	3.8
123.04518	0.6
124.01665	10.5
125.02449	38.5
126.02818	1.5
135.04541	0.9
135.08147	5.3
137.02460	1.4
137.06107	2.5
137.27516	0.6
138.03267	0.7
139.07704	1.7
141.37776	0.6
145.06558	0.7
149.02470	3.8
151.04036	1.8
151.07675	0.8
153.09247	2.8
161.06154	1.1
163.07648	37.9
164.07979	2.3
165.05556	1.2
179.07133	5.9
180.07864	1.2
181.08704	11.6
183.06609	0.7
190.66017	0.6
192.04237	0.7
195.06844	0.6
197.08159	1.5
207.06616	24.8
208.06958	2.4
224.06892	1.8
225.07675	100.0
226.08006	8.7
228.97496	0.6
243.51797	0.6
387.12866	19.9
388.13165	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	387.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	8.1
58.00602	0.3
59.01379	7.4
61.98834	0.4
69.03457	0.5
69.40241	2.5
71.01374	3.3
73.02948	0.8
74.65266	0.3
79.89982	0.3
81.03455	1.5
83.01389	5.1
83.05014	0.4
85.02957	1.5
87.00883	0.5
89.02438	2.8
93.03446	0.8
95.01398	0.5
95.05025	0.5
96.96014	2.1
97.02950	1.8
99.00877	0.8
101.02430	1.7
105.03448	0.4
107.05032	0.4
109.02980	0.4
113.02457	1.2
118.91443	0.3
119.03521	0.8
119.05006	1.0
121.02941	1.2
122.03723	0.7
123.00907	0.4
123.04549	0.9
124.01648	1.6
125.02447	100.0
126.02776	4.4
135.04555	0.5
135.08182	1.0
137.02431	1.6
137.06094	1.5
139.04018	1.3
149.02437	11.1
153.09201	0.8
161.04568	1.1
163.03989	1.0
163.07649	5.0
163.11270	2.8
164.03513	0.4
165.09059	0.4
167.03488	1.1
169.01443	0.7
177.01909	2.0
179.03436	0.5
179.07111	0.9
181.05098	1.7
181.08698	1.4
183.06624	0.4
192.04248	1.9
207.06610	7.6
207.10199	0.5
208.06929	0.4
224.06743	0.3
225.04156	6.7
225.07669	17.4
226.08061	1.0
267.08469	0.4
287.07773	1.3
351.48752	0.4
387.08905	0.7
387.12991	5.1
387.16827	3.8
388.09000	0.6
388.13174	0.7
388.17349	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60240	0.2
57.03448	8.0
58.03739	0.2
59.01378	9.0
59.85297	0.2
61.98841	1.4
66.74738	0.2
67.95794	0.2
68.78958	0.2
71.01376	2.1
71.51503	0.3
73.02939	0.3
80.00749	0.2
81.03459	1.3
83.01387	4.2
84.01692	0.2
85.02961	0.8
89.02455	1.9
95.05042	0.5
96.96023	1.3
97.02944	2.2
99.00879	0.8
101.02467	1.3
107.01388	0.3
109.02952	0.4
112.76418	0.2
113.02438	1.1
119.03487	0.6
119.05035	0.7
121.02972	0.5
123.04514	0.6
125.02447	100.0
126.02776	4.3
137.02441	0.4
137.06050	1.2
139.04002	1.2
149.02438	11.4
150.02771	0.6
151.00577	0.3
161.04599	0.6
163.03999	1.1
163.11269	2.8
163.12386	0.3
164.11629	0.3
165.05510	0.4
167.03534	0.9
169.01459	0.2
175.11320	0.3
179.03531	1.0
181.05124	1.3
188.67938	0.2
191.03514	0.3
207.06567	0.4
209.04559	0.4
225.04036	6.3
225.07581	0.4
226.04395	0.4
287.07666	1.8
306.25864	0.3
387.09256	0.8
387.16794	8.2
388.17175	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.0
56.43184	1.1
57.03449	13.6
59.01383	7.7
61.98838	1.5
67.01907	1.5
70.84276	3.4
71.01384	8.2
74.14582	1.1
74.63469	1.1
75.00850	1.3
77.63810	1.1
83.01385	8.4
84.02176	1.7
85.02957	100.0
86.03297	2.9
87.00881	3.4
89.02453	3.2
95.01405	1.2
101.02441	4.7
109.02959	2.0
111.00899	22.8
121.02959	26.6
125.02389	2.1
129.01950	32.9
137.02457	4.4
141.94150	1.2
161.04539	4.7
177.01901	4.1
177.03778	1.2
179.03394	1.4
180.00584	1.3
181.01421	7.8
181.05098	9.4
192.04214	2.8
195.06577	2.6
202.88023	1.4
205.03551	29.0
206.03889	2.3
210.05487	1.5
223.04556	14.4
225.07651	4.1
259.84500	1.3
343.06552	3.6
373.55566	1.4
387.09235	4.4
393.14288	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.3
57.03447	16.1
58.59715	1.0
59.01380	8.2
61.98817	4.1
67.01891	1.5
69.46292	4.8
69.46709	2.6
71.01379	7.8
72.99311	1.6
73.02924	1.7
75.00862	1.8
78.46664	1.1
83.01385	7.7
83.10667	0.9
84.02162	2.4
85.02950	100.0
86.03288	2.8
87.00862	1.6
87.85665	1.0
89.02435	1.4
98.20636	1.5
99.00887	1.4
101.02459	7.4
108.02178	1.2
109.02961	2.5
111.00884	19.5
112.01199	1.0
119.03420	1.3
119.05011	2.9
121.02958	28.0
125.02464	1.6
128.03542	1.3
129.01945	34.9
130.02238	1.6
137.02419	4.3
161.04556	4.5
163.07707	1.9
164.07085	1.0
165.01932	2.2
165.05447	1.8
169.01395	2.0
177.01932	3.4
179.03453	4.7
180.04207	2.8
181.01443	10.7
181.05023	9.7
182.05519	1.2
187.02463	1.7
194.05811	2.3
195.06599	7.5
205.03517	31.0
206.03809	1.8
207.06581	1.6
210.05370	1.5
223.04587	13.7
225.07675	9.0
231.02779	1.1
261.64218	1.2
300.99829	2.4
387.09256	3.9
387.13202	2.9
387.35202	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	10.5
61.98830	100.0
66.35352	1.9
71.01383	4.5
71.51526	2.3
73.52699	1.8
85.02937	3.4
89.02458	2.3
100.94736	2.1
101.02440	4.8
104.80579	1.9
113.02400	3.6
153.09181	3.6
165.23471	2.3
191.69435	2.3
206.32343	2.4
218.67192	2.5
225.15001	4.4
230.00012	2.1
315.11636	2.4
343.04492	2.6
355.08569	2.5
355.13031	2.8
387.06909	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	385.198
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
64.12876	1.0
73.52634	1.2
81.54478	0.9
109.36132	0.9
130.08727	3.7
136.23604	0.9
179.39139	0.9
269.03983	1.0
322.20496	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2752
Annotation	12-O-Desacetylfuroscalarol
Peak:m/z	Relative Intensity
57.30202	0.7
59.01395	0.8
65.03949	2.0
79.05514	1.6
87.64241	0.6
93.03452	2.3
98.20781	1.6
99.70817	0.7
107.05035	100.0
108.02194	0.7
108.05376	3.7
121.02952	3.1
149.06131	1.1
175.80450	0.7
210.16962	0.6
327.23291	40.1
328.23621	7.2
367.26395	31.8
368.26819	5.9
385.23798	1.6
385.27554	27.3
386.27966	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	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	45.5
68.29556	1.9
69.24798	16.9
71.01386	25.2
73.70599	1.7
85.02942	6.5
89.02446	28.0
95.01400	1.9
101.02448	12.3
113.02457	15.4
119.03497	7.7
120.05800	2.6
123.42296	1.8
126.96602	1.9
133.10213	5.2
135.11803	18.3
136.12134	1.8
143.03516	1.8
146.07356	3.6
159.08112	1.9
159.11783	5.2
161.09708	40.9
162.09995	2.4
179.05553	4.5
179.10773	100.0
180.11095	6.7
193.12315	2.3
199.85745	1.8
203.10796	14.2
211.29988	1.9
221.11757	3.7
223.09753	57.8
224.10153	3.9
265.10834	2.5
306.30884	1.9
385.15143	2.9
388.17664	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06612	1.0
59.01381	100.0
60.01714	1.1
64.72366	0.9
71.01401	6.9
77.10453	0.9
83.01422	0.9
85.02917	1.5
89.02462	4.2
101.02468	2.9
113.02440	3.5
114.51070	0.9
115.81472	1.0
119.03524	2.2
133.10248	1.6
135.11838	2.3
151.00232	1.1
161.09715	4.4
173.81267	0.9
178.04842	1.0
179.10803	10.7
188.86243	0.9
189.92271	1.0
203.10811	1.8
223.09767	8.1
318.99771	1.0
395.63574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.187
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
55.01874	3.1
57.03434	3.5
58.00594	2.4
59.01382	65.2
60.01717	0.9
69.03463	1.0
69.36766	6.3
69.58971	0.8
71.01386	68.6
72.01727	1.5
72.99304	2.8
73.02951	12.2
75.00868	1.2
83.01400	5.2
83.05037	1.0
85.02955	24.7
87.00883	2.4
89.02451	36.4
95.01384	6.0
95.05013	2.2
97.02956	4.5
98.19941	1.8
99.00890	5.6
101.02446	36.5
102.83732	1.0
105.07086	1.0
108.05836	2.3
109.06610	2.0
113.02451	27.2
113.06084	2.6
119.03519	12.2
119.04961	0.8
122.03747	2.4
123.04548	1.6
123.08175	4.7
125.02419	1.1
125.06104	4.6
136.05331	4.6
137.06068	2.5
138.06871	22.6
139.07707	9.2
143.03462	3.2
149.04521	1.0
149.05957	0.9
151.07658	24.0
152.04797	2.1
152.08441	43.5
153.09221	100.0
154.09552	5.5
159.03033	3.1
161.04570	17.3
161.09683	1.1
162.05020	0.9
163.04018	2.2
163.11298	3.4
164.54021	0.9
165.09227	2.5
167.07164	1.2
179.05600	2.9
179.07121	1.3
189.09236	1.9
190.10054	2.0
203.35036	0.9
205.12335	34.7
206.12695	1.6
223.06137	2.3
223.13388	14.3
224.13637	1.1
246.24342	0.9
251.75381	0.8
304.56946	0.9
342.59085	1.1
385.11227	1.4
385.18683	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00106	1.9
57.03453	2.5
59.01377	33.1
69.16798	7.3
69.17207	11.3
71.01373	20.0
71.05066	1.9
72.99312	2.9
83.01410	2.0
85.02953	7.1
89.02435	16.3
95.01376	2.5
101.02454	9.6
103.00222	2.2
113.02429	16.8
119.03497	5.1
120.05746	2.1
133.10243	2.6
135.11801	14.2
146.07376	3.7
149.09711	1.7
159.08093	2.1
159.11827	2.7
161.09727	30.6
162.10008	1.9
179.05615	2.9
179.10786	100.0
180.11105	6.4
203.10825	10.7
221.11842	3.2
223.09767	62.1
224.10127	5.2
244.37709	1.9
250.44910	1.9
265.10815	3.6
283.42239	1.8
385.15115	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	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	29.6
69.03456	17.7
69.70152	8.2
71.01376	14.1
73.02922	2.5
81.07109	1.7
85.02964	6.0
86.02879	1.5
89.02439	9.4
95.01397	1.8
97.02962	1.8
98.19991	2.6
99.00883	3.6
101.02430	9.2
111.04524	3.3
113.02451	11.4
119.03517	3.3
120.05811	1.9
125.02478	1.6
125.06026	1.5
128.88681	1.5
133.10219	2.2
135.11801	15.0
141.01982	2.6
146.07404	2.4
159.08253	1.9
159.11815	2.9
161.04529	2.3
161.09735	20.4
179.10774	100.0
180.11119	7.6
185.00908	11.4
189.12939	1.7
203.10811	17.9
205.08650	1.9
221.11687	3.6
223.09752	58.8
224.10121	4.9
265.10764	4.8
334.63647	1.7
335.63535	1.5
385.15033	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	385.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.3
58.00605	1.1
59.01381	32.2
61.98832	2.6
66.94548	1.1
70.78764	1.5
71.01005	2.0
71.01382	23.5
71.52157	2.0
72.99319	1.5
73.02940	4.0
81.07108	2.1
83.05011	1.4
83.46124	1.0
85.02969	7.7
85.03406	1.1
87.00865	1.2
89.02449	18.5
93.03449	2.9
95.01375	3.0
97.02946	1.8
99.04455	1.2
101.02450	9.6
111.04562	2.1
112.48731	1.4
113.02464	15.7
119.03508	7.5
119.05087	1.1
120.05786	1.8
125.02456	2.2
129.68474	1.4
130.74562	1.4
131.03481	1.7
133.10216	4.1
135.11806	22.3
136.12134	1.3
137.02411	3.8
143.03552	1.9
144.86009	1.2
146.07384	2.8
149.09677	1.6
152.04778	1.3
159.08041	2.4
159.11790	4.4
161.04492	2.5
161.09732	25.2
161.11073	1.0
162.10077	2.9
177.12871	1.5
179.10777	100.0
180.11130	7.7
193.12248	1.6
203.10710	10.3
204.10995	1.6
205.08713	1.6
221.11795	4.4
223.07571	2.5
223.09752	46.6
224.10085	1.4
265.10785	4.9
304.34216	1.2
359.03516	1.5
385.14566	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03448	4.4
58.00589	2.5
59.01381	51.9
61.13257	1.2
69.03486	1.5
71.01385	30.6
71.51487	2.2
72.99325	2.0
73.02959	4.8
83.01417	2.4
83.05049	1.6
85.02948	9.0
87.00880	3.7
89.02448	30.8
95.01401	3.0
99.04518	1.5
101.02438	15.4
108.02171	6.3
113.02451	15.1
119.03510	12.1
120.05790	2.7
125.02469	2.1
125.06060	2.1
131.03513	1.4
133.10208	3.0
135.11804	17.0
137.09753	1.8
143.03503	2.7
143.40147	1.5
146.07372	3.6
152.01158	3.5
153.01924	1.9
153.09250	1.7
159.08275	1.4
159.11761	3.3
161.04550	4.3
161.09715	24.6
163.11304	1.5
165.09207	12.4
165.68866	1.3
166.09631	1.6
169.01320	1.8
177.12828	1.5
179.05592	3.4
179.10773	100.0
180.11099	5.9
187.11253	3.3
193.12334	2.8
203.09106	1.9
203.10730	9.9
205.12369	4.4
221.11772	3.6
223.09752	55.7
223.13255	2.6
224.10045	3.9
265.10751	4.4
281.00983	1.4
307.54156	1.5
329.10782	1.3
337.53308	1.3
367.85873	1.7
385.11160	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60633	2.6
54.37981	2.0
59.01387	10.9
61.98833	2.7
62.10484	1.6
70.98647	3.3
71.01385	5.2
85.02951	5.7
110.69705	2.0
116.75483	2.4
119.05035	93.8
120.05353	4.0
136.03740	2.1
158.08313	2.3
163.04022	100.0
164.04395	4.5
174.01717	4.8
223.04631	3.7
231.36838	2.3
255.06277	2.0
300.99957	3.2
305.98877	2.5
385.11435	4.8
386.11438	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	385.114
Annotation	Axitinib
Peak:m/z	Relative Intensity
51.81164	1.1
59.01379	7.2
60.03876	1.2
62.53146	1.4
71.01377	3.4
72.99281	2.5
73.02948	3.8
74.96393	1.2
75.00868	2.3
83.01405	3.3
85.02946	7.0
87.00895	4.7
89.02423	1.7
93.88701	1.2
95.47350	1.3
101.02433	1.5
113.99582	1.6
115.00359	9.7
119.03368	1.5
119.05015	4.9
120.03237	1.3
163.03989	11.0
174.01686	79.7
175.02477	8.9
179.03456	1.7
193.05020	2.3
206.99466	2.2
207.45108	1.5
209.08206	4.6
239.09323	1.6
251.09229	1.6
266.36774	1.6
267.08707	3.7
281.48282	1.3
295.08176	10.7
325.09250	15.8
326.09512	2.2
385.11401	100.0
386.11578	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	383.2592
Annotation	Surinone B
Peak:m/z	Relative Intensity
59.01387	1.0
59.33272	0.7
60.17575	0.6
72.74118	0.6
88.77122	0.6
121.19345	0.7
135.04425	0.7
136.05295	1.9
149.68637	0.7
163.04007	1.0
164.04796	23.8
165.05185	1.2
177.05560	31.2
178.06102	3.4
188.08507	0.7
191.07150	8.0
192.07506	1.1
196.03769	11.5
205.08690	1.4
219.10260	4.6
233.11815	4.0
247.13367	2.0
259.01111	0.7
261.15027	1.3
275.16611	0.7
315.19717	0.6
353.21359	1.8
367.22269	0.7
381.24405	2.8
383.25903	100.0
384.26257	19.7
384.31091	1.4
389.05023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11852	0.4
59.01368	0.8
65.00315	0.5
71.50932	0.4
71.51363	0.6
78.38718	0.4
86.93465	0.4
120.99657	1.1
135.00873	0.5
147.04503	0.4
188.88469	0.4
198.03192	0.4
205.12444	0.4
211.03976	0.8
223.03951	0.5
223.09671	1.1
225.09160	2.8
226.02652	0.5
237.01917	1.2
237.05524	0.7
239.03500	0.8
240.04207	0.9
241.05038	0.4
241.08720	2.1
251.03561	1.2
252.04294	1.5
253.08649	2.7
263.03494	0.8
263.07022	0.6
265.05038	0.9
266.05850	0.5
269.08121	2.4
277.04938	0.6
278.02127	1.0
279.02966	32.6
279.06033	1.2
280.03513	6.5
280.06924	0.7
281.05090	0.7
281.08203	4.2
283.02420	4.7
293.04556	3.4
294.05295	2.2
295.02451	1.4
295.05862	0.7
296.02960	0.7
297.07645	2.0
307.06113	3.5
308.06653	1.3
309.07672	28.5
310.07986	4.1
312.06454	0.8
323.05624	0.4
325.07092	3.3
353.06644	100.0
354.06985	14.2
354.11438	0.6
379.12253	0.4
385.09183	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	383.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	54.8
61.98833	7.5
70.51714	6.9
70.52052	13.1
71.01366	25.2
85.02951	15.0
89.02440	23.5
101.02418	11.8
113.02451	12.8
133.02962	9.8
147.57742	5.1
160.11330	6.2
161.02437	100.0
168.90868	5.4
181.17001	5.3
203.08147	9.2
256.15506	5.3
288.07132	6.2
342.92484	5.8
383.14761	25.0
384.11853	6.1
384.16638	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.259
Annotation	Persicaxanthin
Peak:m/z	Relative Intensity
59.01368	2.0
63.54052	0.7
65.03960	2.1
70.35283	1.3
71.01368	1.2
73.89466	0.7
76.10516	0.7
79.05553	1.0
89.02451	0.8
89.87937	0.7
93.03465	3.1
107.05030	100.0
108.02116	0.8
108.05366	4.2
121.02959	3.5
133.02882	0.9
143.83720	0.7
145.64861	0.7
149.06090	3.5
161.06044	1.2
204.40193	0.8
265.83810	0.7
339.23270	1.0
341.10486	0.9
343.87909	0.7
353.24850	8.6
354.25095	1.6
355.26593	4.8
356.26663	0.8
365.24832	49.1
366.25174	8.6
383.25919	26.9
384.26245	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	383.138
Annotation	DODECAMETHYLPENTASILOXANE
Peak:m/z	Relative Intensity
57.03423	1.2
58.00591	1.6
58.27518	0.9
58.99585	1.0
59.01382	59.3
61.98833	11.3
71.01382	34.8
71.51239	1.5
71.79496	0.9
72.99304	3.0
73.02926	2.6
74.99140	1.1
75.00845	1.2
81.03458	1.1
83.01401	2.4
85.02966	7.1
87.00893	6.5
89.02450	41.5
95.01379	2.3
99.00896	1.1
101.02444	20.9
102.02785	1.6
113.02449	14.9
115.05855	1.3
119.03515	15.3
119.05009	2.7
120.99654	1.8
135.04532	1.0
143.03506	2.0
145.03000	1.1
154.24869	1.0
158.19705	1.1
161.04613	2.4
163.03958	3.5
165.79176	0.8
169.01390	1.3
179.05547	4.5
198.01895	0.9
202.10239	1.0
203.10812	1.1
221.11873	3.2
231.03053	1.7
240.32536	1.0
251.13977	1.3
261.13577	1.5
295.12170	8.0
339.04929	1.1
383.13803	100.0
384.14041	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23790	0.7
59.01381	100.0
60.01717	1.8
70.99475	1.9
71.01376	1.4
73.02937	0.7
86.34039	0.6
89.02445	0.8
93.03448	5.6
96.16434	0.7
113.02423	1.1
137.02438	10.9
148.09372	0.7
153.76273	0.6
153.77731	0.7
163.03963	0.7
172.56563	0.6
211.78445	0.7
281.06650	3.5
339.08749	1.3
383.07446	0.8
383.24506	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	383.1348
Annotation	Hymenoside T
Peak:m/z	Relative Intensity
56.50516	0.3
59.01376	1.9
65.03973	0.6
68.82779	0.2
70.63297	0.2
71.01368	0.7
71.52704	0.3
73.01482	0.2
85.02934	0.4
87.00891	0.3
89.02454	0.6
93.03458	60.3
94.03782	2.2
95.53739	0.2
101.02470	0.4
113.02409	0.4
125.02447	1.0
137.02444	100.0
138.02769	4.8
151.00345	0.4
168.00603	0.3
169.01393	0.8
188.31686	0.2
201.08113	0.2
339.05194	0.3
383.04016	0.5
383.13263	0.9
383.17438	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	382.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00678	0.7
56.66528	0.6
57.03457	0.7
59.01384	14.1
70.31084	1.3
70.31496	1.1
71.01390	8.4
72.99337	0.6
73.02945	1.7
75.00877	18.1
76.91550	0.6
83.01384	1.0
85.02965	2.2
87.00880	18.7
88.01261	0.8
89.02428	3.3
95.01377	0.9
98.20617	0.7
99.00856	0.8
101.02448	4.4
103.05505	0.7
104.19300	0.6
113.02465	2.7
115.05533	7.4
116.05083	3.5
119.03533	1.0
130.06631	8.6
132.04568	25.2
133.04913	1.9
141.06749	0.9
144.04550	1.2
146.06163	1.0
157.05310	1.6
158.06120	100.0
159.06439	5.8
161.02472	0.6
174.05574	3.2
176.07188	1.1
178.13846	0.7
185.05647	1.0
202.05110	42.6
203.05453	3.0
215.79791	0.7
219.02481	0.7
220.06183	7.5
221.06543	0.9
230.01715	0.7
237.06160	9.5
246.01530	0.7
249.06160	11.5
250.04263	0.9
250.06589	1.3
262.07187	1.1
306.03372	2.0
382.11432	49.7
383.11630	6.3
387.10764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67912	0.5
57.03429	0.6
59.01379	13.5
67.31503	0.6
71.01384	10.0
71.50980	0.9
72.99314	1.3
73.02944	1.3
74.02461	0.7
75.00874	19.9
79.73767	0.5
81.02221	0.5
83.01392	1.6
85.02932	3.8
85.58636	0.5
87.00875	18.4
89.02455	5.6
89.55541	0.7
95.01372	1.5
99.00904	0.8
101.02451	5.8
106.11947	0.6
113.02458	3.0
115.05537	5.6
116.05060	3.1
116.05839	0.9
119.03508	1.5
130.06628	9.2
132.04556	26.8
133.04904	1.5
141.06700	0.7
143.04611	1.2
144.04532	2.1
147.63388	0.6
157.05302	1.5
158.06111	100.0
159.06490	5.7
161.04678	1.3
169.01418	0.6
174.05563	4.4
175.02753	3.8
176.03522	28.8
176.07074	1.1
177.03897	1.7
185.05734	1.0
202.05089	45.1
203.05428	3.4
220.06139	9.3
220.09525	0.8
237.06148	8.4
249.06151	11.2
250.06570	0.7
262.07288	1.8
311.07736	0.7
323.17188	1.0
338.08817	2.3
351.59750	0.7
359.46564	0.6
382.11456	52.7
383.11594	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	382.1004
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
56.43969	0.6
59.01370	3.1
61.98830	9.6
71.01379	13.0
71.50399	0.8
71.50776	0.7
75.00875	1.0
78.95898	0.6
85.02956	1.2
87.00871	0.9
89.02424	1.5
92.02578	1.3
96.96064	0.6
100.00402	5.3
101.02450	1.5
105.63961	0.5
107.03646	2.5
108.02173	2.1
112.04088	0.6
113.02425	1.2
114.75108	0.5
115.00379	14.8
119.03641	1.4
119.05007	4.6
124.55859	0.5
132.04596	1.0
133.03908	1.1
134.04729	100.0
135.05075	2.3
146.08250	2.2
147.08604	0.7
153.01918	0.8
158.06117	4.1
160.06219	0.7
161.04565	1.2
162.07858	8.4
176.03532	6.0
184.06125	0.9
188.05806	1.3
202.05127	1.7
206.06822	33.7
207.07104	2.4
220.06104	3.4
232.04585	0.6
249.05998	0.5
250.05847	4.3
250.98694	0.8
266.08914	4.5
285.06186	2.9
285.60645	0.5
347.31537	0.6
382.10184	27.5
382.16144	5.4
383.10306	2.8
383.15726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1919
Annotation	Cinncassiol A
Peak:m/z	Relative Intensity
55.01878	1.0
55.35635	0.8
57.03445	1.0
58.00600	1.5
59.01383	7.0
62.66798	0.8
66.89912	0.9
69.03467	2.0
69.27790	5.1
69.28220	3.4
71.01378	7.7
73.02948	2.6
81.79199	0.9
83.01396	1.5
85.02945	3.8
86.03867	0.8
98.19900	1.8
101.02450	7.0
113.02437	2.3
131.03522	3.5
137.09712	3.2
161.04512	1.9
183.03035	1.2
217.16089	1.7
240.70505	1.3
245.19203	2.1
249.13422	12.5
255.17801	1.1
273.18637	1.6
286.82364	0.9
300.91812	1.1
337.20203	32.6
338.20572	4.0
381.19186	100.0
382.19547	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	381.2799
Annotation	Strongylophorin 22
Peak:m/z	Relative Intensity
58.22996	0.3
61.15141	0.3
69.27082	2.1
74.89334	0.3
79.95762	0.3
82.00581	0.3
92.02659	0.3
93.03443	0.3
95.01385	0.4
96.96017	2.8
98.20616	0.6
106.04291	0.8
107.05034	1.2
108.02172	0.9
109.06627	0.3
119.05032	5.2
121.02962	9.1
122.03280	0.4
133.06583	1.2
137.02357	0.3
149.09720	0.3
161.09836	0.3
175.11314	0.7
189.12784	0.6
189.25764	0.3
196.56471	0.3
203.14413	0.6
217.15971	0.3
223.12932	0.3
224.90846	0.3
231.17455	1.3
381.23761	3.6
381.27963	100.0
382.28320	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93047	0.9
51.49177	1.1
55.01873	5.7
57.03456	5.9
58.00581	1.9
59.01378	36.9
69.03452	1.9
69.50005	6.8
71.01381	48.3
72.99292	1.4
73.02557	2.0
73.02947	28.3
74.02462	2.7
74.03301	1.2
75.00855	1.7
83.01384	11.1
85.02947	26.8
85.06625	1.4
86.00099	1.9
87.00877	2.8
89.02445	12.8
95.01367	3.0
97.02938	3.1
99.00883	10.3
101.02441	58.9
108.86811	1.0
111.00883	1.9
113.01721	1.6
113.02443	19.6
115.03973	1.9
125.02442	3.1
129.01848	1.4
131.03442	2.8
143.03481	2.3
144.72430	0.9
149.04596	2.4
159.02916	3.7
161.04533	20.5
163.04060	1.0
180.24193	0.9
181.05038	1.6
233.06674	2.7
249.13408	100.0
250.13771	7.1
337.14780	2.5
381.17569	72.9
382.17950	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	381.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	5.4
55.53100	0.7
57.03441	3.4
58.00595	1.2
58.27479	0.7
59.01381	35.3
69.03457	1.3
71.01381	47.6
72.01703	1.0
72.99313	1.9
73.02947	29.3
75.00874	1.5
76.23763	0.7
79.83495	0.7
81.03446	1.0
83.01387	13.1
83.01875	0.9
85.02452	1.7
85.02950	29.9
85.06602	1.1
86.00103	2.0
86.03318	0.8
87.00872	2.9
89.02443	11.4
95.01384	2.4
97.02956	2.1
99.00884	11.4
101.02441	57.3
102.02769	1.8
111.00864	2.0
113.02454	21.2
115.04002	2.2
117.03477	1.1
119.03596	0.9
122.09340	0.9
125.02441	3.2
129.01933	1.3
131.03474	4.4
137.02516	0.8
143.03474	1.6
145.02924	1.1
147.65390	0.7
149.04544	1.1
159.02997	3.9
161.04547	19.6
162.04962	1.0
183.02943	1.8
233.06650	2.5
249.13411	100.0
250.13722	6.0
258.52151	0.9
261.03983	0.9
264.74301	0.8
311.76556	0.7
339.99277	0.8
360.81873	0.7
366.03174	0.8
381.17621	77.2
382.18060	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	381.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.7
61.98810	2.2
70.04527	3.4
70.04944	1.9
71.01383	4.9
72.00908	2.3
78.61390	1.1
82.02979	1.2
89.02431	4.1
92.05040	2.3
96.96941	1.3
99.98506	1.1
100.51322	1.1
101.02451	2.9
113.02440	1.7
116.05036	4.2
128.07088	1.1
131.03748	4.3
132.04550	9.7
133.03061	1.1
142.06639	2.4
144.04559	9.7
146.08073	1.2
155.06175	1.5
156.06898	6.7
157.07631	5.3
158.04967	1.2
158.06119	5.9
159.05592	2.6
160.04054	9.8
167.06155	12.3
169.07706	5.5
170.06140	2.8
171.09277	10.1
172.07683	1.4
173.07205	11.9
179.06068	1.7
181.07719	58.0
182.06137	2.5
182.07968	4.0
187.08731	3.2
188.05812	2.5
197.07164	4.9
198.50333	1.2
199.08749	35.8
200.09088	3.3
201.06686	3.7
217.09787	4.3
226.05049	3.1
243.07730	32.8
244.08060	2.5
261.08792	100.0
262.09134	8.1
273.08737	2.2
343.11276	2.8
363.11890	3.9
367.59079	1.3
381.08496	3.0
381.12793	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	381.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81425	0.5
54.11534	0.5
59.01379	100.0
60.01715	1.5
71.01379	0.6
71.52075	0.8
78.41650	0.5
78.95894	0.9
95.60962	0.6
114.19869	0.6
129.91151	0.5
193.01367	0.7
249.17140	0.6
321.19318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	19.7
69.70665	100.0
70.65573	20.1
96.95997	73.5
99.01491	19.5
106.37789	18.6
123.22923	19.4
172.03387	18.2
204.75244	20.5
331.43576	19.6
381.23120	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.046
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19134	6.1
59.01382	12.6
65.00329	16.0
67.14027	5.3
68.77567	5.1
71.00090	8.4
71.00420	10.3
75.00899	13.2
87.00869	7.6
95.01390	13.4
97.02939	15.4
101.19816	5.6
107.01382	7.3
110.86838	5.1
111.00894	12.1
117.03489	6.2
123.00945	9.1
132.04625	6.6
133.02910	9.4
139.00415	6.9
145.02914	20.6
151.00403	14.0
153.01920	21.9
158.06134	37.9
161.02460	18.0
163.00459	7.7
163.03996	9.5
167.03410	6.7
168.00702	10.0
169.01404	9.1
171.02980	15.1
173.02426	18.3
175.03954	9.5
177.01863	10.5
181.01427	43.4
183.03014	81.6
184.03223	5.7
189.01907	31.5
190.02742	22.9
191.03500	7.8
193.01390	22.1
193.98628	10.0
194.99232	10.2
197.04454	7.3
201.01901	24.7
202.05048	14.8
203.03526	14.9
205.01419	6.8
208.00137	12.2
217.01382	47.8
218.02060	13.3
221.04559	8.4
223.02419	28.7
229.01407	23.4
233.04555	19.4
237.00378	8.6
237.06079	6.8
244.98601	7.1
245.00893	36.3
245.03075	6.7
246.01685	19.3
249.04041	43.2
259.02438	8.6
261.03961	39.2
263.05676	6.1
273.00375	73.7
277.03543	27.4
293.02985	10.0
293.06381	8.7
305.03015	100.0
306.03391	9.9
309.06204	10.6
313.60495	6.3
337.05545	52.6
338.05984	7.3
363.03506	9.2
382.11447	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	381.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47850	5.6
59.01384	23.0
62.04879	5.9
71.00254	14.3
71.01379	10.2
75.00875	9.3
79.43599	6.1
93.03462	6.3
95.01392	15.5
97.02962	15.9
102.28542	6.3
111.00903	21.9
114.13597	5.8
117.03451	12.2
123.00875	9.5
132.04631	6.3
139.00391	16.8
141.01939	15.6
145.02962	8.0
151.00423	10.8
153.01913	22.2
158.06096	35.6
161.02441	25.5
163.00410	7.7
168.00487	7.5
169.01404	6.5
171.03017	21.9
173.02467	21.7
175.03914	14.1
181.01402	33.6
182.02094	7.4
183.02988	91.7
189.01955	36.8
190.02708	18.1
191.03395	6.7
193.01515	15.6
193.98566	20.7
194.99309	8.7
195.02895	11.3
201.01970	19.6
202.05080	15.4
203.03479	10.4
205.01436	10.3
217.01486	37.3
218.02122	14.7
222.01645	6.6
223.02449	17.6
229.01392	20.0
231.03004	11.4
233.04515	14.0
235.02528	10.7
245.00905	27.6
246.01582	21.7
249.04031	40.0
249.06195	8.5
250.04475	8.0
261.03995	36.8
273.00381	56.0
277.03476	24.3
293.06567	7.2
305.03046	100.0
306.03131	9.7
309.06161	7.2
337.05615	48.7
343.58273	7.4
358.18768	8.1
382.11343	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	379.1607
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.00593	1.8
59.01378	100.0
60.01701	1.9
61.98834	8.7
69.03460	1.2
70.47844	1.1
71.01382	19.2
71.05010	4.4
72.99300	7.3
73.02940	10.3
74.02452	1.0
75.00864	1.5
83.01376	2.7
83.05039	1.7
85.02962	8.7
87.00869	1.9
89.02447	14.9
95.01356	1.3
101.02437	15.0
107.05002	1.3
107.35856	1.1
113.02461	5.7
115.03938	1.4
119.03474	4.8
120.99631	11.4
123.53838	1.1
125.02423	1.5
125.06111	2.5
129.05508	1.1
135.04517	13.8
137.06035	1.4
137.09705	3.0
143.07121	2.8
146.08275	1.3
153.01926	1.1
155.10782	1.9
161.04561	3.7
163.03990	1.9
169.01424	2.5
179.03413	1.4
179.05606	2.3
181.05028	2.7
181.08658	1.5
199.09758	15.0
208.00067	2.0
216.00737	1.5
217.10789	5.0
219.02968	1.2
247.02409	2.8
271.46262	1.1
275.01944	4.2
277.15662	1.7
291.05103	5.1
292.05484	1.3
301.07346	2.4
307.04510	3.8
319.13916	4.1
331.11752	3.2
337.72855	1.1
341.11270	2.0
361.15021	3.3
379.16043	63.9
380.16269	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	379.2854
Annotation	Persin
Peak:m/z	Relative Intensity
58.00599	0.3
59.01358	0.4
61.85005	0.2
69.43378	0.7
69.43787	0.9
85.06590	2.2
93.65817	0.2
96.96014	0.3
98.19926	0.5
108.02176	5.4
113.06068	0.3
115.07650	0.7
121.02944	0.5
122.03741	13.8
123.04073	0.4
124.01653	0.9
135.04509	1.4
136.01653	2.0
149.06041	0.2
261.18558	0.3
263.20120	2.1
264.20279	0.3
275.20172	0.7
283.21460	0.2
291.19662	6.8
292.20007	0.6
321.20645	1.6
322.21021	0.3
343.26367	0.8
347.25818	0.5
359.25821	0.8
361.27484	2.7
362.27856	0.4
375.25439	1.9
377.26978	10.6
378.27374	1.4
379.28516	100.0
380.28860	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	380.1561
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
59.01382	22.3
66.57591	0.6
70.92654	1.9
71.01382	37.6
71.05017	7.8
72.01731	1.0
72.99312	1.1
73.02933	1.6
82.07043	0.6
83.01395	0.9
84.95165	0.6
85.02958	3.8
87.00883	1.0
88.04047	6.7
89.02438	11.3
95.01386	0.9
98.12923	0.6
99.04514	2.3
101.02435	8.9
110.20123	0.7
113.02454	4.4
116.07156	1.5
119.03486	2.7
128.07155	2.4
146.08226	67.9
147.08565	2.1
161.04539	1.3
189.51608	0.6
200.09322	1.3
218.10318	1.1
263.11237	1.0
278.44736	0.7
308.13477	7.2
309.13797	1.2
314.25348	0.6
323.68491	0.7
362.14560	2.2
380.15610	100.0
381.15887	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	379.1611
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.00594	2.7
59.01382	89.9
69.83275	3.1
69.83681	3.7
71.01385	59.4
72.01682	1.4
72.99297	1.7
73.02954	16.1
75.00890	1.2
78.26268	1.5
83.01394	3.1
85.02958	10.7
87.00903	2.5
89.02449	100.0
93.35780	1.4
93.63633	1.2
95.01420	3.9
97.02956	1.9
99.00871	18.6
101.02452	38.5
113.02454	14.6
119.03520	18.0
125.02392	2.7
128.40701	1.9
131.03506	14.2
134.54922	1.4
135.15355	1.6
143.03491	4.5
149.04567	39.7
157.08691	2.7
161.04544	5.5
179.05617	9.9
191.05612	12.4
206.82603	1.3
247.11894	6.9
251.07614	2.9
331.12125	1.5
342.08847	1.5
379.10953	1.5
379.16080	32.7
380.16357	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	379.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
57.03434	1.7
58.00590	1.1
59.01373	6.3
62.01854	0.6
66.15144	0.5
68.35144	0.7
69.03460	1.0
69.31749	4.1
69.32157	0.9
71.01389	2.7
73.02943	11.2
85.02934	1.0
93.03458	2.2
95.95687	0.6
97.06586	0.6
101.02426	0.7
107.05034	1.2
111.04529	1.2
113.06089	1.3
115.07648	0.8
119.04998	1.1
121.06543	0.8
133.06540	1.0
135.08162	1.6
137.09755	0.6
141.07117	4.1
143.05017	1.4
143.08665	1.4
145.06587	1.1
155.08681	1.2
157.06548	1.8
159.08125	5.8
161.09735	4.0
163.07683	1.5
163.39680	0.6
171.04518	2.2
173.06061	0.6
175.07582	1.8
175.11244	0.8
177.09204	1.6
179.10735	1.3
185.02420	1.1
185.06013	0.9
187.07616	8.5
188.08089	0.7
189.12820	1.4
199.11241	0.8
201.12845	1.1
202.06303	0.8
211.14952	1.2
217.12215	1.2
219.13901	1.7
225.13004	0.7
229.12421	1.0
229.15990	4.4
231.13927	5.1
233.15581	1.2
241.45322	0.6
247.17014	1.3
255.13889	15.1
256.14270	2.1
271.13312	2.8
273.14957	5.9
274.15576	0.7
275.12845	0.9
289.14639	0.6
291.16031	6.0
292.16388	1.2
299.12906	6.5
300.13205	0.9
317.13928	1.4
335.14996	32.2
336.15436	3.6
361.12851	1.3
379.13953	100.0
380.14273	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	379.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20718	1.2
55.38067	1.4
56.31018	1.3
57.47520	1.5
59.01374	1.9
61.98798	1.8
67.01878	1.9
69.03448	3.0
71.06881	3.2
71.07220	2.1
79.01862	1.7
90.19518	1.3
95.01394	2.3
96.96004	1.7
97.02913	1.5
102.76715	1.5
111.00878	5.5
114.71260	1.3
116.05024	1.7
123.00886	17.5
124.01668	4.4
125.02448	79.4
126.02772	4.3
127.00354	2.0
136.98747	1.7
139.00349	9.6
140.01166	8.7
151.00363	9.7
153.01944	20.5
168.00633	16.6
169.01422	100.0
170.01778	3.3
197.00903	2.6
229.95540	1.7
273.37061	1.7
305.21185	5.1
313.59396	1.5
379.20645	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	379.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93827	0.5
55.39146	0.5
57.03440	0.7
59.01382	1.8
61.78458	0.5
65.12537	0.5
69.03458	2.2
69.28397	1.7
69.28813	2.7
70.58740	0.4
71.01376	0.6
72.27492	0.5
73.02947	4.1
75.54651	0.4
83.05042	0.7
85.02973	1.1
86.59373	0.5
90.97065	0.5
92.41316	0.6
93.03466	2.4
98.19805	0.9
111.04483	0.6
118.50848	0.5
119.05027	4.4
120.05385	0.6
123.08215	0.6
125.35349	0.5
133.06572	0.7
135.08165	1.9
137.09712	2.1
141.07076	0.8
143.04958	0.7
145.06604	1.6
147.08131	0.6
156.04971	0.7
157.06564	1.0
159.08142	3.3
161.09749	8.9
163.03999	0.7
173.09767	0.7
175.07585	0.7
183.02940	1.0
184.03181	0.5
185.03407	0.9
187.07611	1.0
187.11307	0.8
188.04828	1.4
189.05563	2.3
197.72466	0.6
199.11465	0.6
201.12843	0.6
203.14485	1.1
211.11394	0.7
216.04243	2.3
217.05051	6.0
229.12389	1.2
229.15927	3.5
230.16270	0.6
247.13332	2.0
255.13910	2.8
273.14948	3.3
335.15030	1.0
361.12640	1.1
379.14008	100.0
380.09799	0.8
380.14374	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	379.1398
Annotation	Pretoxin
Peak:m/z	Relative Intensity
51.86227	0.8
53.51221	0.6
55.01876	0.9
59.01374	3.5
60.22777	0.7
65.00312	1.8
66.03366	0.8
67.01879	2.8
68.99809	1.7
71.01395	3.8
71.51795	1.0
72.99304	3.1
79.01880	0.7
82.00587	1.1
83.01394	3.7
83.05033	1.4
87.00882	1.8
95.01372	3.3
96.99306	1.2
97.02940	0.7
99.00868	1.6
101.02454	1.0
106.00580	1.7
110.00092	3.0
111.00883	20.3
113.02441	1.3
123.00883	12.9
124.01662	14.4
125.02457	9.4
126.60766	0.7
127.00388	7.1
136.98801	14.0
137.02408	1.1
137.99097	0.8
139.00378	21.3
139.54547	0.8
140.01158	31.0
141.01643	1.2
146.03706	0.9
151.00356	8.8
153.46066	0.7
154.99872	2.6
161.04454	0.8
162.03264	4.1
163.11284	1.9
166.99860	8.0
168.00638	58.5
169.01164	3.9
172.05327	0.8
174.03183	0.7
209.11827	25.7
209.13823	1.5
210.12161	2.1
227.12895	9.9
247.13713	0.9
255.14104	0.8
261.02850	0.9
271.13376	1.5
273.11273	1.9
273.14938	0.7
289.14331	2.3
291.12491	1.1
299.12869	4.6
317.10513	1.1
317.13922	11.1
318.14340	1.7
323.06210	0.7
335.11328	10.4
335.15057	3.2
336.11826	1.4
361.13016	3.4
379.13956	100.0
380.14282	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	377.2695
Annotation	Irisoquin A
Peak:m/z	Relative Intensity
57.20351	0.5
58.00591	1.5
59.49020	0.4
61.98819	1.0
71.01417	0.6
71.05021	2.0
99.04552	0.9
99.08159	4.8
101.06081	2.9
108.02169	3.7
115.14986	0.5
122.03737	20.1
123.04099	0.7
124.01680	1.2
129.09201	3.0
135.04532	5.0
136.01689	3.6
136.05028	0.5
141.17722	0.5
147.35164	0.4
149.06097	1.4
191.10750	1.0
219.13892	0.6
247.17014	20.5
248.17326	1.9
259.16928	1.2
261.18549	0.5
263.16418	0.8
275.20139	10.9
276.20520	1.6
277.17999	0.9
287.20020	0.7
288.17413	0.5
291.19598	7.7
292.19971	1.2
293.17545	1.9
293.20834	0.5
305.20929	0.5
319.19022	1.0
321.20676	14.6
322.21060	1.7
341.24899	3.7
342.24939	0.9
359.25845	7.5
360.26199	1.0
375.25443	2.1
376.80063	0.5
377.26941	100.0
378.27261	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	378.104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.8
61.98831	100.0
67.34753	0.8
70.88390	1.4
70.88715	1.0
71.01400	1.5
71.16750	0.6
85.02979	0.9
89.02450	1.2
93.79579	0.8
101.02473	0.7
114.05642	1.0
153.05582	1.0
156.06627	1.3
175.19820	0.6
195.65152	0.7
197.40164	0.9
199.09769	1.3
273.34232	0.8
275.01938	1.0
301.00070	0.9
353.61774	0.8
379.16248	2.9
388.84134	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60391	49.4
61.98833	100.0
63.51782	60.0
87.71598	59.4
89.27393	54.1
93.10095	55.2
93.93605	59.7
229.17131	57.3
312.72284	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	379.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51733	1.4
59.01107	2.2
59.01381	27.7
65.00327	2.9
71.01373	5.4
71.28112	1.8
71.28447	2.4
75.00874	2.2
80.92285	1.5
85.02979	1.6
89.02452	1.6
95.01389	1.6
99.00887	1.5
101.02433	5.8
105.03536	1.6
107.01394	2.0
108.02177	2.5
113.02434	2.6
113.34338	1.6
115.01898	3.5
123.00890	2.7
124.01637	1.6
125.02412	1.8
131.01340	3.5
132.02159	8.7
133.02875	1.9
143.01404	8.1
145.02927	1.7
147.00871	3.3
147.04466	1.7
148.01672	9.9
149.02328	2.5
151.00356	5.7
159.00848	10.2
160.01666	16.1
161.02477	8.1
161.04561	1.6
163.00378	2.2
163.03972	2.2
169.01462	3.7
171.00858	6.2
172.01709	2.8
172.08472	1.7
173.02361	2.0
175.00363	1.7
175.04021	3.3
176.01134	10.0
177.01880	5.2
178.20810	1.4
178.99881	2.6
187.00372	9.9
188.01161	11.8
189.01929	5.4
190.99869	2.7
191.03450	3.4
201.01929	1.8
202.99837	6.0
203.03493	3.3
204.00627	18.7
205.01430	17.3
206.99336	3.1
214.99849	19.3
216.00620	22.9
217.01314	6.2
218.01918	1.8
219.02818	7.4
220.03801	4.4
226.99895	2.9
227.01950	2.4
229.01421	4.8
230.99284	6.0
231.02965	4.0
232.00111	18.4
233.00861	1.8
235.02473	2.1
242.99342	21.8
244.00050	14.5
245.00864	5.5
247.02538	7.3
248.02899	2.5
258.98837	4.7
259.99573	7.8
263.01843	9.6
264.02744	15.4
265.03018	2.0
270.98813	14.9
275.01965	13.1
276.02643	1.6
291.01465	5.7
292.02155	1.7
301.03552	6.5
303.01462	100.0
304.01816	7.3
319.00961	12.2
319.17548	1.8
320.01614	2.5
335.04108	4.4
347.00433	67.1
348.00790	6.4
352.97147	1.8
361.02032	4.8
369.48758	1.4
379.03067	64.4
379.19742	26.4
380.03323	6.3
401.03674	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	377.2698
Annotation	Irisoquin A
Peak:m/z	Relative Intensity
51.22733	1.0
71.50616	1.0
72.30470	0.9
87.39438	1.1
108.02194	7.7
122.03745	17.9
123.04102	1.2
124.01626	1.2
133.90448	1.3
135.04546	1.6
136.01657	3.3
161.39937	0.9
244.08539	1.1
331.26373	10.9
332.26865	1.3
333.28021	3.9
359.25931	98.7
360.26239	17.4
372.83948	1.2
377.26987	100.0
378.27328	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2538
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
51.05838	0.7
53.80067	0.5
56.72884	0.6
58.00581	2.5
59.53894	0.6
70.25304	2.7
71.04998	0.8
73.02938	2.4
81.03468	3.5
98.19881	0.6
99.04508	2.4
108.02151	3.3
121.02988	0.8
122.03736	37.2
123.04059	0.8
124.01653	1.9
135.04529	17.1
136.01669	7.7
136.05179	0.7
147.48410	0.6
149.06064	3.6
154.43335	0.7
177.09210	2.1
191.10783	2.2
219.13864	1.1
226.03987	0.6
233.15453	0.6
255.55511	0.6
263.15799	0.7
271.72473	0.7
273.18506	0.7
275.20157	28.6
276.20517	3.9
287.20212	2.2
301.21722	36.2
302.22147	4.3
303.19586	2.8
303.23322	3.3
304.19937	1.1
305.21158	1.5
311.20047	0.8
313.21790	8.7
313.25146	1.0
314.22122	1.1
315.23285	1.0
331.22717	8.9
332.23175	1.1
339.23245	8.1
340.23679	1.2
355.22723	0.8
357.24319	31.7
358.24634	5.0
375.25391	100.0
376.25751	13.9
376.30453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18827	0.6
58.00581	2.6
58.18924	0.6
59.21875	0.6
69.44615	3.6
69.45023	1.0
73.02940	1.4
81.03455	4.3
91.04922	0.5
96.67247	0.6
99.04526	4.8
105.29475	0.5
108.02172	3.7
108.85312	0.6
118.62334	0.5
122.03738	34.0
123.04031	0.9
124.01676	2.2
134.01059	0.6
135.04521	13.9
136.01648	7.6
149.06082	2.4
154.36403	0.6
177.09235	2.2
191.10812	2.1
204.09996	0.6
205.12251	1.2
206.65811	0.8
219.13924	0.9
273.18790	1.1
275.20139	32.6
276.20383	5.2
287.20123	2.2
291.19672	1.3
301.21704	15.4
302.22043	1.6
303.19632	5.5
304.20291	0.9
305.21228	3.5
313.21771	3.4
329.25125	0.7
331.22855	4.9
333.20758	0.9
339.23181	3.8
355.22803	0.8
357.24304	26.6
358.24500	4.0
375.25385	100.0
376.25742	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.3
57.03441	1.0
58.00586	0.7
59.01379	100.0
59.21099	0.5
60.01717	1.4
67.13065	0.4
71.01379	19.5
72.01759	0.5
72.99307	0.9
73.02952	6.3
83.01383	2.6
85.02950	9.6
87.00890	1.2
89.02449	7.7
95.01398	2.3
99.00895	1.9
101.02439	14.0
107.38615	0.5
113.02445	8.6
119.03495	2.3
125.02486	1.0
127.11308	1.0
143.03493	1.1
147.49620	0.5
159.02975	1.1
161.04565	8.6
166.99817	0.6
169.01399	1.1
169.44084	0.5
173.15504	1.9
190.02808	0.6
269.83786	0.5
317.19675	0.9
335.20721	20.4
336.21210	2.9
341.11462	0.5
374.04099	0.5
377.12497	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	377.2696
Annotation	Irisoquin A
Peak:m/z	Relative Intensity
50.77607	2.4
61.98833	10.1
65.00934	2.4
69.56732	5.2
69.57119	14.4
78.88772	2.7
98.19994	5.1
99.92581	4.9
108.02186	7.4
108.92815	2.6
121.02994	2.8
122.03748	29.5
124.01688	15.0
135.04509	22.3
136.01656	5.9
137.02412	2.7
219.13916	4.3
275.20102	4.1
277.17999	4.0
293.67529	2.7
303.19693	5.1
359.25909	100.0
360.26175	19.1
377.26953	33.1
378.27502	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	375.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78484	0.3
54.57583	0.3
59.01358	0.3
60.08104	0.3
60.32551	0.3
69.03450	0.5
69.44955	2.1
71.05011	1.7
73.76654	0.3
77.62991	0.3
81.03452	10.7
84.02161	1.8
88.59459	0.3
97.02949	0.5
99.04531	1.6
108.02178	1.8
121.02941	0.9
122.03733	25.1
123.00851	0.7
123.04057	0.9
124.01651	2.2
135.04518	20.7
136.01648	6.2
136.05341	1.6
149.06068	2.9
175.47182	0.3
177.09183	4.3
178.09500	0.3
183.20804	0.3
189.17290	0.4
191.10805	1.8
192.11337	0.3
205.12341	1.9
219.13869	3.7
220.14415	0.3
233.15295	0.5
259.16885	0.4
273.18542	0.9
273.58148	0.4
274.19421	4.3
275.20123	45.7
276.20505	7.4
313.21729	1.3
329.24921	0.5
331.22784	2.9
339.23236	1.2
355.22537	0.7
357.24313	6.2
358.24554	0.9
365.30826	0.4
375.25366	100.0
376.25687	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	375.2539
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
50.32185	0.3
54.03578	0.3
55.01862	0.4
67.88277	0.3
69.03463	0.7
70.81323	0.6
70.81657	0.7
71.05018	1.5
73.46008	0.3
81.03455	11.7
84.02161	1.5
97.02972	0.3
99.04508	2.1
108.02163	1.3
121.02931	0.6
122.03738	25.5
123.00907	0.4
123.04073	1.2
124.01654	2.3
135.04526	22.5
136.01660	6.1
136.05235	1.5
149.06073	2.7
170.89494	0.4
177.09195	5.1
191.10799	2.2
192.11592	0.5
205.12318	2.2
219.13884	5.0
220.14427	0.7
229.21173	0.3
233.15434	0.7
273.18750	0.6
274.19357	4.1
275.20142	49.8
276.20544	5.8
303.23102	0.6
313.21738	1.6
316.24545	0.4
331.22723	2.8
339.23285	0.9
352.09119	0.4
355.22757	1.4
357.24384	6.1
358.24719	1.2
375.25378	100.0
376.25714	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	375.2539
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
57.28309	0.5
59.01325	0.9
63.77661	0.5
69.29521	1.0
69.29918	4.5
91.52242	0.8
93.94055	0.5
108.02185	5.0
121.02883	0.7
122.03741	17.4
122.04601	0.7
123.03980	0.8
124.01607	1.1
135.04518	8.7
136.01678	3.2
149.05994	1.4
149.94250	0.6
177.09174	1.0
191.10751	1.0
205.12320	2.4
207.19632	0.5
219.13762	0.9
233.15384	0.8
237.27068	0.5
247.16910	1.8
289.18018	0.9
301.21661	1.6
303.23267	4.1
312.11566	0.6
315.23410	4.5
317.45297	0.6
329.24823	7.3
330.25168	1.0
331.26401	6.3
332.26657	0.9
339.23190	0.8
357.24326	73.2
358.24646	12.1
375.25385	100.0
376.25696	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	375.2542
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
57.03426	0.9
68.03939	0.8
71.27181	1.3
74.50207	0.7
81.03436	0.8
83.05026	2.0
91.70129	0.7
108.02176	8.5
109.67278	0.7
122.03749	40.7
123.04017	1.2
124.01652	3.9
135.04538	18.7
135.84924	0.8
136.01659	7.9
148.05267	1.1
149.06107	2.8
191.10776	2.4
202.04472	0.8
204.84210	1.2
205.12308	1.1
219.13829	2.3
231.13960	1.3
233.15485	6.8
235.13399	2.3
245.15494	4.6
247.17058	6.7
257.15497	1.3
261.14944	7.9
261.17499	0.9
261.18573	0.8
262.15604	1.9
263.16495	5.8
275.16525	17.3
276.17020	3.0
289.21759	2.7
291.19635	9.1
292.20135	1.6
301.21725	1.3
303.19867	1.5
303.23248	1.5
305.21210	3.7
317.21121	4.7
318.22198	1.1
329.24969	1.7
331.22852	4.5
339.23160	2.3
350.07419	1.0
357.24344	30.9
358.24716	4.4
375.25415	100.0
376.25726	14.5
393.57187	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2539
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
56.67748	1.6
57.03442	3.9
60.12537	1.6
68.56305	1.5
69.52042	11.7
95.01363	1.8
95.99738	1.7
108.02182	7.3
113.09753	3.3
116.07385	1.7
118.74973	1.6
122.03745	39.7
123.00883	3.1
123.04531	2.3
124.01653	16.4
135.04530	26.9
136.01662	10.2
138.03218	2.4
149.06120	2.9
151.04010	3.5
164.11055	1.8
191.10794	1.8
193.61726	1.7
231.13852	1.9
259.17041	6.5
275.16513	4.6
287.16449	5.3
325.03046	1.9
325.32965	2.0
357.24329	100.0
358.24652	13.3
375.25360	51.2
375.29880	3.4
376.25922	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	375.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33441	3.4
70.92262	6.1
70.92601	4.8
71.79202	3.3
112.15459	3.8
122.03719	19.8
130.86607	3.6
135.04544	27.3
136.01677	7.7
142.89746	3.5
147.06213	3.5
159.08493	3.8
161.06274	3.7
191.92188	3.7
222.17831	3.7
249.18555	3.3
291.09137	20.5
339.23273	100.0
340.23584	14.5
359.15341	29.9
360.15698	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	375.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37184	0.9
55.01873	7.7
55.42394	1.1
57.03444	4.7
58.00590	2.9
59.01381	67.0
69.03452	1.7
71.01384	100.0
71.52219	1.7
72.01722	2.3
72.99313	5.8
73.02946	35.6
75.00875	1.7
80.96547	1.5
81.03468	1.6
83.01389	18.4
85.02950	52.5
86.00114	2.6
86.03348	1.1
87.00877	4.1
89.02447	21.0
95.01385	7.6
97.02957	2.2
99.00892	16.5
101.02444	99.6
102.02777	3.0
107.37514	1.2
111.00869	3.1
113.02451	44.5
119.03503	6.5
121.67661	1.1
123.00900	2.2
125.02467	5.7
129.02002	2.2
133.06859	2.0
134.84872	1.1
135.06525	3.1
143.03510	5.1
159.02997	10.3
161.04561	45.0
162.04787	1.3
166.87820	1.1
169.01405	4.7
169.12354	1.3
183.13855	2.9
205.03471	2.7
214.20782	1.3
223.08049	1.6
227.03586	1.3
227.12862	3.2
284.03061	1.5
285.04013	2.3
299.04803	3.2
299.55014	2.6
333.18692	1.2
375.10547	2.3
375.19296	2.4
375.23706	23.7
375.27533	2.4
376.24158	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	375.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99102	0.6
59.01370	2.3
69.03439	0.7
71.05016	2.1
81.03455	13.8
84.02172	1.9
98.20667	1.2
99.04545	2.9
108.02165	1.3
120.21350	0.6
121.02952	0.7
121.10242	0.7
122.03739	26.1
123.04013	1.1
124.01659	2.4
135.04514	17.7
136.01654	6.9
136.04832	0.6
136.05296	0.7
149.06068	2.1
162.37381	0.5
164.47137	0.5
171.10226	1.8
177.09193	4.3
191.10747	1.5
199.07964	0.6
205.12302	1.9
216.66098	0.6
219.13838	4.1
233.15382	0.7
274.19385	3.4
275.20135	58.4
276.20483	6.2
293.21320	1.6
313.21716	2.1
315.19525	0.9
331.22858	3.8
339.23193	2.2
355.22800	1.8
357.24405	10.4
357.28598	0.5
358.24786	2.0
375.25385	100.0
376.25729	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2541
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
73.28818	0.9
86.51477	1.0
90.55869	1.2
102.50850	1.0
108.02177	11.8
121.02946	1.9
122.03745	51.1
123.00920	1.6
123.04091	1.1
124.01678	5.2
124.06776	1.1
135.04530	26.9
136.01653	10.2
149.06079	4.4
177.09259	2.4
180.77022	1.2
189.43950	1.0
191.10826	3.0
205.12247	1.7
219.13838	1.9
233.15451	10.3
242.53418	1.0
245.15431	4.2
247.16982	5.9
257.15488	2.5
261.14960	18.8
261.17856	2.0
262.15683	5.5
263.16547	8.6
264.16818	1.1
275.16541	27.7
275.19797	1.9
276.16779	4.5
277.79404	1.4
289.18079	3.3
289.21469	2.3
291.19629	4.4
303.19690	5.2
317.21335	4.9
318.21634	1.8
329.25046	1.6
331.22623	2.4
339.23425	2.6
357.24365	43.0
358.24765	7.6
375.25421	100.0
376.25681	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	375.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
56.16777	0.6
57.03443	0.8
58.00581	1.8
59.01380	45.5
60.01699	1.0
62.84899	0.8
64.29621	0.8
66.69724	0.7
68.62131	0.7
68.62492	0.7
71.01380	22.8
72.99315	2.1
73.02936	1.0
83.01395	1.7
85.02952	5.8
89.02441	19.8
95.01382	1.4
101.02441	12.8
102.02795	0.9
105.40472	0.8
113.02452	8.2
119.03508	7.6
195.13892	9.6
196.37782	0.8
213.14935	3.1
234.30608	0.8
286.34390	0.9
336.43164	0.8
375.20221	100.0
376.20615	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70037	5.2
71.49466	5.4
71.49901	6.6
90.34502	6.0
108.95456	6.8
115.21741	6.8
122.03738	25.2
135.04536	20.3
136.01668	7.2
227.33488	6.5
339.23285	100.0
340.23590	24.2
346.43698	7.0
375.29437	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	375.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
62.70037	5.2
71.49466	5.4
71.49901	6.6
90.34502	6.0
108.95456	6.8
115.21741	6.8
122.03738	25.2
135.04536	20.3
136.01668	7.2
227.33488	6.5
339.23285	100.0
340.23590	24.2
346.43698	7.0
375.29437	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	375.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43126	0.7
61.77069	0.7
64.19382	0.8
69.66689	4.5
74.99094	3.0
87.01029	0.7
98.19962	0.9
124.04926	0.9
125.72210	0.7
125.74216	0.8
132.03665	0.8
143.05350	0.8
159.08484	10.9
161.06424	2.5
192.98164	0.8
209.01291	1.7
215.51373	0.7
217.07253	1.8
277.07520	2.4
289.07526	2.1
291.09103	98.2
292.09180	14.9
331.06537	0.7
341.74231	0.8
342.87820	0.8
357.13809	2.4
359.15338	100.0
360.15506	19.6
371.87393	0.7
375.18390	6.2
376.18826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01713	1.5
71.00288	1.2
71.01387	2.0
89.02443	2.7
101.02444	1.3
107.91463	0.7
113.02467	0.9
119.03586	1.2
161.04620	0.7
169.01389	0.9
186.01324	0.6
265.87381	0.6
309.14227	0.6
316.30017	0.6
375.11349	0.8
375.27878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.3
57.03442	2.1
58.00596	5.0
59.01378	100.0
70.64075	3.7
71.01380	54.8
72.99320	5.9
73.02955	6.5
75.16165	1.3
83.01387	4.7
85.02946	14.1
86.57314	1.1
87.00904	2.9
89.02446	61.6
95.01389	3.8
101.02445	43.5
107.36845	1.2
113.02450	21.5
119.03501	35.6
120.32729	1.1
125.02405	3.5
131.03523	2.7
133.10236	8.3
143.03488	3.6
149.04517	2.2
161.04547	4.4
169.01462	2.6
177.09158	2.4
179.05608	6.8
195.10289	1.6
198.71231	1.2
200.97350	1.1
213.11412	1.4
307.18027	1.2
331.17685	2.0
357.00858	1.2
357.15533	5.8
375.16568	66.8
376.16980	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	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43832	0.7
72.71805	0.8
74.99072	2.6
98.20664	3.1
149.00854	1.1
159.08466	11.6
161.06389	4.2
209.01320	4.4
217.07248	1.8
277.07443	2.2
278.07864	0.9
289.07547	1.9
291.09091	98.2
292.09247	16.5
309.10498	1.1
323.44638	0.8
357.13599	2.3
358.13562	0.9
359.15332	100.0
360.15482	21.5
375.18427	5.7
375.25516	1.6
376.18445	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	5.2
57.03436	6.2
58.00585	3.3
59.01383	97.1
60.01702	1.6
60.64652	1.8
61.08035	1.5
71.01383	69.2
72.01730	1.9
72.99304	5.4
73.02959	13.0
82.94167	1.4
83.01397	7.5
85.02945	21.8
87.00867	8.1
89.01934	3.4
89.02447	44.2
93.03435	2.1
94.87837	1.6
95.01354	5.9
97.06625	1.7
99.00867	4.7
101.01797	3.1
101.02449	51.1
103.14014	1.6
111.00874	3.3
113.02451	25.6
119.03503	20.8
120.99653	5.7
121.67699	1.6
123.00894	2.4
123.08145	2.1
125.02433	6.5
131.03529	2.2
133.10252	2.2
135.11777	3.0
137.02461	3.0
143.03490	3.4
151.11292	2.0
161.04530	11.5
169.01453	3.6
169.12329	2.6
177.01900	1.7
177.09201	10.4
179.05569	5.2
195.10321	2.9
196.01236	8.0
197.02081	13.5
213.01480	11.0
213.11302	5.1
214.10329	1.7
227.12840	20.8
228.00172	2.9
228.13417	2.3
255.02562	3.0
255.08939	11.0
357.15533	31.2
357.19806	2.5
358.15765	3.7
375.06912	41.8
375.12161	6.9
375.16565	100.0
376.07275	2.5
376.16849	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	373.2382
Annotation	Proceragenin
Peak:m/z	Relative Intensity
53.50629	0.6
53.64089	0.7
59.01408	0.9
60.95245	0.6
61.84083	0.7
69.45145	2.1
69.45568	2.9
81.03494	1.2
82.60377	0.7
83.05054	1.7
97.06644	1.7
108.02175	11.3
109.03001	1.5
109.91612	0.6
110.06143	0.7
121.03018	3.0
122.03740	52.3
123.00912	1.6
123.04596	6.3
124.01662	5.0
127.06925	0.7
135.04527	20.8
135.05484	1.2
136.01660	13.3
136.02592	0.9
139.11273	7.3
143.50079	0.7
148.05371	1.6
149.06055	4.4
161.06087	1.4
165.12920	2.2
168.45941	0.7
171.47638	0.8
175.07730	1.2
177.09236	3.4
189.09222	3.3
191.10837	2.3
193.16087	1.0
205.12393	3.5
207.13931	0.9
231.14102	0.9
233.11919	2.7
233.19110	1.2
235.13441	1.4
245.15460	5.8
249.14896	1.1
257.69119	0.9
261.14926	1.1
273.14944	47.0
274.15372	7.1
275.16559	3.1
275.20340	1.1
301.21841	1.0
327.23300	2.2
329.21289	1.7
329.24808	8.5
330.25317	1.6
345.24347	3.4
355.22769	100.0
356.23123	15.8
373.23801	50.7
373.28574	1.8
374.24271	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	374.9923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68033	0.4
59.01381	75.9
60.01721	1.1
61.98826	2.5
69.72542	2.1
88.87095	0.5
90.97144	1.4
95.72066	0.4
98.20757	0.5
107.82523	0.4
118.96631	1.1
132.98203	2.5
156.99985	0.6
171.97336	1.1
174.99246	26.1
175.99617	0.7
201.02553	2.5
202.02777	2.6
203.02402	0.6
217.00296	100.0
218.00597	4.6
231.99617	0.6
314.98770	0.6
374.99216	6.0
375.99683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0568
Annotation	Mucic acid 1-methyl ester 2-O-gallate
Peak:m/z	Relative Intensity
55.01864	0.7
59.01378	3.1
68.35950	0.7
69.03466	1.0
71.01379	2.9
71.27679	1.0
72.99300	0.9
74.21871	0.5
75.00835	0.6
79.01907	0.6
81.03446	1.0
83.01398	1.7
92.51334	0.5
97.02918	0.6
98.00089	0.6
99.00861	1.2
101.02441	1.0
107.01386	4.1
111.00873	1.1
112.98830	1.8
115.00410	1.0
123.00874	1.3
124.98811	0.7
125.02449	52.2
126.02775	1.8
126.55647	0.5
129.01962	1.2
133.01486	0.8
139.00401	0.8
140.01135	0.8
145.01402	2.3
151.00374	1.3
153.05571	1.3
154.99883	3.4
159.02986	0.6
165.02019	0.8
168.00568	1.1
168.31587	0.6
169.01421	100.0
170.01778	4.6
173.00874	0.6
223.02516	1.9
261.26956	0.6
279.21658	0.5
357.04645	6.2
358.05017	0.8
375.09323	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2383
Annotation	Calcitroic acid
Peak:m/z	Relative Intensity
57.03454	2.1
62.91849	1.0
66.59985	0.9
70.81452	2.2
70.81805	1.4
75.45870	1.0
83.05013	1.8
93.09901	1.0
108.02180	10.3
118.97456	1.0
121.02970	2.6
122.03740	72.6
123.00866	2.3
123.04077	3.3
124.01664	4.8
135.04526	44.5
136.01659	13.1
136.05182	2.4
148.05263	1.9
149.06093	9.3
177.09171	4.8
191.10768	3.4
191.21289	1.1
205.12294	1.9
219.13902	1.5
233.15442	1.2
246.16194	1.6
259.17053	4.9
271.17059	3.3
273.18683	2.5
285.18604	1.2
287.20154	28.4
288.20529	6.5
289.21680	1.7
297.18588	1.9
299.20102	3.2
301.21683	4.0
302.21976	1.5
311.20151	3.5
312.20419	1.2
314.18884	1.5
315.19635	10.8
316.20331	4.9
317.21127	7.3
318.21414	1.7
327.23221	4.0
329.21194	74.2
330.21573	13.5
337.21771	2.9
355.22766	100.0
356.23105	15.1
373.23840	37.6
374.24182	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	373.2383
Annotation	Calcitroic acid
Peak:m/z	Relative Intensity
57.02001	0.3
57.82490	0.3
59.01401	0.8
69.03479	0.6
69.45145	2.7
75.33199	0.3
80.02679	0.5
81.03499	0.7
95.01424	0.4
95.05093	0.3
97.02961	2.2
98.03736	3.9
98.19898	0.6
108.02173	6.6
111.08228	1.1
121.02977	0.7
122.03741	24.2
123.00920	0.8
123.04155	0.7
124.01694	2.2
135.04529	15.8
136.01660	6.9
136.02608	0.4
136.04997	1.1
140.52678	0.3
141.56317	0.4
149.06062	2.1
153.02011	0.4
163.07637	0.4
177.09218	2.0
191.10750	1.6
205.12366	1.4
219.13951	1.1
233.15460	2.3
245.15417	0.9
247.17052	1.3
248.13152	0.4
257.15533	0.6
259.16992	1.8
260.17880	1.5
261.14957	7.3
261.18036	0.5
262.15576	2.6
263.16541	1.5
273.18610	0.8
275.16519	1.9
275.20148	1.4
287.16528	0.6
291.79218	0.4
299.20169	1.0
301.21808	1.4
311.20169	0.7
327.23230	4.2
328.23535	0.6
329.21243	3.5
330.21704	0.6
337.21786	1.0
345.24435	0.5
355.22763	100.0
356.23108	17.4
373.23798	22.5
374.24170	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	373.2382
Annotation	Corymbi-7,13E-dienolide
Peak:m/z	Relative Intensity
54.00225	1.2
57.03433	2.0
67.05520	1.7
69.99131	5.7
69.99453	1.5
75.58013	1.2
91.05540	3.9
97.06586	1.9
98.20694	1.6
108.02189	13.6
109.06570	9.5
111.08151	9.5
121.02972	2.0
122.03739	82.5
123.03989	2.5
124.01659	6.1
135.04521	42.4
136.01665	17.5
148.05273	1.7
149.06093	8.1
166.01611	1.5
171.78531	1.4
177.09229	3.9
191.10796	3.8
205.12323	4.4
219.13904	2.3
233.15434	17.2
234.15692	1.9
245.15492	2.7
246.15982	1.4
247.17070	8.4
259.13321	1.7
259.17007	4.6
261.14941	72.7
262.15610	28.6
263.16489	71.4
264.16882	6.9
275.16501	18.8
276.17032	3.0
277.18094	11.6
287.16797	2.7
287.20160	13.1
291.16211	2.6
299.20282	1.9
299.24289	1.8
301.21674	2.0
311.20203	1.9
315.19623	5.7
317.21149	2.6
327.23282	12.2
328.23764	3.0
329.21249	24.2
330.21710	3.5
355.22760	100.0
356.23093	19.7
373.23807	83.4
373.28662	3.0
374.24149	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	373.2381
Annotation	Calcitroic acid
Peak:m/z	Relative Intensity
50.02522	0.2
55.19118	0.2
57.74562	0.2
66.31423	0.3
69.03460	0.5
69.33724	0.2
69.49597	1.6
77.56009	0.3
77.95367	0.3
79.13405	0.2
81.03448	0.6
84.26911	0.2
95.05030	0.7
97.02940	2.7
98.03733	1.7
98.20626	0.4
108.02166	7.0
121.02961	0.9
122.03737	20.6
123.00858	0.6
123.04076	0.8
124.01659	1.7
133.53810	0.3
135.04520	12.3
136.01663	5.4
136.05193	0.6
149.06073	2.2
177.09169	1.8
191.10756	1.7
205.12267	1.5
219.13943	0.8
233.15457	0.7
245.15520	0.6
246.15974	0.3
249.82155	0.2
251.73041	0.3
259.16916	0.5
260.17795	1.2
273.18597	0.4
274.19415	0.4
275.20129	1.8
278.91583	0.3
289.42471	0.3
301.21832	0.6
320.00537	0.3
325.21701	0.5
327.23318	3.6
329.21201	1.4
329.24686	0.4
337.21768	0.4
355.22757	100.0
356.23117	16.8
356.26587	0.3
373.23770	4.7
374.24191	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
53.77605	1.3
59.01380	100.0
60.01704	1.8
60.48321	1.4
71.01388	3.7
71.51514	1.7
71.57447	1.3
73.02955	1.4
85.02977	2.0
89.02431	1.7
101.02449	2.7
109.02879	1.9
113.02457	1.8
115.60377	1.4
120.99634	1.7
133.02921	1.3
137.02446	1.9
138.93997	1.3
191.63681	1.4
225.73804	1.5
229.80402	1.5
254.57352	1.4
258.06180	2.0
285.11435	3.1
295.06216	1.4
329.11206	2.6
332.55630	1.6
373.09717	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	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
68.12868	1.4
71.01389	7.1
71.51658	2.1
72.72751	1.1
73.02944	3.1
85.02956	5.2
87.00877	6.2
89.02451	1.4
93.03448	2.4
101.02451	4.1
113.02443	2.8
122.03722	3.6
123.02747	18.4
137.02444	4.3
149.04349	1.2
151.04044	1.6
152.03531	46.8
156.10039	1.2
161.04604	1.6
249.06073	2.4
282.43268	1.5
373.09814	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	373.2384
Annotation	CHEBI:69384
Peak:m/z	Relative Intensity
50.69894	0.3
59.01373	0.7
79.95000	0.4
89.67693	0.4
98.19874	0.8
98.65784	0.4
108.02171	1.3
108.42664	0.4
121.02932	0.4
122.03748	23.8
123.00896	0.5
123.04070	0.9
124.01660	2.2
132.10141	0.3
135.04517	10.8
136.01653	5.3
136.04988	0.4
149.06078	1.7
155.13565	0.4
177.09175	1.9
191.10808	1.8
205.12323	1.9
219.13907	1.1
229.10133	0.5
233.15289	0.6
261.18759	0.5
277.17972	0.5
329.24844	100.0
330.25177	15.9
355.22733	4.1
356.23337	0.9
373.23798	6.0
374.24152	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	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18381	0.5
57.03456	0.7
59.01379	100.0
60.01725	1.2
61.20216	0.7
69.36084	1.3
69.36484	3.7
71.01382	13.0
72.99290	0.7
73.02955	5.4
83.01400	2.4
85.02958	5.5
87.00896	2.4
89.02450	4.5
95.01392	1.0
99.00896	1.8
101.02438	9.4
113.02444	4.2
119.03497	2.9
124.54058	0.5
125.02498	0.8
131.03534	2.6
139.38089	0.6
142.35822	0.5
143.03511	1.0
151.00778	0.6
154.39854	0.5
159.03049	1.4
161.04562	5.8
203.05659	1.0
221.06639	5.9
313.16791	0.9
331.17517	3.1
373.26184	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1865
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
54.82753	0.3
55.01866	0.8
57.03439	0.8
59.01380	100.0
60.01709	1.1
67.10145	0.3
71.01382	8.2
73.02946	2.6
76.26130	0.3
81.37451	0.3
81.41167	0.3
82.60909	0.3
83.01406	1.1
85.02952	3.8
89.02442	3.3
89.02885	0.3
95.01396	0.6
99.00911	0.9
101.02438	7.1
104.61402	0.3
111.00903	0.3
113.02451	3.4
119.03536	1.3
121.30359	0.3
123.51655	0.3
125.02466	0.5
143.03497	1.0
159.03033	0.5
161.04584	3.7
173.78409	0.3
203.29254	0.3
285.04135	0.3
286.04492	0.6
294.98190	0.4
313.16599	0.4
331.17596	9.3
332.18054	1.2
373.18616	6.5
373.23151	0.5
374.19077	0.7
386.48630	0.3
398.76834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19416	0.4
55.01879	0.6
59.01381	100.0
60.01719	1.0
65.74474	0.4
71.01381	6.7
73.02960	2.8
83.01407	1.3
85.02954	3.4
89.02451	3.1
98.20775	1.0
98.50101	0.4
99.00920	0.9
101.02444	5.6
113.02436	4.0
119.03538	0.9
135.98389	0.7
143.03561	0.5
161.04626	1.7
210.06886	2.1
211.07555	0.6
246.40858	0.4
295.92978	0.4
331.17670	0.6
364.69763	0.5
373.18317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
54.56262	0.6
55.01882	3.3
57.03437	1.9
58.00586	1.3
59.01379	49.6
59.17207	0.5
69.41100	4.3
71.01380	22.5
72.19931	0.5
72.24360	0.5
72.99297	1.7
73.02549	0.8
73.02943	9.0
75.00865	0.8
83.01379	6.2
85.02948	12.9
86.00097	1.6
87.00861	1.6
89.02453	8.7
95.01387	1.9
97.02915	0.8
98.19909	1.2
99.00883	2.4
100.98316	0.6
101.02439	19.7
109.32848	0.5
113.02456	8.9
119.03511	3.8
120.43008	0.5
136.01561	0.5
143.03540	0.6
159.03004	0.6
161.04533	2.7
165.74326	0.5
172.91901	0.5
177.24651	0.5
182.03610	0.5
190.01913	0.5
193.12263	1.0
211.13409	0.7
331.17715	1.5
332.17850	0.6
373.18655	100.0
374.19012	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91020	0.4
55.01868	0.9
57.03443	0.7
59.01380	10.6
61.56141	0.4
65.00304	0.7
67.01884	1.1
69.03448	0.6
69.26804	3.7
71.01382	5.4
72.99287	1.1
73.02950	1.7
79.01882	0.6
79.28529	0.4
79.73243	0.4
83.01390	1.8
85.02947	3.6
86.03259	0.5
87.00854	0.5
89.02453	1.2
95.01396	3.2
97.02988	0.5
99.00862	0.9
101.02446	4.4
106.05524	0.4
107.01395	3.9
107.04990	0.4
110.00137	0.5
111.00874	2.8
113.02451	2.1
123.00887	15.5
124.01656	1.3
125.02449	13.6
127.00304	0.9
136.98846	1.9
138.63113	0.4
139.00381	7.0
140.01160	4.4
141.01907	1.5
148.98766	0.8
150.99199	0.8
151.00371	14.1
151.01579	0.7
151.04012	4.2
152.00731	0.5
153.02011	0.6
154.26482	0.4
161.04459	0.6
163.04070	0.4
167.03487	0.8
168.00630	5.5
169.01425	15.3
170.01750	0.9
176.98384	0.5
178.99889	0.5
181.05058	0.5
194.99477	0.8
222.98772	0.5
313.05713	0.7
327.03479	0.7
355.02927	2.0
373.04718	3.3
373.11362	100.0
374.11737	11.9
399.37390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1137
Annotation	Dercitamide
Peak:m/z	Relative Intensity
51.71333	0.4
55.01862	0.8
57.03451	0.7
59.01381	4.5
61.48662	0.4
67.01893	0.6
71.01381	5.1
72.99286	0.8
73.02940	1.8
75.85719	0.4
79.01880	0.8
83.01368	1.6
85.02955	2.5
86.00069	0.5
89.02440	1.2
95.01394	2.9
97.02946	0.9
98.20765	0.7
99.00895	0.8
101.02438	4.2
107.01392	3.3
110.00066	0.4
111.00883	3.0
113.02446	1.6
123.00002	0.9
123.00887	15.3
124.01698	1.9
125.02457	12.7
127.00341	1.0
136.98820	2.6
139.00369	6.2
140.01173	4.5
141.01912	1.4
151.00356	14.1
153.01962	1.2
161.04539	0.5
168.00642	5.5
169.01422	14.4
170.01746	0.9
176.98204	0.4
178.99843	0.5
180.48723	0.4
181.05104	0.6
194.99368	0.9
221.10358	0.7
221.48317	0.4
222.98828	0.5
228.99486	0.5
277.71759	0.4
313.05643	0.7
355.03189	2.0
373.03845	3.1
373.11374	100.0
374.11710	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	373.1865
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01873	1.4
57.03452	1.6
59.01379	100.0
60.01717	1.3
61.98835	1.1
69.03432	0.5
71.01380	20.8
71.05034	1.4
71.52673	0.7
72.01728	0.7
72.99319	1.5
73.02942	6.3
83.01395	2.4
85.02950	8.4
87.00896	1.6
89.02444	8.7
89.02947	0.9
95.01408	1.9
97.02951	0.7
99.00874	2.4
101.02443	14.0
113.02454	7.9
119.03482	2.8
123.00858	0.6
123.21882	0.5
125.02486	1.4
143.03571	1.2
159.03023	0.9
161.04546	7.6
169.12384	0.7
179.05592	0.7
200.42450	0.6
211.13457	0.6
229.04662	0.5
279.29102	0.6
297.04205	1.0
313.16599	1.2
331.17645	5.7
332.17920	1.1
341.03149	2.7
373.09268	0.9
373.18640	1.4
373.26038	3.4
374.19809	1.3
399.16412	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.259
Annotation	3-Oxo-chol-4-en-24-oic acid
Peak:m/z	Relative Intensity
59.01361	1.4
63.20691	0.9
64.32790	0.8
64.67529	0.9
67.68641	0.8
69.48755	2.1
69.49158	3.9
98.19991	1.7
102.79028	0.9
108.02142	1.4
109.02896	1.0
121.02911	1.4
122.03745	46.1
123.00835	1.1
123.04052	2.2
124.01658	4.0
128.23059	0.9
135.04523	36.0
136.01659	12.4
136.04826	1.1
149.06081	7.8
176.21446	0.9
177.09201	4.1
191.05531	0.9
191.10771	3.0
205.12325	2.3
219.13858	1.2
297.18661	1.3
311.20251	2.1
313.21722	2.4
335.25616	1.6
337.21713	1.9
339.23260	100.0
340.23569	16.1
341.24820	1.6
371.25891	82.7
372.26193	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	371.259
Annotation	3-Oxo-chol-4-en-24-oic acid
Peak:m/z	Relative Intensity
59.01358	0.9
59.49972	0.7
70.05941	0.7
71.33646	1.1
77.74007	0.6
108.02174	1.2
121.02944	1.2
122.03741	44.3
123.00858	1.7
123.04023	1.1
124.01661	4.4
135.04527	38.9
136.01662	11.3
136.04836	1.4
141.63577	0.7
148.05301	1.2
149.06097	7.2
163.07588	0.8
177.09233	5.3
191.10825	3.3
205.12386	1.5
218.13113	0.8
219.13940	1.0
261.18472	0.8
273.18719	0.8
283.16846	1.4
297.18634	0.8
299.20438	1.0
311.20279	1.6
313.21802	6.5
314.22000	0.9
323.19858	1.2
337.21747	2.4
339.23267	73.4
340.23636	11.7
341.24869	1.8
354.22040	0.9
356.23480	2.2
362.69852	0.8
371.25903	100.0
372.21762	1.4
372.26196	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.6
59.01882	1.0
69.28979	5.8
69.29394	2.6
79.94447	1.0
81.19550	0.9
98.04453	0.9
98.19911	2.4
108.02169	1.8
109.02921	1.1
111.62175	1.1
121.02931	1.2
122.03748	40.7
123.00903	1.7
124.01655	3.6
124.03477	1.1
135.03503	1.6
135.04533	31.2
136.01695	10.3
136.04936	1.2
149.06079	5.0
164.08868	1.1
177.09258	2.8
184.99339	1.1
185.01375	1.0
187.24251	1.2
191.10797	3.3
192.65224	1.0
205.12408	1.8
251.54501	1.0
253.04726	1.1
263.16537	8.4
272.83401	1.1
283.17038	1.4
337.21777	3.7
339.23291	100.0
340.23627	17.0
341.24991	1.4
356.23767	1.7
371.25909	56.5
372.26309	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	371.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62001	0.8
59.01376	1.6
67.01852	1.5
69.03427	1.3
69.45837	7.3
81.03419	1.5
81.07143	0.9
88.71907	1.0
97.02956	1.1
108.02172	12.5
109.02953	3.2
109.06557	1.3
121.02921	1.9
122.03735	56.8
123.00854	1.6
123.04598	10.4
124.01676	5.2
135.04523	32.2
136.01662	13.6
136.05188	0.8
137.09718	2.8
147.29047	1.0
148.05309	2.8
149.06096	8.1
151.07678	1.6
155.08322	1.0
161.06094	1.4
163.07739	1.2
163.11276	2.1
165.12892	1.4
175.07648	3.3
177.09169	2.9
179.10690	1.7
187.07611	2.0
189.09213	2.1
191.10760	4.0
191.14397	3.4
205.12398	5.7
231.17511	3.4
233.11792	5.1
245.15430	4.2
249.14888	8.0
259.13483	1.2
260.13556	1.2
261.14896	3.4
273.14938	25.7
274.15414	3.0
275.16440	2.3
286.05945	0.9
289.14478	4.0
311.20157	1.2
325.21933	3.0
327.23282	21.9
328.23697	3.0
343.22733	2.0
344.72516	1.1
351.19739	3.2
353.21194	100.0
354.21515	16.1
371.22256	42.8
372.22665	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	371.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
69.44753	0.4
85.02943	0.4
99.94062	0.4
108.02161	1.2
121.02962	0.6
122.03739	27.0
123.00857	1.0
124.01683	2.6
135.04526	20.5
136.01662	6.9
136.04935	0.6
137.02095	0.5
148.05185	0.6
149.06052	3.5
161.77496	0.4
177.09151	2.5
191.10799	2.2
205.12337	1.0
219.13774	0.6
297.18561	1.2
299.20078	0.6
311.20099	1.1
322.23358	0.5
325.21658	5.9
326.21982	0.7
327.23267	100.0
328.20285	0.7
328.23624	15.2
333.24387	0.7
353.21094	1.0
371.22122	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2075
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.01878	9.1
57.03449	8.4
58.00596	2.7
59.01379	71.4
60.01712	0.7
68.99818	0.4
69.03455	1.2
69.44009	0.6
69.44424	1.8
71.01382	100.0
72.01730	2.3
72.99304	3.4
73.02946	32.1
73.77066	0.4
74.03301	0.9
75.00867	1.7
81.03453	0.7
83.01386	16.4
84.01710	0.4
84.02177	0.6
85.02951	47.6
86.00107	0.8
86.03294	1.2
87.00880	4.1
89.02445	29.0
89.69437	0.4
90.02788	0.8
95.01388	6.9
97.02958	1.9
99.00883	13.3
101.02443	81.3
102.02774	2.1
103.03998	0.4
111.00896	1.4
113.02453	40.9
114.02783	1.2
115.04005	0.4
119.03500	8.7
123.08152	0.7
125.02428	1.8
129.01929	1.9
131.03526	2.0
136.18333	0.4
137.09727	1.5
141.01933	0.4
143.03484	5.3
149.04523	0.8
149.09734	0.6
159.02982	10.1
160.03369	0.4
161.04553	45.1
162.04901	1.4
165.09291	0.6
165.12813	0.7
179.05617	1.3
179.10774	1.0
186.27216	0.4
205.03546	0.7
209.08186	0.4
209.15463	9.8
210.15833	0.5
371.20731	37.0
372.21082	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2227
Annotation	Xysmalogenin
Peak:m/z	Relative Intensity
59.01373	0.9
59.91631	0.5
69.45222	0.9
69.45627	2.7
71.05017	1.3
81.03452	1.1
83.05020	0.6
85.02940	0.6
98.03728	1.0
101.02430	0.7
108.02171	4.8
109.06596	7.1
111.04534	1.6
121.02976	0.9
122.03743	29.0
123.00889	0.9
123.04543	1.5
124.01653	3.2
127.07635	2.0
135.04532	17.2
136.01669	8.9
136.05151	0.6
145.06631	1.1
148.05350	0.9
149.06044	3.0
161.04628	0.6
205.12346	0.8
207.13892	3.1
218.13148	0.7
219.13690	0.6
231.13832	3.2
232.14500	0.6
233.15256	0.9
243.13884	1.7
244.14575	0.8
259.17007	5.5
299.16525	1.3
311.20044	0.6
313.18033	1.5
315.19675	1.7
325.21707	1.3
351.19632	5.0
352.19839	0.7
353.21216	100.0
354.21567	17.6
371.22186	9.3
372.22620	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	371.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17924	0.6
55.01626	0.8
55.01881	7.8
57.03446	8.0
58.00589	2.0
59.01378	68.7
71.01379	100.0
72.01707	1.6
72.99312	2.8
73.02941	30.3
75.00872	1.9
83.01385	16.0
84.16403	0.7
85.02946	46.1
86.03296	1.4
87.00880	4.5
89.02439	27.3
95.01381	6.4
97.02952	2.0
99.00876	14.0
101.02440	80.8
102.02777	1.9
110.91316	0.7
111.00908	1.3
113.02445	36.8
114.02779	1.7
119.03504	11.3
123.08204	0.8
125.02407	2.1
129.01910	1.9
131.03470	1.4
137.09734	1.0
143.03519	4.9
159.02979	10.8
161.04546	40.8
162.04916	2.0
171.69052	0.7
179.05576	1.3
209.08186	0.9
209.15439	9.5
210.15790	0.9
229.32637	1.1
276.35687	0.9
322.82999	0.7
371.20703	32.7
372.20917	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	371.1345
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
50.75206	0.4
52.63319	0.3
55.36393	0.4
59.01369	0.7
61.82875	0.3
69.53651	0.3
69.54001	2.4
71.01385	0.4
71.48949	0.4
85.02982	0.4
95.01376	0.5
98.20618	0.8
99.13254	0.3
108.02166	10.1
109.03003	0.7
111.04528	2.7
121.02943	2.3
122.03745	4.3
131.04939	0.6
135.04489	1.4
135.08191	0.8
136.05283	0.6
140.98927	0.4
145.06625	0.5
147.08104	2.4
149.06107	1.0
151.07683	0.5
163.07646	2.5
164.08423	6.5
165.09203	39.0
166.09514	3.0
173.05952	0.8
179.07140	0.9
189.05592	1.8
191.03510	0.7
191.07137	21.0
192.07552	1.3
209.08182	100.0
210.08530	6.7
371.13455	15.8
371.18173	0.7
372.13766	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	371.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.57280	0.4
71.01386	0.9
85.02963	0.5
93.03461	0.4
108.02181	12.6
109.02984	0.7
111.04532	3.1
121.02964	3.0
122.03740	4.6
123.04606	0.7
135.04523	1.5
135.08205	1.0
136.05386	0.4
137.06065	0.9
146.76215	0.5
147.08167	2.4
149.06076	1.0
151.07640	0.6
158.93163	0.5
163.07689	2.7
164.08420	7.9
165.09201	43.2
166.09544	2.9
173.06061	1.3
176.04810	0.5
179.07133	1.4
189.05595	2.0
191.07127	22.1
192.07463	1.7
208.07458	0.7
209.08183	100.0
210.08534	7.4
264.89011	0.5
303.05685	0.4
303.66660	0.5
357.84155	0.5
371.13467	13.5
371.18127	0.8
372.13907	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	371.1347
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
57.03438	1.3
59.01376	1.3
62.60627	0.4
65.42189	0.4
70.77003	0.3
71.01369	0.9
71.27850	0.7
81.03461	1.5
81.88311	0.3
91.05512	0.5
93.03452	0.6
107.05036	2.2
111.04530	0.7
113.71677	0.3
121.10247	0.7
122.03727	0.5
123.04552	0.8
123.08164	19.3
124.08492	0.7
137.02440	1.2
147.08174	6.3
148.08493	0.5
149.06081	3.7
151.04002	6.1
165.00116	1.2
165.09207	9.9
166.09518	0.6
176.36797	0.3
185.55646	0.3
191.07146	17.2
192.07466	1.4
209.08197	100.0
210.08549	7.1
230.49100	0.3
371.13419	11.6
372.13687	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1345
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
51.28766	0.3
54.62972	0.3
58.47654	0.3
59.01393	0.4
61.83738	0.3
64.74886	0.3
83.05038	0.4
87.17840	0.3
98.19830	0.5
104.15446	0.3
108.02232	1.7
108.02825	0.3
109.02972	1.0
121.03011	0.4
122.03746	12.4
124.01673	1.1
127.70634	0.3
135.03505	0.5
135.04527	8.2
136.01668	3.4
147.08122	0.7
149.06152	0.6
161.06125	0.5
163.07631	1.0
165.09218	43.2
166.09560	2.3
173.06079	0.6
179.10773	0.7
189.05621	0.9
191.07143	51.3
192.07477	3.5
209.08191	100.0
210.08527	7.1
256.06210	0.3
314.81476	0.3
349.36334	0.4
371.13431	7.1
372.13770	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	371.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03453	0.9
59.01380	100.0
60.01723	1.2
63.86518	0.6
64.33862	0.7
69.03462	0.8
69.40456	2.1
69.40881	2.3
71.01379	13.7
72.99329	0.8
73.02953	4.9
83.01394	2.2
85.02948	5.8
87.00887	1.0
89.02465	2.1
95.01405	1.1
95.78003	0.6
99.00893	1.9
101.02438	7.5
113.02450	5.7
119.03497	1.1
134.03745	1.0
147.08141	3.0
149.06078	1.1
149.09738	12.2
150.10019	0.8
159.03029	1.2
161.04550	6.9
329.16058	6.0
330.16086	0.7
348.63321	0.6
365.96722	0.7
371.20648	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	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.9
57.03447	18.6
59.01356	3.6
64.76946	0.8
67.01881	1.4
68.99790	1.3
69.63834	5.1
71.01385	7.8
72.99302	1.8
73.02941	3.0
75.00852	1.7
83.01380	9.9
84.02158	2.5
85.02948	100.0
86.03291	1.9
87.00852	1.2
89.02402	0.9
98.19947	0.9
99.00864	1.7
101.02448	6.5
107.05041	1.4
107.25396	0.9
111.00879	30.2
119.05023	10.6
129.01947	39.3
130.02315	1.8
145.02892	1.5
145.06557	2.4
147.02928	1.4
161.04530	2.1
163.04007	10.4
163.07628	1.1
177.03922	1.0
187.02356	1.5
189.05548	2.5
191.05707	1.1
205.03535	23.6
207.06630	3.3
223.04573	39.3
224.05069	1.8
244.38174	0.8
369.12268	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1188
Annotation	sinapaldehyde glucoside
Peak:m/z	Relative Intensity
55.01876	3.2
57.03447	8.5
59.01376	3.2
60.12581	0.9
63.88105	0.9
65.17723	0.9
67.01913	1.2
69.03471	1.5
71.01391	6.5
72.99294	1.7
73.02949	2.2
75.00883	1.2
83.01378	6.1
85.02950	50.2
86.03308	1.3
87.00887	2.7
89.02448	2.2
93.03460	9.3
95.05029	2.3
96.50967	1.1
99.00874	22.9
101.02435	3.6
105.84802	1.0
107.05031	42.5
108.05376	2.1
111.00882	13.4
111.04543	1.1
113.02484	1.2
119.05032	10.0
121.02956	3.1
125.02447	1.3
129.01942	17.7
145.02914	1.7
145.06505	1.5
147.03011	1.3
147.04510	2.7
161.04611	1.2
163.03984	4.2
163.07651	24.7
164.07991	1.1
189.05591	5.9
191.05612	34.7
192.00732	1.8
192.05853	2.0
205.03503	12.1
207.06616	100.0
208.06972	7.9
223.04590	27.6
223.06778	1.5
224.04964	2.1
337.09363	2.0
369.11923	24.4
370.12177	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.207
Annotation	CYlindrol B
Peak:m/z	Relative Intensity
51.76973	0.9
52.03703	0.8
61.86945	0.9
63.27734	0.8
64.51478	0.8
71.05020	18.5
71.49729	1.6
81.03464	2.2
83.05027	1.8
93.03455	1.6
95.01411	0.9
95.05041	5.7
107.05007	1.5
108.02184	7.1
109.02982	2.4
109.06601	5.9
111.04535	1.1
121.02927	1.4
121.06602	2.5
122.03741	36.2
123.00913	1.2
123.04589	5.8
124.01659	3.6
135.04535	21.2
135.08220	1.0
136.01668	10.1
136.04971	0.9
147.08145	1.7
148.05313	2.2
149.06093	3.1
151.13062	0.8
161.06065	2.0
165.09225	1.9
175.07547	1.4
175.11234	2.2
189.09111	1.5
191.10640	1.0
201.09239	1.5
205.03441	1.0
205.12280	1.6
217.12289	1.3
257.15530	1.3
261.15018	0.9
269.15216	0.9
285.18674	1.4
287.16473	1.6
297.15009	8.9
298.15292	1.8
309.18607	1.8
311.16211	1.6
313.18146	8.7
314.18741	1.1
323.20261	1.5
341.21170	2.8
351.19647	71.4
352.19983	10.2
369.20685	100.0
370.21021	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2432
Annotation	3-Oxochola-4,6-dien-24-oic Acid
Peak:m/z	Relative Intensity
73.28192	0.2
80.02648	0.4
81.03455	0.8
87.82211	0.3
108.02171	19.8
109.02408	0.4
111.74433	0.3
119.05022	0.7
121.02943	0.7
122.03738	15.2
123.04006	0.7
124.01644	0.6
135.04495	1.9
136.01656	1.9
146.82672	0.3
149.06068	0.3
163.11250	1.0
219.13841	0.5
257.18982	0.3
269.51468	0.3
287.20163	0.5
313.25256	1.0
323.23969	0.3
333.24423	1.4
334.24387	0.3
341.24893	1.7
351.23294	0.7
369.24304	100.0
370.24631	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.01387	1.8
64.79675	0.3
67.01886	0.9
69.03464	0.4
69.70317	1.7
71.01385	1.9
73.02971	0.5
80.94677	0.3
81.03468	0.5
85.02946	7.3
85.03463	0.4
85.46124	0.3
87.00872	4.1
93.03455	6.2
93.04015	0.4
97.22956	0.3
98.19922	0.3
101.02475	0.7
107.12361	0.3
108.02241	0.4
109.02958	1.3
111.04523	1.3
125.02474	0.4
127.03989	1.6
129.01936	0.6
133.02902	0.8
135.04523	4.8
136.01665	1.0
137.02406	1.5
151.03969	0.8
161.02455	3.2
163.07843	0.3
165.09207	1.3
169.01459	0.6
171.02995	0.5
173.04544	2.8
179.03471	0.9
191.05614	100.0
192.05956	5.4
194.57506	0.3
209.08168	2.9
225.05017	0.4
243.44740	0.3
349.57147	0.3
353.08725	3.5
354.09039	0.4
371.09793	13.6
371.13300	0.6
372.10046	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	367.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.6
57.03440	3.6
58.83571	0.8
58.97459	0.8
59.01377	17.1
67.14272	0.7
69.03466	0.9
71.01381	44.9
72.01712	1.2
72.99299	0.8
73.02946	11.1
83.01391	5.8
85.02953	19.2
87.00874	13.6
87.55995	0.7
89.02451	11.3
95.01397	3.6
97.02979	1.2
98.19903	1.5
99.00876	6.2
101.02441	23.1
102.23419	0.8
111.00853	1.3
113.02451	20.2
114.02741	1.1
114.74802	0.7
119.03490	4.4
123.08158	1.1
125.02457	1.4
129.01924	1.7
143.03502	2.5
149.09680	3.1
159.02966	3.4
161.03285	1.0
161.04572	16.6
161.09688	1.5
169.01422	1.4
173.09702	2.2
175.11301	10.4
177.12871	6.5
183.02953	1.6
187.11278	7.2
189.09077	0.9
200.46991	0.8
201.09279	1.0
203.10803	1.5
204.11533	14.8
204.27742	0.8
205.12331	100.0
206.12665	8.1
215.85411	1.0
219.10153	1.0
219.13791	0.8
229.12315	3.4
247.13408	7.5
259.13391	2.9
277.14380	1.3
370.52618	0.8
390.85825	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.264
Annotation	Unknow
Peak:m/z	Relative Intensity
66.27501	0.7
86.69936	0.7
90.64040	0.6
97.69053	0.7
98.20764	1.1
133.06596	10.0
142.91078	0.6
149.09714	87.9
150.10017	5.1
191.97884	0.7
194.09595	1.0
205.15964	50.1
206.16339	3.8
228.98341	0.8
295.16949	4.0
328.16760	2.7
348.91513	0.7
367.26392	100.0
368.26749	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2642
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
54.01820	0.7
56.72483	0.7
61.98841	0.9
67.43633	0.7
74.57850	0.6
87.52705	0.8
107.05025	8.0
133.06596	2.3
149.09718	81.2
150.10075	4.7
205.13976	1.1
205.15968	78.0
206.16321	8.0
367.26410	100.0
368.26761	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.3
57.03449	18.7
57.70472	0.9
59.01369	2.5
67.01875	1.0
68.35554	1.1
70.96626	1.0
71.01378	8.1
71.20360	2.1
71.20696	1.4
72.99308	1.6
73.02948	2.4
75.00874	2.2
80.84217	0.9
83.01376	10.3
84.02146	2.2
85.02950	100.0
86.03259	2.5
89.24833	1.0
101.02465	5.4
104.71954	1.0
111.00875	28.9
112.32994	1.0
119.05010	11.4
129.01939	35.0
144.88434	1.0
145.02951	1.8
145.23932	1.0
147.02898	1.5
161.04521	2.6
163.04005	8.4
205.03549	22.5
206.04008	1.2
216.10985	1.3
223.04578	46.7
224.04872	2.8
242.86140	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	369.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17143	1.3
55.01882	4.2
57.03454	16.8
59.01382	4.7
67.01884	2.6
71.01390	8.2
72.99323	2.6
73.02939	1.9
75.00887	2.9
75.71677	1.1
83.01388	8.7
84.02150	2.1
85.02956	90.0
86.03277	1.4
87.00867	1.6
94.29207	1.2
95.81297	1.3
101.02442	5.3
104.39626	1.2
111.00884	32.4
117.03396	1.3
119.05045	6.1
129.01956	32.4
130.26744	1.1
147.03032	1.9
152.10764	1.3
161.04616	1.6
163.04010	5.7
187.02480	1.3
196.95732	1.2
205.03566	32.9
223.04604	100.0
224.04852	4.8
353.52264	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	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.0
57.03444	13.6
59.01371	3.7
65.99883	1.2
69.29607	11.1
71.01372	8.3
72.99328	1.8
73.02933	2.8
73.76040	1.4
75.00872	3.4
83.01387	9.1
84.02148	2.1
85.02947	88.0
86.03303	2.8
87.00871	2.0
101.02443	8.7
111.00880	34.4
111.01649	1.8
119.05002	7.2
129.01936	29.1
147.02965	3.1
148.16257	1.2
155.85686	1.4
161.04579	3.0
163.04044	5.3
187.02460	2.6
196.59134	1.4
205.03525	31.3
206.03877	1.9
220.48486	1.3
223.04567	100.0
224.04816	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	367.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59215	18.3
55.72847	17.0
59.01376	75.4
61.98830	29.4
64.62977	17.8
69.48744	100.0
69.49149	32.0
71.01383	21.5
101.02427	18.6
124.75469	18.7
229.00496	21.6
233.00914	25.8
253.25346	20.3
282.37881	23.1
366.03732	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	367.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76302	2.1
50.84201	1.9
59.01375	100.0
59.24936	2.0
61.98820	3.6
66.89226	2.2
71.01378	4.9
71.51807	2.6
73.02956	2.8
75.57784	2.0
76.82466	1.9
85.02944	2.6
93.03486	3.2
101.02441	6.5
119.05026	39.0
120.76415	1.8
125.02439	2.3
142.06590	2.6
143.06903	2.8
145.64790	2.3
161.04530	3.3
163.03987	25.2
191.05585	5.2
204.07724	2.9
216.27835	2.4
307.17578	8.2
367.01276	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	367.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.7
59.01376	27.4
60.58152	4.4
69.82737	12.4
69.83150	12.5
71.01382	53.9
73.02956	13.5
82.57488	4.1
83.01371	7.3
84.56109	4.1
85.02945	24.5
87.00862	15.7
89.02454	18.1
99.00882	6.8
101.02435	33.1
111.00849	4.9
113.02447	20.7
131.71945	4.6
139.00407	7.3
161.04620	27.1
175.11237	8.8
177.12720	6.1
183.02939	8.9
187.11179	8.6
204.11549	16.3
205.12334	100.0
206.12746	9.7
229.12352	6.4
247.13258	7.8
332.76984	4.4
386.31241	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21724	22.2
59.01378	36.5
60.67329	25.8
61.98830	31.3
69.68940	100.0
69.69351	58.6
86.49910	23.3
99.66793	29.8
150.04739	29.3
169.39679	24.7
178.65268	26.6
183.86191	23.9
264.17569	31.0
314.65109	27.2
324.40775	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	39.2
69.27835	100.0
69.28264	76.5
206.45711	18.6
283.26373	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96925	0.2
71.13715	0.4
116.05072	3.4
159.03203	0.4
160.04039	100.0
161.04395	5.7
204.03033	4.9
205.03407	0.4
273.66376	0.2
366.08286	16.3
367.08615	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	366.1556
Annotation	Isatidine
Peak:m/z	Relative Intensity
52.44514	0.7
57.03447	1.3
59.01377	9.1
60.01703	0.9
65.35535	0.8
69.35751	5.6
71.01367	3.1
73.02924	1.2
73.82028	0.7
74.02473	14.9
77.94535	0.6
79.05533	0.6
81.03448	2.9
83.05009	2.2
84.04518	2.4
85.02938	1.7
85.03419	0.7
85.06552	1.2
89.02451	0.8
92.20265	0.7
93.03449	2.4
93.07068	1.0
95.05031	2.1
96.04513	0.7
97.02946	1.5
100.00411	1.8
101.02410	1.6
104.03516	3.9
107.05055	1.2
108.04580	0.9
109.02939	2.6
109.06567	2.0
110.06114	0.9
111.04511	3.7
119.04990	0.9
121.06582	3.4
122.03776	5.2
122.06109	3.6
123.04501	3.4
123.08125	2.9
124.05311	1.4
124.07635	2.8
135.04422	0.8
135.08105	1.1
136.05289	7.9
137.06079	4.0
137.09607	0.9
139.07648	4.7
145.10204	0.7
147.08110	1.5
148.05208	0.9
149.06061	3.6
149.09663	0.9
150.06807	0.8
151.07631	3.6
154.05063	1.2
159.70007	0.7
160.04037	1.5
161.06006	0.7
162.06795	1.1
163.03975	0.9
163.07574	1.6
163.11275	0.9
166.05078	2.1
168.06613	1.4
168.07877	1.7
169.08659	0.9
171.08116	2.5
175.03801	0.7
175.07611	1.2
175.11214	0.9
177.12811	1.1
186.11946	0.8
187.11285	19.6
188.11597	1.6
189.09096	2.4
190.08488	0.8
190.10002	1.6
191.05653	3.7
204.13168	1.1
205.12329	12.2
206.12546	1.1
213.09120	0.8
214.36806	0.8
216.07820	1.1
217.12245	1.6
228.10286	0.7
231.10300	5.9
232.10535	0.9
235.13435	4.1
244.13333	2.8
256.13379	2.8
262.14304	1.8
274.01135	0.9
274.14532	7.6
275.14688	1.0
286.14352	1.4
292.15436	1.8
304.15469	2.3
306.13187	0.8
335.88184	0.7
336.10446	1.4
336.14529	27.4
337.14749	2.8
348.14160	1.2
366.15399	100.0
367.15790	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	365.1605
Annotation	Paecilomycin F
Peak:m/z	Relative Intensity
53.72520	0.5
59.01374	1.6
62.70409	0.5
67.01878	0.8
69.03458	1.1
69.80127	2.6
71.01371	1.0
72.99287	0.7
79.01862	1.3
81.03489	0.9
84.38274	0.5
95.01364	2.7
96.96010	0.7
97.02921	0.9
101.48634	0.6
107.01370	2.5
111.00907	1.1
117.31652	0.6
123.00880	19.8
124.01685	1.9
125.02446	54.9
126.02776	1.6
127.00385	0.5
136.98811	0.8
139.00372	6.7
140.01122	2.2
141.01935	2.8
151.00369	28.2
152.00673	1.3
169.01424	40.8
170.01785	1.7
181.01468	1.5
183.02969	0.7
183.13896	3.3
195.13899	3.1
213.14964	22.3
214.15198	1.3
321.16980	1.0
347.14966	9.3
348.15338	1.3
365.16006	100.0
366.16339	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03430	0.9
58.00582	1.1
59.01382	23.3
69.33794	3.0
71.01381	14.5
72.99305	0.7
73.02949	3.0
75.11815	0.4
83.01405	2.9
84.00935	0.4
85.02959	4.2
87.00874	1.4
88.93483	0.4
89.02446	9.3
95.01393	1.1
97.02995	0.5
99.00887	1.2
101.02448	11.4
113.02450	5.1
119.03497	2.8
125.02390	0.6
127.11342	2.2
130.59111	0.4
139.11279	0.5
143.03497	0.6
145.03044	0.4
155.10742	1.6
157.12338	10.4
158.12718	0.5
161.04449	0.8
169.12289	0.4
171.13960	0.5
178.61653	0.4
179.05589	0.5
185.11839	2.1
187.13376	0.7
199.13409	1.0
203.12877	29.1
204.13271	1.7
205.01469	0.6
233.00966	0.6
242.72459	0.4
245.13940	1.0
321.02371	0.8
347.16824	0.6
365.18137	100.0
366.14398	0.6
366.18597	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	363.2902
Annotation	Hierridin B
Peak:m/z	Relative Intensity
51.29235	0.4
53.86262	0.4
54.27419	0.4
57.59273	0.4
58.00581	1.4
60.01706	0.4
64.64388	0.4
69.18203	4.2
85.06593	8.4
97.06603	0.7
98.98199	0.4
113.06075	1.1
115.07648	5.6
119.04996	1.1
121.02914	1.6
156.55466	0.4
247.20670	10.6
248.21164	1.0
259.20612	3.9
273.18561	0.8
275.20145	26.4
276.20453	2.8
303.19656	0.8
304.20026	0.6
305.21198	5.6
306.21442	0.6
327.26831	4.9
328.27176	0.9
331.26459	1.9
332.26392	0.5
341.24756	0.5
343.26443	1.4
345.28009	2.0
359.25909	3.4
360.26086	0.6
361.27496	13.5
362.27814	1.8
363.29037	100.0
364.29364	16.1
364.34003	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	29.6
61.98829	100.0
65.00301	8.5
71.01369	9.1
71.52420	6.3
78.95892	24.6
83.01385	7.1
95.63812	5.8
96.96976	6.0
107.01387	16.4
121.02990	7.1
125.02438	11.5
125.87972	5.8
151.00401	35.9
152.99577	40.6
159.61569	5.7
169.01410	13.1
178.99863	22.3
201.99039	6.8
237.28426	6.7
301.03482	91.4
302.03720	8.6
303.15686	6.3
319.09131	6.4
333.10870	6.5
365.16077	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	364.9635
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03104	0.4
51.03647	0.4
59.01369	3.9
61.98831	100.0
62.98523	0.4
63.99248	0.4
66.58739	0.3
69.27517	2.7
69.27922	0.7
70.53815	0.4
72.81073	0.4
78.91901	0.9
80.91689	1.1
135.95667	0.8
142.29329	0.4
178.98557	0.7
180.94145	7.2
203.02280	1.1
206.97427	3.7
208.97311	0.4
219.97780	1.1
220.97742	0.6
220.99789	2.1
221.98051	0.4
222.95203	60.5
223.95285	0.6
223.97176	0.9
322.95435	0.8
364.96274	2.6
365.96393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0875
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
50.82962	0.5
53.40656	0.4
53.70161	0.4
59.01376	3.1
61.98825	0.6
64.59589	0.4
70.52721	1.1
71.01390	1.1
71.28887	0.4
73.02923	0.9
76.74499	0.4
101.02439	0.8
113.02423	0.6
120.04240	0.5
121.60288	0.5
136.19221	0.5
136.99191	0.7
145.02968	1.0
152.50031	0.5
158.03732	13.1
159.04512	5.5
171.04500	2.4
175.04092	0.5
177.02110	0.7
201.01878	1.1
201.05597	2.7
202.02713	100.0
203.03166	8.9
203.10780	0.7
213.05521	2.6
214.06026	0.5
227.03441	0.6
231.06615	1.0
241.91208	0.5
245.00876	0.5
245.04454	1.4
274.56659	0.5
275.05670	2.0
365.08762	41.5
365.18201	1.3
366.09055	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	365.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61972	1.2
55.10184	1.2
59.01379	52.1
59.86082	1.3
61.96494	1.2
61.98828	2.8
71.01382	19.0
73.02945	2.7
73.16261	1.5
83.01400	2.6
84.90771	1.2
85.02956	4.9
89.02450	14.0
95.01405	1.5
101.02431	11.4
104.05054	2.4
112.04004	6.9
113.02425	6.6
116.05044	3.4
116.10828	1.7
118.06618	6.2
119.03519	8.3
122.06119	7.5
123.03271	1.9
124.04028	7.6
134.06113	5.7
138.05583	14.2
140.07158	2.9
146.06134	7.9
148.04060	12.8
150.05594	8.4
152.07230	2.3
160.04039	100.0
161.04626	8.4
161.07190	5.4
162.05611	27.1
164.07176	2.2
178.05093	51.1
179.05479	4.4
180.06642	3.2
184.06151	13.3
186.09036	1.7
190.05109	2.4
191.05772	2.5
192.06728	1.6
200.07281	1.8
200.10750	1.8
204.03004	4.2
212.07266	1.6
212.10701	2.1
213.08063	1.7
224.10774	5.3
225.10303	2.5
228.08994	1.7
237.06581	1.5
241.13478	3.6
242.11861	12.7
243.11317	5.8
251.08333	2.0
252.09038	6.1
255.11414	2.5
257.09537	1.4
260.12900	2.3
267.11395	23.3
268.11945	2.8
269.09235	1.6
270.10013	2.5
285.12448	40.9
286.12732	4.5
300.99829	2.7
303.13446	7.0
305.12485	2.8
329.11407	37.3
330.11713	4.6
347.12543	10.6
348.12689	1.7
365.09497	2.3
365.13629	20.0
365.18069	4.6
366.08298	15.5
366.13873	3.8
377.37656	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25922	0.9
55.01863	2.7
57.03452	2.3
58.00594	3.7
59.01381	100.0
60.88042	0.9
61.98822	1.1
69.85659	5.2
71.01382	68.5
72.01726	1.1
72.99312	5.5
73.02946	8.5
73.37339	0.9
74.99081	1.2
75.00871	1.4
80.60218	0.8
83.01379	4.3
83.42814	0.9
85.02951	15.4
85.89790	0.9
87.00880	3.7
88.39947	1.0
89.02448	71.8
93.03468	1.0
95.01394	3.8
97.02968	1.0
97.06597	1.3
98.20634	1.1
99.00889	2.3
99.04524	1.2
101.02448	43.6
103.11387	1.0
111.08132	0.9
113.02457	27.4
119.03505	29.8
120.99638	1.3
125.02458	1.8
131.03540	2.6
134.04752	1.7
139.07668	1.5
143.03497	6.7
149.04544	2.0
150.61743	1.0
159.03014	1.3
161.02432	0.9
161.04558	16.9
163.04030	2.2
165.05573	2.1
169.08685	2.1
174.01669	1.7
179.05623	24.4
180.05952	1.7
181.01373	1.7
183.06606	1.5
201.07504	1.2
201.11316	16.3
202.11699	1.7
205.31119	0.9
215.09166	2.2
221.89691	1.0
247.02307	1.1
326.59763	1.0
354.77664	1.0
363.12759	2.4
363.16629	67.5
364.16904	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01726	1.4
69.80008	4.0
89.02458	1.2
97.02898	1.0
98.19952	1.9
101.02467	1.7
107.01391	6.4
111.69355	1.1
123.00876	5.1
125.02458	16.5
126.02766	1.2
139.00450	1.6
151.00334	2.1
169.01442	21.2
170.01779	2.4
201.44771	1.1
240.21785	1.1
298.38852	1.2
308.03372	1.4
317.04092	1.2
363.23981	2.1
384.04135	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	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10631	0.6
55.01856	0.9
55.07008	0.5
57.03445	1.4
57.70853	0.5
58.00594	1.1
59.01381	32.9
63.44389	0.6
65.00361	0.6
69.03460	1.2
69.46537	4.4
71.01381	18.5
71.05016	0.8
72.99313	3.5
73.02953	3.7
73.06142	0.6
83.01395	1.5
85.02943	5.7
85.06600	0.8
86.03233	0.6
87.00868	1.7
89.02441	14.8
95.01375	1.3
97.02943	2.5
97.08430	0.5
99.00877	1.0
101.02438	14.5
107.08668	2.2
111.98555	0.7
113.02452	7.2
119.03487	6.1
120.99678	0.7
121.10235	1.5
125.02401	0.9
138.05582	1.3
139.11282	2.6
153.01901	4.2
155.10745	1.4
161.04558	1.2
165.64799	0.6
179.05580	1.0
181.01419	9.1
183.10249	39.0
184.10616	3.0
201.11322	12.6
202.11725	1.4
257.13022	3.7
270.92847	0.6
271.99753	1.1
291.05179	2.4
299.99002	0.9
345.15637	0.8
363.16586	100.0
364.16919	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28537	0.6
53.67000	0.5
55.01894	1.4
57.03434	1.7
58.00581	1.0
59.01382	18.5
69.52565	2.0
69.52995	2.0
71.01013	0.8
71.01390	12.7
72.01659	0.7
72.99315	14.8
73.02956	6.7
75.00877	0.8
83.01389	3.5
85.02959	6.0
86.00108	1.1
87.00889	1.1
89.02449	6.2
94.38908	0.5
95.01378	1.5
97.02953	0.6
99.00900	1.7
101.02448	12.9
111.00876	0.7
113.02473	4.7
119.03508	2.5
139.11276	0.6
153.01950	1.9
155.10808	0.6
161.04546	1.2
181.01443	2.3
183.10239	4.1
184.10699	0.6
187.31238	0.6
201.11324	3.8
205.01337	0.6
211.75253	0.5
215.12918	0.7
291.05237	0.7
345.15576	2.0
363.16623	100.0
364.16959	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	363.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
57.03434	2.6
58.00578	2.8
59.01379	100.0
60.01686	1.4
68.57494	0.9
69.03457	1.0
69.89097	0.8
71.01382	66.8
71.50577	0.8
71.50935	1.1
72.99312	5.1
73.02949	5.9
74.42831	0.7
74.57839	0.8
83.01386	4.1
85.02948	14.5
87.00866	3.8
87.44819	0.8
89.02445	73.8
90.02767	1.4
95.01380	5.5
97.02956	0.9
99.00902	2.7
99.04488	1.0
101.02444	39.5
102.02814	1.0
113.02451	27.6
114.02765	1.1
119.03504	33.7
119.04902	1.6
125.02422	1.3
131.03531	3.4
131.74765	0.8
138.05635	1.1
139.07648	1.7
143.03493	8.1
149.04558	2.6
159.03014	1.2
161.04543	16.0
163.03978	1.8
165.05499	2.2
169.08707	1.7
169.96814	0.9
179.05605	23.9
179.07213	1.1
183.10228	1.3
184.99120	2.1
201.11331	18.3
202.11732	1.0
269.57745	1.0
300.99496	0.9
363.16605	53.7
364.16977	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	361.2747
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
56.08918	0.4
57.42412	0.4
60.09124	0.4
65.68724	0.4
77.08405	0.3
81.87671	0.4
107.50671	0.5
108.02151	1.0
122.03741	35.8
123.00809	0.6
123.04095	1.3
124.01651	2.4
135.04524	9.2
136.01665	6.5
136.52798	0.4
142.10085	0.4
149.06094	1.9
177.09186	1.4
191.10757	0.7
194.76671	0.3
205.12399	0.9
219.13763	0.7
247.17020	20.3
248.17358	2.4
249.15033	1.0
275.20148	29.0
276.20505	3.9
303.23337	1.7
320.14188	0.4
330.56128	0.4
343.26407	9.9
344.26801	1.1
359.25836	2.1
361.27469	100.0
362.27811	17.4
372.57669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2746
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
51.99498	0.7
56.62319	0.6
58.00592	2.6
59.01376	2.0
65.35081	0.8
67.49522	0.7
71.01364	0.8
71.50422	1.5
73.02931	1.3
85.06544	0.7
100.34238	0.6
107.05026	6.6
110.54126	0.7
111.95804	0.7
119.05019	2.0
121.02923	3.5
142.58206	0.6
214.89012	0.7
245.19156	2.2
247.17076	2.7
247.20634	8.4
248.20952	0.9
259.20612	3.4
273.18604	1.4
275.20135	51.6
276.20532	6.7
277.18091	3.1
277.21722	2.0
287.20181	1.2
287.23718	1.7
289.21689	0.9
303.19604	3.1
305.21198	40.4
306.21597	4.1
325.25293	13.8
326.25638	1.0
343.26370	5.6
344.26501	1.0
359.25879	1.1
361.27460	100.0
362.27795	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	361.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49856	0.3
59.01356	0.3
66.91781	0.3
69.59176	2.0
81.79809	0.3
91.00953	0.3
108.02174	5.1
121.02952	0.6
122.03743	26.2
123.00838	0.5
123.04064	1.0
124.01650	0.7
135.04495	2.7
135.32945	0.3
136.01654	2.8
149.06125	0.5
167.13972	0.4
233.15457	0.4
247.16920	0.3
280.93307	0.3
355.23154	0.3
361.15561	2.1
361.27460	100.0
362.27786	15.9
362.32434	0.6
363.07870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2748
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
59.01360	0.3
61.41328	0.3
69.56509	1.9
79.64626	0.3
98.20697	0.3
108.02169	2.9
121.02954	0.7
122.03739	30.0
123.00861	0.4
123.03992	1.4
124.01662	1.3
135.04533	8.1
136.01663	4.3
136.05070	0.4
149.06090	1.0
162.77666	0.3
177.09160	0.8
191.10782	1.0
192.11134	0.3
205.12318	1.1
219.13861	1.4
233.15436	0.6
247.17017	1.0
261.18619	0.8
275.20157	7.1
276.20547	0.8
279.23248	0.7
291.19672	5.2
292.20087	0.6
343.26422	7.3
344.26819	1.8
359.25848	3.6
360.26270	0.6
361.27463	100.0
362.27814	16.8
362.32477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.9891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.5
60.01718	1.0
61.98830	100.0
71.50309	0.4
76.56231	0.3
77.91198	0.3
78.91862	0.3
85.74047	0.3
95.78379	0.3
99.68713	0.3
110.44559	0.3
113.44218	0.3
138.49390	0.3
146.74620	0.3
174.99240	0.6
175.99542	0.4
177.96721	0.6
178.98534	0.5
201.02548	0.8
203.02490	0.5
203.99976	4.9
204.02631	0.4
205.00262	0.3
217.00267	1.9
218.00642	3.1
219.00581	0.7
219.97748	51.3
220.95935	0.5
220.97968	1.1
220.99823	2.8
252.59297	0.3
264.06082	0.4
277.99680	0.5
313.24347	0.3
319.97983	0.9
361.98425	2.0
362.99387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.6
60.84665	1.6
61.98831	100.0
69.58258	4.3
69.58668	7.3
71.01389	9.8
85.02924	2.7
89.02442	7.9
92.37831	1.7
95.01409	3.0
97.02875	1.7
98.19989	3.8
101.02425	3.1
111.00848	2.8
113.02427	4.7
119.03485	3.6
123.00847	1.9
125.02439	7.2
126.02785	3.1
128.03506	2.3
137.02432	2.8
138.03223	2.3
139.00290	2.3
143.75166	2.0
152.97951	1.8
161.04547	2.1
169.01384	5.7
170.01781	5.6
212.02824	2.4
223.72714	1.9
272.04971	4.0
327.06604	2.1
362.14359	1.9
363.16632	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	363.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00329	6.5
69.79809	4.5
78.55109	0.9
82.00562	1.0
93.20564	0.9
97.02957	19.5
108.02180	0.9
117.03469	1.4
131.05054	1.0
132.02171	2.2
144.02161	1.0
145.02945	3.7
147.04480	1.4
148.01646	1.5
149.02509	1.0
153.01939	40.8
154.02249	1.5
154.07687	1.0
160.01617	5.2
161.02463	4.7
163.00330	1.9
163.04044	1.6
166.02693	1.9
166.35544	1.1
171.00900	1.3
172.01634	2.2
173.02444	4.7
175.03983	3.7
176.01131	1.4
181.01430	100.0
182.01753	4.6
183.03038	2.2
183.61882	1.0
185.02437	1.4
187.00316	2.2
188.01131	4.6
189.01918	4.3
190.02769	1.5
191.03526	10.1
192.03822	1.4
193.01410	2.1
193.98619	2.4
194.02155	4.0
200.01079	1.8
201.01904	4.3
203.03558	4.8
204.04176	2.6
205.01334	1.3
214.02673	1.8
214.99870	2.1
216.00621	13.2
217.01260	2.7
219.02972	3.7
221.00854	1.9
228.00826	1.0
229.01433	3.1
231.03001	5.4
231.99947	2.0
232.03763	5.7
233.97992	1.5
234.27347	1.1
235.02490	6.1
242.99330	2.7
244.00090	9.0
245.00841	3.0
247.02513	13.0
248.03201	5.0
257.00888	4.5
259.02451	6.2
261.00208	1.2
263.05624	2.1
265.38187	0.9
270.98755	2.9
271.99625	21.1
272.02524	1.2
273.00116	1.8
275.02042	7.4
276.02502	1.7
287.01852	4.6
291.05103	56.4
292.05460	6.2
298.98346	2.4
299.99142	12.0
300.99921	21.8
302.00171	1.8
303.01398	2.4
304.02136	9.6
307.04620	3.6
309.59039	1.1
310.54044	1.0
319.04565	5.3
331.00989	12.4
332.01425	4.2
335.04034	2.6
363.03555	18.8
364.03836	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	361.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	17.1
65.52852	1.0
67.88594	1.1
68.10983	1.1
83.07305	1.1
98.19868	2.4
122.03754	6.5
136.87772	1.3
142.68530	1.0
166.21771	1.0
181.38284	1.2
190.67728	1.1
204.09547	1.1
279.23297	100.0
280.23685	13.0
361.03644	1.4
361.15564	1.5
361.23523	17.5
361.27545	21.5
362.23926	3.7
362.27902	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	361.0929
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
53.90980	0.9
62.66280	1.2
67.72393	1.2
69.30406	1.0
69.74277	1.1
69.80880	2.4
69.81286	3.6
72.99311	24.6
93.03451	2.1
95.82156	1.1
98.20663	1.1
98.96434	0.9
119.05012	2.0
120.99603	1.3
129.38951	1.1
130.08463	0.9
136.05867	1.1
181.06592	3.5
191.48119	1.0
193.06607	11.5
195.08121	1.6
207.08160	12.1
208.08463	1.6
209.06062	2.5
211.07632	3.7
219.08141	20.8
220.08524	3.1
223.07576	4.2
224.08365	2.1
225.09175	14.7
226.09520	1.7
227.07144	1.7
235.07614	12.0
237.05484	3.0
237.09198	34.9
238.09526	3.3
241.08699	3.0
251.07143	2.8
253.08693	35.5
254.08978	4.3
255.06544	1.8
255.10394	1.9
256.07434	1.2
263.07126	9.0
269.08136	8.1
279.06476	2.6
281.08194	23.2
282.08508	2.6
297.07718	9.3
299.09256	9.4
307.06223	2.2
315.08734	70.0
316.09094	7.0
325.07144	7.2
343.08206	54.5
344.08597	6.7
361.09274	100.0
362.09668	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	361.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19427	0.7
55.68023	0.8
59.01379	1.6
65.00309	1.9
67.01870	2.0
68.99817	2.1
69.03458	1.8
71.01368	3.3
71.52016	1.2
72.99297	1.5
79.01928	0.8
81.03453	1.1
83.01382	2.9
83.05022	0.8
87.00924	0.8
95.01344	1.8
97.02920	1.3
97.06585	26.5
98.06918	1.6
110.00114	2.4
111.00882	19.4
112.05305	9.9
123.00917	6.5
124.01673	7.0
125.02450	56.7
126.02785	2.4
127.00368	5.5
129.55858	0.8
136.98801	10.8
137.05830	0.7
138.03270	0.8
139.00378	27.2
139.04010	3.0
140.01161	47.1
141.01456	2.0
149.02420	2.1
151.00316	5.7
154.99809	1.5
155.18356	0.8
163.03983	2.4
167.99205	1.8
168.00638	36.1
169.01424	100.0
170.01762	5.5
180.91429	0.8
191.07109	1.4
191.10739	1.8
193.01399	7.5
194.99326	1.0
202.06169	0.8
203.03482	1.4
209.11819	5.6
210.12320	0.7
217.08568	1.5
219.06612	3.0
220.07373	4.3
231.06581	1.9
237.07626	2.4
264.06390	16.9
265.06738	1.7
273.11285	1.4
281.10281	3.2
299.12839	1.7
304.18536	0.8
317.13800	3.6
361.12897	31.3
362.13220	3.5
367.46252	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1504
Annotation	Gibboside
Peak:m/z	Relative Intensity
55.01866	1.1
59.01374	6.3
62.07938	0.8
67.50042	1.0
69.13100	1.0
69.35638	1.8
69.36045	4.4
71.01385	3.9
72.47755	0.8
72.99310	3.6
73.02952	3.9
85.02941	2.5
87.04509	3.4
89.02412	2.0
93.66148	0.8
95.01385	1.1
95.59507	0.9
101.02425	1.4
113.02454	3.1
125.02586	1.0
134.03709	1.6
135.04671	0.8
135.08133	2.5
137.09729	10.4
140.05595	0.9
142.63742	0.9
155.10782	100.0
156.11127	5.1
169.12337	1.5
181.08749	2.2
199.09761	93.9
200.10117	6.9
201.11182	1.0
213.11293	1.2
237.09235	1.2
241.10837	7.0
281.08224	2.0
304.77444	0.9
343.08536	1.7
361.09311	6.2
361.14856	1.3
361.18704	9.1
361.22412	1.3
362.19080	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	361.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03450	1.7
59.01384	23.4
59.46378	0.6
71.00517	1.8
71.01003	1.3
71.01389	16.5
72.99319	1.9
73.02949	4.2
77.47352	0.6
82.37992	0.6
82.44628	0.5
83.01373	3.2
85.02956	8.6
86.00113	0.8
87.00880	1.6
88.10062	0.6
89.02448	6.4
95.01400	1.7
99.00916	1.2
101.02446	11.5
109.03003	0.6
111.00916	0.9
113.02473	5.4
119.03521	2.2
121.02945	1.1
134.53291	0.6
136.31273	0.5
137.02362	0.6
144.65674	0.6
155.10783	0.7
157.73505	0.6
165.05637	1.3
181.12280	4.5
199.09833	0.9
199.13428	7.2
209.08199	0.6
209.11826	2.2
213.35190	0.7
232.23993	0.6
279.08771	0.6
343.17575	1.3
361.18729	100.0
362.19226	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	361.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.0
56.54765	0.7
57.03445	1.8
59.01383	24.8
69.03464	0.8
71.01382	18.7
72.99304	2.1
73.02953	4.6
83.01386	3.3
85.02943	7.4
87.00867	1.6
89.02455	6.8
91.52733	0.7
95.01391	2.5
98.19859	1.6
99.00884	2.0
101.02441	12.7
111.00890	0.7
113.02470	4.9
119.03496	2.8
121.02956	0.9
125.02450	1.3
146.24319	0.7
161.04539	0.8
165.05643	1.1
168.93161	0.7
172.17529	0.7
181.12317	3.9
199.13402	8.2
209.12027	1.2
275.06866	0.9
290.62546	0.7
343.17642	1.3
361.18704	100.0
362.19092	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	361.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17462	1.1
53.96046	1.2
57.97597	1.2
59.01367	1.6
64.17888	1.1
68.32895	1.1
69.97369	2.1
69.97716	4.5
72.99307	21.0
76.93672	1.3
93.03463	3.1
120.99651	5.0
121.02962	2.5
134.03757	1.2
135.04526	8.5
149.06108	2.4
161.06065	1.5
163.04025	1.5
179.07132	3.3
180.07895	13.6
181.06584	2.6
185.37033	1.1
190.06430	1.1
192.07932	3.2
193.06627	7.4
193.08516	2.1
195.06444	1.6
197.09937	1.1
207.08118	13.7
211.07587	3.0
212.06734	2.2
219.08159	15.5
220.08470	2.6
220.70865	1.1
223.07613	3.5
224.08223	1.7
225.09204	11.5
235.07613	8.9
237.05574	1.7
237.09193	34.7
238.09605	2.9
241.08745	1.8
251.07182	2.4
253.08691	30.3
254.09163	2.7
255.06656	2.8
255.10324	2.6
256.07431	1.9
263.07059	7.7
263.11636	1.3
269.08173	6.9
272.07175	1.5
279.06628	1.7
281.08173	18.2
282.08569	2.8
287.09210	1.4
297.07742	9.0
298.08179	1.3
299.09164	9.7
307.06058	2.3
313.10742	2.0
315.08755	63.9
316.09155	8.9
316.12424	1.8
317.10336	1.3
325.07028	6.5
328.13058	3.4
331.15417	8.0
343.08209	44.3
343.15543	4.5
344.08545	6.4
346.14063	1.3
361.09299	100.0
361.16571	23.9
361.21719	2.5
362.09604	10.6
362.16943	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	361.078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00575	4.0
59.01377	18.0
69.03445	5.0
69.59270	11.9
69.59684	16.7
71.01384	10.2
85.02954	10.1
89.02428	5.3
101.02431	7.6
107.01442	5.1
110.72580	4.1
119.05022	12.5
125.02454	61.7
153.05579	5.6
163.04022	12.3
168.03804	4.7
169.01434	100.0
170.01645	6.5
180.09241	5.4
191.05586	81.0
196.96371	4.8
198.53911	4.5
236.41035	6.2
239.37640	4.6
271.04443	6.5
361.08020	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	359.259
Annotation	Griffinipregnone
Peak:m/z	Relative Intensity
57.67163	0.5
60.81771	0.5
70.81194	1.3
73.28218	0.5
97.33485	0.5
108.02161	1.4
115.34029	0.5
121.02989	0.6
122.03743	34.2
123.04059	1.1
124.01717	2.5
135.04530	21.3
136.01659	7.7
136.05185	0.9
137.02319	0.5
149.06059	3.5
153.68562	0.5
163.07738	0.7
177.09193	4.1
191.10780	2.4
203.14392	0.6
205.12328	1.6
219.13907	3.3
220.14249	0.6
232.89841	0.5
233.15500	0.8
247.17084	2.4
259.16995	2.4
273.18521	0.6
274.19370	1.8
275.20142	30.2
276.20517	4.5
287.20157	5.1
289.11728	0.6
301.21713	11.3
302.22137	1.4
303.19775	2.8
315.23456	0.7
341.24838	17.9
342.25073	3.7
357.24463	1.0
359.25903	100.0
360.26212	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	359.259
Annotation	[12]-Shogaol
Peak:m/z	Relative Intensity
56.94169	0.2
59.01371	0.6
71.05018	0.7
72.04890	0.2
81.03450	0.3
88.59834	0.2
98.20652	0.5
99.08142	0.2
108.02164	4.7
115.04929	0.2
121.02955	0.4
122.03736	20.1
123.00891	0.3
123.04076	0.8
124.01675	1.4
135.04517	9.9
136.01656	4.4
136.04948	0.2
137.02081	0.2
138.52988	0.2
149.06059	1.7
157.07240	0.2
163.07664	0.2
176.42065	0.2
177.09157	1.3
191.10826	1.2
205.12321	1.1
219.13876	1.8
220.14426	0.2
228.31351	0.2
229.08934	0.2
233.15456	0.8
247.16965	0.9
274.19467	0.2
275.20178	2.9
276.20505	0.4
277.21649	1.5
287.20178	0.6
301.21579	0.5
341.24649	0.4
359.25882	100.0
360.26239	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	359.2591
Annotation	Griffinipregnone
Peak:m/z	Relative Intensity
61.27648	0.5
66.98078	0.4
108.02183	3.5
121.02914	1.1
122.03738	36.1
123.00877	0.5
123.04092	1.0
124.01685	3.0
135.04523	18.9
136.00584	0.8
136.01646	7.1
136.04997	0.8
138.88756	0.6
149.06093	2.8
177.09201	2.2
191.10767	2.2
205.12337	2.9
211.60909	0.5
219.13879	2.3
222.54448	0.6
233.15468	1.3
235.13339	3.2
247.16991	1.3
261.18640	1.0
263.16501	1.4
275.20099	1.1
287.20154	4.9
288.20541	0.8
291.19675	6.0
292.19910	0.7
301.21786	0.8
303.19916	0.8
303.23276	2.1
315.23248	18.2
316.23654	2.6
339.23328	2.0
341.24817	24.4
342.25125	3.7
357.24170	1.5
359.25894	100.0
360.26230	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	359.259
Annotation	Nootkastatin 2
Peak:m/z	Relative Intensity
50.57833	0.8
58.00598	10.9
71.05023	3.8
81.03458	13.8
83.05028	3.2
84.02160	0.7
85.06589	3.8
92.02733	0.8
98.20750	1.8
98.29771	1.0
99.04520	22.8
106.04250	1.5
107.01991	0.7
107.05025	2.4
119.05017	11.5
121.02952	11.2
133.06593	2.9
155.96779	0.8
161.09737	1.5
175.11324	1.3
203.14217	1.1
229.46779	1.0
231.17561	1.8
243.17514	4.3
245.19026	4.6
255.17494	2.2
257.19156	2.2
259.20651	100.0
260.20996	13.5
271.20663	14.0
272.21002	1.1
273.22208	2.2
285.22168	1.1
287.20178	5.7
289.21683	9.3
290.22037	1.6
313.25360	6.7
317.21188	2.4
323.23749	9.4
324.24152	1.7
339.23285	1.7
341.24832	50.2
342.25067	8.0
359.25906	80.4
360.26227	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	360.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.8
67.95621	0.5
69.94392	1.1
71.01372	2.3
72.99297	0.4
80.64892	0.5
85.02971	0.5
89.02454	1.2
98.19928	0.6
101.02438	1.0
107.08656	0.6
108.02181	8.3
113.02451	1.3
119.03523	1.0
119.08649	1.6
121.02944	0.7
122.02506	0.5
136.01625	1.0
138.01970	100.0
139.02267	4.2
151.02803	0.7
181.08723	1.1
199.09779	2.2
236.49498	0.5
258.05069	0.5
263.02258	0.6
317.06638	1.3
360.10455	0.7
360.17108	0.7
361.09879	0.8
361.14926	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	361.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89461	1.0
59.01383	8.4
69.88691	4.4
71.01382	4.2
78.95903	2.6
80.20071	1.0
83.01411	1.6
84.60594	1.1
85.02947	1.4
87.00858	1.2
89.02441	3.6
96.96964	6.5
101.02444	3.1
102.77052	0.9
107.01381	7.3
111.00903	1.3
119.03490	1.2
123.00864	4.4
124.01689	1.6
125.02446	42.6
127.00362	1.3
133.58844	1.0
138.03166	1.3
139.00397	1.5
139.04147	1.1
140.01184	1.2
152.71184	1.0
153.02008	1.4
163.04045	1.1
165.00456	1.5
168.00604	3.1
169.01413	100.0
170.01736	4.4
191.05583	12.8
211.02448	10.6
241.03572	4.4
252.16277	1.2
271.04553	20.2
272.04959	2.0
278.99536	1.1
361.00595	1.3
361.07455	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	359.0984
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
54.11200	1.6
55.01865	3.2
58.00579	4.7
58.02950	1.5
59.01378	99.8
59.61981	1.5
60.01701	2.5
61.98817	2.0
62.05550	1.6
71.01380	54.3
72.99302	5.1
73.02940	4.5
78.35105	1.8
83.01379	5.1
85.02946	14.8
87.00863	3.0
88.70017	1.6
89.02441	40.0
92.18177	1.5
95.01375	5.8
98.19865	3.7
99.00865	2.0
101.02438	35.7
106.92512	1.6
109.02957	4.0
113.02444	24.7
119.03492	12.3
120.99638	1.7
121.02980	9.1
122.03716	5.7
123.00858	6.5
123.04543	2.9
125.02423	3.3
127.00398	1.9
135.04512	26.0
137.02435	14.9
137.99596	2.0
138.03197	4.8
139.00342	3.6
143.03529	1.7
153.01967	2.3
153.05621	16.2
161.04547	6.8
165.01923	2.3
169.01425	4.2
179.03481	3.9
179.07137	2.0
181.01389	4.9
182.02202	11.2
182.05818	9.6
183.02962	2.0
187.48921	1.7
195.06570	2.1
196.03683	3.9
197.04541	71.9
197.08170	30.4
198.04880	4.5
211.06096	11.4
224.03317	4.5
225.04018	1.7
239.05603	37.3
240.06046	2.7
269.06720	4.8
288.21216	2.0
299.07819	9.0
299.10947	2.4
327.10666	2.2
329.83420	1.7
343.09601	1.8
344.07520	3.4
359.09772	100.0
359.13504	10.7
360.10214	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	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69190	0.2
57.03437	0.7
59.01379	2.1
71.05022	0.6
71.38468	0.4
71.38817	0.2
81.03423	0.3
83.13117	0.3
94.47972	0.2
97.40163	0.3
104.23643	0.2
106.53239	0.3
108.02168	4.1
121.02950	0.6
122.03738	17.7
123.04073	0.4
124.01658	1.1
135.04521	8.9
136.01666	3.9
136.05302	0.6
139.25473	0.3
146.53613	0.3
149.06049	1.6
176.77867	0.3
177.09215	1.1
180.21005	0.3
190.24074	0.3
191.10762	1.0
205.12318	1.4
219.13962	1.2
233.15422	0.8
247.17073	0.8
260.81305	0.2
275.20105	1.9
277.21722	8.8
278.22046	0.9
287.20184	0.5
289.21713	0.4
301.21579	0.6
359.25903	100.0
360.26254	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	359.0623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	4.7
59.01387	13.8
59.28827	1.4
65.00331	3.2
67.01902	2.3
68.27203	1.4
68.99834	3.5
71.01392	7.7
71.49640	2.1
72.99317	2.6
73.02953	1.8
81.03461	2.9
81.74641	1.2
83.01398	17.3
83.05582	1.4
85.02943	2.6
87.00890	3.2
89.02458	5.7
92.84766	1.4
95.01383	3.0
98.06139	2.6
99.00880	2.6
101.02485	4.0
107.01414	6.2
109.02935	11.8
109.99049	1.2
111.00908	1.7
113.02397	1.6
117.01946	46.6
121.02998	2.5
123.00901	13.6
123.04554	1.6
124.01617	2.1
124.04063	31.7
125.02460	53.2
135.04564	13.5
138.03242	37.1
139.03745	1.6
149.02470	4.2
151.00386	16.3
153.01950	100.0
153.05573	51.2
154.02277	4.8
154.05008	2.4
154.06070	1.7
166.05154	2.6
166.99875	4.8
167.03464	3.1
168.00656	2.1
169.01443	20.5
171.01936	1.9
177.01949	4.0
178.99947	4.0
179.03520	2.2
182.02260	10.7
189.04015	2.1
195.03006	2.7
197.04582	26.6
198.04140	1.9
207.05107	36.6
208.05508	1.7
214.03868	1.4
241.03560	7.0
257.07800	40.4
258.08209	2.4
297.10022	1.8
315.07251	7.9
359.06113	14.0
359.10684	35.6
360.09525	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	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.98738	0.4
56.61930	0.5
59.01385	1.4
71.01402	1.2
71.27006	0.5
71.27344	0.5
71.49299	0.4
77.03976	1.4
85.02940	0.7
95.01409	0.6
99.00898	0.4
101.02435	0.6
108.93385	0.5
109.59245	0.6
123.00900	2.7
125.02455	0.6
135.04526	1.4
137.02473	1.3
138.03235	57.5
139.03578	2.3
153.05585	100.0
154.05891	5.7
161.04607	0.6
164.01154	0.8
166.99838	0.6
179.03474	1.5
182.02188	2.1
197.04565	9.0
359.09833	21.9
360.10291	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	359.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39675	0.6
57.06756	0.6
59.01373	1.2
62.29832	0.6
64.60537	0.6
70.69123	1.8
71.01383	1.8
91.13884	0.6
93.32430	0.6
95.01394	3.2
123.00888	48.4
124.01187	1.8
136.65056	0.7
137.02411	0.9
137.06009	0.6
138.03230	56.9
139.03540	2.3
153.01993	0.7
153.04324	1.1
153.05576	21.9
154.05977	0.7
166.99869	13.5
168.00269	0.9
182.02217	42.5
183.02480	2.2
197.04555	100.0
198.04863	6.4
256.64227	0.6
277.99020	0.6
281.67685	0.8
359.05878	0.6
359.09772	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2434
Annotation	11beta-Hydroxy-6alpha,11-dimethylpregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
57.03451	0.7
70.24711	2.4
91.24237	0.6
103.64468	0.6
108.02181	3.7
113.92347	0.6
121.02910	0.9
122.03738	32.8
123.04005	0.9
124.01652	3.3
135.04521	27.6
136.00725	0.9
136.01657	9.0
136.04964	1.0
149.06076	4.3
177.09203	3.9
191.10765	2.2
205.12379	1.8
219.13927	2.2
229.38895	0.7
233.15596	0.9
259.16913	0.9
261.18491	1.0
263.16568	3.2
274.19479	1.0
275.19995	4.0
287.16568	0.8
287.20044	2.0
299.20200	0.8
311.20126	1.6
313.21722	11.7
314.22137	2.2
327.23309	2.7
329.24860	2.6
337.21710	0.7
339.23260	32.6
340.23578	5.4
357.24323	100.0
358.24652	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	357.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
61.74539	0.4
70.81870	1.2
75.72500	0.4
85.06574	0.7
90.50230	0.4
94.15828	0.4
95.14081	0.4
108.02182	3.9
113.09732	4.0
121.02947	0.8
122.03738	23.5
122.55349	0.4
123.00870	0.6
123.04527	1.3
124.01670	2.2
131.71518	0.4
135.03503	0.9
135.04527	18.0
136.01659	6.6
136.04895	0.7
148.05252	0.6
149.06067	2.6
155.75098	0.4
177.09264	0.8
191.10767	0.8
205.12331	0.9
231.13925	2.1
235.13371	1.3
240.37421	0.4
243.13948	1.2
257.21188	0.4
259.17087	2.4
263.16541	1.4
287.20178	0.9
299.20255	2.9
300.20328	0.6
339.23196	5.6
340.23431	0.8
357.24323	100.0
358.24707	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	357.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55536	1.0
63.30055	1.0
65.16629	0.9
69.83760	5.1
78.04359	1.2
93.07102	4.5
108.02185	7.0
113.09668	1.4
121.02987	2.3
122.03741	56.7
123.04050	2.3
124.01665	3.6
135.04529	42.6
136.01672	14.6
136.05020	1.4
145.59833	1.0
149.06058	5.6
167.25514	1.1
172.87611	1.0
177.09233	4.3
191.10757	5.8
205.12354	3.6
219.13864	3.8
224.07822	1.2
231.31892	1.0
233.15492	1.8
235.13365	1.4
243.13869	1.8
247.17012	3.0
257.15585	2.7
261.14999	2.5
261.18622	1.6
263.16516	56.6
264.16949	6.4
275.16397	1.5
277.18033	3.9
289.18021	1.9
329.24933	1.2
339.23267	71.6
340.23685	9.7
357.24338	100.0
358.24716	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	359.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64130	0.4
59.01380	85.7
60.01715	1.2
61.74652	0.4
61.98813	1.8
64.48328	0.4
69.34347	3.2
69.73696	0.4
72.99319	0.7
81.91201	0.4
90.97131	1.3
98.19903	0.8
118.96587	0.5
132.98207	1.5
142.59335	0.4
157.03543	2.7
159.01451	0.7
167.73830	0.4
174.99245	21.9
175.99678	0.5
201.02548	22.7
202.02643	2.3
217.00296	100.0
217.97881	0.6
218.00690	3.5
274.99646	0.8
300.16022	0.4
317.00647	1.1
324.72101	0.4
337.22873	0.4
359.01489	4.8
360.01639	1.3
366.59915	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61774	8.3
61.98825	100.0
119.75127	7.7
121.02920	13.0
132.81387	7.5
182.11983	7.9
215.17184	8.0
216.31567	9.3
248.94373	8.0
357.06113	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	357.0464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
59.01381	0.8
60.99311	0.4
67.01907	0.4
68.99782	0.3
69.03461	1.7
69.37878	2.4
71.01385	2.1
71.76562	0.4
72.99313	3.0
73.02975	0.4
75.00869	0.5
75.71943	0.4
79.01925	0.6
81.03460	0.4
83.01405	1.3
85.03002	0.5
87.00884	0.8
87.15365	0.5
89.02470	0.6
93.03498	1.0
95.01405	0.6
96.68703	0.3
97.02968	1.3
98.19930	0.9
99.00872	0.6
100.98813	0.5
101.02468	0.8
107.01402	5.7
108.02185	2.6
109.02987	0.6
111.00895	1.1
112.98821	1.0
115.00416	0.6
121.03010	0.5
123.00897	0.9
123.04533	0.5
124.01669	1.0
125.02455	59.9
126.02818	2.1
129.01962	1.0
133.01456	1.5
139.00417	1.0
140.01151	0.9
145.01421	1.4
151.00409	1.3
152.01128	1.4
153.01958	0.5
154.99887	1.9
158.39456	0.4
159.02982	0.5
168.00623	0.8
169.01431	100.0
170.01764	4.9
175.02614	0.4
177.01923	1.5
183.02998	1.0
191.05556	0.6
193.06033	0.4
195.02994	0.8
205.03423	0.5
211.02484	1.1
223.02495	2.9
260.57758	0.4
357.04553	1.3
357.08398	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	357.0616
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
60.93034	0.2
62.90883	0.3
74.52267	0.3
77.03978	0.5
85.41388	0.3
93.03413	0.3
99.88190	0.3
102.79935	0.3
121.02960	100.0
122.03296	4.1
165.01929	1.2
178.02348	0.3
180.05792	1.5
181.06581	6.3
182.06892	0.5
199.07721	0.4
225.05568	5.9
226.05968	0.8
229.21159	0.3
271.06894	0.3
313.07184	7.4
314.07462	0.8
357.06149	25.0
358.06403	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	357.1191
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01376	0.7
71.01352	0.5
87.11925	0.6
89.02468	0.6
98.20694	1.0
103.72638	0.5
122.03748	10.0
123.04532	0.7
124.01723	1.1
133.06584	1.2
134.03720	0.9
135.03038	1.1
135.04507	1.3
136.01659	5.0
139.04001	0.8
149.06067	8.4
151.07660	70.4
152.07993	4.8
177.05579	29.0
177.07146	1.1
178.05936	1.8
195.06635	100.0
196.06953	6.3
229.17691	0.8
237.07938	0.6
357.12137	7.8
358.11935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01380	12.6
61.98834	1.7
65.14023	0.5
67.01897	0.8
69.03449	1.1
71.01386	6.8
72.99301	1.6
73.02935	1.5
75.00859	0.7
79.01923	0.7
81.03446	1.8
83.01378	1.1
85.02943	5.2
87.00880	0.6
87.86443	0.5
88.80842	0.6
89.02453	1.5
93.03450	3.8
95.01380	3.1
97.02979	0.6
99.00870	1.0
99.04580	0.6
101.02441	3.1
107.01392	2.2
108.02174	100.0
109.02982	31.9
110.03280	0.8
111.00875	0.7
113.02482	2.8
121.02959	1.5
123.00871	2.8
123.04524	2.9
125.02444	26.0
126.02809	1.1
133.01491	0.9
133.02951	0.8
135.00850	0.6
135.04532	37.9
136.04877	0.8
137.02452	3.9
137.06125	0.8
139.00430	0.8
145.01457	1.1
150.06871	34.8
151.00375	1.3
151.03958	2.0
151.07489	2.2
152.01155	59.4
153.01955	22.4
153.05545	1.3
154.02272	0.7
154.99872	1.1
160.04095	1.0
161.04581	2.7
163.04034	1.5
165.01910	2.0
165.05592	1.2
169.01430	45.3
170.01770	1.7
170.20766	0.6
177.05519	1.3
178.28931	0.5
183.02953	0.8
193.08685	1.3
195.03011	0.7
195.06621	1.7
207.02975	0.5
211.02452	1.5
223.02492	1.2
249.18690	0.5
273.74606	0.6
312.25146	0.6
315.07236	0.9
350.38608	0.5
357.08234	63.2
357.11725	3.9
358.08380	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	357.1193
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
58.00589	1.7
59.01384	42.9
61.98833	1.6
71.01389	21.7
72.99329	1.4
75.94977	1.0
83.05021	2.6
85.02949	4.4
89.02456	19.0
97.27459	1.1
101.02438	12.7
106.45897	1.4
108.02192	5.3
109.01819	1.5
109.02960	3.5
113.02469	6.3
119.03551	6.6
120.99627	1.2
123.04562	1.7
124.01676	1.4
125.02453	3.1
134.03767	3.4
135.04494	2.7
136.05295	2.9
149.04761	1.4
149.06035	1.8
151.04021	6.6
152.01204	2.1
152.07170	2.1
153.01959	1.8
160.87402	1.3
161.02463	2.6
161.04642	1.4
162.03242	69.2
163.03815	4.4
169.01419	3.6
171.62373	1.2
177.05580	100.0
178.02754	1.8
178.05962	6.7
180.04272	5.6
195.06645	40.2
226.75076	1.2
239.09003	1.4
357.07980	3.1
357.12015	2.2
358.11282	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	357.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
56.47811	0.6
57.63351	0.6
58.49316	0.6
59.01384	100.0
60.01719	1.1
64.47590	0.6
68.03048	0.6
71.01388	6.8
73.02956	2.3
80.17477	0.6
83.01423	1.0
85.02960	3.3
89.02447	1.2
98.19875	2.0
99.00883	1.1
101.02454	4.0
103.28070	0.7
113.02487	2.7
116.70752	0.6
121.03053	0.7
125.02509	0.7
161.04543	3.8
178.72575	0.6
285.79791	0.7
315.18207	3.8
325.07336	0.8
353.89426	0.7
357.26599	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	357.2434
Annotation	11beta-Hydroxy-6alpha,11-dimethylpregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
50.58313	0.8
51.62327	0.8
57.03471	0.8
64.93497	0.8
70.24519	0.8
70.24860	3.0
77.39744	0.7
108.02187	2.6
121.02881	0.7
122.03744	27.6
123.00877	0.9
124.01675	2.5
135.04524	22.3
136.01651	9.0
136.05186	0.8
148.05402	1.0
149.06079	4.1
171.76639	0.8
177.09154	1.5
191.10803	1.2
205.12372	2.2
219.13889	1.9
235.13464	1.1
245.15527	1.1
247.17047	1.3
248.17355	0.8
259.17010	14.8
260.17755	8.1
263.16483	2.0
269.15396	1.2
275.16440	3.5
286.15738	4.6
287.16458	6.2
288.17325	11.1
289.17648	1.3
292.16748	1.8
313.21667	9.4
314.21979	2.1
318.47626	0.9
339.23248	20.6
340.23679	3.0
357.24332	100.0
358.24661	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	355.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05822	0.6
57.03447	4.9
57.63155	0.7
60.56541	0.5
64.36488	0.6
69.76584	0.5
70.97994	1.5
74.14100	0.5
83.05000	1.3
98.95619	0.9
108.02193	2.8
121.02997	0.7
122.03741	21.9
123.00888	1.0
123.04549	0.9
124.01646	2.5
135.04521	19.6
136.01660	7.2
149.06084	3.5
166.19165	0.6
170.11345	0.6
177.09125	1.5
178.15141	0.6
191.10774	2.4
204.45930	0.7
207.10243	0.7
235.17003	1.1
250.66904	0.7
259.16980	0.8
271.17041	0.6
277.18112	2.3
283.16953	0.8
285.18591	2.6
297.18625	4.4
311.20200	2.2
313.21652	3.0
328.65598	0.6
339.19650	1.1
353.21167	1.9
355.22775	100.0
356.23108	15.4
370.05814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
52.28745	1.5
57.73142	1.4
59.01363	1.4
70.35000	5.1
85.02946	2.1
92.03417	1.4
101.06102	1.5
111.00880	2.1
122.03700	9.1
135.04523	26.2
136.01634	2.9
147.08168	1.7
149.06055	1.6
149.09689	9.1
151.07669	2.3
154.02670	2.1
156.12650	1.3
161.09705	7.0
163.07588	2.9
163.11287	47.7
164.08392	15.5
164.11591	2.8
165.09164	10.9
168.46196	1.4
177.09193	61.8
178.09996	21.3
179.10757	80.0
180.11066	4.4
183.10161	1.8
191.10768	11.1
192.11172	2.1
193.08678	7.4
278.74304	1.6
280.14679	2.1
298.15692	53.4
299.16211	6.4
337.21716	47.4
338.21976	7.1
340.20413	77.3
341.20633	12.2
355.22766	100.0
356.23065	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	356.0991
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
54.74782	0.5
57.16786	0.5
59.01386	3.4
61.98846	0.8
69.03484	1.5
69.78506	1.6
69.78916	0.8
71.01393	4.0
71.01667	0.4
72.99308	2.5
74.02490	1.8
83.01400	1.3
85.02953	3.0
86.03293	0.7
87.00884	0.6
89.02455	0.7
93.03468	57.2
94.03804	3.6
97.02972	1.1
99.00887	0.6
100.00417	1.9
101.02469	0.9
107.01400	4.2
108.02200	3.4
109.02952	1.7
111.00903	1.0
112.98847	0.5
113.02431	0.7
121.02977	1.8
123.00899	1.0
123.04538	1.0
125.02461	39.8
129.01965	1.3
133.01497	0.9
133.06674	0.5
135.04547	5.8
136.98895	0.5
137.02452	5.3
139.04018	0.7
140.01169	0.6
145.01474	1.2
148.04140	0.5
149.06062	0.6
150.05626	80.9
151.00371	1.5
151.04051	1.2
151.05954	4.3
151.07170	0.5
151.07591	0.6
152.01140	2.8
153.01920	0.9
154.99870	1.5
159.02933	0.5
163.83231	0.6
168.00636	0.8
169.01440	59.5
173.04570	0.7
176.03532	0.6
177.02019	0.5
181.05066	0.5
183.02982	1.8
194.04593	100.0
195.04921	6.2
195.06680	1.2
209.02954	0.5
211.02449	1.5
223.02437	1.2
356.10034	8.1
357.04486	0.9
357.07849	2.6
357.12173	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.01638	0.8
57.03447	6.0
57.91898	0.7
59.01376	8.9
60.99289	3.1
61.60027	0.8
67.01879	6.8
69.03435	1.0
71.01371	5.6
72.99300	2.6
73.02937	1.0
75.00863	1.6
81.03452	1.7
83.01402	1.0
83.05037	1.6
85.02950	50.2
86.03278	1.9
87.00890	9.4
93.03458	46.9
94.03791	1.9
99.04466	0.8
103.00335	1.0
111.04517	7.4
113.02461	2.0
113.31943	0.7
119.05014	3.2
121.02946	32.6
122.03198	1.2
127.04058	0.9
129.01912	3.7
133.01488	1.2
145.02992	1.1
147.02962	2.4
150.05611	1.2
155.03438	1.8
163.03998	2.2
169.01462	1.2
173.04539	33.7
174.04883	1.8
181.05061	8.3
184.71893	0.8
191.02010	9.7
191.05609	100.0
192.05945	4.7
209.03015	16.2
233.06685	4.2
234.07072	1.1
290.54001	1.0
337.09106	4.4
355.10294	27.6
356.10620	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	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
55.09748	1.8
55.44273	1.8
57.03437	1.5
58.85270	1.6
72.84949	1.7
98.19880	4.6
108.02181	4.5
111.76292	1.5
121.02979	1.8
122.03748	51.2
123.04546	2.5
124.01650	5.2
135.04527	35.1
136.01654	14.3
136.05214	1.6
148.05360	2.0
149.06035	5.9
177.09225	2.2
191.10783	2.6
259.16852	3.2
295.92090	1.6
297.18710	3.1
311.20154	16.0
312.20374	3.5
325.21655	5.7
337.21701	54.4
338.22177	9.0
355.22745	100.0
356.23206	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	355.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
69.03436	0.4
69.90569	1.3
75.73191	0.3
83.05022	0.4
98.19944	0.6
98.95608	0.5
108.02179	4.4
108.60110	0.3
109.02940	0.6
111.08155	1.5
121.02952	0.9
122.03737	19.2
123.00901	0.5
123.04572	0.8
124.01652	1.9
125.50610	0.4
135.04521	14.1
136.01662	4.6
136.04944	0.7
148.05257	0.8
149.06071	2.6
177.09218	1.1
191.10789	1.2
205.12352	2.2
218.12837	0.4
219.13779	0.6
231.13979	1.4
243.13904	1.2
245.15468	0.9
246.16190	0.4
255.13771	0.4
259.16998	3.5
260.17542	0.4
261.15012	0.4
263.16370	0.5
271.17014	0.4
273.14990	1.1
277.18015	1.0
283.17355	0.4
297.18515	1.2
298.19299	1.1
311.20172	0.6
327.23337	0.5
337.21747	1.0
339.19556	0.7
353.21115	0.8
355.22763	100.0
356.23126	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	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82673	0.7
59.01376	4.9
60.99299	2.8
60.99590	0.7
61.27687	0.7
67.01892	6.4
69.03463	2.3
71.01382	4.1
71.13212	1.1
71.13537	0.8
73.49868	0.6
81.03463	1.0
83.05046	0.9
85.02959	7.2
87.00882	9.1
93.03467	42.5
94.03810	1.5
99.00935	0.9
99.04529	0.9
109.02955	1.1
111.04523	6.3
119.05045	1.9
121.02970	30.3
122.03294	0.9
127.04028	1.6
129.01945	1.2
145.02980	0.9
155.03517	1.5
161.73405	0.6
163.04007	0.8
173.04556	33.3
174.04907	1.6
181.05078	6.2
191.05627	100.0
192.05940	5.0
233.06708	3.1
337.09338	4.4
355.10379	28.2
356.10565	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	355.1034
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
50.77547	0.5
51.02468	0.6
55.01883	0.5
57.33760	0.6
59.01377	9.6
60.48005	0.5
69.52332	4.3
71.01381	4.7
73.29501	0.5
85.02937	2.0
87.00872	0.5
89.02443	3.8
93.03463	1.0
95.01369	0.8
97.06605	0.6
97.82044	0.6
101.02437	2.4
113.02442	2.2
119.03487	1.0
121.02947	0.6
125.02475	1.1
132.02173	15.0
134.03732	9.1
149.06082	1.9
150.05612	0.8
151.00330	0.7
160.01665	70.2
161.02007	3.0
163.03969	0.8
163.82375	0.5
175.03999	100.0
176.04337	6.7
178.02730	0.8
191.05618	0.8
191.07155	2.3
193.01425	1.1
193.05048	18.0
202.02652	0.8
217.05029	5.0
235.06081	2.2
265.07190	0.9
295.08240	2.1
355.10345	5.1
355.14218	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
52.09924	0.3
53.08137	0.3
54.10561	0.3
54.35549	0.3
59.01363	1.4
67.01878	0.3
70.83791	0.6
70.84124	0.3
71.01382	0.4
83.05003	0.4
85.02943	7.8
87.00870	1.9
93.03455	3.4
109.02958	0.7
111.04523	1.0
115.79861	0.3
127.04007	2.1
133.02934	0.7
135.04526	1.6
137.02347	0.4
160.18472	0.3
161.02419	1.5
171.03069	0.6
173.04565	1.5
179.03514	1.3
191.05614	100.0
192.05965	4.1
263.68085	0.3
294.18097	0.3
353.08820	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	25.0
64.87453	2.0
71.01391	23.4
71.50517	2.8
73.02946	19.8
81.03453	2.2
83.01389	2.0
83.05017	8.8
85.02947	5.0
89.01989	2.6
89.02453	21.4
93.03457	54.0
99.00870	7.6
99.04511	5.7
101.02439	5.1
107.82935	2.0
111.04509	23.0
113.02437	7.6
119.03503	3.4
129.01944	4.5
134.93166	2.3
137.02461	16.7
143.03467	6.5
148.10953	1.8
155.03493	9.2
157.20853	2.0
161.04541	3.5
173.04549	100.0
174.04872	5.5
179.05598	5.7
220.25598	1.9
353.10883	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	353.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97659	0.8
59.01375	7.5
69.03446	1.0
70.44073	0.8
71.01389	7.0
71.37482	2.0
73.02946	4.3
81.03456	1.2
83.05025	2.4
85.02958	9.3
87.00865	1.3
89.02448	5.5
93.03467	16.1
99.00861	1.8
99.04495	3.1
101.02439	2.0
109.02980	0.9
111.04535	8.5
113.02463	1.7
127.04018	1.8
129.34650	0.9
133.02972	1.1
135.04539	2.0
137.02435	4.5
143.03470	1.3
146.36304	0.9
155.03477	3.0
161.02429	1.2
173.04547	26.9
174.04880	1.2
179.03487	1.8
179.05495	1.3
191.05611	100.0
192.05951	4.9
232.16670	1.0
233.24849	0.8
247.02736	1.0
279.89978	0.8
353.11240	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	353.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
59.01380	100.0
64.44403	0.9
69.03497	0.7
71.01386	7.2
71.51829	0.8
73.02963	1.9
79.15283	0.8
82.42203	0.7
83.01398	1.3
85.02965	2.3
94.71718	0.7
99.00933	1.3
101.02473	4.0
111.82214	0.9
113.02430	2.4
143.33286	0.9
161.04536	3.5
169.23909	0.8
176.72641	0.9
191.05536	1.7
260.54095	0.9
308.16675	1.1
311.15063	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	353.1969
Annotation	Hexamidine
Peak:m/z	Relative Intensity
55.01877	4.6
57.03447	41.8
58.99042	0.8
59.01374	12.1
62.06952	0.9
67.01875	1.7
67.70033	0.9
69.03448	3.8
71.01380	61.0
71.52312	2.0
72.99315	1.9
73.02956	7.4
75.00887	0.9
81.03452	1.8
83.01389	9.2
84.02180	2.3
85.02946	77.9
86.03271	2.1
87.00856	6.3
89.02446	3.2
95.01384	21.3
97.02962	2.4
99.00870	6.3
101.02450	4.0
104.84108	1.1
107.79673	1.1
112.01670	14.4
113.02451	100.0
114.02772	2.7
119.01435	1.1
121.06565	2.8
123.08163	9.8
125.02437	3.0
126.77359	0.9
135.08189	1.0
137.09714	22.5
139.11278	3.5
142.02716	1.6
143.03502	4.7
143.64197	1.0
148.12617	1.1
149.09726	10.2
151.11290	1.9
161.04587	1.7
162.44070	0.9
165.12836	4.8
176.46527	1.0
191.14410	1.9
209.15456	96.1
210.15781	7.5
221.15500	3.5
265.18057	2.7
287.16617	1.2
305.17545	11.4
323.18607	2.8
353.19662	73.7
354.16122	1.7
354.20068	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	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
51.74974	0.3
79.95744	0.3
96.96023	1.6
98.19881	0.9
107.92514	0.3
109.69770	0.3
147.08183	0.4
163.11284	94.0
164.11613	6.0
177.09204	70.7
178.09525	4.7
192.02257	0.3
230.12877	0.3
263.59708	0.4
341.86600	0.3
353.21188	100.0
354.21542	16.3
367.87854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14810	1.2
53.98839	1.2
57.03449	8.8
59.01379	10.1
60.99306	2.5
65.88608	1.3
67.01885	8.5
69.34927	10.1
71.01382	8.3
72.99314	2.1
73.02940	1.5
81.03430	1.3
83.01379	1.5
84.02165	1.5
85.02953	86.4
85.40878	1.4
86.03270	1.4
87.00877	13.3
89.02462	2.6
92.14500	1.3
93.03455	45.1
94.03807	2.5
98.20626	2.6
99.04443	1.2
106.54379	1.2
107.55186	1.3
111.04530	9.4
113.02444	1.9
119.05010	4.5
121.02956	35.4
125.02474	1.3
129.01929	6.0
133.01430	2.0
145.02995	1.5
147.02950	5.4
155.03503	1.8
163.04002	3.7
169.01367	1.7
173.04538	39.1
174.04892	2.2
181.05049	9.0
191.02026	17.4
191.05612	100.0
192.05983	6.8
193.01486	1.7
209.01048	2.1
209.03017	34.0
233.06653	3.7
337.09232	5.9
355.10284	33.8
356.10681	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	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97651	0.5
57.03448	1.1
59.01373	3.7
60.99303	1.8
62.77375	0.6
67.01897	6.6
69.03460	1.6
70.24931	2.1
71.01385	3.5
71.25761	0.5
72.99316	0.6
73.02937	0.8
81.03459	0.9
83.05025	0.7
85.02955	8.3
87.00883	7.9
90.94644	0.6
93.03458	42.0
94.03793	1.5
97.56935	0.6
98.19947	0.9
99.00878	0.8
99.04526	0.6
101.02424	0.7
109.02946	0.7
111.04526	7.1
111.56349	0.7
113.02402	0.6
113.86590	0.5
114.05557	0.7
119.05029	1.7
121.02954	28.2
121.06925	0.5
122.03265	0.9
125.07921	0.6
127.03999	1.6
129.01949	1.3
137.02402	0.7
145.02908	1.0
146.97244	0.5
155.03514	1.7
156.06635	1.1
163.03987	1.1
173.04541	30.9
174.04872	1.5
181.05016	6.2
188.94800	0.6
191.05608	100.0
192.05931	4.4
192.15584	0.6
233.06630	3.5
286.30338	0.6
337.09235	3.5
355.10321	25.5
356.10815	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	353.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.9
67.01899	0.7
71.01384	2.4
71.49707	0.9
73.02972	1.0
77.45287	0.5
79.03258	0.5
81.03506	0.6
85.02962	8.1
87.00879	2.4
89.02467	1.1
93.03460	5.6
95.01415	2.9
99.04505	1.0
100.46143	0.5
101.02470	0.8
101.03976	0.7
107.05052	1.2
109.02965	1.2
111.00900	1.1
111.04552	1.6
113.02440	1.0
117.03461	2.3
119.04994	3.0
121.02966	1.2
121.06572	0.6
122.81662	0.7
123.00905	7.5
123.04554	0.7
127.04024	2.2
129.03493	1.1
130.04256	0.9
131.05003	1.1
133.02966	2.7
135.04538	6.9
137.02425	1.2
145.02960	7.8
147.04529	9.2
149.02431	1.7
149.06056	1.0
150.03198	0.6
151.04024	0.7
153.01947	0.8
157.02940	1.0
158.03726	1.1
159.04547	2.6
161.02464	4.9
162.03264	0.7
163.04030	7.7
164.01122	1.8
165.05586	0.6
171.02998	0.7
173.02452	7.4
173.04536	2.5
174.03210	2.6
175.04013	12.1
176.04350	0.6
177.01974	5.5
177.05539	0.8
178.02483	0.6
179.03502	2.2
185.02487	0.6
189.01976	2.6
190.02713	8.9
191.03545	24.6
191.05626	100.0
192.04036	1.3
192.05975	3.8
193.05075	1.6
201.01959	5.2
202.02380	0.7
203.03505	9.5
205.01466	2.2
207.02901	1.4
217.01416	5.8
218.02039	1.3
219.02969	9.4
220.03326	1.2
221.04576	5.7
223.02464	0.7
229.01421	10.1
230.01938	1.2
235.02533	0.9
245.00932	11.4
246.01433	1.2
247.02489	56.9
248.02814	4.4
263.01990	1.1
265.03439	1.0
273.00403	5.0
291.01480	48.0
292.01840	4.5
309.02502	3.2
353.01602	9.9
353.10992	1.1
353.14844	1.5
354.01852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
67.01888	0.4
69.83906	1.3
71.01383	0.6
73.08827	0.3
74.49972	0.2
81.03477	0.3
85.02947	8.9
86.03286	0.3
87.00882	1.9
93.03465	2.5
98.20574	0.4
98.81716	0.2
108.22889	0.3
109.02938	0.9
111.04504	0.7
115.43289	0.3
127.04030	1.7
133.02917	0.6
135.04536	0.6
152.28969	0.2
161.02420	2.1
164.32970	0.2
171.03011	0.5
173.04462	1.0
179.03479	0.6
191.05608	100.0
192.05940	4.4
237.22421	0.3
252.46721	0.3
353.08862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53569	0.7
55.01864	2.3
57.03444	2.5
58.00590	3.4
59.01382	100.0
60.01728	1.3
71.01384	73.2
71.06020	1.2
71.40491	0.6
72.99309	4.8
73.02952	7.1
73.04076	0.9
82.02965	0.7
83.01392	4.6
85.02953	16.1
87.00866	4.2
87.04524	1.0
89.02448	65.7
90.02795	1.6
95.01398	4.0
96.19659	0.7
96.96065	0.7
99.00895	3.0
101.02446	46.2
102.02776	0.9
113.02454	26.2
119.03500	25.9
119.04337	1.2
123.53681	0.7
125.02467	2.8
129.01920	0.9
131.03491	2.8
139.05139	1.2
143.03506	5.4
147.04585	1.1
149.04584	2.8
159.02980	2.1
161.04562	11.7
164.07208	1.4
166.01395	1.2
169.01439	1.0
179.05583	8.2
187.13387	7.4
242.99278	0.8
243.11504	0.9
273.00500	1.1
274.01080	3.5
287.10602	1.5
290.00723	1.9
303.10083	1.6
305.11249	0.8
331.09467	0.8
334.52917	0.8
349.02341	1.2
349.10132	1.7
349.14612	1.4
349.18692	11.5
350.18921	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	350.1603
Annotation	Retrorsine
Peak:m/z	Relative Intensity
59.01381	40.6
60.53067	2.4
69.28240	19.4
74.02470	16.2
85.02934	2.9
95.01382	15.6
95.05054	2.8
96.95998	3.5
98.20649	4.1
104.03534	4.5
105.03311	2.5
107.01406	2.2
109.02934	5.6
111.00868	7.7
119.05035	3.1
123.00866	4.2
125.02523	2.4
125.06087	10.0
137.09740	2.7
139.00368	8.7
140.01178	4.8
149.78630	2.6
151.07681	2.8
153.01897	2.4
153.09254	2.6
153.38365	2.6
161.02388	4.4
161.09764	2.7
163.07689	4.4
165.09247	6.3
166.99847	9.1
168.00627	3.3
181.01489	3.7
183.02972	67.9
184.03348	3.1
189.09158	2.6
191.03227	2.7
201.12828	18.8
203.10771	11.0
204.11508	9.9
219.13927	12.9
230.09494	4.3
245.11763	9.6
258.15063	3.5
261.00513	11.3
270.15158	3.1
273.13910	2.9
276.16061	2.8
288.15970	7.1
289.03461	4.1
294.69095	2.6
300.99741	3.2
320.14999	35.8
321.15491	4.2
350.16080	100.0
351.16553	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	351.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02151	0.3
55.01891	0.4
59.01365	0.9
61.53702	0.3
67.01889	1.4
69.60145	2.0
71.01388	0.9
79.16018	0.4
83.01395	0.6
85.02972	0.3
95.01380	2.6
96.99290	0.4
107.83467	0.4
111.00885	11.3
111.44064	0.3
113.02403	0.5
123.00901	4.7
128.03568	0.4
139.00369	25.0
140.00687	1.0
146.04622	0.7
161.02457	0.8
166.99852	100.0
168.00182	4.4
171.14508	0.4
183.02979	5.9
185.00897	4.9
199.02475	47.8
200.02805	2.1
227.98230	0.4
247.13257	0.4
261.00400	1.7
268.71884	0.4
283.02698	0.4
323.04013	0.7
323.64093	0.5
351.03561	0.7
351.14386	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01709	1.4
60.20319	0.8
61.98818	1.1
69.71474	4.3
71.01383	12.9
73.02943	2.4
73.69292	0.7
85.02957	4.0
89.02451	2.8
95.01439	1.3
99.00896	1.8
101.02467	5.2
101.03016	0.9
111.16939	0.7
113.02451	5.2
119.02206	0.9
123.04506	6.0
127.03987	1.9
147.06601	1.3
153.05559	9.8
159.02977	0.8
161.04549	11.4
171.06680	1.4
235.88306	0.8
238.26585	0.9
253.96483	0.8
291.10712	1.8
315.10895	2.9
351.12961	5.3
374.67282	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
59.01380	100.0
67.24461	1.1
69.03452	5.1
69.36333	4.7
69.36759	4.4
71.01390	10.6
73.02953	1.7
85.02934	2.9
88.25816	1.2
89.02447	7.8
89.87341	1.1
95.01377	1.7
97.02941	2.4
99.00898	1.6
101.02442	7.4
113.02438	4.7
119.03485	2.9
125.02525	1.5
132.34497	1.0
156.83522	1.1
159.92294	1.2
161.04546	1.9
176.77499	1.0
187.13370	1.1
250.77785	1.2
274.01151	2.6
307.73843	1.1
309.52280	1.2
349.18478	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1867
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
50.66902	1.0
55.01878	2.2
57.03437	3.3
58.00598	3.6
59.01381	100.0
60.01719	1.3
69.03450	1.6
69.73089	2.2
69.73493	3.9
71.01384	78.0
72.01730	1.4
72.99294	4.7
73.02953	9.0
73.13039	0.8
83.01384	4.2
85.02454	1.6
85.02951	22.2
85.15670	1.0
87.00879	3.4
87.04527	2.5
89.02447	68.4
90.02776	1.5
95.01382	4.7
97.02979	0.9
99.00864	2.8
101.02445	43.5
102.02780	1.4
113.02456	30.0
113.03257	1.6
114.02787	1.5
117.03462	1.4
119.03500	25.5
124.88774	0.8
125.02382	1.3
128.03490	1.8
131.03482	3.1
143.03455	4.9
145.02904	1.4
149.04546	2.1
159.02969	2.3
160.98407	1.0
161.02405	4.0
161.04536	17.4
162.04828	1.1
163.03975	1.3
169.08650	1.3
173.02417	2.1
175.03986	1.0
179.05615	7.8
185.11850	0.9
187.04082	1.2
187.13397	8.5
189.01920	3.9
190.02730	2.6
201.01804	1.3
203.03511	3.5
214.99887	1.1
216.00572	1.6
217.01378	2.3
218.02220	1.3
221.04596	2.6
229.01364	0.9
231.02991	3.3
234.01675	1.1
245.00922	1.7
246.01639	1.4
249.04057	15.3
250.04257	1.0
259.02444	1.7
261.03860	1.8
273.00171	1.1
274.01212	6.2
276.94449	1.0
277.03384	1.7
290.98050	1.0
305.02982	3.6
349.01971	1.9
349.14896	3.8
349.18658	24.3
350.19058	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	348.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.0
60.97018	2.3
61.98833	100.0
65.11913	2.5
69.83482	11.2
71.01385	9.0
75.56693	3.7
85.02935	3.2
87.00883	3.3
89.02443	4.3
98.19984	5.2
101.02484	6.1
110.06113	5.0
113.02421	3.6
142.21150	2.6
246.21024	2.6
277.11920	5.5
304.13568	2.8
311.99960	2.8
318.92331	2.8
349.15155	13.4
372.59848	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	348.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.2
61.98829	100.0
62.98531	0.2
63.99253	0.1
70.64839	0.2
81.53844	0.1
85.85060	0.1
130.86549	0.1
161.65240	0.1
162.98468	1.9
163.98520	0.1
164.96375	0.3
182.92950	0.1
203.99951	0.3
205.00128	0.3
205.99741	0.6
206.97437	67.4
207.97546	5.4
207.99194	0.1
348.98318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.02
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59492	1.9
54.91830	1.9
55.56276	1.6
59.01395	11.8
59.01654	2.7
61.97602	1.7
62.96008	1.8
69.48334	12.8
71.01385	7.3
73.02956	3.2
85.02949	4.2
89.02451	3.6
93.03510	2.1
97.02985	3.0
101.02435	3.8
101.04057	2.0
101.72059	1.7
105.03476	3.4
108.02153	4.1
111.00852	11.1
113.02489	2.8
117.03455	7.2
119.03484	2.2
120.99651	2.2
121.02931	3.2
132.02139	3.1
133.02954	6.6
137.00391	2.1
145.02975	19.6
147.00867	4.3
148.01672	2.6
149.02437	3.7
153.01967	2.1
157.02933	4.5
159.00911	4.7
160.01617	2.1
160.04131	2.7
161.02428	23.0
161.04581	3.7
162.03189	6.3
163.00375	4.7
163.03996	5.7
164.04747	2.9
169.08731	2.3
171.00842	5.5
173.02379	15.8
174.03229	4.7
175.00348	3.4
175.03941	3.3
176.01134	8.9
177.01936	7.1
181.01416	2.2
183.02997	7.8
185.02391	2.1
187.00385	8.9
187.03979	2.6
189.01959	25.6
190.02744	12.7
191.03459	4.5
193.05112	2.3
193.98553	52.1
194.99016	3.1
199.00285	2.3
201.01907	21.9
202.99852	3.6
203.03461	16.6
205.01527	3.4
205.05025	3.6
206.02080	2.4
209.00880	7.9
214.99847	14.5
216.00607	19.8
217.01408	62.1
218.02165	10.2
221.04610	11.1
222.01584	2.6
229.01361	19.1
230.01901	3.7
230.99290	3.2
231.02965	10.4
233.04639	4.9
234.01787	5.4
235.02470	22.2
236.02705	2.1
237.00385	40.4
242.99411	12.5
244.00078	5.5
245.00883	48.7
246.01498	14.9
246.98828	2.7
247.02318	3.0
247.99524	6.1
249.04042	62.8
249.06619	4.2
250.04404	6.0
257.98196	4.2
259.02478	12.1
261.04056	20.8
263.01941	5.9
273.00385	32.9
274.01166	75.4
275.01837	17.1
277.03491	22.7
290.00464	2.5
305.03012	100.0
306.03378	8.3
331.00815	4.5
349.01999	17.5
349.14822	11.3
349.18561	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	348.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03428	4.5
55.01872	6.5
58.00599	5.2
59.01383	100.0
59.93882	5.2
61.98845	8.2
67.84865	5.3
71.01389	69.8
71.51017	5.5
72.01738	14.3
72.99306	7.9
73.02943	12.9
74.77726	4.9
75.73740	4.7
83.01379	6.4
85.02947	23.8
86.03307	7.0
87.00910	4.8
89.02440	44.9
90.02775	11.2
99.00887	5.9
101.02439	45.8
102.02798	9.3
108.02163	11.1
113.02442	29.1
114.02762	9.4
119.03503	14.2
120.99606	6.4
125.06131	9.7
126.05611	6.8
128.03543	19.9
143.07211	7.2
152.01164	15.7
153.01901	7.1
161.04530	17.5
162.04938	7.1
179.05571	8.8
285.06219	28.5
305.65482	5.0
348.13107	4.8
348.17377	21.1
349.10965	15.8
349.14941	6.3
349.18784	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01866	2.1
58.00589	3.9
59.01384	100.0
69.67400	1.6
70.79095	4.1
71.01388	64.9
72.99321	3.1
73.02937	3.3
83.01363	2.6
85.02953	11.4
87.00843	3.7
89.02451	79.3
95.01391	4.4
99.00903	2.0
101.02458	32.2
102.56467	1.9
113.02460	24.9
119.03513	28.6
122.99195	1.9
125.02425	1.7
131.03493	3.4
143.03456	3.2
145.83388	1.5
152.54823	1.5
161.04616	5.3
167.10768	14.5
179.05533	6.3
183.02985	1.9
199.13492	2.4
216.00632	5.9
264.92786	1.6
303.01398	11.0
347.12338	1.8
347.17148	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	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03447	1.9
58.00581	4.3
59.01380	100.0
69.25523	2.8
69.25925	8.7
71.01381	60.2
72.99307	5.4
73.02926	1.5
74.59379	1.2
75.67596	1.2
82.86510	1.1
83.01379	2.9
85.02956	13.2
87.00854	2.6
89.02444	74.9
95.01398	4.4
101.02441	30.9
113.02447	25.4
114.02774	1.3
119.03501	32.2
125.02463	1.5
131.03511	2.9
143.03462	4.4
149.04568	1.3
161.04535	3.8
167.10735	10.6
179.05675	4.7
216.00513	1.5
221.40344	1.2
221.49716	1.6
232.08102	1.2
268.87714	1.2
303.01447	3.9
347.11728	1.8
347.17023	5.7
347.24341	3.7
350.84119	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2953
Annotation	Resorcinin
Peak:m/z	Relative Intensity
51.52359	0.2
55.06743	0.2
55.80074	0.2
69.54899	0.2
70.81056	0.3
70.81377	0.3
75.21371	0.2
78.13176	0.3
82.78201	0.3
94.25047	0.3
108.02153	0.5
115.07061	0.3
121.02980	0.3
122.03739	24.0
123.04083	0.9
124.01675	1.1
129.01932	0.3
135.04561	1.2
136.01657	3.0
149.06036	0.4
155.84932	0.2
205.12378	0.3
244.70079	0.2
268.55530	0.2
310.09198	0.3
337.53818	0.3
347.29520	100.0
348.29849	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	347.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30811	0.3
59.01387	0.5
62.27843	0.2
64.69786	0.3
69.49410	1.9
71.01346	0.3
74.18172	0.3
95.01412	0.3
98.20623	0.6
107.01419	0.4
108.02183	1.0
109.02964	1.2
113.61064	0.3
120.02178	1.3
123.00919	0.5
135.00897	0.7
135.04485	0.4
136.01636	0.5
146.75333	0.3
149.02472	0.4
150.79453	0.3
151.04018	1.3
153.05539	0.4
163.00383	5.7
164.01154	100.0
165.01477	5.0
177.01907	0.7
179.03497	73.2
180.03860	4.4
211.06119	22.2
212.06541	1.6
223.02498	2.5
315.05130	9.4
316.05426	1.2
347.07800	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	347.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88593	4.5
56.32346	4.0
56.88785	4.6
59.01382	100.0
61.89740	3.9
69.67486	24.7
71.01392	38.3
73.02959	26.5
73.33762	3.8
83.01405	9.5
85.02975	10.9
89.02445	11.5
98.20576	5.1
101.02444	24.5
112.58559	3.6
113.02460	12.5
122.99234	15.0
165.80804	4.2
172.01642	9.8
188.01067	6.9
216.00659	38.1
216.10289	4.7
216.43112	4.2
231.02879	5.4
241.50206	4.6
243.10182	4.9
244.00154	14.9
259.99631	7.6
260.09250	7.1
275.01859	5.0
285.08740	9.8
303.01401	68.8
304.01797	6.3
347.00531	6.6
347.11438	9.6
347.17184	15.1
347.24524	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	347.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11509	0.7
55.83881	0.6
59.01370	1.1
69.03454	2.5
70.77789	0.6
71.01402	1.0
71.50075	0.9
78.50642	0.7
79.01902	1.1
83.01370	1.0
95.01395	1.0
97.02942	2.1
107.01407	1.4
111.00923	1.4
112.98772	0.9
115.66014	0.7
124.01691	1.2
125.02449	72.5
126.02798	2.9
126.10101	0.7
136.98822	1.4
139.00398	0.9
140.01157	2.9
168.00685	3.2
169.01422	100.0
170.01772	5.6
297.48602	0.8
347.14929	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	347.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.7
69.03466	2.0
75.57398	0.4
79.01874	0.4
81.03480	1.1
83.01427	0.5
95.01397	1.0
97.02966	2.2
124.01609	0.4
125.02448	71.8
126.02779	2.5
138.03104	0.4
148.34071	0.4
169.01422	100.0
170.01790	4.2
192.71545	0.4
197.30443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46102	0.4
52.50261	0.5
55.01885	2.7
57.03459	2.0
58.00601	3.6
59.01384	100.0
60.01723	1.2
61.98849	0.5
68.99803	0.5
70.06616	1.9
71.01389	75.3
72.01734	1.8
72.99308	4.2
73.02953	8.7
75.00864	0.5
78.03459	0.5
81.03467	0.6
83.01396	4.6
85.02959	19.5
87.00880	4.0
89.02452	72.1
90.02791	1.2
95.01398	6.8
97.02941	0.9
99.00900	3.5
101.02453	47.1
102.02782	0.9
105.91629	0.5
109.69431	0.5
113.02461	30.9
114.02787	1.0
119.03513	27.3
120.03811	0.6
125.02480	0.7
131.03528	3.5
143.03503	5.1
149.04517	1.8
159.02924	1.9
161.04562	19.1
162.04889	1.2
179.05637	8.2
202.28842	0.6
205.03455	0.5
278.92673	0.6
347.00235	1.2
347.12772	0.8
347.17139	14.4
348.17172	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	347.1709
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
51.06426	0.9
55.01881	5.1
57.03437	3.3
58.00587	3.7
59.01379	100.0
60.01706	1.8
69.39789	8.0
71.01383	98.1
72.01723	2.2
72.99290	4.0
73.02946	25.4
74.97984	1.0
75.00900	0.9
83.01395	8.8
84.02213	1.0
85.02951	33.5
86.02484	1.0
87.00883	5.9
87.13811	0.8
89.02446	59.6
90.02760	1.2
95.01381	6.9
96.96017	5.2
99.00302	1.3
99.00869	7.5
99.07944	0.9
101.02443	70.9
111.00810	0.9
113.02452	42.2
119.03507	25.2
120.03793	1.1
125.02417	2.2
128.03520	5.1
129.01933	1.1
131.03500	3.3
143.03506	7.3
149.04591	2.1
159.02989	5.4
161.04555	43.9
171.07739	1.4
179.05617	11.2
179.49098	1.0
185.11815	8.7
232.00261	1.1
347.00415	3.3
347.12015	3.1
347.17084	47.8
348.17487	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	347.1709
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01879	5.4
55.25860	0.9
57.03429	3.3
58.00583	4.2
59.01377	97.1
60.01691	1.0
67.30741	0.9
69.50673	6.5
71.01379	100.0
72.99314	4.9
73.02947	24.1
74.24284	1.0
75.00878	1.2
83.01388	10.9
85.02944	35.9
87.00858	5.3
88.71729	0.8
89.02441	59.6
90.02769	1.3
95.01385	7.9
97.02927	2.0
99.00874	7.9
101.02440	78.6
102.02763	1.9
113.02447	43.1
114.02798	1.2
119.03494	27.6
125.02428	2.6
129.01935	1.7
131.03479	3.1
139.00383	1.1
143.03496	8.6
147.42993	0.9
149.04517	1.6
159.02942	4.9
161.04547	43.7
162.04951	1.6
179.05597	13.6
185.11810	12.0
218.60583	0.9
265.31741	0.9
308.50159	0.9
347.08078	1.9
347.17062	68.9
348.17468	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	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
51.27374	1.5
55.01878	2.6
58.00594	3.0
58.55150	1.6
59.01380	94.3
69.03429	1.5
69.22878	14.8
71.01381	53.6
72.99302	5.3
73.02955	4.4
75.46440	1.5
83.01384	2.4
85.02938	13.8
87.00883	1.8
89.02439	43.6
93.03464	1.6
95.01389	3.6
99.00919	2.0
101.02440	32.7
113.02457	21.5
115.19670	1.6
119.03502	22.2
121.02908	2.6
121.10251	8.5
123.04516	10.2
131.03467	2.2
143.03490	2.6
144.52477	1.5
161.04553	1.7
165.09204	12.0
183.10222	4.5
209.11900	1.8
242.05876	2.5
243.12254	3.3
257.08057	2.6
273.00351	2.3
285.13397	2.0
301.02917	3.0
301.07181	12.4
345.06244	2.8
345.15527	100.0
345.22266	3.6
346.15891	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	345.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27374	1.5
55.01878	2.6
58.00594	3.0
58.55150	1.6
59.01380	94.3
69.03429	1.5
69.22878	14.8
71.01381	53.6
72.99302	5.3
73.02955	4.4
75.46440	1.5
83.01384	2.4
85.02938	13.8
87.00883	1.8
89.02439	43.6
93.03464	1.6
95.01389	3.6
99.00919	2.0
101.02440	32.7
113.02457	21.5
115.19670	1.6
119.03502	22.2
121.02908	2.6
121.10251	8.5
123.04516	10.2
131.03467	2.2
143.03490	2.6
144.52477	1.5
161.04553	1.7
165.09204	12.0
183.10222	4.5
209.11900	1.8
242.05876	2.5
243.12254	3.3
257.08057	2.6
273.00351	2.3
285.13397	2.0
301.02917	3.0
301.07181	12.4
345.06244	2.8
345.15527	100.0
345.22266	3.6
346.15891	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	345.2071
Annotation	6beta,11alpha-Dihydroxyprogesterone
Peak:m/z	Relative Intensity
51.15717	1.3
59.01389	5.9
65.03967	46.2
81.03457	1.4
83.05022	4.9
86.02278	1.2
98.20660	2.9
102.97527	1.3
108.02202	11.0
110.03801	1.5
122.03749	24.1
123.04560	7.5
124.01619	2.1
135.04523	10.7
136.01691	6.7
149.06075	1.5
166.77118	1.5
191.10788	1.9
219.13875	1.4
221.67706	1.3
233.15465	5.6
261.14951	57.9
262.15244	5.5
273.18597	10.7
299.20160	13.0
300.20471	1.5
301.18106	49.3
302.18253	7.1
317.21152	4.6
327.19653	100.0
328.20123	11.2
345.20792	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	345.2799
Annotation	5-(8Z-Heptadecenyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
84.73792	0.3
87.22674	0.3
93.34940	0.2
109.41751	0.2
112.58324	0.3
121.03001	0.3
122.03750	21.9
123.04092	0.8
124.01655	0.9
135.04536	7.0
136.01666	3.5
136.05217	0.3
149.06090	1.1
177.09212	1.1
191.10793	1.0
205.12363	1.6
219.13930	1.0
233.15512	0.4
247.17062	0.7
345.27994	100.0
346.28320	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	345.2797
Annotation	Lanneaquinol
Peak:m/z	Relative Intensity
54.60218	0.8
58.07278	0.8
75.79122	0.8
91.76521	0.8
92.02661	1.0
98.20658	2.4
102.03652	0.8
106.04266	3.8
107.05061	1.6
108.02126	1.8
119.05025	14.8
120.05408	0.9
121.02950	15.3
133.06595	8.0
175.11258	1.5
188.90126	1.0
203.14476	1.0
204.04318	1.0
231.17522	100.0
232.17873	9.3
233.15402	4.6
259.20642	78.4
260.20981	9.5
273.22147	1.2
287.23752	7.3
310.59583	1.1
327.26932	24.0
328.27304	3.9
343.26425	1.6
345.27960	98.4
346.28323	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	346.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82286	0.2
55.01459	0.2
55.46772	0.2
59.01378	4.0
60.01698	0.2
61.98830	100.0
69.76259	0.6
69.76675	0.7
81.60349	0.2
118.81495	0.2
196.55470	0.2
197.06984	0.2
201.02556	0.7
202.02681	1.7
203.02243	2.1
203.99985	46.1
205.00079	4.2
246.62544	0.2
346.01013	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91529	0.6
56.01630	0.5
59.01381	7.1
59.04676	0.4
65.00318	0.6
69.26220	4.8
71.01373	4.1
72.99301	0.6
73.02951	0.7
78.32339	0.5
81.80279	0.6
83.01415	0.5
85.02950	1.1
89.02440	3.9
95.01359	0.6
95.67189	0.5
101.02444	3.1
113.02448	2.3
118.91704	0.5
119.03478	1.5
125.02377	0.8
132.02151	1.6
147.00868	0.7
151.00334	0.9
160.01656	7.3
161.01973	0.6
164.01199	1.2
167.10802	2.5
172.01663	16.2
173.02022	1.0
187.00310	0.9
188.01147	14.7
189.01480	1.2
190.99889	1.0
192.00572	1.1
199.13319	0.9
203.03543	0.8
216.00624	51.4
217.00978	4.1
220.00038	0.9
222.29192	0.6
231.02925	1.1
232.00143	0.5
244.00098	29.1
245.00453	2.1
247.99521	2.5
259.02527	0.6
259.99609	9.8
260.99966	1.5
303.01443	100.0
304.01782	8.8
312.45883	0.5
346.61859	2.7
347.00418	8.9
347.11819	1.1
347.17075	4.3
348.00711	0.8
348.32916	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43063	0.4
58.86120	0.4
64.63383	0.4
81.03465	3.3
83.05024	16.8
94.84307	0.4
96.02174	0.4
98.19819	0.7
104.26746	0.4
120.99650	0.9
124.01662	26.8
125.01984	0.8
125.06078	4.0
127.04003	0.5
139.04010	100.0
140.04379	4.2
152.01144	3.6
169.01184	0.4
179.03505	1.0
190.06358	1.0
205.08723	2.2
208.07336	0.6
216.89897	0.4
223.09845	0.8
230.67355	0.5
250.00505	0.4
257.75098	0.4
267.08731	77.2
268.09058	6.6
347.04407	17.8
348.04724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1344
Annotation	Lepidine D
Peak:m/z	Relative Intensity
59.01378	6.4
64.63152	1.2
65.00317	2.4
67.01896	3.2
68.99821	2.9
69.03432	1.7
71.01387	3.4
71.05011	1.3
72.87251	1.2
72.99305	3.6
73.02937	1.6
74.81825	1.1
83.01385	3.9
87.00895	2.1
95.01389	1.7
97.02963	1.9
97.06583	1.2
99.00868	1.8
100.39478	1.1
106.00644	1.3
106.44244	1.1
107.01394	14.4
110.00107	4.4
111.00894	23.8
112.98821	1.1
121.06519	1.7
123.00889	5.8
123.04510	7.5
124.01658	8.4
125.02451	78.9
126.02774	2.5
127.00388	9.1
135.08208	1.9
136.75648	1.1
136.98804	19.7
137.09758	3.2
139.00380	27.0
140.01170	41.3
141.01553	1.2
151.00349	5.7
154.00626	1.2
154.99846	4.0
165.05602	1.4
166.99994	1.5
168.00644	100.0
169.01422	93.0
170.01761	4.5
174.79982	1.2
177.05591	1.2
193.12343	3.9
209.04669	1.3
221.04587	4.2
227.91368	1.2
259.31879	1.3
301.14264	1.6
345.13425	71.0
346.13684	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	345.1553
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
52.90388	1.1
55.01865	5.5
57.03438	3.1
58.00586	5.0
59.01381	100.0
65.25330	1.3
69.62656	6.7
70.00610	1.4
71.01384	86.6
72.01727	2.6
72.99310	6.4
73.02953	15.5
83.01376	8.6
85.02949	26.8
86.03305	1.3
87.00869	4.2
89.02445	50.1
94.72152	1.2
95.01411	6.9
97.02990	1.6
99.00884	8.0
101.01795	2.8
101.02448	51.2
113.02450	33.6
119.03500	22.3
121.10240	20.9
131.03433	1.6
142.00780	1.3
143.03532	3.3
157.81531	1.6
159.02979	4.5
161.04570	15.6
165.09166	4.8
179.05534	1.4
183.10306	3.7
248.04100	1.4
280.42993	1.4
345.15546	47.5
346.15945	5.8
361.54697	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0825
Annotation	Methyl gallate 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.42634	0.4
54.65694	0.4
59.01377	1.0
63.89623	0.4
64.25590	0.4
69.50746	0.4
69.74262	2.7
83.60031	0.4
95.01374	0.5
98.20537	0.9
111.00816	0.5
123.00888	1.3
124.01660	34.5
125.01936	0.9
139.00389	2.2
139.04007	9.7
140.01103	0.5
168.00642	47.6
169.01027	2.8
183.02977	100.0
184.03331	5.0
345.08234	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	345.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28233	0.7
59.01107	1.0
59.01382	15.1
67.01879	1.4
68.01408	5.3
71.01382	2.7
71.05016	1.8
71.50026	0.9
72.99341	0.8
73.08482	0.7
74.28722	0.6
78.43684	0.7
78.95889	1.5
80.05025	1.3
82.02982	1.5
83.01401	1.1
85.02980	1.3
89.02404	0.8
93.03428	1.3
95.01392	1.2
95.02508	5.3
97.02952	1.7
100.04025	1.2
101.02415	1.3
107.01356	0.8
110.02464	2.4
111.00838	1.6
111.02006	53.1
111.17240	0.7
112.02354	1.8
113.02438	0.9
121.02975	1.9
123.00887	3.3
123.04523	14.6
124.01693	7.0
124.04060	1.5
125.02431	4.8
134.04712	1.0
137.02435	1.7
139.00412	5.0
139.04019	21.9
140.04375	1.2
151.05124	15.4
153.01921	1.1
161.04552	0.9
163.03958	1.1
165.01880	2.1
166.99879	1.1
168.00650	14.1
169.01431	6.9
173.04608	0.7
182.02205	1.4
182.99364	1.9
183.02971	30.1
195.04066	2.2
199.69244	0.9
208.17255	0.8
213.05165	100.0
213.24426	0.7
214.05501	4.3
243.06146	1.6
260.55801	0.7
306.45770	0.8
323.98236	0.9
345.09201	24.2
346.09354	2.3
346.15952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0977
Annotation	Nigrolineaxanthone U
Peak:m/z	Relative Intensity
56.07802	0.9
57.03428	0.9
59.01385	6.2
62.36237	0.8
69.03455	3.3
71.01382	2.6
71.51695	0.8
71.52061	1.1
72.00363	0.9
72.99306	95.6
73.01174	3.1
73.99647	1.4
83.05543	0.9
85.02931	1.3
89.02421	1.6
101.02430	1.4
111.08127	1.4
119.03480	0.8
119.05051	1.2
121.02935	1.6
123.04533	3.3
139.11272	5.0
140.01183	1.0
149.44281	0.9
161.04588	0.9
183.03020	1.9
183.10258	26.4
184.10526	1.6
191.05441	0.9
195.08116	5.8
197.09747	1.3
209.09720	19.1
210.10059	1.3
211.07594	1.2
219.08165	1.1
221.09698	74.3
222.10020	6.1
224.08405	1.6
225.09169	5.4
225.11226	1.1
233.78670	1.2
236.08383	2.5
237.09186	22.9
238.09494	3.1
239.07127	3.2
253.08693	5.0
265.08661	23.3
266.09003	2.6
271.09680	2.5
281.08194	8.9
282.08600	1.2
283.09799	1.2
299.09146	1.1
301.00003	2.3
309.07693	18.7
310.07941	1.6
326.97855	1.9
327.08713	80.7
328.09024	10.0
345.09781	100.0
346.10092	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	344.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43366	0.2
59.01376	0.9
61.21004	0.2
69.18645	2.0
69.19062	0.7
101.02382	0.3
101.54360	0.3
109.02966	0.2
123.00908	0.4
123.04527	1.0
125.02404	1.5
137.02444	2.1
139.00281	0.3
146.28032	0.2
151.03989	1.6
152.04790	5.1
167.02191	2.1
167.65189	0.3
169.01405	1.3
171.10306	0.4
179.10837	0.3
180.03012	0.6
181.03806	2.5
182.04573	100.0
183.04913	4.7
199.01233	1.1
207.59229	0.3
213.56393	0.3
242.07555	0.3
260.39056	0.2
264.04721	0.3
271.60696	0.3
273.69028	0.3
313.05301	0.3
322.08688	0.7
344.09830	17.8
344.21408	1.5
345.10406	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	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
55.70486	0.6
59.01363	2.1
61.99451	0.5
65.20478	0.5
67.71487	0.6
69.03464	1.6
71.01347	0.6
83.05023	1.7
91.63215	0.6
97.06573	0.7
99.08159	10.9
103.14390	0.5
114.19505	0.5
121.02936	1.5
121.10209	1.5
125.09749	2.2
137.09711	1.5
139.11287	0.6
149.13399	0.9
150.92287	0.6
165.12839	1.6
167.14362	0.7
171.10252	10.3
172.10614	0.7
175.11208	1.2
193.12334	17.4
194.12645	1.6
197.15414	0.8
202.73003	0.6
211.13431	3.7
225.14955	26.1
226.15306	1.7
243.15990	10.3
293.21213	2.3
307.21997	0.6
311.22324	1.2
343.24869	100.0
344.25177	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	343.2642
Annotation	5-(8Z,11Z-Heptadecadienyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
52.15364	0.9
70.81097	1.3
70.81441	1.7
71.05006	1.7
78.89423	0.8
83.05003	1.0
85.38036	0.9
88.31120	0.9
106.04263	3.1
107.05028	3.9
108.02157	1.8
119.05030	22.0
121.02961	12.4
122.03374	1.1
133.06589	5.9
161.09756	2.7
175.11275	2.4
189.12961	1.2
203.14282	1.0
209.49146	0.9
215.50620	0.9
257.19122	1.1
259.20660	39.1
260.21027	3.8
271.20615	2.2
285.22238	100.0
286.22583	14.9
302.71182	0.9
309.22122	1.0
315.26978	1.0
323.23807	2.0
325.25363	72.6
326.25693	14.5
343.22244	2.0
343.26422	36.6
344.26706	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2639
Annotation	5-(8Z,11Z-Heptadecadienyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
57.03434	3.6
58.49298	1.0
59.01361	1.1
71.05012	8.2
71.49665	1.0
95.01357	1.0
106.04256	1.7
107.05047	1.6
119.05013	7.4
121.02969	10.1
133.06540	1.4
161.09747	1.2
171.00995	1.0
175.11308	1.3
259.20654	33.0
260.21005	3.2
271.20642	5.1
273.22186	6.5
285.22256	3.5
301.25446	2.8
343.26419	100.0
344.26721	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	343.2641
Annotation	5-(8Z,11Z-Heptadecadienyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
60.82645	0.2
71.12780	0.5
108.02164	0.9
114.56403	0.2
121.02937	0.6
122.03748	23.0
123.00874	0.2
123.04063	0.7
124.01688	1.4
135.04529	12.9
136.01677	5.2
136.05153	0.4
137.02499	0.3
148.05280	0.4
149.06073	2.5
177.09195	0.7
191.10800	1.1
205.12277	0.7
206.34564	0.2
219.14075	0.2
245.15421	0.4
247.13930	0.2
260.17990	0.2
263.61783	0.2
276.44135	0.2
279.64249	0.2
343.26419	100.0
344.26755	16.6
349.96948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2639
Annotation	5-(8Z,11Z-Heptadecadienyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
59.01363	0.7
65.03952	0.9
65.57722	0.3
69.39483	2.0
69.39901	0.9
76.30441	0.4
85.78945	0.3
93.03457	35.8
94.03776	1.0
95.05028	2.9
100.25871	0.3
121.02953	39.3
122.03206	0.6
122.03808	0.5
135.04514	0.4
141.12878	0.5
151.19646	0.4
210.42154	0.4
249.22174	0.6
289.95508	0.4
325.25351	1.3
326.25848	0.5
341.24826	0.5
343.26385	100.0
344.22510	0.7
344.26733	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	343.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44232	0.3
58.87492	0.3
69.96835	0.3
70.16570	0.6
70.16968	0.6
73.73045	0.3
77.34064	0.3
83.26003	0.3
101.05405	0.4
108.02128	0.5
121.02979	0.4
122.03736	24.1
123.00876	0.4
124.01653	1.9
130.18564	0.3
135.04523	11.0
136.01653	4.9
136.05260	0.4
149.06102	1.8
177.09196	1.7
180.68369	0.3
191.10728	1.3
202.32076	0.3
205.12328	1.6
219.13879	1.3
233.15446	0.9
343.26398	100.0
344.26730	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	341.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76846	0.4
70.81596	0.7
71.49949	0.4
80.30562	0.4
81.49592	0.4
89.15550	0.4
102.98817	0.4
108.02164	0.7
120.46427	0.4
121.02952	0.8
122.03740	23.1
123.00853	0.8
123.04020	0.7
124.01662	2.7
135.04530	30.3
136.01678	7.7
136.04955	1.3
149.06088	5.9
175.13315	0.5
177.09177	2.1
191.10773	2.1
192.11517	0.5
205.12267	0.7
209.73080	0.4
219.13852	0.5
231.13933	0.5
246.16193	0.9
248.76608	0.4
272.17752	1.0
272.49933	0.4
297.18640	0.7
311.20035	0.7
339.23257	2.4
341.24835	100.0
342.25189	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	343.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71238	0.5
55.01878	2.3
57.03443	1.2
59.01379	1.2
59.45146	0.5
69.03452	1.3
69.85514	2.5
71.01378	4.9
75.00870	1.6
81.03490	0.5
81.33346	0.5
83.01391	5.4
85.02954	0.9
87.00887	1.0
91.34575	0.4
97.02940	0.8
97.97335	0.5
99.00881	1.9
101.02447	2.0
101.80826	0.5
103.00377	1.2
107.01386	5.3
107.23820	0.6
111.00878	0.7
112.37463	0.5
112.98872	0.6
113.22150	0.5
123.00867	1.0
124.01714	0.7
125.02447	60.6
126.02769	1.9
127.61322	0.4
129.01942	5.1
134.07085	0.5
137.06116	0.6
139.00354	0.5
147.02991	1.2
154.99867	16.4
156.00339	0.6
165.01828	0.7
169.01419	100.0
170.01793	4.4
181.05060	1.6
199.59436	0.5
238.02666	0.5
343.02963	1.7
344.03751	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
56.95319	0.5
57.80880	0.6
59.01376	1.0
69.43704	4.1
77.74463	0.6
84.16492	0.6
89.02428	0.7
98.20751	0.7
103.99030	0.7
111.57738	0.7
121.02979	0.8
122.03748	7.0
124.01707	0.8
135.04543	2.5
136.01657	3.1
137.06079	84.2
138.06401	4.6
149.45573	0.7
163.04002	22.8
164.04361	1.4
181.05061	100.0
182.05360	7.0
270.63455	0.7
343.10281	6.5
344.10684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97947	0.4
59.01383	15.3
66.11889	0.3
66.64017	0.4
66.65034	0.4
69.11705	0.4
69.13409	0.7
69.13747	4.1
71.01376	1.2
74.25989	0.4
81.03458	0.6
84.11815	0.3
85.02970	0.5
89.02444	0.5
93.03464	1.2
95.05016	0.7
101.02474	0.6
109.02958	6.1
109.06600	4.0
110.07034	0.3
113.02488	0.4
117.83167	0.4
119.05029	4.6
121.02953	6.8
122.03762	1.3
125.02445	1.4
135.04552	4.8
136.04890	0.4
137.06093	28.4
138.06421	1.7
144.81502	0.4
154.99940	0.4
163.06168	0.5
166.02745	1.7
169.01425	2.1
181.05075	100.0
182.05414	5.6
337.36829	0.4
343.10306	10.1
344.10941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01387	1.3
69.71162	2.8
71.01376	0.8
73.02940	0.6
78.82606	0.7
89.02447	0.5
94.48337	0.4
98.20627	0.9
103.26640	0.4
108.70428	0.5
109.02950	1.1
119.05037	1.4
120.26749	0.5
121.02962	1.8
122.03751	6.9
123.00845	0.6
124.01633	1.0
125.02396	1.3
135.04546	3.4
136.01657	3.2
137.06082	100.0
137.52661	0.5
138.06427	5.0
159.53360	0.5
163.04013	32.9
164.04329	2.3
169.01402	1.5
178.12679	0.5
181.05060	93.8
181.08571	1.8
182.05403	5.0
182.74857	0.5
209.72629	0.6
239.48839	0.5
255.10381	0.7
343.10336	37.8
344.10663	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	343.1038
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
55.01891	0.4
57.03469	0.4
57.94441	0.4
59.01381	16.4
67.01896	1.9
69.03446	0.9
71.01395	2.6
71.50996	0.5
72.99300	0.4
73.02943	0.4
75.00864	0.5
78.07874	0.3
78.95942	0.4
81.03453	0.9
83.01406	1.3
85.02960	0.4
85.29124	0.3
86.90694	0.3
87.72023	0.3
89.02441	1.0
93.03468	1.2
93.07170	0.4
94.96043	0.3
95.01397	2.4
95.05013	0.8
97.02931	0.3
99.00906	0.5
101.02453	0.9
103.00431	0.4
107.01376	1.7
107.05051	1.0
109.02963	6.6
109.06596	4.2
109.60908	0.4
111.00881	0.6
113.02494	0.5
119.05033	5.2
121.02967	9.5
122.03740	1.2
123.00865	0.4
123.04526	0.6
125.02454	17.1
126.02789	0.8
128.40155	0.4
129.01939	1.4
131.43552	0.3
135.04535	6.3
136.04999	0.5
137.02452	0.6
137.06097	32.2
138.06412	1.7
139.00365	2.5
150.06853	1.5
151.00356	0.7
151.07620	0.8
153.01947	0.9
154.99879	4.6
161.04460	0.4
162.06850	1.8
163.00386	1.2
163.02591	0.4
163.03972	0.6
163.07625	1.1
163.13226	0.3
165.01968	0.6
166.02667	0.5
169.01436	29.5
170.01756	1.4
179.03511	0.7
179.05597	0.4
180.03865	0.4
180.07942	5.0
181.05081	100.0
182.05429	5.3
182.09026	0.6
196.65375	0.3
209.00922	0.7
221.09653	0.5
326.10040	0.6
343.03629	0.4
343.10272	3.9
343.13956	0.5
344.10977	0.6
352.21509	0.3
353.05237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
57.03445	1.0
59.01374	1.2
69.03455	1.1
70.02512	2.5
78.68966	0.6
82.31828	0.5
83.05018	0.6
97.06561	0.7
98.02907	0.5
99.08168	5.2
107.04942	0.6
111.00730	0.7
121.02966	1.8
121.10232	4.9
125.09733	2.2
127.11282	1.4
137.09698	2.0
139.11284	1.4
149.13431	0.8
154.44154	0.5
171.10263	37.3
172.10620	2.1
175.11226	0.7
191.10738	0.6
193.12347	8.0
194.12697	0.6
211.13411	2.4
225.14932	12.3
226.15277	1.0
243.16026	3.9
244.16156	0.6
293.21155	3.3
299.12921	0.9
299.22302	0.8
311.22183	0.6
325.24103	0.6
343.24860	100.0
344.25192	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	341.2484
Annotation	Nostocyclyne A
Peak:m/z	Relative Intensity
55.50150	0.3
55.74359	0.4
57.30159	0.3
58.93983	0.3
64.50094	0.3
69.62141	2.3
75.55206	0.3
89.07480	0.3
98.20679	0.3
108.02168	0.7
118.96966	0.3
121.02946	1.1
122.03741	31.3
123.00908	0.4
123.04025	0.6
124.01675	2.5
135.04526	26.0
136.01659	8.4
136.05058	0.8
149.06073	4.7
161.27451	0.4
177.09213	3.2
191.10835	2.8
205.12338	1.5
219.13947	0.8
246.16333	0.6
272.17841	0.4
297.18552	0.9
311.20288	0.9
325.21805	0.7
339.23254	4.8
340.23602	0.5
341.24841	100.0
342.25195	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	341.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12369	0.4
69.90472	2.0
87.64017	0.5
98.19903	0.6
101.46702	0.4
108.02215	0.8
121.02921	0.8
121.08994	0.5
122.03738	25.5
123.00888	0.5
123.04038	0.5
124.01660	1.8
130.61969	0.5
135.03494	1.0
135.04529	19.2
136.01665	5.6
136.05231	0.7
149.06076	4.0
170.46896	0.5
177.09261	2.6
191.10829	2.8
205.12338	2.2
219.13931	0.7
219.58449	0.5
256.60217	0.6
265.66235	0.5
311.20166	1.0
325.21387	0.5
333.85849	0.6
339.23242	3.7
340.23633	0.6
341.24835	100.0
342.25208	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	341.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37882	0.6
59.01381	8.3
64.74281	0.7
70.63747	0.7
71.01385	7.5
71.13038	1.7
85.02943	1.1
89.02453	6.9
92.42001	0.7
93.03461	33.4
94.03789	1.1
95.05043	1.8
101.02435	2.4
113.02430	2.6
113.89361	0.7
119.03486	3.0
119.05005	1.0
121.02964	28.7
122.03723	2.2
129.50912	0.7
135.04523	3.2
136.01630	0.9
143.03473	0.9
149.06000	1.1
179.05606	2.8
183.01241	0.9
184.01561	0.9
185.00652	3.6
191.10765	0.7
199.00583	0.9
205.12199	0.7
210.17136	0.7
287.60739	0.8
339.23166	2.0
341.10837	2.5
341.20065	11.7
341.24799	100.0
342.19342	0.9
342.20163	0.9
342.25150	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	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
53.70387	1.1
55.01868	1.3
58.00583	3.5
59.01380	100.0
60.01719	1.0
62.28720	1.0
70.84313	3.1
71.01382	66.6
72.01732	1.2
72.99313	3.0
73.02939	2.3
83.01385	1.9
84.90495	1.0
85.02949	8.9
87.00864	3.6
89.02444	82.7
90.02773	2.2
95.01392	3.2
101.02446	31.3
113.02453	24.6
119.03510	29.3
125.02418	1.0
131.03484	4.4
135.04436	1.4
136.07602	1.1
143.03500	7.3
148.84180	1.0
149.04549	3.3
151.43762	0.9
157.22583	1.0
161.02415	1.6
161.04553	7.3
164.51118	1.0
179.05615	31.2
180.06709	2.4
216.07826	1.0
319.88580	1.1
341.10855	31.9
342.11163	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03432	1.2
58.00599	2.6
59.01378	100.0
60.01698	1.0
66.71595	0.7
70.87623	0.6
70.98059	1.8
71.01382	68.9
72.01741	1.2
72.99309	3.5
73.02947	2.4
83.01394	2.2
85.02946	9.0
87.00860	4.0
89.02444	83.7
90.02790	1.1
95.01395	4.5
101.02445	32.0
102.02747	0.7
107.03507	1.0
113.01835	0.7
113.02448	25.2
119.03503	27.5
119.93802	0.7
125.02441	0.8
131.03523	4.3
134.79694	0.6
135.04524	2.9
143.03499	7.6
149.04555	2.6
161.04565	8.2
179.03346	1.7
179.03792	1.5
179.05611	29.4
180.05920	0.9
228.24605	0.9
341.06689	1.5
341.10870	28.7
342.11325	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.7
64.44951	0.7
66.33317	0.7
69.03442	2.2
70.81042	1.4
70.81383	1.2
71.01382	1.3
71.78117	0.7
83.05037	1.5
84.02167	6.8
89.02415	0.9
91.02605	0.7
97.02948	2.9
97.06593	12.2
99.04513	1.8
113.02460	1.0
116.11421	0.8
119.08706	1.2
125.09701	1.0
127.11342	1.2
137.09708	1.5
165.12846	0.9
171.10265	21.8
193.12334	15.6
194.12717	0.9
210.36819	0.8
211.13455	2.1
225.14960	19.8
226.15321	1.6
243.16008	7.5
244.16415	0.9
253.14386	1.0
272.16199	0.9
291.19635	1.9
323.22562	1.3
341.23312	100.0
342.23679	14.0
344.99524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.8
60.09460	0.8
64.40179	0.7
68.19960	0.7
69.03443	2.1
70.23390	0.7
71.01369	2.5
71.19933	0.7
72.92094	0.8
74.16906	0.7
79.85924	0.7
83.05013	2.4
83.38436	0.7
84.02176	1.5
88.06554	0.7
89.02435	3.1
97.06583	14.3
98.19868	1.3
99.04530	1.3
99.87799	0.8
111.08116	0.7
121.10155	1.0
125.09718	1.7
127.11270	0.8
128.26668	0.7
132.34351	0.7
137.09737	1.8
146.08081	0.8
165.12843	1.0
171.10265	7.5
175.11247	1.3
193.12318	18.9
194.12625	1.2
197.15411	1.1
211.13361	3.0
221.11797	1.4
225.14949	26.9
226.15302	1.5
242.19662	0.8
243.15990	9.9
253.14340	0.8
341.23306	100.0
342.23642	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	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56982	0.9
55.01868	1.1
57.03439	1.3
58.00586	2.7
59.01380	100.0
60.01717	1.4
61.25337	0.9
61.56015	0.9
69.61877	4.5
71.01381	63.3
72.99303	4.6
73.02908	1.1
74.30117	0.9
75.00882	1.1
83.01376	1.2
85.02950	9.8
87.00868	4.3
89.02446	71.8
90.02752	1.7
95.01370	3.7
98.20628	1.7
101.01797	1.9
101.02438	30.8
113.02456	23.3
119.03500	26.8
125.02389	1.4
131.03491	3.7
143.03490	6.9
149.04514	3.4
161.04552	8.6
179.05609	29.4
197.04131	0.9
197.06029	0.9
222.70793	1.1
341.10895	30.1
342.11142	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1087
Annotation	alpha,alpha-Trehalose
Peak:m/z	Relative Intensity
50.97036	0.3
55.01879	1.2
57.03455	1.6
58.00595	3.1
59.01379	100.0
60.01706	1.4
69.25725	0.7
69.26128	2.2
71.01381	64.8
72.01715	1.1
72.99310	2.7
73.02955	2.0
75.00873	0.7
80.65154	0.3
83.01393	2.1
83.07658	0.3
85.02951	8.7
87.00873	3.9
89.02444	83.9
90.02779	1.2
95.01396	3.6
95.89624	0.3
97.02951	0.5
99.00899	0.6
101.02442	31.1
102.02798	0.4
107.03504	0.6
113.02448	23.7
114.02777	0.8
115.03972	0.4
119.03503	27.7
120.03836	0.5
125.02439	0.6
131.03513	3.7
143.03496	7.3
149.04581	2.8
161.04568	7.4
168.99728	0.3
169.58995	0.3
179.05605	27.1
180.05986	0.6
267.07074	0.4
341.10873	28.2
342.11191	1.7
356.47134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05207	0.6
62.52089	0.4
87.86049	0.5
89.17805	0.5
147.08194	0.7
163.11296	100.0
164.11621	5.3
339.23288	87.0
340.23602	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	339.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21608	0.4
54.35926	0.4
64.52914	0.4
67.48680	0.4
71.37145	0.9
73.51537	0.4
89.15778	0.4
108.02208	1.0
113.44786	0.4
121.02991	0.7
122.03748	25.2
123.00854	0.5
123.04076	0.8
124.01691	2.1
124.02435	0.5
135.04535	29.5
136.01671	6.3
136.04950	0.7
148.05264	0.8
149.06094	5.3
161.06091	0.9
163.11275	1.7
163.47656	0.4
171.69839	0.4
175.07552	0.5
177.09183	1.4
183.01196	2.6
189.67000	0.4
191.10780	1.7
205.12259	0.5
225.09244	0.5
233.15480	0.6
261.18610	0.7
283.17279	0.5
297.18680	0.8
309.18372	0.7
323.20328	0.5
324.20920	1.3
337.21667	1.6
339.20065	4.1
339.23303	100.0
340.23624	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	340.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
71.01383	0.5
71.36476	1.1
75.93459	0.5
82.30566	0.4
89.02431	0.6
93.05149	0.5
116.12295	0.6
122.03741	8.2
123.04073	3.7
124.01657	0.6
135.04529	6.8
136.01662	2.3
136.04855	4.2
137.02080	1.2
147.04521	0.6
148.05228	1.0
149.05899	1.1
150.06505	1.1
159.04541	0.9
161.06065	1.1
162.06360	1.5
163.11269	0.8
163.74011	0.5
164.11571	0.6
169.20210	0.5
175.07690	0.6
183.01175	1.4
184.01529	1.6
185.00829	0.7
204.84407	0.6
218.33139	0.6
226.09636	1.0
240.11171	1.5
254.12714	0.7
261.18561	0.8
262.18832	1.3
282.15839	1.3
285.58658	0.7
324.20508	1.3
325.21188	3.8
338.22122	1.2
340.20322	5.7
340.23624	100.0
341.23981	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	341.088
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
58.00583	0.6
59.01385	15.1
62.85229	0.4
69.32517	4.8
70.21151	0.5
71.01385	8.9
71.77015	0.5
85.02952	1.5
87.00866	0.6
89.02457	9.3
89.03001	0.6
93.03471	1.1
95.01322	0.6
101.02469	4.2
103.98161	0.5
107.05035	2.3
113.02435	3.0
118.05149	0.6
119.03487	3.7
131.03545	0.6
134.03749	3.0
135.04541	100.0
136.04868	4.0
143.03529	1.0
161.04546	0.9
179.03511	86.4
179.05510	2.8
180.03868	4.4
269.52072	0.5
275.72342	0.5
289.12170	0.6
341.10959	2.4
354.79413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	Caffeic acid 3-glucoside
Peak:m/z	Relative Intensity
59.01387	13.8
68.45073	0.5
70.21159	0.4
70.78761	1.1
71.01388	9.4
85.02963	1.2
87.00891	0.9
89.02453	10.6
101.02450	4.4
107.05059	1.0
113.02463	3.2
119.03527	3.8
131.03534	0.8
133.02951	0.7
134.03752	2.0
135.04536	91.2
136.04866	3.8
143.03522	1.1
143.24474	0.5
149.04578	0.7
161.02486	2.3
161.04578	1.5
163.04007	0.5
171.42921	0.5
179.03510	100.0
179.05623	3.5
180.03891	4.6
219.49219	0.5
223.44191	0.6
270.97000	0.6
325.83371	0.5
341.11374	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	341.1088
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.98654	1.0
57.03455	1.5
58.00593	3.0
59.01380	100.0
61.98826	1.3
68.93017	1.1
69.80792	4.7
71.01382	62.5
72.01709	1.4
72.99305	2.8
78.43381	1.1
82.12901	1.0
82.62386	0.9
83.01403	2.0
85.02943	11.0
87.00878	3.3
89.02445	76.3
95.01402	3.4
98.20659	1.4
101.02447	28.9
113.02454	24.3
113.03104	0.6
113.03247	1.0
119.03503	28.2
120.03769	1.2
125.02445	1.1
131.03487	3.3
133.02950	1.1
135.04500	4.4
143.03511	7.8
149.04520	3.2
154.50612	1.2
161.02461	2.5
161.04552	8.8
179.03525	3.1
179.05614	29.8
253.97772	1.1
341.10913	28.5
342.11115	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	339.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88658	0.2
59.02954	0.3
70.46168	0.3
73.09020	0.3
79.95709	1.7
103.37589	0.4
119.05035	1.3
123.01070	0.3
161.17982	0.3
170.00443	2.0
183.01218	55.8
184.01694	3.6
185.02216	0.3
197.02773	3.6
198.03439	0.7
201.99281	0.3
213.29073	0.3
216.00963	1.2
225.05974	1.0
230.02580	0.5
234.92435	0.3
239.07433	1.2
272.54306	0.3
275.23846	0.7
334.48959	0.3
339.19989	100.0
340.20306	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	339.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80058	0.4
59.43361	0.5
91.47659	0.6
108.02170	1.6
121.02937	0.9
122.03741	37.1
123.00912	0.7
123.04041	0.7
123.04444	0.6
124.01659	2.8
135.04527	28.6
136.01660	8.3
136.04898	0.9
137.01912	0.5
149.06076	6.3
163.07620	0.6
163.11343	0.7
177.09160	2.6
183.01218	2.3
191.10748	2.1
199.41675	0.5
205.12337	1.3
229.15172	0.7
261.18478	1.2
269.15402	0.7
283.17093	1.2
297.18661	1.2
323.20364	0.6
337.21866	2.6
339.20081	3.7
339.23276	100.0
340.23608	17.0
340.27734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
59.85256	0.5
90.14028	0.5
108.01042	0.5
108.02179	1.6
118.87257	0.5
121.02947	1.2
122.03745	35.8
123.00870	1.4
123.04128	1.9
124.01662	2.9
135.04532	28.0
135.47766	0.5
136.01677	7.8
136.04886	1.5
149.06068	5.0
163.11281	0.8
175.04903	0.5
177.09259	2.2
183.01208	1.9
191.10789	2.0
205.12265	1.1
219.13795	0.7
232.14949	0.5
261.18622	1.3
283.17053	1.2
297.18628	0.9
323.19910	0.7
336.62506	0.6
337.21692	2.6
339.20044	4.3
339.23285	100.0
340.23615	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	339.1083
Annotation	Macrosphelide B
Peak:m/z	Relative Intensity
58.68018	1.3
59.01380	5.9
61.02716	1.3
61.57227	1.4
67.01891	3.1
68.99838	1.9
69.03453	1.5
69.16662	6.0
69.17091	7.8
71.01382	32.1
72.99313	2.9
74.40579	1.3
75.00874	6.1
81.03452	1.7
83.01392	3.4
84.53429	1.2
87.00884	2.0
91.76945	1.2
95.01383	3.4
96.99364	1.4
97.02906	1.7
97.06593	2.5
99.00826	3.3
107.01369	6.4
110.00088	3.3
111.00876	18.8
123.00878	22.5
124.01673	11.1
125.02448	60.4
126.02771	2.8
127.00368	7.9
134.06058	2.8
136.98807	12.1
137.02452	8.2
139.00371	22.0
139.03998	3.3
140.01163	28.8
141.09216	1.6
151.00380	15.6
153.01944	1.7
154.99902	2.7
155.03481	1.8
165.01938	10.6
166.99922	2.6
168.00639	53.1
169.01422	69.4
169.08717	6.7
176.95200	3.2
179.03566	1.6
181.01408	2.2
183.02971	12.8
197.04552	16.5
211.02496	3.7
223.02475	3.3
241.03528	74.9
242.03999	3.3
317.83347	1.6
321.09808	7.6
339.10834	100.0
340.11157	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	339.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.1
69.21512	12.8
69.55402	1.2
71.01386	34.4
72.01764	1.1
72.99271	1.4
115.00375	32.7
116.00782	1.5
130.08749	6.7
131.09123	1.6
133.01430	23.0
133.10228	2.2
135.11797	15.7
136.12099	1.5
143.30064	1.4
161.09695	2.4
161.47881	1.1
179.10768	100.0
180.11124	6.3
214.11282	1.2
223.09735	24.3
224.10112	2.1
339.20084	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	339.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02401	0.8
59.01383	100.0
71.01388	4.3
71.21176	1.1
71.21524	1.1
72.99306	0.9
73.02952	1.4
78.74709	0.8
85.02955	3.0
87.00948	0.8
93.03456	1.8
93.71958	1.0
94.07874	0.8
97.02991	0.9
99.00900	1.3
101.02438	3.1
105.03458	2.4
112.64184	0.8
113.02440	1.7
131.03488	0.9
133.02979	3.0
148.01678	1.2
159.05440	0.8
161.04512	3.3
166.85594	0.9
176.01056	2.2
176.02376	1.6
177.01939	37.2
178.02342	2.3
182.02229	2.6
188.74733	0.9
191.05652	2.2
192.06049	0.9
203.77789	1.0
205.06149	1.2
226.06256	1.1
227.06807	0.9
279.14514	8.6
325.56479	0.9
339.07144	5.0
339.15594	1.0
349.95367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1998
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
71.30323	0.5
78.66299	0.3
79.95713	1.5
93.30549	0.2
98.95565	0.4
119.05026	1.1
149.63849	0.3
168.49103	0.3
168.73781	0.3
170.00365	1.6
183.01210	45.5
184.01633	3.1
197.02765	2.5
198.03377	0.5
211.04291	0.4
216.00972	0.8
225.05919	1.0
227.59839	0.3
239.07484	0.9
253.09004	0.4
275.23911	0.3
282.80423	0.3
339.19986	100.0
340.20328	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	339.072
Annotation	AESCULIN
Peak:m/z	Relative Intensity
58.36551	0.2
59.01381	2.1
68.30063	0.2
69.54786	0.5
69.55192	0.9
71.01380	0.3
73.04562	0.3
77.04008	0.3
79.10005	0.2
81.03468	0.4
84.12263	0.2
89.03973	2.0
93.03429	0.3
95.01406	0.4
101.02460	0.3
104.02700	0.3
105.03469	3.3
106.03857	0.2
108.02148	0.3
111.00887	0.2
111.04599	0.3
120.02155	0.2
123.00901	1.8
133.02963	8.7
133.65404	0.2
134.03296	0.4
135.00874	0.7
139.00424	0.3
148.01724	0.8
149.02432	0.8
166.99855	1.6
176.01091	3.1
177.01932	100.0
178.02281	5.4
182.02214	7.6
182.03792	0.5
183.02968	2.5
191.05606	0.6
192.05956	0.3
193.06140	0.6
227.07162	0.3
339.07181	15.3
340.07388	1.6
362.35934	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1084
Annotation	Macrosphelide B
Peak:m/z	Relative Intensity
59.01369	2.5
62.10587	0.5
65.00323	0.8
67.01881	0.9
69.03462	1.0
71.01382	9.8
71.01776	0.6
71.52473	0.5
72.99295	0.7
79.01873	0.7
81.03475	0.5
83.01405	0.9
87.00895	0.9
89.02462	0.8
95.01379	1.3
97.02961	1.2
97.06606	2.1
99.00890	2.6
106.00582	0.6
107.01389	10.2
109.02847	0.4
110.00089	0.8
110.66142	0.4
111.00903	3.1
120.24878	0.4
123.00877	6.2
124.01664	1.8
125.02442	64.9
126.02782	2.6
127.00385	1.6
130.08730	0.5
136.98753	2.2
137.02461	1.5
139.00366	4.8
139.04013	1.3
140.01172	5.1
141.01968	0.5
141.37431	0.4
151.00352	3.1
151.04048	0.9
161.02414	0.5
165.01894	0.4
166.99908	0.8
168.00645	7.0
169.01413	100.0
170.01749	4.1
179.03465	0.6
179.10768	1.3
180.05606	0.5
183.02922	1.0
184.03656	0.5
193.01558	0.5
197.04582	2.1
197.82603	0.6
211.02510	1.3
241.03545	2.1
339.10822	38.8
340.11096	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	337.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77137	0.3
56.08803	0.3
57.03448	0.4
59.01373	1.3
64.33745	0.3
67.01887	0.8
71.01385	0.7
71.28125	0.5
81.03469	0.4
83.05032	0.4
85.02954	7.5
87.00878	2.6
93.03461	6.1
93.17583	0.3
94.03746	0.3
109.02959	1.0
111.04543	1.8
119.05038	2.1
127.04008	2.1
145.02968	0.7
161.73224	0.4
163.04010	2.1
171.02968	0.5
173.04572	2.6
190.45554	0.4
191.05611	100.0
192.05959	4.7
192.07539	0.5
200.48907	0.4
250.59525	0.3
309.69363	0.4
313.45840	0.3
337.09222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0928
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
59.01362	1.0
66.60323	0.4
67.01861	0.7
70.26250	1.5
71.01374	0.8
85.02947	7.7
85.51622	0.5
87.00875	2.1
93.03463	7.8
107.26353	0.4
109.02976	0.9
111.04535	1.4
114.14086	0.4
117.03479	0.4
119.05003	2.4
127.04050	2.1
145.03030	0.5
163.04045	2.5
168.57204	0.4
173.04578	2.1
191.05615	100.0
192.05945	4.3
206.92171	0.5
330.46790	0.5
337.09265	2.2
351.57150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.093
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
57.03447	0.5
59.01373	1.5
60.99311	1.1
67.01889	4.5
69.03449	1.4
69.67366	2.3
69.67762	0.7
71.01375	1.5
75.15514	0.5
81.03458	0.8
81.93002	0.4
83.05023	1.0
84.52485	0.4
85.02952	6.0
87.00875	6.5
87.32262	0.4
93.03463	24.2
94.03844	0.6
109.03015	0.7
111.04522	3.6
117.03485	0.4
119.05026	9.8
127.04040	1.5
127.64450	0.4
129.01967	0.7
137.02467	0.6
145.02995	1.2
155.03558	0.9
163.04007	7.9
164.04237	0.5
173.04546	9.6
174.04782	0.5
191.05612	100.0
192.05952	5.1
219.04752	0.5
263.95361	0.5
337.05780	0.7
337.09344	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	337.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17374	0.7
57.03441	1.6
58.00586	1.0
59.01377	41.4
60.99304	2.0
67.01559	0.9
67.01890	6.9
69.03442	1.7
69.53136	1.4
69.53548	3.4
71.01378	17.6
72.99314	1.9
73.02941	7.1
73.50854	0.6
75.00888	0.7
81.03440	1.3
83.01385	1.4
83.05034	1.6
85.02954	13.3
87.00876	11.2
89.02441	12.6
93.03455	33.3
94.03793	1.7
95.01390	2.2
99.00873	2.4
99.04532	0.7
99.08166	2.6
101.02437	10.1
108.60159	0.7
109.02980	1.2
111.00887	1.2
111.04536	6.4
113.02444	7.2
113.99557	1.0
114.02770	0.8
115.00397	1.2
117.03465	1.0
119.03535	4.9
119.05024	15.0
121.02907	1.2
125.02451	4.1
127.03990	2.5
129.01930	1.4
129.09224	11.3
137.02460	4.2
143.03481	1.3
145.02931	1.9
146.06123	1.6
155.03499	2.1
157.08727	4.3
159.10277	0.8
161.04543	2.6
163.04018	16.2
169.01427	2.4
170.82870	0.7
171.10243	1.6
173.04524	12.9
174.04825	1.1
175.09749	26.5
176.07199	1.9
191.05606	100.0
192.05925	5.0
211.07596	1.3
217.10689	1.3
237.09129	0.9
249.04071	1.1
260.34158	0.8
265.08679	1.1
277.12781	1.2
327.08694	4.4
337.09323	7.9
337.15005	71.3
337.59586	2.5
338.09332	0.8
338.15408	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93402	0.5
59.01375	2.7
63.24493	0.4
66.45011	0.5
67.01868	0.6
71.01379	0.9
71.51363	0.5
72.99296	0.9
79.01876	1.1
84.37390	0.4
85.02940	0.8
93.03439	0.7
95.01350	1.5
96.96002	2.1
97.02940	0.6
109.02948	0.6
111.00905	0.7
111.04449	0.8
121.02938	1.1
123.00881	18.9
139.00375	5.5
140.01216	0.6
141.01927	2.0
153.01884	0.8
155.03450	0.6
161.02461	0.6
166.99857	19.9
168.00539	1.6
169.01299	0.8
176.30612	0.6
176.45657	0.5
177.01912	0.9
181.01457	0.7
182.02209	100.0
183.02966	36.2
184.03317	1.9
219.02985	0.5
259.06155	1.0
295.08255	1.0
303.05084	3.1
307.00763	0.6
321.06134	2.2
339.07318	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	339.072
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
59.01373	1.8
59.33355	0.3
65.00321	0.9
65.03960	1.3
67.01892	0.9
69.49397	2.6
71.01382	2.7
73.02943	0.4
80.02687	0.7
91.01895	53.1
92.02232	1.8
108.02183	1.0
109.02954	14.9
110.03266	0.5
115.00369	2.5
117.31742	0.4
121.02948	1.2
122.13777	0.3
123.04556	1.0
133.01445	3.4
133.02939	0.9
133.10178	0.4
135.00891	100.0
135.11783	2.3
136.01163	3.1
137.02469	3.2
149.02438	1.7
151.03914	0.4
153.01941	61.5
154.02295	2.5
161.02467	1.9
163.03993	0.5
177.01936	1.2
177.05588	0.7
179.10780	11.2
180.11093	0.9
189.01904	1.6
218.79306	0.3
223.09723	3.7
224.10274	0.4
228.25725	0.4
279.05200	1.2
297.06259	0.9
339.07205	24.4
340.07538	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	337.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73259	0.8
55.01864	1.0
57.03453	1.3
59.01374	3.6
68.99796	3.4
69.28729	6.8
71.01375	4.1
73.02916	1.9
75.00854	1.7
75.84151	0.9
83.01364	2.1
85.02946	7.5
87.00860	3.8
95.01358	1.3
98.20678	1.7
99.00883	5.3
101.02437	3.1
102.54355	0.9
104.08028	1.0
107.51253	1.0
111.00870	2.4
112.98816	0.9
113.02448	8.4
113.98844	1.3
113.99585	18.8
115.00394	7.4
127.00395	4.6
129.01939	2.4
131.01511	1.0
139.00406	0.9
157.01392	5.1
162.96622	0.9
169.01503	1.3
174.01671	22.4
175.02405	4.4
189.99176	0.9
200.52365	0.9
213.55028	1.0
215.69850	0.9
277.02661	1.9
277.05634	19.0
292.29001	0.9
330.16098	0.9
337.07742	100.0
338.08090	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	337.0777
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
53.24112	0.8
55.01881	1.1
57.03429	1.0
58.92595	0.7
59.01377	5.6
68.99802	2.5
69.03448	0.9
70.98098	0.9
70.98420	1.1
71.01380	6.5
73.02938	3.4
83.01373	3.0
85.02949	8.7
87.00875	3.5
95.01397	1.0
97.02963	0.9
99.00871	5.2
101.02441	5.3
111.00887	1.9
113.02456	7.3
113.99583	17.9
115.00390	7.1
127.00321	3.6
129.01952	2.2
134.16025	0.8
135.99065	0.9
157.01448	4.2
174.01686	17.2
175.02501	4.4
175.06116	2.0
189.16336	0.8
277.05640	22.0
337.07758	100.0
337.11093	4.4
338.08075	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	337.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.7
67.01888	0.8
68.99815	2.6
70.92513	1.8
71.01383	4.4
73.02943	2.2
75.00886	1.1
83.01419	1.9
85.02956	9.5
87.00872	3.4
89.02451	1.6
93.02924	1.0
93.03468	6.3
95.01379	1.5
99.00879	5.9
101.02441	3.1
109.82851	0.7
111.00872	2.0
113.02445	7.4
113.98843	1.3
113.99598	19.7
115.00399	8.5
119.05019	1.8
127.00355	2.9
129.01930	3.7
137.02411	2.2
139.00404	1.2
157.01402	5.3
169.01439	1.1
173.04512	2.3
174.01700	17.6
175.02425	2.5
175.06198	0.7
175.09718	1.0
191.05640	7.1
204.56044	0.9
277.05655	22.7
278.05994	1.8
302.65491	1.0
323.83417	0.9
337.07767	100.0
338.08139	8.5
352.67358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2591
Annotation	5beta-Pregnane-3alpha,17alpha,20alpha-triol
Peak:m/z	Relative Intensity
50.78673	0.2
60.28577	0.2
78.18412	0.2
98.19936	0.4
108.02167	2.4
113.09708	0.2
121.02953	0.3
122.03735	22.1
123.00842	0.3
123.03970	0.8
124.01682	1.4
126.91788	0.2
135.04535	1.3
136.01662	3.1
137.02408	0.2
145.40840	0.2
149.06076	0.3
168.00618	0.3
175.07289	0.2
183.02972	5.6
184.03345	0.3
221.15514	0.4
249.14925	0.7
317.24796	1.4
333.24292	6.4
334.24594	0.7
335.25891	100.0
336.26227	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	336.9398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39452	0.4
53.40320	0.5
59.01381	1.7
61.98819	1.7
71.50304	1.1
96.96049	0.6
119.93719	0.6
122.13515	0.5
128.03523	0.5
134.96091	35.4
135.96198	2.3
136.94012	61.4
137.94092	4.8
151.92711	4.9
152.91760	31.6
167.90479	3.9
178.95059	100.0
179.95174	6.9
194.92809	50.4
210.90736	1.0
212.93871	2.0
247.87152	2.5
248.37230	1.4
248.87021	1.5
250.93918	2.2
252.91820	2.4
256.87726	4.9
274.88718	9.4
275.88812	2.0
276.86652	1.1
287.85040	3.1
288.35074	1.2
288.84973	0.9
292.94983	8.2
293.95151	0.6
294.92902	14.8
295.92987	1.5
336.83215	1.7
336.93964	68.6
337.94177	8.2
354.84348	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	337.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54167	0.8
69.32014	3.3
69.32446	2.7
83.01386	1.0
98.19930	1.4
111.00867	2.2
112.01219	0.9
124.01646	3.2
125.01971	1.7
126.02136	1.3
127.00381	1.6
128.00720	0.9
129.00821	0.9
136.98831	1.2
139.00366	2.0
140.01096	3.7
141.01530	1.6
142.01591	1.1
168.00667	5.2
169.00963	2.5
170.01108	5.5
183.02983	84.6
184.01591	1.3
184.03325	53.8
185.03455	100.0
186.03767	3.1
215.94748	0.8
234.84488	0.9
337.04657	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50387	0.6
65.00306	0.6
69.21545	4.1
92.66911	0.6
107.80061	0.6
111.00922	3.3
112.01186	1.0
116.80772	0.6
124.01683	3.9
125.01995	1.7
126.02064	1.4
127.00397	0.9
136.98778	2.0
137.99190	0.8
138.99367	1.1
139.00380	3.5
140.01210	3.8
141.01552	1.1
142.01637	1.6
154.99832	0.7
168.00650	5.2
169.00970	2.9
170.01083	5.5
183.02982	78.1
184.01630	1.4
184.03323	53.0
185.03464	100.0
186.03761	4.4
226.56633	0.6
237.56169	0.6
315.81354	0.6
316.23853	0.7
337.04633	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	337.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42340	1.7
59.01373	6.2
65.00308	3.2
71.01380	4.4
71.50706	1.8
72.99338	2.1
75.00842	3.3
82.88511	1.5
83.01394	1.9
85.02937	4.5
86.91842	1.5
87.00869	2.9
89.02434	2.0
93.03471	11.7
95.01417	8.7
97.02940	9.1
98.00098	2.7
99.00914	1.7
101.02435	3.7
105.03454	2.0
111.00877	7.9
113.02496	2.2
117.03458	6.7
119.05009	5.2
120.05341	1.7
121.02978	2.6
123.00871	5.6
125.19296	1.6
129.03485	2.8
133.02927	6.4
139.00356	5.9
140.01172	1.8
145.02942	14.3
147.04529	3.0
149.02435	1.7
151.00380	5.4
153.01920	19.8
155.03488	5.1
157.02951	3.9
157.68706	1.8
161.02451	15.4
162.03166	2.8
163.00359	5.6
163.03993	8.0
168.00610	3.8
171.03015	10.4
173.02396	13.2
173.04529	4.5
174.03139	5.1
175.03976	3.4
177.01932	3.5
180.99965	2.9
181.01433	33.9
182.02130	2.7
183.02989	46.4
184.03358	2.7
185.02466	2.5
189.01921	22.4
190.02708	12.6
191.03404	4.9
191.05594	48.0
192.00630	4.3
192.05980	1.8
193.01384	2.4
193.98503	1.9
194.99258	9.0
201.01918	21.0
202.02618	3.1
203.03493	6.1
205.01360	3.3
205.05032	4.4
207.03020	1.9
207.99875	1.9
216.99416	3.3
217.01419	44.0
218.02158	20.4
219.02745	3.9
221.04451	3.0
222.01767	4.4
223.02431	5.3
225.04007	4.8
229.01399	22.6
230.01703	2.2
231.02878	3.6
232.00151	2.1
233.04539	10.5
235.02446	6.9
245.00893	40.1
246.01599	19.0
247.02173	2.0
249.04034	14.1
259.02451	3.4
261.04007	27.5
272.37967	1.6
273.00394	70.5
273.03348	3.8
274.00693	6.0
277.03516	13.2
278.04099	2.6
287.01895	3.5
291.04858	1.8
293.06589	3.5
305.03030	76.1
306.03488	8.1
309.06143	3.8
337.05630	100.0
337.14871	4.4
338.05841	12.4
359.02545	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	333.2433
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
50.13272	0.4
68.20573	0.4
69.46491	0.4
70.34851	1.0
70.35249	1.0
75.10758	0.5
95.11515	0.4
108.02186	6.7
117.46336	0.4
121.02916	0.8
122.03737	31.1
123.00854	0.7
123.04092	1.4
124.01653	1.1
135.04515	4.7
136.01663	3.9
191.10706	1.1
201.33289	0.4
239.09631	0.4
247.16982	1.7
263.16479	2.1
300.99887	0.6
314.97910	0.7
315.23257	2.4
331.22717	1.4
333.02570	0.8
333.24335	100.0
334.24692	12.7
334.28693	0.9
340.16562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.2
55.77595	0.1
65.00331	0.2
67.01894	0.2
68.99816	0.2
69.88828	0.8
69.89124	0.2
71.01383	0.2
82.00596	0.3
83.01379	0.2
87.00883	0.2
89.07348	0.2
94.12284	0.2
97.43429	0.1
98.19938	0.3
103.94923	0.2
110.00098	0.4
111.00879	2.0
123.00838	0.3
124.01640	2.9
127.00423	0.8
136.98802	1.4
139.00366	1.8
140.01164	3.2
154.99886	0.3
168.00629	5.8
175.64601	0.2
183.02977	100.0
184.03308	5.2
335.04169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	26.8
71.01382	15.0
71.50202	3.1
72.99326	2.2
82.06711	1.8
85.02953	4.7
89.02441	15.6
93.03460	54.7
93.04026	3.7
94.03786	1.9
95.01392	2.5
96.22533	1.6
96.49641	1.5
101.02427	8.4
111.00941	2.4
111.04536	3.3
113.02473	4.8
117.84605	1.7
119.03483	4.6
137.02446	100.0
138.02789	2.6
145.03099	2.2
155.03505	1.6
155.05338	2.2
155.07115	2.6
179.05632	2.2
183.03021	3.6
191.03482	2.7
206.55014	1.8
265.74438	1.8
293.12546	1.9
299.07590	3.0
335.13431	19.8
336.13190	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	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
57.03432	1.0
57.18085	0.9
58.00583	3.3
59.01379	100.0
60.01708	1.3
69.67312	1.7
69.67703	4.6
71.01380	47.5
72.99309	3.1
73.02956	1.0
83.01382	2.6
84.45873	1.1
85.02966	9.1
87.00914	1.2
89.02446	53.9
95.01394	4.2
98.20631	1.7
99.00899	0.9
101.02438	33.3
109.62196	0.9
111.08167	1.5
113.02442	17.2
117.46546	0.9
117.91520	0.9
119.03497	24.3
131.03479	1.2
137.02449	1.3
143.03465	2.5
143.31812	0.9
146.09898	1.0
149.04651	1.0
155.07153	7.1
161.04622	0.9
173.08211	3.8
176.29395	1.0
179.05617	2.7
247.02531	1.2
334.61682	1.1
335.13458	90.5
336.13806	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	335.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18079	0.2
69.45176	1.2
69.45581	0.3
86.70667	0.2
98.20653	0.4
105.76047	0.3
108.02174	2.8
117.12151	0.2
119.61595	0.2
121.02962	0.4
122.03735	24.6
123.03997	0.5
124.01660	1.2
135.04503	1.0
136.01648	2.9
168.00685	0.3
171.53409	0.2
176.18343	0.2
183.02985	5.4
184.03487	0.3
205.12186	0.3
207.13980	0.4
224.96649	0.2
235.13374	0.8
236.13608	0.3
295.56854	0.2
317.25000	1.1
318.25208	0.3
333.24374	6.2
334.24738	0.8
335.25900	100.0
336.26242	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	332.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56193	1.2
59.01381	29.5
60.01706	3.8
64.92844	1.1
69.96042	3.0
71.01386	11.8
72.01713	3.4
78.95912	2.8
80.02251	1.4
85.02977	2.2
87.00922	1.1
89.02442	8.5
90.02789	1.5
95.01409	1.8
96.01697	1.3
98.19942	1.8
101.02436	4.1
102.38348	1.0
107.01408	4.3
108.01735	3.8
113.02425	2.3
114.02777	2.1
115.88226	1.1
119.03528	1.3
123.00876	12.7
124.01125	8.0
125.02466	29.2
126.02783	20.3
127.02889	1.3
139.00354	3.6
140.00687	3.1
141.02010	1.3
151.00381	9.8
152.00725	10.0
167.78233	1.3
168.00679	7.6
169.01422	39.4
170.01778	44.7
171.01875	3.1
178.39331	1.1
206.96181	1.1
211.02428	6.1
212.02817	12.7
242.03824	2.9
256.83328	1.2
271.04504	1.7
272.04892	12.8
314.05994	1.6
332.07047	100.0
333.07117	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	333.2434
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
64.08396	0.2
82.73077	0.2
98.19765	0.4
108.02187	2.5
116.48871	0.2
121.02979	0.4
122.03736	20.4
123.00867	0.7
123.04006	0.5
124.01633	1.2
124.08434	0.2
135.04524	7.9
136.01657	3.2
136.05351	0.5
139.27631	0.2
149.06088	1.6
149.29515	0.2
152.95830	0.2
155.27820	0.2
162.73753	0.2
163.07507	0.3
164.34393	0.2
177.09221	2.1
191.10764	0.6
205.12381	0.4
219.13869	0.8
221.15395	0.5
249.14946	14.8
250.15378	1.1
273.18521	1.3
315.23267	13.7
316.23587	2.1
331.22754	3.0
332.22989	0.4
333.24338	100.0
334.24673	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	333.2434
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
51.58110	0.3
61.76553	0.3
67.89847	0.3
70.25459	1.2
70.51162	0.3
82.77706	0.3
99.34274	0.3
100.35771	0.3
100.40141	0.3
108.02191	2.8
109.50202	0.3
121.02945	0.7
122.03737	20.6
123.00905	0.8
123.04126	1.0
124.01640	1.2
135.04524	7.4
136.01651	4.1
142.38057	0.3
149.06075	1.2
150.83356	0.3
177.09248	0.6
205.12354	0.7
207.13878	0.4
235.13397	17.7
236.13695	1.5
259.17017	1.1
262.04065	0.3
315.23294	9.5
316.23636	0.9
331.22720	2.9
333.24335	100.0
334.24689	11.8
338.81461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2436
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
60.33224	0.3
71.01394	0.3
108.02177	5.2
121.02953	0.9
122.03739	25.5
123.00851	0.5
123.04079	0.9
124.01643	1.2
135.04524	2.7
136.01665	3.4
137.06061	0.4
149.06119	0.4
153.01891	0.5
182.02371	0.3
185.06882	0.3
185.78276	0.3
205.12328	0.4
209.19034	0.3
233.15402	0.7
314.98004	0.4
315.23068	0.5
331.22769	0.7
333.24338	100.0
334.24673	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	331.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
58.00574	0.6
59.01374	6.7
69.48925	3.5
70.45067	0.7
70.78968	0.6
71.01379	5.6
72.99309	0.6
73.02962	0.9
79.95737	1.0
85.02953	2.4
89.02444	4.2
96.96011	93.4
98.20645	1.3
99.00894	0.8
101.02441	4.7
113.02461	3.0
119.03485	1.6
123.44322	0.6
125.02464	3.3
159.02954	0.6
161.04520	1.6
168.00648	1.3
169.01459	3.8
197.06195	0.6
198.20012	0.6
211.02448	4.3
271.04617	6.5
313.61002	0.6
331.12192	100.0
332.12531	8.9
350.69431	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1763
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.01885	4.9
57.03453	4.6
58.00594	3.3
59.01381	58.2
63.46969	0.8
69.03443	0.9
71.01383	100.0
71.51881	1.8
72.01704	0.9
72.99308	4.3
73.02946	29.4
75.00848	1.2
81.19491	0.9
83.01391	11.3
83.05042	1.6
85.02953	39.1
85.03470	2.1
86.00118	2.5
87.00875	13.6
89.02448	30.4
94.99738	0.8
95.01397	8.6
97.02947	2.3
99.00879	11.1
101.02442	64.0
102.02779	2.7
107.40360	0.9
108.21596	0.9
111.00828	1.3
113.02457	41.1
114.02732	1.3
119.03480	9.1
123.00909	0.8
124.01689	1.0
125.02467	9.7
129.01920	1.2
131.03496	16.0
131.04457	1.3
134.96489	0.8
143.03506	3.4
149.99599	2.6
151.11320	5.6
159.02985	8.0
161.04555	38.1
168.00627	6.6
169.01334	2.9
211.02553	1.6
221.06683	16.8
271.04535	1.3
275.01733	0.9
313.05731	1.0
331.06741	12.0
331.10764	1.1
331.12177	1.0
331.17511	3.3
346.90475	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.0
57.03444	4.6
58.00594	4.0
59.01379	77.9
60.01718	0.8
60.27818	0.5
68.99842	0.6
69.03448	1.9
71.01380	100.0
71.08451	0.6
71.08784	0.6
72.01720	1.6
72.99309	5.2
73.02946	21.6
74.02493	0.7
75.00867	2.3
81.03443	0.6
83.01387	11.2
84.02146	0.6
85.02950	36.4
85.06561	0.8
86.03286	0.9
87.00866	4.2
89.02444	58.4
90.02764	1.3
95.01387	8.5
97.02930	2.0
97.06592	0.8
99.00878	8.1
101.02439	70.5
102.02738	1.2
113.02449	44.2
114.02804	0.8
116.02659	0.8
119.03501	26.3
120.03829	0.7
123.00840	0.8
125.02452	5.2
129.01854	1.3
131.01427	0.9
131.03453	1.9
143.03505	4.1
147.04562	0.6
149.04488	1.2
151.11208	1.8
153.01881	1.2
159.01900	0.6
159.02994	6.1
161.04541	23.4
161.05873	1.3
169.01331	2.2
169.12381	2.8
172.01540	1.2
179.05571	3.6
187.00273	1.0
203.03355	2.2
211.02396	1.2
211.13120	0.5
214.99710	1.1
216.00395	0.6
219.02853	1.1
231.02763	2.0
247.02394	0.9
251.05368	1.5
259.02219	1.3
271.04633	2.9
271.99286	1.9
275.01910	5.7
287.01859	3.1
299.98889	0.9
303.01425	2.8
330.97165	0.8
331.01117	3.0
331.06326	1.8
331.11740	0.6
331.17587	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	331.2279
Annotation	2beta,3beta-Dihydroxy-5alpha-pregn-17(E)-en-16-one
Peak:m/z	Relative Intensity
59.01367	1.0
69.78835	0.5
81.67638	0.5
95.01344	0.5
99.84266	0.6
108.02194	3.2
110.17979	0.5
112.97931	0.5
122.03746	28.1
123.00889	1.2
124.01654	2.3
125.02413	1.1
135.04524	17.0
136.01689	7.1
149.06076	2.6
150.13815	0.5
153.01953	0.8
166.49205	0.6
169.01416	1.0
177.09167	1.8
191.10803	1.2
211.02484	0.6
233.15565	0.7
242.99222	0.5
259.17032	0.8
263.16486	2.0
287.20160	24.1
288.20416	1.8
299.98959	1.1
301.21838	1.5
303.23318	0.8
303.94351	0.6
306.94995	0.6
311.20227	2.5
313.21744	27.8
314.21982	2.7
321.65607	0.6
329.21133	0.9
331.06647	2.2
331.22778	100.0
332.16913	0.7
332.23102	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	331.1034
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
56.10631	0.5
57.03421	0.6
59.01363	2.8
59.38152	0.5
69.86877	0.5
71.01373	2.5
71.35996	1.0
72.99272	0.6
73.02977	0.7
80.69741	0.6
82.00599	1.0
83.01376	0.7
85.02953	3.2
87.00871	0.6
89.02437	0.8
95.01400	1.1
97.02921	0.8
101.02435	1.3
107.01405	1.1
110.00105	7.4
112.08974	0.5
113.02449	3.2
123.00877	2.7
124.01643	1.6
125.02457	23.2
126.02831	1.1
128.16473	0.5
134.38226	0.5
137.02396	0.9
137.99602	9.0
139.00368	2.2
140.01158	1.8
149.99579	1.3
151.00357	3.6
151.01442	0.5
151.04063	0.8
151.47296	0.5
152.01215	3.0
153.01936	100.0
154.02611	5.4
155.03477	2.2
161.04613	1.0
166.02698	0.7
167.03505	11.7
168.00630	3.2
168.04280	51.6
169.01434	23.1
169.05058	9.8
170.01775	1.2
179.03494	0.9
191.03410	1.0
194.02190	0.6
209.04547	1.3
211.02516	2.7
211.06049	1.1
271.04404	2.9
313.05725	1.0
331.06689	10.4
331.10370	3.4
332.07159	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	331.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62173	0.2
55.01879	0.6
59.01076	0.3
59.01379	7.0
71.01382	7.4
72.99326	0.4
73.02941	1.2
74.02480	0.6
79.95355	0.3
79.95721	1.5
83.01390	0.7
85.02953	2.3
87.00887	0.4
89.02443	4.2
95.01373	0.6
95.05005	0.3
96.96012	100.0
99.00888	0.3
101.02440	4.2
107.01409	0.5
109.02999	0.4
111.00887	0.4
113.02444	3.6
119.03509	1.9
119.04990	0.3
123.00867	0.8
124.01674	0.4
125.02451	3.5
132.50230	0.3
139.00439	0.4
140.01178	0.3
143.03459	0.3
151.00420	0.6
153.01927	0.4
161.04536	0.9
168.00642	1.5
169.01404	3.7
183.10249	0.8
203.03575	0.8
209.00859	0.4
211.02473	3.0
231.03017	0.4
241.03596	0.3
243.06708	0.4
259.02368	0.6
271.04605	4.5
271.07214	0.3
274.27960	0.3
287.01947	1.9
287.05243	0.6
287.10355	0.9
299.99341	0.3
331.12180	83.3
332.12491	7.8
332.21036	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98314	0.6
57.03465	0.8
58.00576	0.7
59.01377	25.1
67.01873	1.3
71.01379	12.0
71.19469	1.5
72.99284	1.0
74.93987	0.6
79.01897	2.2
85.02944	3.2
89.02447	9.4
95.01376	3.2
101.02434	5.9
107.01391	4.0
111.87191	0.7
113.02435	4.7
119.03473	3.6
123.00883	17.4
124.01708	1.4
125.02447	30.2
126.02826	0.9
139.00362	4.9
139.04051	0.7
140.01132	1.6
141.01958	2.0
149.99574	1.2
150.99197	1.2
151.00372	19.2
152.00655	0.7
153.02034	1.0
167.03450	0.8
168.00699	6.5
169.01422	59.9
170.01764	2.5
186.53267	0.7
193.01407	1.8
211.02469	15.8
212.02870	0.8
218.94989	0.6
241.03563	1.9
271.04575	14.9
272.04700	0.8
302.58148	0.6
331.06689	100.0
332.07050	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	331.067
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.29088	0.6
59.01379	1.0
64.46284	0.7
69.03441	2.7
69.67901	3.0
69.68316	1.0
74.99028	0.7
79.01894	2.5
81.03468	0.9
83.01384	1.8
88.05669	0.7
95.01379	0.9
97.02944	3.5
98.20601	1.2
107.01363	3.4
123.00885	6.4
124.01660	17.5
125.02446	76.5
126.02760	2.9
149.99583	34.0
150.00554	0.6
151.00197	2.7
153.02072	0.7
168.00636	65.7
169.01413	20.4
211.02502	1.1
271.04587	0.8
313.05704	6.3
331.06693	100.0
332.07068	8.7
337.40152	0.8
353.47882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.49946	0.7
53.14712	0.6
59.01378	10.5
69.03452	1.1
71.01382	7.0
71.51607	1.2
72.99310	1.1
73.02933	2.1
82.03001	1.3
83.01381	1.3
85.02956	2.0
89.02447	3.8
90.51528	0.6
93.03454	0.7
95.01395	0.7
96.96015	0.9
97.02940	0.9
100.78700	0.6
101.02446	2.4
105.34207	0.7
107.01364	5.1
109.02955	14.3
110.03293	0.7
111.00887	2.9
113.02454	1.2
119.03448	1.3
120.99651	0.8
121.02956	3.4
123.00893	4.1
124.01604	2.9
125.02449	28.6
126.02753	0.6
136.98808	1.8
137.02444	0.7
139.00388	3.5
139.04005	0.8
140.01154	4.2
149.02440	0.6
151.00363	2.6
153.01892	1.3
163.04019	1.4
165.01944	4.3
167.03529	2.0
168.00639	15.5
169.01427	35.4
170.01788	1.1
177.01859	1.0
183.03053	0.6
183.10222	3.4
189.01915	1.1
211.02481	61.5
212.02814	4.0
214.78113	0.7
227.14667	0.6
241.03485	1.7
269.09888	0.6
271.04581	100.0
272.04849	7.2
287.02032	1.9
287.05618	4.0
287.10367	2.6
331.06784	6.8
331.13617	1.4
331.17548	0.9
332.07272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0671
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01377	16.7
61.89803	0.8
69.63394	5.5
69.63685	1.8
71.01379	8.8
72.99315	1.1
73.72047	0.9
75.68981	0.9
79.01900	1.6
85.02949	2.2
89.02475	6.0
95.01412	1.6
101.02444	3.5
107.01398	3.9
113.02460	2.4
119.03516	1.5
122.48935	1.0
123.00882	10.6
124.01675	1.3
125.02455	19.8
128.08044	0.8
139.00359	3.4
141.01891	1.1
151.00391	14.3
168.00647	3.1
169.01430	44.3
170.01759	2.0
193.01468	1.2
197.90823	0.9
211.02522	9.7
241.03619	1.0
264.44165	1.1
271.04599	13.4
331.06714	100.0
332.07092	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	331.0096
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47343	0.5
59.01382	3.8
62.78929	0.5
65.00337	0.6
68.65459	0.4
71.01380	4.6
71.51765	0.6
73.02950	1.4
73.95934	0.4
83.01412	1.0
85.02927	2.1
89.02444	1.4
89.03973	0.6
96.96012	1.6
97.02984	0.5
99.00871	0.7
101.02418	2.0
103.05539	0.9
111.00827	0.5
113.02467	2.4
115.05550	0.8
119.03507	0.6
119.05000	0.9
123.00981	0.9
124.01620	0.4
125.02452	3.9
130.04247	0.6
131.05035	4.0
133.02966	0.6
137.60374	0.4
143.05003	1.7
145.02974	0.6
147.00932	0.4
147.04526	3.4
151.00385	1.0
153.01955	0.9
157.02980	0.9
158.03708	1.0
159.04512	8.4
161.04565	0.6
168.00586	2.0
168.02991	0.9
169.01422	4.8
169.03070	1.4
171.04546	1.6
173.02408	0.7
174.03233	1.0
175.03993	5.1
176.01109	0.4
176.04362	0.5
177.01942	0.7
178.54417	0.4
185.02478	2.1
187.04002	6.5
188.01085	0.5
189.01927	0.8
193.05048	0.9
197.02399	1.2
201.01965	1.1
202.02640	2.1
203.03497	27.7
204.03862	1.5
210.03050	0.4
211.02498	3.4
213.01894	3.4
214.02705	1.0
215.03435	4.6
216.00497	2.1
217.01341	0.6
229.01341	0.6
230.02130	0.9
231.02983	19.7
232.03284	1.4
241.01469	2.8
242.02141	1.6
243.02924	3.0
243.06952	0.6
244.00218	2.0
258.01727	2.7
259.02454	28.8
260.02795	1.9
269.00696	0.8
271.04562	5.9
272.05310	0.4
287.01965	100.0
288.02316	7.5
292.31238	0.5
303.01404	1.3
317.66394	0.5
320.76178	0.4
331.00943	21.1
331.06516	3.3
331.12390	1.9
331.17462	1.1
332.01129	1.9
341.66418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
53.52927	0.4
58.00594	1.8
59.01378	4.1
71.01399	0.6
72.99297	0.5
76.33025	0.5
82.71706	0.5
98.19908	1.7
99.08159	8.3
103.47251	0.4
112.56522	0.4
113.09725	0.6
121.60663	0.4
127.07662	1.2
129.09218	6.5
151.11281	0.6
153.12825	0.6
169.12376	4.1
172.96188	0.4
181.12346	4.4
183.13939	2.1
193.12355	1.2
197.11798	2.1
199.13397	18.8
200.13721	1.0
209.06805	0.5
211.13397	13.9
211.15428	0.7
212.13710	1.1
227.12897	0.7
229.14435	1.7
274.85706	0.4
275.20255	0.7
293.21225	3.7
311.22217	3.0
329.23325	100.0
330.23660	9.6
335.16318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2484
Annotation	7Z, 10Z, 13Z, 16Z, 19Z-docosapentaenoic acid
Peak:m/z	Relative Intensity
69.13194	5.0
69.13606	2.4
93.19104	0.7
94.87117	0.6
98.20654	1.6
99.96812	0.6
101.08792	0.7
106.03341	0.7
122.03739	21.4
123.04030	0.9
124.01672	1.3
135.04517	14.2
136.01657	4.4
149.06065	2.3
177.09166	1.3
191.10777	1.4
218.13062	1.2
271.11063	0.7
329.24835	100.0
330.25134	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	330.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.9
58.00576	2.7
58.69738	1.4
59.01381	100.0
60.01713	2.2
60.33273	1.1
68.72212	1.0
69.81710	1.3
69.93963	3.6
69.94356	2.6
71.01382	47.0
72.01752	1.5
72.08591	1.3
72.99310	3.7
73.02939	2.4
76.12527	1.2
83.01387	2.5
85.02955	8.5
87.00902	3.6
89.02448	52.1
92.73547	1.4
95.01408	3.1
101.02441	28.0
113.02460	23.5
119.03503	19.9
122.03727	1.8
123.00835	1.9
125.02454	3.5
138.02043	6.6
143.03500	3.3
148.38341	1.3
151.02756	2.6
151.86443	1.2
152.03534	18.1
161.04594	2.1
166.01469	6.3
168.03030	68.3
169.01421	4.7
169.03374	2.5
172.73117	1.2
179.05598	3.3
179.40773	1.3
180.03006	1.9
188.12599	1.3
192.03008	3.2
210.04074	12.3
211.02483	2.6
218.65855	1.1
222.03949	6.2
240.05183	3.2
270.06174	2.6
270.55646	1.2
271.04529	4.1
330.08286	68.9
331.08493	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
57.03451	0.8
59.01373	0.8
64.67130	0.4
69.03452	0.4
83.05040	0.6
85.02935	0.4
86.33543	0.4
87.64790	0.3
92.86886	0.3
94.30415	0.3
97.06571	0.9
99.08160	6.4
125.09704	1.6
127.11300	2.9
139.11285	2.9
155.10799	0.7
155.14401	0.9
165.12828	1.1
167.10703	0.6
167.14420	1.8
171.10284	8.1
183.13895	6.2
193.12341	2.3
194.89824	0.4
199.13432	0.7
209.11810	1.8
211.13391	33.3
212.13724	2.6
229.14442	19.4
229.16795	0.6
230.14742	1.4
293.21289	0.6
311.22208	1.2
315.65463	0.4
322.56726	0.4
329.23322	100.0
330.23669	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	329.2332
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
50.33672	0.4
57.03445	0.9
59.01362	1.6
63.63736	0.4
69.03444	0.6
71.01369	0.8
71.05026	0.6
71.52252	0.5
80.02663	0.5
83.05017	0.7
85.02947	0.8
90.81557	0.4
97.06595	0.5
99.08150	6.3
119.25803	0.4
123.68398	0.4
125.09695	1.9
127.11304	3.1
135.04398	0.4
155.14420	1.0
165.12828	1.0
167.10768	0.9
167.14389	0.9
171.10281	3.2
182.84447	0.4
183.02921	0.6
183.13901	6.4
185.11676	0.4
193.12389	2.1
195.13510	0.4
199.13385	0.6
200.52336	0.4
201.15132	0.4
209.11790	2.2
211.13380	36.1
212.13731	2.6
229.14423	19.7
230.14801	1.4
269.74475	0.4
293.21182	0.8
311.22192	1.0
329.02927	1.4
329.23303	100.0
330.23624	9.8
330.27667	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0878
Annotation	Phaseoloidin
Peak:m/z	Relative Intensity
53.75142	0.5
59.01369	2.1
71.01383	2.1
71.14276	1.2
79.01885	0.6
79.02612	0.7
79.95727	0.6
81.03469	0.5
83.01358	0.6
85.02958	0.6
89.02487	0.5
95.01369	0.8
101.02474	0.6
105.83999	0.4
107.01408	1.3
108.02174	56.9
109.02477	1.6
111.00857	0.8
113.02459	0.6
118.48041	0.4
121.02980	1.0
123.00899	1.9
123.04523	24.4
124.01662	0.7
124.04832	0.6
125.02448	2.3
137.02423	1.6
138.03207	1.5
139.04021	0.8
149.02478	0.8
152.01151	39.5
153.01566	1.2
166.02742	0.9
167.03493	100.0
168.03806	4.5
169.01408	5.6
206.94963	0.6
329.05200	1.1
329.08975	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	329.0881
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.84004	1.5
55.01884	1.8
58.00598	4.9
59.01387	87.9
67.01913	1.4
70.93108	1.4
70.93430	3.6
71.01392	46.9
72.99282	2.4
73.02947	2.5
83.01415	2.1
85.02975	13.3
87.00901	2.7
89.02460	41.5
91.01904	2.4
93.03506	1.7
95.01387	5.8
99.00893	1.5
101.02448	21.7
107.01398	3.4
107.05070	1.7
108.02183	4.1
109.02949	5.4
113.02460	18.5
119.03508	13.0
121.02962	2.0
123.00921	10.8
123.04549	21.5
124.04850	1.8
125.02436	3.7
149.02473	2.2
150.03238	2.4
151.00313	7.5
151.04059	1.6
152.01164	11.6
153.00711	22.0
153.01895	3.3
165.01869	1.7
165.05595	2.0
166.02654	6.0
167.03514	81.4
167.07187	1.9
168.03821	2.9
178.32062	1.4
179.05537	1.7
180.83150	1.7
181.05103	13.6
194.02243	4.4
197.04575	3.6
209.04570	48.0
210.04889	3.2
239.05630	4.1
241.82095	1.5
269.06656	8.6
292.13065	1.7
329.08804	100.0
330.04721	10.3
330.09164	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34619	0.9
57.03485	0.7
59.01384	100.0
60.01706	1.3
64.28717	0.9
71.01389	13.5
71.09679	1.7
72.99319	1.1
73.02943	3.0
77.49776	0.8
83.01389	1.2
85.02962	4.5
89.02453	8.9
89.92447	0.7
95.01398	2.0
101.02445	8.1
113.02466	6.1
119.03532	3.8
122.03793	0.7
125.02515	0.9
131.97459	0.8
138.02025	1.3
143.03503	1.4
151.02722	0.8
152.03505	4.6
157.25706	0.9
161.04541	3.5
166.01425	0.9
168.03020	15.0
179.05598	1.0
192.02911	1.0
210.04103	3.2
222.04102	1.6
239.04369	0.8
269.10294	3.1
330.08295	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	327.2328
Annotation	Grifolin
Peak:m/z	Relative Intensity
53.80680	0.2
59.01402	0.2
59.71370	0.2
63.42699	0.1
66.18526	0.1
69.34077	0.2
70.50724	0.6
96.43877	0.2
98.20591	0.2
108.02187	0.9
121.02974	0.9
122.03737	31.7
123.00900	1.0
123.04100	0.9
124.01659	2.5
135.04523	21.1
136.01662	6.9
136.04784	1.1
137.02269	0.2
147.10802	0.2
148.05284	0.6
149.06070	4.3
150.06473	0.2
151.90372	0.2
153.01929	0.2
163.07599	0.5
169.04778	0.2
177.09193	3.0
185.00803	0.3
191.10765	1.9
192.11526	0.3
194.99393	0.4
196.90782	0.2
205.12358	1.0
219.13853	0.5
246.16309	0.2
258.16141	0.2
261.18518	0.2
261.43622	0.2
269.15564	0.2
283.17242	0.2
297.18527	1.3
311.20184	1.0
319.61661	0.2
325.21689	5.9
326.22113	0.6
327.23279	100.0
328.23608	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	327.2328
Annotation	Grifolin
Peak:m/z	Relative Intensity
52.21653	0.5
58.02586	0.5
60.51257	0.5
61.47470	0.5
69.13232	5.6
82.77229	0.5
83.05009	0.9
105.62563	0.5
108.02115	1.1
121.02946	1.4
122.03738	28.8
123.00892	0.8
123.04014	0.7
124.01667	2.5
135.04526	19.8
136.01659	6.8
136.05212	0.8
148.05333	0.7
149.06073	4.0
177.09193	2.2
184.01601	0.6
185.00803	1.9
191.10782	2.0
205.12306	1.2
233.15506	0.8
297.18521	1.1
311.20108	0.6
325.21710	6.1
326.21893	0.6
327.18744	3.5
327.23276	100.0
328.23608	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	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.30584	0.3
51.33561	0.4
51.79984	0.3
57.03440	1.0
59.01373	3.1
61.32231	0.3
65.00317	0.8
71.01376	2.1
71.32436	0.3
71.51379	0.4
73.02932	0.5
79.95733	5.1
80.96525	2.3
81.03457	5.1
83.01387	3.4
85.02943	1.0
86.15824	0.3
89.02436	0.7
93.03429	0.4
95.01371	0.6
95.05013	1.1
101.02430	0.6
107.01411	0.6
108.02208	0.5
108.70748	0.3
109.02980	0.4
109.04009	0.3
111.00900	0.4
113.02444	0.5
119.05019	0.6
120.99667	1.8
121.02951	0.4
123.04527	33.0
124.04833	1.1
125.02448	6.7
127.05135	0.6
132.04474	0.6
136.99147	1.5
139.04031	0.7
147.04524	1.5
148.04912	0.5
149.02409	1.3
149.05081	0.3
151.00359	1.4
153.06671	0.8
163.04044	1.1
164.98625	3.4
166.02721	0.5
167.03490	100.0
168.03848	4.5
169.01379	0.5
180.17310	0.3
182.99680	9.5
191.03290	0.6
197.05714	0.7
200.98213	0.4
209.04475	1.0
253.12149	0.4
279.26129	0.4
318.35553	0.4
329.03149	0.4
329.08319	0.6
329.11865	1.1
329.15958	0.7
330.10767	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	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
56.46672	0.6
57.03446	1.7
58.96375	0.5
59.01392	0.6
68.57055	0.6
69.03448	1.7
70.82420	1.5
71.01391	1.2
81.03439	0.7
81.32269	0.6
83.66852	0.7
85.02950	5.0
85.76009	0.5
97.06594	5.4
125.09679	1.7
125.74867	0.6
127.11290	2.1
155.14430	0.8
165.12840	1.1
167.14392	1.9
171.10287	15.2
177.12810	1.2
183.13924	5.2
185.11818	1.5
193.12424	1.3
197.11842	1.1
203.10861	0.9
209.11784	1.9
211.13388	26.1
212.13773	1.6
221.11887	3.9
229.14435	14.1
239.12952	2.3
291.19717	3.3
309.20728	1.0
327.21765	100.0
328.22095	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2176
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
50.62981	0.4
54.25819	0.4
57.03438	1.3
57.47379	0.5
58.00596	0.5
59.01369	0.9
69.03463	0.8
69.18982	1.3
69.19392	3.1
71.01395	1.1
71.04977	0.4
71.98685	0.4
81.03491	0.5
83.05000	1.0
85.02956	4.7
95.05011	1.4
97.02959	0.6
97.06588	6.0
98.19935	0.8
101.38259	0.4
110.03701	0.6
123.08148	0.5
125.09693	1.7
127.11268	2.1
137.09680	0.5
144.69156	0.4
155.10818	1.0
155.14418	0.9
155.21918	0.5
163.11249	0.6
165.12804	1.4
167.14386	1.2
171.10265	9.4
172.10555	0.6
177.12808	1.8
181.12303	0.7
183.02988	1.0
183.13878	5.9
184.14311	0.7
185.11809	1.8
193.12334	1.7
195.13861	0.5
197.11835	1.2
203.10770	0.7
209.11900	2.4
211.13377	28.7
212.13741	1.9
221.11816	5.1
229.14421	16.4
230.14809	1.4
233.12102	0.5
239.12976	2.5
291.19583	4.3
309.20700	1.8
327.21744	100.0
328.22086	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
51.19228	0.6
58.00596	1.7
59.01385	4.4
60.05671	0.5
68.54639	0.5
69.03462	0.6
71.01378	0.8
71.50945	0.9
74.35846	0.5
89.60102	0.5
97.06585	1.6
101.20647	0.5
109.06593	0.9
111.08168	7.9
115.19441	0.5
127.07645	1.8
153.09348	0.7
153.12822	1.3
169.12346	6.3
171.10243	1.4
181.12410	2.7
183.13858	0.8
185.11832	0.7
193.12323	1.1
197.11829	47.8
198.12207	2.5
199.13376	7.7
200.13826	0.6
211.13411	6.8
221.11681	0.6
227.12889	0.9
229.14401	1.2
239.12930	1.2
239.16547	2.5
263.20236	0.7
291.19678	3.7
293.65836	0.7
309.20776	3.6
327.21762	100.0
328.22067	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23626	0.4
50.38455	0.4
54.10662	0.4
58.00604	2.2
59.01387	6.5
61.98825	0.6
68.29693	0.5
68.75417	0.5
69.03458	0.6
70.83031	1.0
70.83372	0.7
71.01363	1.1
83.05013	1.0
96.37595	0.4
97.06586	2.4
99.08218	0.4
99.68602	0.4
109.06599	0.9
111.07413	0.5
111.08171	9.0
112.03376	0.6
112.04153	0.5
127.07675	1.2
137.09724	1.6
151.11288	0.5
151.23885	0.4
153.12862	0.9
169.12354	6.2
171.10246	4.5
181.12379	2.5
183.13818	0.8
185.11928	0.5
193.12303	0.9
197.11836	43.8
198.12148	2.6
199.13390	7.0
200.13756	0.6
201.11354	0.7
209.11778	0.6
211.13412	6.7
212.13866	0.6
221.11803	0.6
227.12975	0.9
229.14499	1.1
239.16512	1.3
265.18188	0.7
291.19727	2.9
309.20615	2.8
327.21768	100.0
328.22119	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	327.1084
Annotation	Paeonoside
Peak:m/z	Relative Intensity
55.01874	1.3
57.03455	1.5
58.00587	1.7
59.01379	42.5
69.94537	1.8
69.94937	2.2
71.01382	20.3
72.57368	1.0
72.99311	3.2
83.01387	1.8
85.02959	7.4
87.00854	1.4
89.02448	17.8
95.01392	2.8
98.19990	1.6
98.93160	0.7
101.02446	12.2
103.05545	5.4
107.01324	0.8
110.63091	0.7
113.02454	9.0
119.03524	8.9
119.05042	7.0
121.06607	1.8
123.00864	3.2
124.01637	0.9
125.02438	7.6
136.98764	1.3
139.00391	1.9
140.01180	2.4
143.03430	1.0
147.04518	100.0
148.04861	4.5
151.00388	1.4
158.68399	0.9
165.05577	19.3
168.00592	3.0
169.01422	16.9
177.02074	0.9
183.02953	2.5
327.07269	4.9
327.10837	67.8
328.11118	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2172
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01387	1.0
70.45416	1.4
79.95738	1.3
90.13784	0.5
97.70126	0.4
98.19962	0.6
105.78410	0.5
119.05003	1.3
122.00074	0.5
149.09717	90.9
150.10048	4.7
163.11282	100.0
164.11601	6.9
170.00354	0.5
175.80647	0.5
183.01202	49.2
184.01892	5.6
197.02779	2.7
198.03473	0.5
216.00977	3.2
225.06010	0.8
239.07399	1.1
322.38925	0.6
325.18268	94.5
325.21667	95.1
326.18607	10.5
326.22003	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	327.0724
Annotation	Bergenin
Peak:m/z	Relative Intensity
57.03423	0.8
59.01374	1.8
67.01903	0.5
69.03430	0.5
71.01382	1.4
77.03995	0.5
78.88651	0.4
79.01886	0.5
83.01383	0.7
85.02935	3.5
87.00874	0.8
89.02424	0.5
93.03459	1.4
95.01402	0.5
97.02965	0.8
101.02420	0.5
103.82285	0.4
108.02193	0.7
109.02961	1.9
111.00875	0.5
114.24889	0.4
119.05016	2.2
119.86547	0.5
120.05386	0.4
121.02958	12.0
121.06594	0.4
122.03239	0.6
123.00889	0.7
123.04515	0.8
125.02449	1.5
129.01910	0.9
129.03474	0.7
133.06667	0.3
135.04498	0.6
137.02446	13.9
138.02789	0.6
139.00372	0.4
147.04514	5.3
149.02434	1.7
151.04008	1.1
161.02429	0.7
163.00410	1.0
163.03917	1.1
164.01141	4.6
164.04376	0.4
165.01926	100.0
165.05580	11.9
166.02271	4.2
166.05977	0.8
169.01459	1.7
175.02481	0.8
176.01128	0.4
177.01883	2.0
179.03488	2.0
187.07054	0.4
189.01909	0.9
199.04329	0.5
205.01295	0.5
207.02953	3.0
217.22997	0.4
222.01706	1.1
269.84885	0.4
289.07288	0.6
302.44537	0.4
327.07211	43.7
328.07639	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	325.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75128	13.2
59.01372	61.5
66.42749	13.4
69.03461	20.2
71.01391	14.1
71.50214	18.8
81.03455	19.4
83.05027	25.6
95.05000	16.4
97.02926	18.8
97.06604	32.0
97.21948	13.2
101.02448	14.8
123.08150	22.3
125.09708	53.9
129.51323	16.3
137.09731	22.0
140.99287	15.1
163.11269	32.1
167.10753	33.6
178.06607	13.8
181.12436	13.9
183.01186	31.7
185.11827	25.2
207.10205	21.2
209.11786	68.8
219.56386	18.2
227.12659	16.6
297.07898	20.2
325.07117	100.0
325.18579	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
57.03435	10.9
59.01382	15.8
63.59510	2.8
65.02143	3.0
67.01875	3.0
69.03455	4.9
71.01377	4.4
71.05019	10.2
71.51266	5.2
73.03431	3.0
79.05540	3.1
79.30206	2.8
80.02688	3.1
81.03458	4.0
83.01385	4.0
83.05011	12.4
84.02162	4.8
85.02939	4.2
87.04517	3.4
95.05013	13.1
97.02955	7.0
97.06580	18.1
106.04203	3.9
109.06582	11.9
110.39933	3.1
113.06116	3.8
115.07637	8.5
117.07087	2.9
121.06615	5.0
123.04541	6.6
123.08153	10.1
125.09738	10.4
130.08745	70.5
131.09070	34.8
135.08128	8.6
149.09773	3.8
151.11218	3.5
153.09184	6.8
155.20514	2.8
161.09714	4.0
163.11267	6.3
165.12865	5.9
169.12294	4.7
171.10274	46.5
185.11891	7.9
191.14323	4.7
193.12306	10.5
197.11823	13.3
205.15904	7.4
207.10335	4.5
209.11813	43.3
211.13399	24.4
225.11256	4.0
227.12860	7.4
235.13385	5.8
236.40854	3.3
237.14958	8.7
245.19072	11.3
249.14993	22.9
267.15948	6.5
283.47202	3.1
289.18008	20.2
307.19196	25.6
308.19458	6.3
325.19867	100.0
326.20392	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	325.2019
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
58.00584	8.9
59.01387	22.5
69.03460	4.4
71.01372	12.6
81.03481	3.7
82.65527	3.2
83.05022	3.9
90.44018	2.9
95.04998	4.9
97.06558	4.2
98.62452	3.1
99.00805	3.2
106.04248	3.2
109.06569	5.8
111.08162	61.0
112.08553	3.3
123.08171	16.9
125.09706	10.5
127.11281	13.7
135.08145	12.4
137.09680	6.4
151.11229	5.5
153.09242	9.9
153.12872	5.0
155.10751	10.8
159.59698	3.7
165.09196	4.7
167.10735	10.6
169.12294	7.6
171.08865	3.3
171.10280	60.9
181.12303	4.5
183.01276	5.6
183.10223	13.7
185.11824	55.0
195.10272	8.8
197.11841	36.3
199.13358	24.4
201.11308	84.3
202.11617	8.6
209.11821	11.7
213.11267	23.4
215.12939	9.2
225.11232	3.9
227.12880	100.0
228.13182	10.9
229.14447	10.4
245.19214	8.7
289.17993	17.9
307.19180	16.3
325.01581	3.7
325.14645	7.5
325.20233	81.2
326.20593	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91876	1.9
57.03441	6.2
59.01379	18.2
69.03451	4.4
71.01368	3.2
71.05020	9.6
71.51224	3.1
80.02689	3.0
83.05004	2.1
84.02198	2.1
85.02947	2.1
91.05521	3.0
95.05041	4.0
96.95994	2.0
97.02955	6.9
97.06608	5.5
107.04999	3.2
109.06583	28.7
123.08147	2.9
125.06036	2.9
130.08714	2.5
167.10760	3.1
169.12329	6.6
181.12344	6.6
183.13948	2.7
193.12352	4.3
197.11829	48.1
199.13458	4.7
209.11890	2.5
211.10004	2.3
211.13406	32.3
212.13751	2.8
227.12946	3.1
235.13420	4.3
237.14989	15.6
249.14861	4.5
274.71930	1.9
289.17953	10.4
307.19232	5.5
325.20200	100.0
326.20541	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	325.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75620	0.3
69.99582	1.2
79.95700	1.4
93.38333	0.3
98.20619	0.4
99.95509	0.3
119.05058	1.3
170.00459	1.6
183.01222	49.7
184.01927	4.8
197.02762	1.9
198.03531	0.5
216.01064	1.4
225.05960	0.7
230.02454	0.5
239.07507	0.8
273.51590	0.3
295.46744	0.3
325.18420	100.0
326.18759	12.0
326.22739	0.4
340.23123	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
57.03447	10.8
59.01374	14.1
65.96026	2.1
66.03532	2.0
69.03458	3.1
71.01373	4.8
71.05009	14.6
73.02926	5.0
80.02679	6.6
83.05018	9.3
84.02171	3.2
85.02924	3.3
85.06583	6.5
87.04517	6.5
90.50085	2.1
95.05051	3.8
97.02955	10.9
97.06576	8.3
98.20651	6.1
100.64091	2.4
109.05903	3.6
109.06590	47.1
109.54421	2.0
120.22984	1.9
123.63753	1.8
125.06100	4.3
127.07655	2.7
151.11305	3.0
154.41441	2.0
169.12360	15.4
171.09808	2.2
181.12314	7.1
183.13904	3.6
193.12256	3.7
197.11823	85.9
198.12192	4.1
199.13416	6.3
209.11819	2.6
211.13388	49.8
212.13774	3.7
219.13908	4.1
221.56299	2.2
227.13043	2.5
235.13350	6.8
237.14996	8.3
247.16640	2.6
249.14967	2.8
268.33725	2.1
289.18173	7.3
307.19098	3.8
325.20200	100.0
326.20502	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	325.2021
Annotation	2,3-Dinor-8-iso prostaglandin F2alpha
Peak:m/z	Relative Intensity
54.74205	1.0
56.24133	1.0
59.01362	4.2
69.03465	1.2
70.83105	1.1
70.83455	2.6
71.01373	4.0
73.02961	1.2
80.02647	1.4
81.03453	1.5
83.05038	7.4
84.02183	1.8
85.02987	1.5
93.03450	1.0
95.05022	1.9
97.06595	1.7
98.48858	1.2
99.08152	3.0
109.06583	1.6
110.84956	1.0
115.07630	1.7
125.09727	2.5
127.07652	12.3
135.08174	1.4
137.09729	1.4
139.07635	3.8
155.10767	2.6
156.75972	1.1
163.11269	5.5
165.12788	3.5
178.09984	2.1
183.02994	3.5
185.11829	15.4
191.10699	1.6
197.11835	14.5
198.12193	1.4
209.11836	100.0
210.12209	8.1
227.12871	4.1
237.11478	1.2
238.12163	7.0
256.13144	2.3
275.05893	1.2
289.18002	5.9
307.19171	67.4
308.19498	7.4
325.16568	1.7
325.20215	25.1
326.20511	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	325.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
57.22609	0.8
59.01379	100.0
60.01715	1.5
61.98827	1.1
69.03472	1.6
69.97711	4.3
71.00718	0.7
71.01383	7.0
72.99321	0.9
73.02939	3.3
81.03436	1.0
83.01420	1.1
83.05041	1.5
84.04777	0.7
85.02948	10.2
89.02470	2.2
93.03457	10.6
95.01400	1.4
98.20010	1.2
98.80743	0.9
99.00889	1.0
101.02459	4.6
107.01382	6.3
111.00897	1.6
111.04508	5.3
113.02474	2.5
119.05038	4.2
121.02963	1.8
121.39974	0.9
123.00903	1.7
124.01643	2.3
125.02448	40.1
126.02837	1.6
137.02437	4.4
139.00352	1.1
140.01152	1.5
140.90369	0.7
145.02965	1.5
146.11285	0.8
147.04477	1.0
155.03531	1.8
161.04594	5.7
163.04042	2.7
168.00606	5.5
169.01418	46.1
170.01787	2.3
173.04526	2.3
176.39001	0.8
186.14490	0.8
201.05542	1.1
265.12900	9.4
266.13385	1.1
281.06680	3.8
290.83722	0.8
307.04306	0.9
325.05655	30.0
325.09579	2.0
325.13864	1.8
326.06012	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	325.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41201	0.3
79.95692	1.8
98.20600	0.7
104.96581	0.3
119.05029	1.2
170.00424	1.1
177.63226	0.3
182.30234	0.3
183.01208	50.1
184.01840	4.2
197.02773	2.6
198.03584	0.5
216.00957	1.0
225.05931	0.3
230.02563	0.3
231.46815	0.3
239.07510	0.7
261.22079	0.4
325.18414	100.0
326.18729	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	325.0929
Annotation	MEGxp0_000552
Peak:m/z	Relative Intensity
58.00563	0.6
59.01376	7.1
69.93669	2.7
71.01369	3.4
73.02943	0.8
79.86525	0.6
85.02962	1.0
89.02442	2.8
93.03481	0.8
95.01406	0.6
96.60937	0.5
99.00930	0.7
101.02430	0.7
113.02424	1.3
117.03459	22.1
118.03795	0.8
119.05024	38.8
120.05325	1.2
120.25740	0.6
123.90650	0.6
125.02450	2.8
127.44926	0.5
133.06561	0.9
140.15897	0.5
145.02948	100.0
146.03284	5.2
159.59372	0.6
161.06120	1.3
163.04004	35.8
164.04333	2.0
169.01414	2.8
171.47870	0.6
172.69655	0.6
180.96411	0.6
187.03973	3.4
188.44681	0.6
193.05099	0.6
205.01424	0.7
205.05093	1.6
207.03026	0.6
219.02969	1.2
221.04532	1.1
263.71429	0.6
265.07175	1.8
281.03024	0.5
307.00702	0.6
325.05878	0.9
325.09283	7.1
326.09378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
54.64992	0.2
56.96984	0.2
59.01384	1.1
65.00333	0.3
71.01384	3.0
71.51537	0.4
73.02946	1.0
75.00883	0.6
80.96526	0.4
81.22737	0.2
85.02940	1.3
89.02454	0.3
91.05544	1.2
93.03468	0.3
95.01413	0.3
97.02971	0.7
99.00896	0.5
101.02464	1.6
101.03972	5.4
104.03548	0.8
113.02483	1.9
117.03484	2.7
119.05037	100.0
119.39075	0.2
120.05362	4.1
120.99684	0.7
121.02984	0.5
121.06567	0.3
124.01685	0.3
126.03819	0.5
133.02960	0.8
133.06602	0.5
135.04539	0.3
139.04005	0.3
145.02954	0.3
149.02519	0.4
149.04330	1.5
158.19847	0.2
159.03050	0.6
159.04372	0.4
161.02466	0.3
161.04623	1.4
163.04013	5.0
163.06288	0.3
164.04332	0.3
177.01910	2.0
177.05577	0.6
179.05611	0.8
189.05560	0.5
193.03363	1.0
205.01425	2.6
205.08789	0.3
221.00847	0.4
221.04532	0.5
221.08141	0.5
233.04572	0.3
237.02255	0.4
249.00400	3.4
249.07877	0.4
264.08813	0.3
325.09357	3.3
325.12991	0.3
326.09106	0.6
340.31601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2178
Annotation	Dapiprazole
Peak:m/z	Relative Intensity
56.94856	0.4
57.03438	0.6
58.02984	0.5
59.01384	2.4
69.03454	0.4
69.67490	0.4
69.67918	0.4
71.01385	0.7
71.05016	1.1
72.02235	0.4
83.04993	0.6
92.01534	0.4
95.05006	0.7
96.95985	0.4
97.06569	0.8
109.06607	0.9
122.13107	0.4
125.09708	0.9
127.07681	0.6
128.10817	1.9
130.08734	100.0
131.09091	3.8
135.08173	0.7
153.09204	0.6
165.12825	0.8
171.10277	2.3
175.90715	0.4
185.11816	1.4
193.12340	0.7
197.11787	1.4
207.10312	0.5
209.11818	4.3
211.13388	1.0
214.96507	0.6
237.15091	0.6
249.15001	1.2
262.21848	0.6
267.15826	0.4
289.18137	1.3
307.19061	3.8
324.21771	37.3
325.19571	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	325.0565
Annotation	Sinapoyltartronate
Peak:m/z	Relative Intensity
52.03590	0.7
55.01874	1.2
57.03445	1.7
59.01374	5.1
65.03967	1.2
69.03464	1.0
71.01370	3.5
72.99291	1.3
73.02946	6.7
73.23231	0.7
77.42010	0.7
79.17020	0.9
81.03458	2.5
83.01385	1.2
83.05036	6.7
85.02950	8.8
87.51548	0.8
87.93468	0.7
93.02867	1.5
93.03460	28.3
95.01385	1.8
97.02943	1.5
99.00874	2.9
99.04503	1.8
99.59372	0.7
101.02435	1.4
102.83486	0.8
107.01378	9.2
109.02955	0.8
111.00859	2.4
111.04521	13.4
112.04852	1.0
119.05016	4.3
119.80204	0.8
121.02937	2.8
123.00899	6.0
124.01684	4.4
125.02454	74.0
126.02737	1.8
129.01973	1.5
136.98839	1.4
137.02422	9.4
139.00372	2.8
140.01161	3.2
145.02939	1.1
151.00342	1.9
155.03517	4.2
161.04533	0.9
163.04048	3.9
168.00635	12.4
169.01424	96.7
170.01762	4.7
173.04541	5.0
201.05641	0.9
216.75330	0.9
219.78766	0.7
265.12817	0.8
281.06693	2.9
300.99792	1.0
325.05630	100.0
325.13889	2.6
326.05981	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	325.093
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
58.25239	0.4
59.01385	0.6
69.55659	2.2
79.37744	0.4
80.40768	0.5
85.82026	0.5
93.03466	0.7
117.03513	1.3
119.05037	100.0
120.05361	4.1
145.02974	4.5
163.04022	77.5
164.04382	4.5
165.07762	0.4
205.04927	0.6
289.07050	0.5
325.09277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
57.00053	0.3
59.01379	1.8
63.06992	0.3
69.07132	0.3
69.18435	0.3
69.82552	0.6
69.82966	1.1
71.01392	0.7
86.60186	0.3
89.02399	0.3
93.03456	0.8
101.02486	0.4
117.03463	0.6
119.05023	100.0
120.05350	4.6
125.02457	1.1
145.02983	0.6
152.79141	0.3
163.04004	60.5
164.04326	3.5
169.01433	1.6
199.59853	0.3
289.07242	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
56.48175	0.7
57.03437	1.6
58.00585	1.9
59.01378	100.0
60.01727	1.2
69.45382	3.3
69.45812	3.0
71.01381	48.2
71.13276	0.7
72.67458	0.7
72.99308	4.2
73.02943	1.8
78.66089	0.8
83.01389	2.7
85.02952	9.9
87.00881	2.0
89.02443	55.3
92.47868	0.8
95.01397	4.4
98.20631	1.5
99.00870	1.2
101.02440	33.9
102.02762	0.8
113.02445	18.7
119.03506	28.1
125.02441	1.3
131.03497	1.5
139.54211	0.8
143.03506	2.6
143.07147	0.8
149.04536	1.5
161.04572	2.7
161.08186	0.9
179.05595	2.6
179.31779	0.9
180.55316	0.9
204.91866	0.9
323.13461	95.8
324.13800	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	323.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
57.03430	1.5
58.00585	3.7
59.01379	100.0
69.38107	6.9
71.01381	51.8
72.99307	3.3
73.02928	1.2
74.62369	0.9
83.01395	3.4
83.25336	0.8
85.02951	10.7
85.44980	0.8
87.00857	2.8
89.02443	56.9
90.02776	1.2
95.01392	3.4
98.20663	1.6
99.08177	1.0
101.02446	32.3
113.02457	21.4
118.43066	1.1
119.03500	29.0
131.03481	2.2
143.03468	2.9
149.04500	1.8
161.04623	1.5
179.05573	2.5
323.13449	95.6
324.13766	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	322.1812
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
59.01377	6.1
64.68404	0.9
70.65777	2.2
71.01400	1.1
79.05526	0.9
82.80731	0.9
91.05537	3.3
92.05048	5.4
104.91566	0.7
116.05075	2.0
118.06634	3.4
125.02438	0.8
128.41541	0.7
130.06659	2.1
135.04482	1.7
144.08151	4.6
146.09756	1.6
147.04532	15.4
148.04825	0.9
156.08185	2.0
158.09763	27.2
159.10091	1.2
162.09227	1.1
162.12912	1.5
172.11320	6.0
173.11667	1.0
174.12880	100.0
174.39557	0.9
175.13243	6.2
183.02972	0.8
200.57498	0.9
206.97282	0.8
252.17450	1.3
278.19116	14.3
279.19598	2.1
289.61850	0.8
319.63556	0.8
322.18051	13.7
328.91641	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2023
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.04467	0.2
58.02975	2.2
71.27277	0.5
71.74131	0.2
81.03468	0.4
95.05037	0.8
97.06571	0.5
98.20581	0.3
109.06618	0.8
121.90108	0.3
128.10820	6.0
130.08739	100.0
131.09087	3.7
165.12846	0.9
190.45535	0.3
322.20215	30.6
323.17194	0.4
323.20602	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	323.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06950	0.8
59.01384	100.0
59.55548	0.8
60.01719	1.6
64.59539	0.8
69.32401	6.9
71.01406	5.6
73.02962	1.4
83.01404	1.1
84.59728	0.9
85.02962	2.4
89.02450	1.4
93.03465	30.3
94.03791	1.1
97.02951	1.0
101.02456	2.6
106.93797	0.9
113.02463	4.0
114.98751	0.9
121.02987	1.2
122.97874	1.0
125.02371	1.1
137.02457	42.5
138.02841	2.0
153.21172	0.9
161.02510	1.0
183.03072	2.2
183.43973	1.0
281.06570	3.3
312.12750	1.2
323.15268	1.4
323.18658	3.6
323.22238	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	321.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85175	0.7
59.01385	100.0
59.58136	0.8
64.76620	0.8
71.01377	3.6
84.73658	0.9
86.93941	0.8
89.02442	3.3
98.20690	1.3
101.02438	1.6
119.03541	1.8
125.02425	1.3
143.03383	0.9
169.01396	3.7
179.05589	1.0
260.81436	0.9
278.17166	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64061	0.9
51.16753	0.7
59.01381	100.0
60.01708	1.0
71.01394	2.2
86.42675	0.8
89.02454	4.7
89.08752	0.9
96.95908	0.7
97.63947	1.0
101.02402	1.6
113.02452	1.2
119.03535	1.1
125.02465	2.1
169.01395	3.0
183.02898	1.4
277.03262	1.2
303.01544	1.5
321.02405	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	322.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
57.03442	1.5
58.00586	1.5
58.02974	21.1
59.01380	43.9
63.75022	0.4
64.68005	0.4
69.55566	1.6
69.55970	0.7
71.01382	30.6
71.05018	1.1
72.01730	0.7
72.99310	2.4
73.02940	2.6
78.95911	2.4
83.01399	2.6
85.02952	7.6
86.06121	0.6
87.00880	3.1
87.01353	0.5
89.02443	18.3
93.03496	0.4
95.01406	2.2
95.50683	0.5
96.96963	1.7
97.02946	0.8
98.05486	0.6
98.06120	10.6
99.00882	1.3
100.04045	11.3
101.02441	15.4
101.04354	0.4
102.05581	0.8
104.59547	0.3
112.04072	1.0
113.01714	0.8
113.02451	10.0
114.05611	5.5
116.07158	2.1
118.05127	3.3
119.03496	7.6
124.03970	0.5
125.02411	0.9
131.03484	0.7
140.03540	0.8
142.05098	26.3
143.03543	1.0
143.05449	1.4
144.06613	0.7
154.47122	0.4
156.06604	0.5
160.06152	39.2
161.04544	1.4
161.06487	1.4
166.73921	0.4
169.01418	0.3
175.88348	0.4
179.05750	0.6
202.07228	1.8
211.00052	0.5
213.00281	0.4
214.07225	0.9
235.29221	0.4
262.09305	1.6
266.78448	0.4
280.10242	0.4
303.20651	0.4
322.11417	100.0
323.02945	0.5
323.13242	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	319.2643
Annotation	Adipostatin B
Peak:m/z	Relative Intensity
55.19149	0.3
59.01376	0.7
61.80098	0.3
69.81944	0.3
71.01355	0.4
90.78116	0.3
95.33746	0.4
98.20694	0.7
101.02531	0.3
106.04259	0.4
107.05004	0.5
113.02417	0.4
113.09726	1.7
119.05030	0.9
121.02963	3.5
133.06538	0.4
159.21815	0.3
192.77643	0.3
205.16002	5.2
210.63214	0.3
233.15457	5.8
234.15738	0.4
251.07416	0.3
301.25314	2.6
302.25635	0.6
317.24841	26.7
318.25223	3.4
319.03152	0.8
319.26419	100.0
320.26785	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	319.2641
Annotation	Adipostatin B
Peak:m/z	Relative Intensity
53.31059	0.1
69.70651	0.1
106.00651	0.1
108.02154	0.6
115.44028	0.1
121.02973	0.5
122.03737	36.1
123.00893	0.4
123.03987	1.1
124.01665	1.3
127.68232	0.1
135.03523	0.1
135.04521	1.7
135.05502	0.1
136.01665	4.3
137.02356	0.1
149.06123	0.2
160.15468	0.1
177.09291	0.1
179.23448	0.1
191.10796	0.1
219.13925	0.1
233.15614	0.1
234.01840	0.1
306.03406	0.1
319.26398	100.0
320.26746	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	320.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.6
69.98672	0.3
71.05051	0.4
71.51006	0.6
85.02946	0.9
105.05875	0.4
119.07424	0.8
124.38945	0.5
130.08766	0.5
132.08197	0.7
134.09761	41.1
135.10081	2.1
161.08479	0.8
169.01314	0.6
175.10011	2.1
176.16093	0.4
190.12370	100.0
191.12706	6.7
214.16113	0.6
232.16983	2.4
258.14944	1.0
276.16046	19.7
277.16382	1.7
302.13934	3.0
320.15024	13.0
320.18921	0.7
321.15317	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	321.0251
Annotation	Digallate
Peak:m/z	Relative Intensity
58.66729	0.4
59.01386	0.5
69.03471	1.4
79.01888	0.8
81.03452	0.7
97.02960	1.8
98.19707	0.4
101.30070	0.4
104.76537	0.4
107.01356	0.6
125.02446	59.7
126.02806	2.0
144.67659	0.4
169.01421	100.0
170.01778	4.0
175.33438	0.4
193.71442	0.4
229.94293	0.5
261.36636	0.4
296.12537	0.5
321.02493	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09078	0.4
55.73717	0.3
59.01054	0.3
59.01367	1.3
61.95156	0.3
65.00311	0.3
69.27874	3.0
71.01389	1.6
78.10782	0.4
83.01416	1.0
85.02942	0.8
87.26527	0.4
95.01382	0.9
101.02435	0.9
108.02168	1.4
109.14316	0.3
111.00871	3.0
113.02460	0.6
123.00877	1.3
124.01662	3.2
127.00397	0.4
136.98814	0.7
138.74310	0.4
139.00372	1.6
139.04030	0.6
140.01141	1.0
152.01138	8.7
153.05699	0.4
167.03494	100.0
168.00659	2.6
168.03825	4.1
183.02977	37.0
184.03340	1.8
239.05733	0.5
266.51645	0.4
275.01852	0.6
275.84067	0.3
319.01138	0.6
319.04630	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	319.0803
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
54.36346	15.6
56.67345	19.5
59.01371	34.0
62.92165	18.6
69.55101	46.1
69.55515	100.0
71.01389	39.1
74.34498	16.7
85.02951	28.7
89.02459	27.9
92.92802	21.9
94.52677	20.3
95.01406	26.3
98.20619	41.3
109.78041	19.3
144.53156	21.1
149.71547	23.0
206.35603	19.7
283.10397	92.5
319.07953	99.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1397
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01865	1.2
57.03454	1.1
58.00589	2.8
59.01381	89.9
66.78889	0.8
69.52529	5.4
69.52931	1.5
71.01382	38.6
72.99294	3.4
73.02937	2.5
83.01388	2.8
85.02948	8.7
89.02448	38.6
95.01373	3.3
101.02444	27.0
113.02448	13.8
118.69824	0.8
119.03505	15.9
139.06630	1.8
139.07652	23.2
143.03522	1.1
149.04579	1.2
157.08699	2.7
178.61862	1.0
179.05553	1.4
204.03940	1.2
319.13968	100.0
320.14307	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	319.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48077	0.8
55.46311	0.8
58.02976	6.9
59.01376	2.0
66.99856	0.8
71.52497	1.2
72.00916	4.9
79.02489	0.9
81.22803	0.8
82.06626	2.6
91.05548	9.1
93.58735	0.9
103.05528	0.9
112.07671	4.4
113.02485	0.9
118.06638	3.8
123.00900	1.4
126.09241	1.5
129.10341	79.2
130.10704	2.1
147.04520	27.3
148.04797	1.4
153.10321	3.5
154.08737	10.8
155.11859	1.3
164.07162	68.2
165.07494	2.4
171.11385	51.7
172.11719	3.8
183.03036	5.9
216.13910	1.5
233.16568	39.2
234.16855	2.5
239.05792	1.2
275.17636	6.4
277.15576	3.1
298.85666	0.9
300.99857	1.4
311.24350	0.9
319.00919	1.5
319.16611	100.0
320.17014	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	315.1085
Annotation	Taxicatin
Peak:m/z	Relative Intensity
54.06903	0.3
69.96718	1.1
69.97127	0.5
93.00897	0.3
95.05033	0.3
105.03448	0.5
109.02955	0.5
113.94458	0.3
122.03722	0.5
123.04521	69.1
123.16346	0.4
124.04850	2.5
125.11115	0.4
127.41638	0.3
135.04581	0.5
141.12329	0.4
153.05573	100.0
154.05904	3.9
169.01389	0.5
243.45805	0.4
315.07404	0.6
315.10867	3.0
316.11011	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19173	0.2
59.01370	0.5
62.65104	0.2
66.25225	0.2
73.04611	0.2
77.29715	0.3
79.95724	1.5
87.03019	0.3
96.96009	100.0
97.95990	0.3
98.19864	0.5
108.02217	0.3
198.37193	0.3
227.03491	0.3
253.68839	0.3
255.03040	0.7
256.03705	1.0
271.06085	1.2
275.84171	0.4
299.99200	0.6
315.12695	90.3
316.13019	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	315.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
64.75173	0.2
71.01373	0.2
71.28492	0.3
71.28843	0.3
74.64856	0.2
79.95732	1.5
92.61565	0.2
95.70475	0.2
96.96009	100.0
102.64292	0.2
108.44079	0.2
109.11076	0.2
139.74770	0.2
157.45738	0.2
179.61948	0.3
224.83940	0.2
230.99289	0.3
255.02736	0.3
256.03741	0.7
271.06061	0.6
299.99084	0.6
300.02426	0.3
315.12695	86.4
316.12988	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	315.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78075	1.0
52.53008	0.7
55.01878	5.6
57.03454	6.8
58.00581	2.0
59.01377	51.8
60.01719	0.8
69.17221	2.0
69.17629	6.0
71.01381	100.0
72.01711	1.0
72.99298	3.8
73.02944	30.8
75.00869	2.0
83.01377	12.9
85.02948	42.2
86.03271	0.8
87.00868	3.7
89.02446	20.1
89.38754	0.8
94.71374	0.8
95.01405	7.2
96.96028	1.5
97.02953	2.4
98.20660	1.6
99.00880	12.3
101.02441	60.8
102.02754	1.2
108.02179	0.9
113.02449	42.5
119.03511	5.9
123.04560	1.3
125.02464	1.9
129.01909	1.6
135.08588	0.9
135.21805	0.7
139.00287	1.0
143.03526	2.0
150.24416	0.9
153.01935	0.9
153.05556	1.2
159.02995	9.3
161.04547	29.0
162.04993	0.9
165.01903	1.8
205.03688	1.0
215.65042	0.7
271.94659	0.8
286.98267	1.3
299.99146	5.0
314.97821	3.1
315.01315	2.7
315.04718	1.4
315.12643	2.1
315.18073	5.8
319.03528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1962
Annotation	(+)-Phomactin C
Peak:m/z	Relative Intensity
66.64150	0.5
70.09685	2.0
81.61541	0.6
101.55150	0.6
108.02170	4.7
111.63555	0.5
117.83580	0.6
121.02941	1.4
122.03737	31.9
122.74889	0.6
123.02312	0.5
123.04520	1.6
124.01637	2.2
135.04521	18.9
136.01668	8.9
136.04865	0.7
149.06062	4.3
153.01895	0.8
164.39507	0.7
177.09184	2.2
191.10776	1.5
192.91035	0.7
197.82117	0.6
201.52063	0.7
248.53915	0.6
249.03084	0.6
259.17035	4.1
271.17044	1.9
287.20139	28.6
288.20453	3.5
297.18579	11.5
298.18964	1.0
299.99146	0.8
313.17847	0.6
314.98026	1.6
315.19623	100.0
316.19968	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	315.2329
Annotation	Pregnenolone
Peak:m/z	Relative Intensity
65.47862	0.2
70.93082	0.3
70.93386	0.4
91.68787	0.2
107.84256	0.2
108.02218	0.6
118.45719	0.2
121.02962	0.8
122.03753	29.8
123.00905	0.3
123.04035	0.5
123.04617	0.2
124.01705	1.5
135.03500	0.6
135.04541	11.5
135.18083	0.2
136.01680	5.3
136.05363	0.6
137.02235	0.2
137.68260	0.3
137.95544	0.3
149.06088	2.3
163.07690	0.3
177.00502	0.3
177.09270	1.5
185.07861	0.2
191.10809	1.6
205.12277	0.5
219.13890	0.3
239.92235	0.2
315.23300	100.0
316.23645	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	316.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.3
61.41689	0.2
62.77305	0.2
65.99839	0.5
69.03452	0.3
69.56973	1.3
71.01366	0.5
87.00905	0.3
95.01384	0.4
107.01413	1.4
115.92123	0.3
116.92859	0.6
123.00897	3.1
124.01674	7.5
125.02477	5.0
139.00359	0.4
140.01172	0.5
151.00349	0.5
153.00694	0.8
154.01469	100.0
155.01860	3.3
168.00612	0.4
169.01439	5.8
211.02512	0.6
241.03546	3.7
294.43427	0.2
300.99982	0.5
311.37943	0.3
313.05804	0.3
316.03287	0.9
316.06653	4.8
316.53491	0.3
317.04016	0.5
317.07364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2484
Annotation	(plusmn)-CP 47,497
Peak:m/z	Relative Intensity
52.62077	0.1
55.59496	0.1
69.71680	0.6
108.02174	0.4
121.02960	0.3
122.03739	24.7
123.00900	0.4
123.04027	0.9
124.01653	1.4
135.04520	8.7
136.01660	3.9
136.05156	0.3
137.02258	0.1
149.06067	2.2
158.71176	0.1
163.07591	0.2
177.09195	1.7
178.09627	0.2
180.89099	0.1
188.67085	0.1
191.10782	1.0
205.12335	0.4
219.13922	0.8
224.03564	0.1
315.23212	0.2
317.24823	100.0
318.25174	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	319.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07547	0.6
62.35617	0.5
69.79910	1.6
69.80344	1.5
71.82957	0.5
96.95998	3.8
97.02985	1.3
99.00879	6.8
119.54340	0.6
124.01670	27.3
129.96913	0.5
134.03758	1.1
135.34470	0.4
139.04016	100.0
140.04327	3.4
152.01155	7.7
153.01514	0.6
161.02463	1.3
162.03218	4.4
174.83662	0.5
177.05562	7.6
178.05858	0.7
180.04280	11.8
195.06628	14.5
196.06891	0.7
227.96234	0.5
239.05608	81.3
240.05963	5.1
273.55701	0.5
287.39539	0.5
319.01239	7.3
320.01587	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34916	0.2
59.01383	0.3
64.09616	0.3
65.00341	0.3
67.01913	0.3
71.28410	0.4
83.01384	0.6
87.00885	0.3
97.55956	0.2
110.00098	0.3
111.00880	2.5
123.00906	0.6
124.01664	2.7
127.00335	0.8
136.98788	1.3
139.00391	2.1
139.04039	0.6
140.01164	3.4
151.00356	0.3
152.01158	0.7
159.79915	0.2
167.03497	7.3
168.00638	5.9
178.46979	0.2
183.02983	100.0
184.03339	5.0
239.05399	0.3
319.00949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0721
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.59132	0.5
57.97466	0.5
59.01383	1.4
66.03143	0.5
69.85135	2.5
71.01379	2.3
71.35346	0.5
73.02953	1.0
81.03481	1.0
85.02958	2.0
95.01375	1.3
98.19862	0.7
101.02442	0.9
105.02052	0.6
108.02176	100.0
109.02982	34.8
110.03299	1.3
113.02509	0.7
117.41992	0.6
119.04859	0.6
120.62868	0.5
121.02926	0.8
123.00895	1.7
123.04503	3.8
124.49171	0.5
125.02444	0.7
133.02913	0.8
135.00851	0.9
147.47351	0.5
151.04033	1.7
152.01163	66.5
153.01953	27.8
153.05519	3.2
154.02321	0.9
163.04019	1.4
165.01898	1.8
169.01486	1.0
209.73973	0.6
315.07214	71.5
316.07571	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	315.0723
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
54.76225	0.5
69.81255	2.6
71.01394	2.3
81.03463	0.7
85.02961	1.6
95.01398	1.3
98.20578	0.7
101.02438	1.0
108.02180	100.0
109.02983	26.6
110.03281	0.9
110.89873	0.5
113.02480	1.1
121.02950	0.7
123.00861	0.7
123.04516	1.0
133.03001	0.8
145.30284	0.5
151.04028	1.9
152.01160	66.7
153.01949	26.3
154.02267	0.7
163.03941	1.7
165.01892	0.8
184.62926	0.6
251.30327	0.5
315.07227	77.1
316.07623	4.3
331.23093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0511
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
60.28615	0.5
63.02398	1.3
65.00321	19.9
83.01387	1.0
85.46191	0.5
87.43650	0.4
89.00339	5.1
91.01898	4.8
93.03456	9.2
97.02955	15.7
98.20753	0.9
107.01400	2.5
108.02222	0.8
109.02956	3.1
121.02961	46.3
122.03298	2.4
124.01670	1.7
139.03999	2.5
147.00908	1.1
148.01672	1.3
149.02428	4.1
149.99588	6.3
151.00383	4.7
161.02409	1.1
163.00375	1.8
164.01163	0.9
165.01930	94.4
166.02240	3.7
179.03592	0.6
181.34137	0.5
192.00616	1.6
193.01419	8.9
200.04759	0.7
202.02699	0.5
207.03029	2.0
211.04068	0.6
215.03506	0.6
216.04390	0.8
227.03458	2.4
228.04259	2.3
239.03517	0.6
243.03017	1.5
244.03770	1.7
254.02383	0.8
255.03014	2.1
256.03702	1.6
259.06067	1.5
270.01709	0.7
271.02499	0.9
272.03354	2.7
272.17203	0.5
283.02307	1.0
287.05609	4.0
299.99017	1.7
300.02682	14.6
301.02994	1.5
315.05090	100.0
316.05472	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	313.2383
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.24900	0.4
58.00595	3.0
59.01369	0.8
70.97385	0.5
70.97727	1.0
97.06569	1.5
99.08156	21.3
100.08469	0.7
101.09711	0.6
105.11074	0.4
111.08155	0.7
121.02977	0.6
127.07650	3.5
129.09215	22.3
130.09586	0.7
183.13895	44.6
184.14282	2.5
195.13931	4.1
213.15012	0.6
277.21646	3.2
278.66086	0.5
295.22809	9.9
313.23840	100.0
314.24155	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	315.0148
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
50.74443	0.3
70.05761	0.9
73.22057	0.2
85.97649	0.2
102.29013	0.3
107.01412	0.3
108.02167	0.5
124.01656	0.5
125.02439	0.7
132.02162	0.8
136.98824	0.4
140.01120	0.3
148.01599	0.4
155.10866	0.3
160.01602	1.3
168.00586	0.8
169.01378	0.4
172.01619	1.0
176.01152	0.4
187.00446	0.3
188.01100	1.0
200.01204	2.4
201.01529	0.3
216.00627	3.8
226.99738	0.5
228.00645	0.8
230.99294	0.4
242.99335	2.3
244.00102	3.1
270.98810	1.1
271.99570	0.8
282.98804	0.5
286.98270	0.6
297.09879	2.0
298.98291	1.1
299.99109	100.0
300.99445	7.4
301.02954	0.4
315.01465	45.6
316.01810	3.7
318.73669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0928
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
51.16713	0.5
52.31030	0.5
55.01868	1.2
57.03468	0.8
59.01382	3.5
68.06947	0.5
71.01384	18.7
73.02937	4.9
75.00883	0.8
78.95912	1.0
83.01397	2.6
85.02954	6.9
87.00867	1.1
89.02449	1.8
93.03462	1.2
95.01385	1.4
97.02940	0.6
99.00892	2.6
99.04552	0.6
101.02450	9.5
104.47881	0.5
107.01396	1.0
107.05031	100.0
108.05358	3.1
113.02453	7.7
120.20516	0.5
121.02924	0.9
123.00887	1.3
123.04548	0.7
125.02452	4.8
125.06050	0.8
126.45617	0.5
133.63791	0.5
137.02432	0.7
140.01117	0.9
143.03510	1.2
147.04500	0.5
150.06770	0.7
151.00352	2.3
151.04004	7.4
159.02998	1.8
161.04547	8.5
162.25072	0.6
165.01926	0.7
165.09224	0.6
168.00630	0.7
168.70241	0.4
169.01410	7.5
193.08633	0.7
194.72614	0.5
211.99590	0.5
237.07693	1.7
269.04614	0.7
269.10287	2.4
313.02356	1.1
313.05688	7.8
313.09406	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2173
Annotation	Cannabidiol
Peak:m/z	Relative Intensity
80.41565	0.3
86.02447	0.3
108.02187	1.1
121.02951	1.2
122.03745	34.6
123.00897	0.8
123.03986	0.7
123.04633	0.4
124.01659	2.8
135.04529	27.2
136.01663	8.6
136.05087	0.7
148.05305	1.0
149.06073	4.8
163.07628	0.4
177.09218	1.6
191.10785	1.3
196.21483	0.3
205.12354	0.4
209.43341	0.3
219.13893	0.4
246.16238	0.3
258.16135	0.4
269.15442	0.6
283.17050	1.0
297.18744	0.8
311.20151	4.4
312.20493	0.8
313.21729	100.0
314.22058	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	311.2228
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
56.34668	1.0
57.03442	1.7
59.01383	6.6
59.90927	0.9
61.20232	0.9
65.03966	1.8
68.88394	0.9
69.03443	1.2
71.05062	1.2
73.67831	0.9
74.37306	1.0
83.05016	2.7
85.02957	1.2
85.45895	1.0
93.03458	1.0
97.02949	2.2
97.06617	1.2
98.19844	2.1
99.08157	4.2
111.08135	2.5
113.09708	3.1
121.10258	1.0
125.09715	3.8
127.11292	3.1
129.09210	1.6
137.02383	1.2
137.09720	1.3
139.11287	15.1
146.03969	1.1
155.10783	2.7
165.12836	1.6
171.10268	28.2
172.10620	1.7
181.12352	2.7
183.01201	3.3
183.10289	2.3
192.14006	2.7
193.12318	7.7
195.13765	1.1
197.11865	1.3
199.13414	5.4
211.13397	9.8
247.16933	1.1
249.22055	1.4
251.11353	1.3
293.17978	2.0
293.21228	26.0
294.21567	2.3
311.13199	9.7
311.16733	8.1
311.22302	100.0
312.17032	1.8
312.22586	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	313.0719
Annotation	Sylpin
Peak:m/z	Relative Intensity
52.66806	0.2
59.01356	0.2
64.47640	0.2
76.67166	0.2
93.03479	0.3
121.02959	100.0
122.03300	3.9
135.25545	0.2
175.35765	0.2
180.05777	0.9
181.06590	4.7
199.07608	0.4
225.05548	7.1
226.05914	0.5
269.08099	0.5
297.11584	0.2
313.07172	12.7
313.23755	0.5
313.40775	0.2
314.07593	1.4
315.87799	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2229
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03446	2.5
58.76236	0.7
59.01381	4.0
68.04639	0.7
70.56333	0.7
70.76443	0.8
71.49875	1.3
96.11006	0.7
97.06599	0.9
99.08158	3.0
111.08166	1.3
113.09744	4.9
127.11280	0.8
129.09218	9.9
139.11266	1.3
141.09241	1.0
151.11264	1.0
167.10779	1.2
169.12347	4.1
171.10274	6.7
181.12349	6.7
183.01196	1.8
183.13890	2.6
185.11790	0.9
193.12370	2.1
195.13959	1.1
197.11845	13.0
198.12256	0.9
199.13422	6.2
201.11273	1.3
211.13399	25.3
212.13806	1.6
265.21786	1.1
274.54581	0.8
275.20184	2.7
293.21252	19.8
294.21490	2.2
311.16565	3.4
311.22278	100.0
312.22635	8.2
319.56644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.09811	0.7
59.01381	4.5
64.38477	0.6
65.29848	0.7
71.01402	0.9
71.49995	0.9
77.50360	0.7
79.95747	0.6
86.50889	0.6
97.06625	0.9
113.09715	1.6
114.06791	0.8
115.07651	1.9
118.25684	0.6
133.19217	0.6
146.62054	0.9
167.14458	3.9
171.10315	0.8
183.01198	2.9
183.13849	3.0
184.01608	1.4
195.13896	11.4
202.75079	0.7
211.13400	2.3
213.14964	1.9
242.15192	1.1
251.11238	1.0
265.21600	1.3
267.23352	1.0
293.21204	7.5
294.21393	1.1
311.17163	5.4
311.22281	100.0
312.22610	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	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.88634	0.8
54.23820	0.7
57.03438	1.9
58.00588	1.2
59.01372	3.6
69.03452	1.1
70.50435	2.0
70.50770	0.9
83.05016	1.0
99.08144	3.4
111.08193	1.1
113.09719	4.2
115.79232	0.8
129.09241	8.7
139.11296	1.5
151.11263	1.1
155.10872	1.1
167.14462	1.2
169.12360	4.6
171.10268	3.7
181.12361	5.3
183.13837	2.4
193.12338	2.9
197.11803	15.3
199.13426	8.7
211.13390	24.1
212.13669	1.2
275.20135	2.2
293.21246	25.6
294.21500	1.8
311.22269	100.0
312.22665	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	311.1137
Annotation	Hydroxycoriatin
Peak:m/z	Relative Intensity
51.26786	0.7
59.01374	2.4
65.00323	3.5
67.01881	2.4
68.99828	2.9
71.01382	4.1
71.52175	1.0
72.99305	2.8
73.64406	0.7
78.01106	1.2
80.19296	0.8
82.00604	0.9
83.01396	3.6
86.00104	1.0
87.00882	1.7
88.45556	0.7
95.01416	1.6
99.00864	1.3
106.00613	2.4
110.00109	3.9
111.00888	25.3
123.00906	1.5
124.01672	9.1
125.02482	4.0
127.00369	9.9
132.00168	0.7
136.98808	19.0
139.00372	25.2
140.01170	37.8
141.01505	1.2
154.99866	3.5
168.00642	67.4
169.01184	3.9
169.89761	0.8
189.23506	0.8
203.16321	0.8
267.12488	1.7
281.10147	1.1
311.11383	100.0
312.11719	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	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28453	0.8
50.94081	0.8
59.01381	100.0
59.71701	0.9
60.01699	1.5
60.57064	0.9
70.34624	0.8
70.69859	2.5
71.01379	13.1
73.02941	2.7
83.01398	1.2
85.02945	6.6
87.00887	1.6
89.02442	6.8
95.01381	1.1
99.00906	2.3
101.02454	12.6
103.45457	0.8
112.05147	0.9
113.02461	5.3
119.03500	2.1
122.06133	1.5
125.02338	1.1
136.07675	1.0
147.06656	1.1
149.06110	0.8
150.05624	6.2
159.03009	1.6
161.04561	8.0
168.91467	1.4
178.24820	0.9
179.07172	2.3
189.05600	2.1
205.05029	1.2
239.39027	0.9
251.08916	1.6
251.11363	20.8
311.04645	1.0
311.09238	4.1
311.12823	6.7
312.10861	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	311.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43579	0.3
59.38034	0.4
79.95708	1.9
98.95627	0.6
102.00521	0.3
119.05042	1.4
158.44176	0.3
170.00400	1.0
183.01210	52.6
184.01932	5.3
197.02785	2.2
198.03508	0.8
216.00978	2.0
230.02577	0.4
239.07513	0.7
247.20729	0.4
311.16864	100.0
312.09521	0.3
312.17169	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	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03449	0.6
58.00596	10.5
59.01374	2.6
70.60947	1.3
71.01389	0.6
73.02962	1.7
82.28533	0.6
109.06581	2.2
125.09688	1.1
127.07658	6.6
127.11298	2.3
139.11282	1.0
149.09717	0.7
155.10854	1.3
171.10291	4.0
179.14314	0.7
183.13893	25.9
184.14236	1.5
195.13887	1.8
201.11328	15.8
211.13383	2.3
213.14993	7.4
223.13354	1.7
241.14459	5.7
275.20087	1.9
293.21301	8.8
311.22281	100.0
312.22647	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
70.32774	3.3
71.01386	5.7
73.02950	3.2
83.01389	1.8
85.02963	3.5
93.62007	0.9
101.02459	5.0
113.02451	2.1
161.04561	3.1
212.66539	1.0
256.98584	0.9
269.10266	2.3
311.11002	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.9
58.00608	1.3
59.01366	1.9
66.22858	1.1
79.53529	1.1
98.20756	2.5
109.06569	2.1
111.08162	31.3
112.08509	1.3
127.07693	2.4
145.26582	0.9
151.11281	2.4
151.15901	1.1
153.12755	1.0
163.73601	1.0
167.10715	1.1
169.12372	6.8
179.10783	1.3
181.12315	3.2
183.13885	1.7
197.11830	100.0
198.12132	5.0
199.13390	5.0
211.13408	12.0
227.12935	2.6
229.23091	1.0
263.20123	6.6
265.18048	2.4
273.18475	1.2
291.19644	20.7
292.20001	2.1
309.17270	1.2
309.20685	35.0
310.20966	3.4
312.15717	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25586	0.5
52.17150	0.5
57.03429	0.9
59.01374	1.7
71.05054	0.8
73.02915	0.6
81.03479	0.7
82.08939	0.5
83.05074	0.6
84.73547	0.6
95.01395	2.7
97.02914	0.7
99.00883	8.2
99.03424	0.6
101.02409	0.7
109.06630	0.7
111.00905	1.3
111.08161	8.2
117.21756	0.5
123.00876	1.3
123.04467	0.8
127.07657	1.4
137.06126	1.0
137.09702	0.8
151.02731	0.7
151.04010	25.2
151.07649	38.2
152.04327	1.6
152.08438	36.7
153.08853	2.8
162.10551	1.2
163.11314	0.7
165.05553	0.7
165.12834	0.7
169.12296	1.3
171.10281	0.7
175.07610	1.5
179.14357	0.7
180.07877	1.0
181.12271	0.9
184.07411	7.3
190.09982	3.6
193.08702	5.0
193.12386	1.1
195.13907	1.3
197.11827	21.1
198.12192	1.1
199.13423	1.4
208.11050	4.5
209.15465	66.6
210.15779	5.7
211.13367	3.9
221.15416	1.0
229.23407	0.6
247.17006	3.8
247.20558	0.8
252.10008	11.7
253.10350	1.1
263.20099	1.3
265.18091	15.3
266.18320	1.4
291.16058	4.2
291.19650	15.3
292.16739	0.6
292.19995	1.7
309.17056	100.0
309.20667	20.7
310.17404	11.0
310.21045	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	309.2071
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
55.01861	1.3
57.03431	2.8
59.01381	6.5
69.03442	1.7
71.01342	1.9
71.04983	1.6
77.83508	1.2
80.02667	2.2
81.03435	3.4
83.01376	7.2
83.04975	4.4
93.03432	1.1
95.04997	2.7
96.95973	1.4
97.02910	2.5
97.06553	3.9
98.03695	2.4
98.19751	2.4
99.00871	1.4
106.73699	1.1
111.08114	4.5
113.09654	1.4
123.04480	3.6
123.08097	4.0
125.06039	1.6
125.09727	8.4
127.07606	1.4
127.11255	1.8
135.08118	1.8
137.09645	2.3
139.11281	11.6
139.46375	1.2
143.75650	1.3
150.68787	1.3
151.03963	2.8
151.07605	6.9
152.08296	3.9
163.11288	8.0
165.12865	14.4
166.13101	1.3
167.10701	5.2
171.10173	3.1
171.69153	1.2
180.04262	1.3
181.12238	4.2
191.10741	2.5
193.15913	5.8
197.11809	10.9
208.97029	1.4
209.09969	2.2
209.11816	40.7
209.15385	10.7
210.12059	4.3
211.13293	3.3
219.17592	1.8
221.00623	1.6
225.11137	1.4
245.18837	1.4
247.20682	14.2
263.19858	1.2
265.21500	4.5
273.18463	2.8
274.18579	1.3
281.21127	2.2
291.19653	100.0
292.19940	9.7
309.15036	10.9
309.17044	8.7
309.20514	43.1
310.20831	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	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.14931	3.5
57.03449	18.2
59.01389	22.5
70.64754	10.0
71.01380	10.7
71.55475	4.0
83.05016	6.4
84.72347	3.9
95.05009	4.9
96.95982	5.0
97.02943	14.8
97.06565	5.4
99.00858	8.3
111.08153	22.2
113.09706	12.7
124.62324	4.9
125.09684	5.5
137.09732	8.5
151.03999	6.9
151.07620	19.8
151.11279	32.8
152.08401	16.3
163.11282	6.8
163.60081	3.7
165.12823	31.9
167.10745	3.6
171.10278	5.5
173.09708	3.9
179.10751	5.5
181.12389	42.2
191.10733	11.6
193.15932	6.3
197.11836	46.6
199.13403	5.7
209.11870	61.1
209.15404	30.7
210.12111	4.8
211.13383	10.7
227.12926	9.1
247.20592	11.2
261.62183	4.3
263.20303	4.1
265.18143	7.3
265.21564	6.3
291.16284	4.7
291.19659	75.4
292.20111	6.4
309.15149	26.5
309.17200	22.4
309.20535	100.0
310.21060	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	309.2073
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
56.18385	1.2
57.03484	1.6
59.01375	4.0
59.08291	1.2
61.90193	1.3
67.01899	1.5
69.03453	1.3
83.34264	1.4
96.96059	1.8
97.06618	2.0
109.59758	1.2
111.08177	2.7
121.10241	13.2
123.22240	1.3
125.09723	9.8
137.09726	3.2
139.11263	1.2
167.14494	2.6
171.10265	5.4
185.11833	13.1
195.13843	1.5
197.11835	7.5
211.13397	71.6
212.13736	5.3
214.17638	1.4
247.20660	1.6
291.19675	100.0
292.20023	11.2
309.20660	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49371	1.3
58.00598	2.1
59.01398	1.5
64.36864	1.1
69.94288	4.9
98.20580	1.5
109.06622	1.7
111.08166	38.3
112.08479	1.4
127.07656	1.9
142.16838	1.1
145.16939	1.0
153.12798	1.6
169.12355	6.5
181.12329	1.5
197.11841	100.0
198.12090	5.1
199.13390	3.6
211.13419	8.6
216.10214	1.2
216.90945	1.1
227.12906	4.8
235.37428	1.2
263.20096	3.4
265.18134	2.0
273.18677	3.4
291.19666	18.4
292.19901	2.0
298.63351	1.3
309.17316	1.4
309.20709	35.3
310.21094	3.7
332.36765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
52.14733	1.1
53.93263	1.1
57.03426	4.1
59.01382	6.9
61.27681	1.1
69.03442	1.8
71.05003	1.8
72.30672	1.2
73.02926	1.7
83.05023	3.8
85.06569	1.3
90.26241	1.2
93.31917	1.1
95.05016	1.2
97.02946	3.1
97.06554	2.5
98.03615	1.6
109.06577	1.6
111.08126	4.8
112.37496	1.2
113.09740	2.2
115.07690	1.6
125.06165	1.2
141.09145	2.3
142.40120	1.2
151.03970	1.6
151.07599	4.8
152.08420	3.3
165.12758	4.1
171.10245	1.1
181.12282	4.5
183.13846	3.0
195.13873	8.2
197.11830	14.3
209.15443	7.1
211.13385	6.4
216.00026	1.2
221.15501	7.8
223.13321	2.5
227.12915	1.3
239.16531	1.4
247.20609	3.8
251.16522	2.3
265.17999	1.8
273.18478	4.5
279.71045	1.3
281.21133	1.4
291.19650	50.9
292.19955	4.9
309.17084	10.8
309.20663	100.0
310.17697	2.3
310.21014	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	309.119
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
57.03429	2.3
58.00594	1.4
58.30381	0.6
59.01379	43.6
69.71656	4.2
71.01382	23.2
72.99297	2.0
73.02943	2.2
77.95446	0.7
82.14739	0.7
83.01382	1.7
85.02945	7.2
87.00874	1.0
89.02441	17.4
95.01371	2.2
97.02946	2.3
99.04479	1.2
101.02444	14.0
101.06027	1.4
111.04476	1.1
113.02439	9.3
119.03509	7.2
129.05621	3.4
129.19170	0.6
138.00969	0.7
143.03410	0.8
143.07091	0.9
147.06630	63.7
148.06956	2.1
161.04581	1.0
177.05586	0.8
189.07677	2.3
286.48239	0.8
309.11893	100.0
310.12268	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.03445	1.5
58.00586	2.7
59.01383	52.9
60.01720	0.8
71.01383	31.7
71.04998	1.4
71.49532	0.9
72.99323	2.9
73.02946	2.4
75.00871	4.1
83.01392	1.1
83.05030	0.8
85.02955	7.4
87.00887	1.2
89.02448	26.6
95.01386	3.4
97.02966	1.0
99.00876	0.9
99.04508	1.2
101.02451	17.4
101.06089	2.5
111.04542	0.9
113.02451	10.1
119.03510	11.1
120.99686	0.9
129.05583	7.6
130.05905	0.7
143.03458	1.4
147.06642	36.5
148.06990	0.8
149.06052	0.8
161.04518	0.9
177.05638	1.2
179.05611	1.2
189.07817	0.8
191.03445	0.8
203.03545	0.8
221.04535	1.0
225.29591	0.6
237.06088	2.2
237.82518	0.6
249.00052	0.7
288.83475	0.7
309.11911	100.0
310.12296	6.4
313.78061	0.6
316.87408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01690	1.2
67.50597	0.9
70.37020	1.0
71.01387	2.9
71.51799	1.4
73.02945	2.1
80.96536	1.1
85.02964	1.8
93.03468	1.0
99.00933	0.9
101.02481	1.4
107.01382	1.1
108.02155	4.6
113.02433	1.5
117.03458	2.3
123.00858	1.3
123.04617	0.9
125.02441	4.1
127.02877	1.4
133.02986	3.4
137.02444	1.5
145.02956	9.0
147.06427	1.0
149.02446	1.0
151.00317	2.0
152.01164	2.6
153.01550	1.0
161.02437	10.7
162.02921	0.8
163.04102	0.9
168.00681	1.3
169.01443	2.2
172.67557	0.9
177.01988	4.2
189.01929	3.7
202.35326	0.9
203.03362	1.0
205.01369	3.7
219.02780	1.0
233.00902	34.4
233.03712	6.4
233.53963	1.8
234.01157	2.8
242.80911	0.9
249.13344	3.6
265.03555	7.9
265.06030	1.2
276.99930	1.0
287.04962	1.3
309.02551	8.5
309.09900	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2279
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
59.01371	1.1
62.67130	0.3
71.01379	0.5
94.32162	0.3
96.96040	0.9
98.19781	0.7
102.28601	0.4
102.72391	0.3
109.65775	0.4
112.33678	0.4
116.07305	0.3
117.81467	0.4
135.00754	0.4
147.00836	0.5
229.12021	0.4
229.54271	0.4
291.84653	0.4
307.22781	100.0
308.23126	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	309.1191
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
54.39732	0.8
55.01867	1.4
57.03426	0.9
58.00592	1.9
59.01382	56.6
70.64117	1.9
71.01383	26.2
72.99316	2.2
73.02940	1.6
80.82354	0.8
83.01397	2.0
83.05036	2.5
85.02950	6.8
87.00850	1.1
89.02448	22.7
89.93184	0.9
95.01402	1.8
97.95518	0.8
101.02444	19.2
101.06068	2.1
110.73917	0.8
111.04509	1.9
113.02465	9.8
119.03527	9.7
123.00740	0.9
124.57744	0.8
125.02578	1.2
129.05582	15.3
145.13318	0.7
147.06636	8.5
153.40614	0.8
161.04550	1.8
177.05637	1.1
229.02655	0.9
268.26456	1.0
273.81863	0.9
304.70480	0.9
309.11905	100.0
310.12311	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52331	1.8
57.03442	7.2
58.36352	2.1
59.01381	21.7
69.03469	3.2
69.36861	1.7
71.01377	10.2
73.02950	4.2
80.02696	2.3
83.05016	3.3
85.02919	2.8
91.01933	2.5
93.03454	1.7
95.05013	3.4
96.95990	4.8
97.06599	13.5
97.32414	1.7
101.02434	4.1
108.02184	4.0
109.02966	2.8
109.06622	2.2
111.08159	7.6
111.30242	1.8
111.83749	2.0
122.03738	6.7
123.04475	3.1
125.09772	2.9
132.67307	1.8
135.04530	3.8
137.09692	4.1
144.95892	1.6
149.09724	5.1
151.04054	2.0
151.07651	2.1
151.11290	15.2
153.09178	2.3
153.12866	2.9
155.10751	11.3
161.04536	6.6
163.11281	4.4
165.12862	14.9
167.10716	2.7
177.12845	2.4
179.10712	5.5
181.12338	16.9
185.11783	2.9
190.99854	3.7
191.10751	6.5
191.14447	7.6
193.56085	1.9
197.11836	2.3
209.11830	36.5
210.12096	2.4
211.13377	6.3
219.02957	2.2
235.02457	2.9
235.13278	2.3
245.19112	27.3
261.18573	5.2
263.20139	6.0
271.17017	2.0
279.19644	4.0
289.18085	72.6
290.18423	4.8
290.21652	1.9
307.00818	2.0
307.10269	5.6
307.19144	100.0
308.19440	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	307.1914
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03444	6.2
59.01374	14.5
59.99112	2.2
64.80418	2.0
69.03437	2.9
71.01371	8.4
80.02650	2.6
81.03463	2.1
83.05043	4.6
85.02947	2.2
85.91385	1.8
91.01923	2.7
93.03482	2.5
94.43475	1.8
95.05006	3.9
96.95998	2.3
97.02955	2.0
97.06586	15.6
98.20670	4.6
101.02473	2.0
109.06594	3.2
111.08141	9.1
123.08183	2.7
125.09710	5.0
137.09689	3.5
141.05707	2.1
149.09688	4.4
151.11270	19.3
153.09213	3.1
155.09608	2.1
155.10768	11.2
161.04524	4.2
163.11250	5.0
165.12854	19.1
167.10812	4.6
169.12326	4.2
173.09647	2.6
177.12852	4.0
179.10785	4.0
181.12361	15.6
185.11794	3.1
190.76437	2.0
190.99977	2.5
191.10783	7.6
191.14398	8.5
191.52591	1.9
197.11819	4.0
205.12357	2.6
209.11845	38.7
211.13370	9.4
224.10619	2.7
239.09267	4.3
245.19073	37.2
246.19525	3.2
246.38284	1.9
263.16449	1.8
263.20047	12.0
271.17084	2.7
279.19754	3.6
289.18088	45.5
290.18353	5.2
307.04559	3.2
307.10287	5.2
307.19138	100.0
308.19583	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	307.1915
Annotation	Soraphen O
Peak:m/z	Relative Intensity
57.03430	1.4
59.01381	7.0
65.05112	0.7
70.29027	0.7
70.36149	0.7
71.01373	2.6
71.05025	5.8
71.19759	0.7
80.02687	1.2
81.03454	1.6
83.05006	2.0
84.06767	0.6
85.02961	0.9
95.05006	2.7
96.96017	1.6
97.06605	0.7
98.03728	1.5
101.02431	1.2
102.23820	0.7
106.04210	1.0
107.05023	0.8
109.06586	14.6
111.04510	8.4
111.08160	1.8
114.88103	0.7
119.01390	0.9
121.06570	0.8
123.08119	1.6
127.07641	2.8
135.08167	0.9
137.06029	0.7
137.09697	1.7
143.10776	2.2
143.24115	0.7
145.06557	2.4
147.00856	1.2
148.11610	0.7
149.09727	1.5
158.97360	0.8
161.04568	2.5
163.00372	0.9
163.11360	0.9
167.10716	2.0
179.10744	1.1
191.14355	1.1
195.13919	3.8
233.97812	0.8
235.13397	2.0
245.19044	5.5
249.14900	0.9
251.16426	1.1
263.02139	0.8
271.16946	1.8
287.16525	2.2
289.18088	100.0
290.18442	9.6
307.10358	1.9
307.15656	1.6
307.19070	11.9
308.19461	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.9
59.01376	8.4
59.20821	1.3
61.34573	1.1
69.03434	2.2
71.01378	3.1
73.02959	1.2
80.02672	1.3
81.03447	6.7
83.01395	6.8
83.05019	3.4
89.00340	1.1
95.05026	3.3
97.02950	5.5
97.06615	9.6
98.20674	3.2
106.04276	1.4
107.19654	1.3
109.06603	2.5
121.06588	2.7
123.04534	12.6
123.08174	3.1
125.09720	16.3
135.08150	3.4
137.06075	2.1
137.09738	11.0
141.12854	2.7
145.06628	1.3
149.06084	2.8
151.11261	1.4
157.69740	1.0
161.04517	3.0
161.09692	2.8
162.10515	1.5
163.07642	1.9
163.11285	15.5
164.08371	1.2
165.09251	1.7
165.12859	3.2
167.10760	2.5
171.10292	1.3
173.09631	1.2
175.11349	1.5
177.12813	1.6
179.10750	3.2
181.12282	4.3
185.11824	19.4
191.10803	2.5
191.14372	15.6
192.14648	1.3
205.12167	1.3
207.10245	9.9
209.11833	29.1
210.12155	2.3
211.13409	2.0
217.15921	1.6
225.11288	9.3
226.11929	1.5
245.00949	1.4
245.19090	42.3
246.19376	4.9
247.16925	2.2
261.18701	1.7
263.20142	2.4
263.49429	1.0
266.75259	1.2
271.17053	5.0
275.16565	1.8
289.18094	100.0
290.18466	8.4
307.01041	1.2
307.19147	56.4
308.19446	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	307.1915
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
57.03437	3.8
59.01156	1.3
59.01382	13.4
60.75299	1.4
63.77340	1.2
67.01870	1.2
69.03458	2.0
71.01360	4.2
71.50385	2.3
73.02948	1.8
81.03452	4.9
82.59457	1.2
83.01376	3.2
83.05010	3.0
85.02945	2.2
91.05547	1.5
95.04996	3.2
97.02948	5.1
97.06587	11.1
101.02428	1.4
106.04266	1.6
109.06572	2.6
111.08169	2.4
117.03477	1.2
119.01369	1.6
119.08687	1.4
121.06641	1.7
121.10238	4.2
123.04554	8.1
123.08149	3.6
125.09727	12.9
135.04483	1.8
135.08141	3.7
137.09741	9.6
141.12849	2.6
142.02869	1.5
147.00912	1.7
149.06104	2.5
149.09705	1.3
161.04518	2.3
161.09714	1.8
162.29768	1.5
163.00386	1.4
163.07645	1.6
163.11295	13.6
165.12808	3.0
171.10202	1.7
177.12784	2.0
179.10789	2.9
181.12346	2.6
185.11826	20.8
191.10770	1.8
191.14383	16.5
207.10205	7.7
209.11797	14.9
211.13441	1.7
225.11346	7.8
233.56091	1.5
237.11273	3.4
245.19075	36.8
246.19299	3.0
247.16846	2.1
261.18484	2.2
271.17032	4.1
289.18088	100.0
290.18439	10.2
306.97363	1.6
307.10443	2.6
307.19141	86.1
308.19354	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	307.1916
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.81914	1.5
57.03451	2.7
59.01378	14.3
65.03962	10.5
69.03459	3.7
71.01389	4.3
71.05032	6.1
72.02856	1.6
73.33955	1.3
79.05536	1.8
80.02668	3.0
81.03465	2.5
83.05016	8.5
85.02946	1.8
91.05526	1.7
93.03459	25.0
96.96015	3.2
97.06592	18.4
98.19849	2.7
101.02438	1.8
105.07130	2.0
106.04256	3.6
107.08700	1.6
109.06575	2.1
111.04515	3.3
117.07104	21.5
119.05037	5.7
119.08664	35.2
120.05842	2.5
120.08982	1.9
121.06594	16.0
123.08150	3.4
125.02410	1.8
125.09720	21.9
127.11320	2.3
129.01642	1.6
131.94484	1.5
133.06612	8.6
135.08165	100.0
136.08498	5.5
137.09714	4.6
138.06921	2.1
161.04552	4.2
163.09978	1.8
163.11234	1.8
171.10258	79.7
172.10626	5.3
185.11832	16.5
209.11819	14.2
211.13353	8.0
227.17926	1.8
233.15480	5.5
235.13388	16.7
245.19112	5.1
249.15041	7.7
261.18747	2.2
263.02240	1.8
271.17029	4.9
279.19687	5.6
289.18091	73.0
290.18442	6.4
307.10303	4.3
307.19147	37.5
308.19485	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
51.11191	0.7
51.55980	0.6
52.81896	0.6
55.01884	1.1
58.00603	1.7
59.01382	46.0
63.98127	0.8
66.08320	0.7
71.01383	24.8
71.01779	1.3
71.51723	0.8
72.99306	1.7
73.02946	1.6
80.96525	0.8
83.01387	1.7
84.02160	0.9
85.02966	5.2
87.00880	2.2
89.02453	22.4
89.03016	1.1
95.01413	2.0
97.02959	0.7
99.00875	0.8
99.08167	25.7
99.96915	0.7
100.08492	0.9
101.02441	16.6
113.02466	7.7
119.03523	8.6
119.04995	0.7
120.05288	1.0
127.07661	6.5
129.09200	1.7
141.09221	2.7
145.03067	0.8
145.08714	69.8
146.09050	2.3
149.04568	0.7
149.06032	1.1
161.04599	1.4
179.05656	1.0
181.72893	0.7
187.09750	2.7
193.05077	1.1
213.42029	0.6
307.13998	100.0
308.14258	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	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.8
62.92709	0.4
70.92532	1.0
71.01355	0.9
74.35901	0.4
74.99072	6.1
75.96227	0.5
86.39895	0.5
88.62149	0.6
91.02222	2.1
93.00154	2.1
119.01385	0.5
122.03748	1.4
132.62875	0.4
143.05310	0.4
149.00961	2.9
159.08475	5.9
160.08456	0.5
161.04530	0.7
161.06381	1.7
192.98109	1.0
206.99687	1.6
209.01308	2.7
217.07149	0.7
223.02829	48.8
224.02832	5.2
241.04025	0.6
245.19092	0.5
275.05881	0.6
289.07520	1.7
289.18088	1.3
291.09103	100.0
292.09232	12.4
307.12500	2.5
307.19189	3.1
307.22794	5.9
309.09906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.2
58.02966	3.8
59.01379	100.0
60.01720	2.0
69.38770	6.4
69.39182	3.0
71.01390	8.8
73.02914	1.3
74.02492	6.2
75.02786	1.3
85.02975	6.2
86.02486	2.1
89.02446	5.6
94.98178	1.1
99.05647	3.7
101.02446	6.1
101.03036	1.1
108.09753	1.1
108.10477	1.1
113.02478	2.8
117.03417	2.0
119.03520	1.5
120.99683	3.8
125.02446	2.4
127.07648	2.0
127.20567	1.2
128.03546	10.2
129.03955	5.8
143.04605	13.7
144.04988	7.9
145.08708	3.5
146.32858	1.4
160.00735	2.7
161.01039	1.3
161.02344	2.5
162.00352	1.3
175.03915	2.3
179.04680	2.2
180.04982	2.3
189.01926	5.8
201.05533	1.6
211.09181	3.3
217.01353	4.0
219.03027	1.3
231.03098	1.3
243.02351	1.3
245.00960	5.9
248.03134	2.2
254.07962	1.4
255.08099	5.6
263.05563	3.5
271.84052	1.2
272.08768	1.6
273.09085	4.4
275.01825	4.5
307.04388	12.8
307.07892	6.2
307.14032	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01872	1.4
57.03440	0.8
58.00588	1.7
59.01380	48.8
62.46698	0.6
71.01382	25.0
72.01707	0.9
72.99303	1.8
73.02944	1.6
77.91972	0.6
83.01396	2.1
85.02961	5.5
87.00870	2.0
87.82082	0.6
89.02445	21.8
91.90454	0.6
95.01383	1.8
98.20667	1.5
99.08160	20.9
101.02444	16.1
113.02435	8.4
119.03505	8.1
127.07654	4.4
129.09221	2.3
131.03452	0.8
141.09219	2.0
145.08705	65.3
146.09042	2.5
161.04562	1.5
179.05626	0.9
187.09715	2.2
307.13968	100.0
308.14331	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	307.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20359	1.9
59.01380	6.6
66.47751	2.0
71.01397	3.4
71.52097	1.9
72.00897	4.2
72.04554	26.8
73.02966	2.1
87.05646	19.6
88.04037	18.1
91.05543	10.4
95.02556	1.9
96.95979	2.1
97.04080	5.6
99.05640	5.4
100.04048	100.0
101.04358	1.6
105.03384	1.5
109.04066	3.4
114.01960	2.0
115.05134	92.4
119.05021	3.4
123.04389	1.7
125.02421	3.2
135.04506	2.7
144.03027	51.9
145.02890	8.4
147.04503	7.3
148.07684	2.0
158.06071	2.0
159.17445	1.7
161.04541	2.3
163.00378	3.4
163.07597	2.6
164.07101	2.2
167.50696	2.0
169.01486	2.6
176.01231	1.9
176.07196	15.9
189.01938	2.2
190.05063	2.9
191.00055	2.1
201.10390	12.2
218.04617	1.7
218.99315	2.4
219.02910	3.9
219.11539	1.8
220.06081	3.2
235.10866	55.8
235.13145	3.7
236.11252	3.7
245.09232	24.5
261.08887	4.2
263.10379	13.5
289.08200	2.5
307.00919	5.7
307.04449	4.1
307.09698	3.6
308.01193	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	307.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
59.96731	0.3
60.97521	0.2
70.00196	0.6
70.00602	0.4
71.01400	0.5
72.85539	0.2
74.99067	6.7
75.96204	0.3
80.76217	0.2
91.02218	2.7
93.00136	1.8
93.73182	0.3
97.90749	0.2
98.20525	0.3
101.02483	0.3
107.10281	0.2
143.05374	0.4
149.00946	2.9
159.08458	7.1
160.08565	0.3
161.06390	1.6
192.98155	0.7
202.45445	0.2
206.99776	1.4
209.01263	2.6
215.05508	0.2
217.07095	1.2
223.02826	50.8
224.02859	4.9
241.03883	0.7
275.05923	0.4
289.07501	1.4
289.10364	0.2
289.18106	0.5
291.09091	100.0
292.09232	12.3
307.12262	3.1
307.19165	0.9
308.12445	0.3
309.10034	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.046
Annotation	Fulvic acid
Peak:m/z	Relative Intensity
67.01884	3.0
69.39833	8.4
74.37021	1.1
75.26716	1.1
89.38651	1.0
93.48194	0.9
95.01395	1.6
101.03969	3.3
103.05534	1.0
117.07088	3.1
119.05041	1.5
123.04520	2.8
125.02447	10.5
127.05550	3.6
129.07114	7.2
131.05037	1.3
143.05023	2.3
143.06133	0.9
145.06593	7.2
151.04013	11.0
155.05045	5.2
156.05753	3.1
157.06563	7.7
158.03650	1.1
159.04454	1.5
161.02428	1.7
169.01416	6.3
171.04515	2.3
173.06073	11.2
175.04018	7.9
177.05518	3.2
183.04509	3.2
193.01360	1.9
199.04085	1.7
200.04778	10.7
201.05568	100.0
202.05949	6.3
203.03563	2.5
217.04916	1.7
219.06596	10.5
220.07007	1.2
227.03503	4.2
245.04538	27.5
246.05023	1.8
263.05673	7.5
271.02429	1.9
289.03534	53.8
290.03906	4.4
307.04599	99.9
308.04990	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	307.0458
Annotation	Fulvic acid
Peak:m/z	Relative Intensity
53.47441	0.4
59.01379	5.0
66.11338	0.5
69.80354	2.8
71.01376	0.6
81.03461	0.7
85.02958	0.7
93.03463	1.5
93.18106	0.5
101.03963	1.0
101.10945	0.5
107.05026	1.1
109.02941	1.2
115.26906	0.5
117.03445	0.7
117.07139	0.9
119.05003	1.4
123.00912	1.0
124.01641	1.7
125.02453	6.6
127.05528	1.3
129.07115	3.1
131.05035	1.5
135.04498	2.1
143.05060	0.9
145.02959	1.3
145.06573	3.0
147.04483	2.3
155.05005	1.4
156.05792	1.3
157.06586	14.3
158.03725	1.0
158.06950	0.6
159.04530	2.7
161.02492	1.0
161.06102	0.8
163.03998	0.8
164.01141	0.8
171.04498	1.6
173.06064	5.9
174.03217	0.8
175.03981	3.2
177.01952	0.8
179.03468	2.1
183.04504	1.5
184.05249	0.6
185.02458	0.8
187.03995	0.6
189.01932	1.7
189.05533	0.9
190.02713	4.9
191.03471	1.7
199.04042	1.4
200.04729	0.9
201.01891	0.8
201.05557	19.6
202.05983	1.2
203.03508	10.0
204.04083	0.9
217.01306	0.7
217.05031	3.2
219.02956	3.7
235.06029	0.7
245.00826	0.9
245.04527	1.2
248.03210	0.8
263.05579	21.1
264.05856	1.4
275.02075	0.7
307.04575	100.0
308.04889	6.8
326.39670	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
62.80034	0.3
69.32365	3.3
71.01382	10.5
91.81928	0.4
105.05843	0.4
115.00375	11.0
119.01432	0.5
119.07363	1.2
122.03759	1.4
123.04423	0.5
128.03574	0.7
134.09764	37.6
135.10123	1.9
136.25420	0.5
143.04578	0.5
147.00862	0.7
147.80023	0.4
148.11331	0.4
161.04520	0.5
161.08461	0.6
163.00499	0.5
175.10068	1.8
189.11649	0.4
190.12376	100.0
191.12697	6.5
194.14951	0.4
200.14543	0.6
218.15503	3.5
245.15317	0.6
262.14468	11.7
263.14655	1.0
264.93936	0.4
288.12299	1.0
289.14453	1.3
306.13455	7.4
307.15704	2.3
307.18909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0765
Annotation	Glutathione
Peak:m/z	Relative Intensity
56.60908	0.4
58.02975	14.4
58.77568	0.4
58.99584	0.6
59.01372	0.7
66.03484	1.8
68.05050	0.5
70.02972	2.3
71.01379	1.1
71.10108	1.1
72.00906	2.5
74.02474	32.9
74.99059	0.6
81.04591	1.4
82.02983	3.9
83.02551	0.7
84.04552	1.5
85.02970	0.7
85.04080	1.5
86.02475	10.8
86.06123	1.0
86.99104	2.9
87.05634	12.0
88.04034	1.1
90.00201	4.0
96.04553	0.7
96.96043	0.5
97.04075	4.1
97.35759	0.4
98.06150	0.7
99.05644	27.7
100.00385	0.7
100.06074	0.5
101.07202	3.6
102.05609	4.1
107.06164	1.1
109.04083	4.2
109.07713	1.6
109.76014	0.5
110.02471	0.7
111.05644	2.6
112.04058	4.1
113.03562	1.5
113.07206	1.2
116.01728	2.3
119.05031	0.8
120.01260	1.2
121.04065	0.5
123.05647	2.6
124.04025	2.3
125.02467	1.3
125.03568	2.5
126.01971	0.8
126.02805	0.9
127.05141	5.8
128.03542	68.3
129.03871	1.9
129.99704	0.7
131.04652	2.5
135.05640	5.8
136.56973	0.4
137.07228	2.2
141.06706	7.8
143.04622	100.0
144.01170	0.5
144.04988	2.4
145.06184	4.7
146.04590	8.4
149.07150	0.6
153.06717	6.1
155.08272	1.0
160.00739	25.0
161.01088	0.7
163.03978	0.7
165.06633	0.6
166.09850	4.1
167.04630	7.1
167.08270	2.5
170.03337	0.8
171.04102	0.9
171.07677	1.0
177.03403	8.6
179.04631	20.0
180.05078	0.7
180.06586	4.4
180.07948	0.7
181.06140	3.1
184.10959	1.5
185.05666	4.2
186.29897	0.5
192.07828	1.2
197.05637	3.1
198.08858	1.9
210.08858	17.8
211.08992	0.9
213.03368	1.3
218.11876	0.6
226.04260	0.6
228.09833	2.2
231.04483	1.0
242.07803	3.7
245.01019	0.7
254.07803	22.9
255.08134	0.6
262.10840	1.7
272.08878	28.7
273.09171	1.4
288.06607	5.2
306.07629	32.5
307.04596	0.6
307.07843	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	305.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72886	0.9
59.01381	100.0
60.01694	1.1
71.01373	5.9
73.02966	1.2
82.90147	0.9
83.01367	1.8
85.02933	2.8
86.33165	1.0
87.00881	1.5
89.00340	1.1
99.00882	1.4
101.02444	5.7
101.55051	0.9
112.58302	1.0
113.02456	2.4
117.03460	1.7
125.02436	1.9
133.02965	1.2
134.92789	1.0
145.02917	1.8
160.98820	1.6
161.02423	3.0
161.04518	2.1
175.03893	1.2
183.02986	1.1
189.01894	2.2
203.03392	1.3
217.01408	3.0
232.97343	1.8
233.04677	1.2
245.00903	1.2
249.03995	1.4
263.14917	6.6
273.00366	4.3
277.03418	2.9
287.02017	1.2
304.99515	1.6
305.02969	4.1
305.13727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
52.41068	0.7
57.03456	2.0
59.01369	4.3
66.87529	0.8
69.03431	1.2
69.27059	0.7
71.05020	30.5
71.05416	1.5
81.03451	3.1
83.05028	1.2
89.67027	0.7
92.76542	0.7
93.03458	2.4
95.05025	17.4
97.06571	1.2
97.62683	0.8
98.19899	1.3
99.00932	1.0
105.72333	0.8
106.04253	2.2
107.05025	2.4
109.02931	1.3
109.06589	11.9
110.03703	0.9
111.04515	2.1
119.05051	1.7
120.05820	1.2
121.06579	5.1
122.03741	2.4
123.04526	1.4
123.08191	1.5
125.02438	1.0
127.07606	1.6
135.08194	4.0
136.05292	1.1
139.07593	1.0
147.04529	2.6
147.08167	3.2
149.06046	1.8
150.06870	1.4
150.58466	0.9
153.09178	1.2
156.49539	0.9
159.08162	0.8
161.02374	0.9
161.06064	2.1
161.09752	1.7
162.52258	0.7
164.08391	1.2
165.09210	11.5
175.07648	1.1
175.11316	0.8
179.14301	0.9
189.12856	14.3
195.13852	0.9
203.14378	1.1
205.15976	8.4
215.10791	1.1
217.01489	0.8
229.05447	1.0
229.12468	0.9
231.13907	2.5
232.97314	1.1
233.11847	6.6
243.17471	10.1
245.15373	1.2
249.14943	11.2
250.15286	1.1
261.18576	3.3
263.16473	1.1
269.15457	1.8
287.16516	69.8
288.16852	6.8
305.17584	100.0
306.17911	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	305.0302
Annotation	Methyl brevifolincarboxylate
Peak:m/z	Relative Intensity
56.98608	0.4
59.01365	1.2
66.14603	0.5
67.61483	0.5
71.01351	1.6
71.52132	0.7
89.03940	0.4
96.96006	0.5
98.51929	0.4
99.00867	0.5
101.02443	1.1
105.03430	0.5
107.05045	0.6
113.02396	0.5
117.03477	4.1
119.04998	0.7
120.99612	0.5
121.02927	1.0
125.02431	4.2
128.03537	0.5
129.03419	1.4
133.02953	4.6
137.34528	0.4
145.02950	9.0
157.02899	0.9
158.66565	0.5
161.01158	0.7
161.02448	10.6
162.02823	0.5
163.04012	2.9
173.02440	6.9
185.02322	0.5
189.01930	14.9
190.02223	0.8
201.01930	6.1
216.00587	0.8
217.01408	50.7
218.01797	2.3
225.04021	1.9
229.01393	4.3
243.99954	0.6
245.00902	41.9
246.01286	2.1
252.67009	0.5
273.00394	100.0
274.00751	6.2
277.03543	1.0
288.99939	0.9
305.03024	50.3
305.10342	1.1
306.03308	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	42.9
59.03329	0.6
64.29181	0.4
70.97415	0.5
70.97775	0.7
96.44317	0.3
96.57169	0.3
127.96934	0.3
168.13937	100.0
169.14291	5.9
180.20786	0.4
197.68883	0.3
212.12958	3.1
243.14738	0.3
274.97800	0.3
304.19196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.9972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26428	0.4
57.03445	6.2
69.20055	3.0
81.03048	0.3
81.03436	1.6
83.01411	1.3
91.78357	0.3
95.05032	1.1
96.96011	3.4
97.02946	3.6
98.19935	0.8
99.00891	0.8
104.13267	0.3
115.04000	0.6
119.05032	1.4
125.02448	100.0
126.02763	3.0
137.06085	5.9
163.04010	1.5
181.05070	3.5
225.04033	62.8
226.04382	3.6
239.19064	0.4
304.99713	5.9
306.00061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0301
Annotation	Methyl brevifolincarboxylate
Peak:m/z	Relative Intensity
57.03460	1.6
58.02952	0.7
59.01388	2.0
68.99804	0.7
71.01381	1.1
74.02478	1.5
74.30434	0.7
89.02465	1.0
96.96015	1.2
97.02951	1.5
101.03988	0.7
105.03465	0.8
111.00867	1.6
114.73739	0.7
117.03471	3.1
119.05000	1.1
121.02986	1.3
123.00902	1.2
123.04535	0.8
125.02444	19.8
125.03328	1.4
128.03583	1.1
133.02959	4.3
143.04657	2.4
145.02959	6.8
147.00935	1.8
148.01727	0.8
149.02394	1.2
161.02432	13.4
162.03224	2.0
163.04022	2.7
165.05615	3.0
166.02675	5.7
173.02411	7.4
174.03227	1.9
175.00349	3.6
175.03992	1.0
176.01201	1.2
177.01935	4.3
177.05582	2.3
179.03418	1.3
188.01189	0.8
189.01930	25.1
190.02724	17.3
191.03323	1.7
192.00803	0.8
193.01418	4.4
193.05013	4.4
201.01918	7.8
202.02646	2.0
202.99875	2.5
203.03503	9.7
205.01416	3.6
205.05029	1.0
206.02226	0.9
217.01405	24.3
217.04796	1.2
218.02177	16.3
219.02776	1.8
220.03897	0.9
221.00890	1.9
221.04442	4.1
222.01711	2.9
225.04041	10.8
229.01350	5.8
229.98586	1.0
230.99478	1.5
231.02982	9.9
232.03453	1.4
233.00912	1.2
233.04533	3.4
235.02504	2.0
243.99979	0.9
245.00899	14.9
246.01656	12.9
247.02165	0.9
248.03175	3.1
249.04034	41.2
250.04443	2.6
254.07887	0.8
261.04047	6.0
263.01730	0.7
273.00391	25.4
274.00919	2.6
277.03522	100.0
278.03793	8.1
287.01855	1.1
290.00717	1.7
301.33737	0.7
305.03012	88.6
306.03372	7.2
306.06732	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	303.051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06127	0.3
67.01890	0.4
70.27541	0.7
70.27927	0.5
71.01386	0.3
83.01373	0.5
87.22652	0.3
110.00102	0.4
111.00887	1.3
123.00918	0.5
124.01669	2.2
127.00340	1.0
136.98813	1.7
139.00412	2.2
140.01149	3.1
151.00369	0.5
163.86562	0.3
166.99803	0.5
167.03488	0.4
168.00653	5.7
182.02277	0.4
183.02980	100.0
184.03290	3.9
303.00555	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	303.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.67201	0.9
69.52763	4.9
69.53158	1.3
71.01382	9.1
73.02950	13.5
77.96787	1.0
83.01379	2.1
85.02962	1.2
89.02454	4.6
95.01365	1.0
96.29828	0.9
98.19896	1.5
101.02454	8.4
108.32413	1.0
113.02436	4.2
125.02481	1.1
134.20406	0.9
182.18216	0.9
185.11809	1.1
201.78871	0.9
203.03438	1.2
230.99275	1.3
231.02979	3.3
259.02441	1.4
277.03937	0.9
285.00525	1.1
302.97507	1.7
303.00967	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	304.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70019	0.3
52.63413	0.3
53.52788	0.3
59.01375	2.4
60.01750	0.3
61.98830	100.0
66.82320	0.4
67.24778	0.3
69.96293	1.4
81.88198	0.4
90.53641	0.3
98.20549	0.4
159.01482	0.9
160.01595	1.0
161.01205	1.9
161.98947	24.3
162.99074	1.8
204.00002	4.6
204.89754	0.7
235.84164	0.3
263.84915	2.2
264.34775	0.9
264.84717	1.1
296.70297	0.3
303.67712	0.3
303.82745	4.9
304.00024	15.7
304.02686	1.0
304.32690	1.2
304.82706	1.7
304.85614	0.3
305.00131	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	301.1661
Annotation	Viridamine
Peak:m/z	Relative Intensity
60.97498	1.0
65.26463	0.3
70.98077	0.6
71.72642	0.3
74.99094	0.6
89.06279	0.3
91.02225	0.4
110.67603	0.3
118.96243	1.8
133.49725	0.3
134.99413	6.8
135.99347	0.3
136.97302	2.1
143.05350	1.9
159.08458	1.9
161.06418	5.4
166.54608	0.4
166.55923	0.3
194.67595	0.3
201.01942	0.3
201.03990	0.4
203.05670	3.8
205.03500	0.6
215.05678	1.3
217.07213	88.2
218.07393	7.1
229.01323	0.3
261.06287	0.5
283.11917	0.9
283.99692	0.4
285.13477	37.9
286.13684	3.9
299.99078	0.4
300.99933	4.2
301.16605	100.0
302.00711	0.3
302.16809	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	303.0509
Annotation	(plusmn)-Taxifolin
Peak:m/z	Relative Intensity
55.91763	0.5
57.03449	17.3
62.69674	0.5
63.02377	0.5
65.00327	3.2
68.99805	0.5
69.35641	3.7
69.36061	0.9
75.08598	0.4
81.03465	1.3
83.01385	6.6
93.03475	1.1
93.68525	0.5
95.01373	0.9
98.20713	1.2
105.03445	0.7
107.01403	2.8
108.02158	1.3
109.02951	3.0
111.00893	1.3
121.02943	2.3
123.04522	7.2
124.01636	1.8
125.02446	100.0
126.02789	3.0
133.02950	0.7
137.02452	1.4
139.03987	2.0
143.04996	0.5
145.02965	0.8
146.03764	0.7
147.04509	2.6
149.02429	6.4
150.03226	7.0
151.00378	9.4
151.03998	9.3
152.01128	3.7
152.04311	0.7
153.01938	6.2
154.02303	0.5
159.04420	0.7
161.02429	1.4
161.06090	1.1
161.79988	0.5
163.00258	0.6
163.03856	0.5
165.05547	1.1
171.04497	1.8
173.02425	1.2
173.06136	1.1
174.03191	3.5
175.03992	19.6
176.04402	0.8
177.01927	18.2
178.02252	0.9
178.99840	8.4
181.01376	1.7
187.04057	0.8
188.04794	2.8
189.05605	4.0
191.03612	0.7
193.05008	3.7
197.06017	0.8
199.03978	8.6
201.01900	2.8
213.05562	1.6
216.04274	2.0
217.05061	9.4
218.05272	0.5
230.99342	0.9
231.03032	1.1
231.06587	1.5
241.05081	7.4
243.02969	1.1
257.04514	1.6
259.05994	4.9
275.05569	5.4
285.04041	58.1
286.04382	4.4
303.00665	4.8
303.05005	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	301.0564
Annotation	fludiazepam
Peak:m/z	Relative Intensity
69.03455	2.5
69.89891	2.3
79.01910	1.3
81.03467	0.6
83.01411	1.1
95.01379	1.0
97.02962	2.3
102.69609	0.5
104.41087	0.6
107.01390	2.4
109.02994	0.5
123.00858	4.5
124.01669	15.9
125.02450	57.9
126.02790	1.9
137.02403	1.1
145.26450	0.7
149.99588	30.6
151.00414	3.4
166.99768	0.6
167.03511	0.8
168.00648	79.7
169.01392	9.7
241.21681	0.6
253.29456	0.6
283.04578	5.7
300.99933	3.6
301.05634	100.0
302.05951	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	301.0564
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
56.21565	0.6
59.01346	0.6
69.03452	1.6
71.06922	1.2
79.01905	1.1
81.03459	1.3
83.01385	1.6
95.01414	1.0
97.02945	2.1
107.01402	2.8
123.00863	4.9
124.00745	0.8
124.01659	17.9
125.02449	57.1
126.02758	1.3
139.04016	1.3
149.98360	1.1
149.99582	29.3
151.00403	4.0
168.00639	76.2
169.01405	10.5
249.51149	0.6
270.46466	0.6
279.97522	0.6
283.04611	6.7
300.99939	3.4
301.05646	100.0
302.05978	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	301.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.4
59.01364	0.6
60.28740	0.3
63.02397	2.0
65.00323	6.2
68.99820	0.3
83.01394	4.1
90.27576	0.3
91.01890	0.3
93.03466	8.1
95.01398	1.4
97.02936	0.3
101.03967	0.3
107.01392	7.4
108.02219	0.4
109.02945	0.8
111.00900	0.6
117.03477	2.6
119.01416	0.3
119.05038	0.9
121.02967	1.0
123.00877	1.1
124.01684	1.7
125.01807	0.2
125.02478	2.8
129.03477	1.2
133.02960	0.7
135.00896	0.9
135.04495	1.8
137.02443	0.9
138.03276	0.3
139.00342	0.4
143.05025	0.5
145.02966	3.7
147.04530	0.8
149.02426	0.3
151.00366	18.4
152.01155	5.2
153.01958	1.6
157.02965	1.9
159.04503	1.2
161.02426	2.9
161.06078	0.8
163.00366	3.3
163.04021	1.5
164.01059	0.4
169.01422	0.9
171.01057	0.3
172.01724	0.4
173.02441	3.4
177.05562	0.4
178.99857	6.3
181.01428	0.4
183.13869	0.9
185.02454	4.2
185.06061	0.4
187.03983	0.7
189.01932	0.9
191.03555	0.8
199.00400	0.5
200.01140	0.7
201.01920	3.9
201.05576	1.7
206.99338	5.7
208.00117	3.6
211.04085	0.3
213.01984	0.4
213.05605	0.5
215.03580	1.6
217.01401	1.2
226.99907	1.7
227.03513	0.3
228.00606	0.6
229.01428	5.5
229.04942	1.6
229.26160	0.4
244.00131	0.7
245.00850	2.8
245.04538	15.7
246.04909	1.4
254.99471	0.4
255.03096	0.4
257.00900	2.5
257.04617	2.0
273.00604	1.2
273.04044	18.5
274.04388	1.4
283.02502	0.9
283.99643	5.3
286.03967	0.4
299.99094	4.5
300.99915	100.0
301.03305	6.4
302.00272	7.6
302.03699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	Quercetin
Peak:m/z	Relative Intensity
63.02394	8.9
65.00324	14.8
66.00668	0.6
69.28770	3.6
69.29124	0.5
69.78557	0.4
83.01382	10.4
93.03459	5.7
95.01409	0.7
107.01393	23.3
109.02953	3.0
121.02955	22.4
122.03262	0.9
123.00867	0.4
124.01659	0.7
125.02441	1.1
129.83015	0.4
133.02986	0.5
139.03995	1.5
145.02960	1.7
147.04553	0.6
149.02440	3.2
151.00363	75.2
152.00676	2.6
157.02908	0.4
159.04536	1.3
161.02454	1.9
163.00375	1.8
163.04015	1.6
164.01167	1.4
165.01782	0.6
169.01431	1.8
171.00952	0.4
171.04550	0.4
173.02428	1.2
173.06062	0.5
175.03986	1.2
178.99857	25.6
180.00218	0.6
183.04544	0.6
185.02394	2.1
187.04042	1.4
189.02057	0.7
193.01384	1.7
201.01889	1.7
201.05556	0.9
203.03581	0.5
205.05014	0.7
211.04004	0.9
211.12878	0.4
213.01945	0.4
215.03412	0.7
226.99934	0.6
227.03482	1.1
229.01405	2.2
229.05063	2.2
230.02048	0.4
231.03076	0.7
243.02940	0.6
245.00896	0.9
245.04529	2.3
255.02847	0.8
257.00946	0.9
257.04480	1.4
257.13062	0.5
273.00635	0.5
273.04013	3.6
283.61768	0.4
283.99673	2.1
284.02905	0.7
299.01831	0.6
299.99051	1.9
300.99908	40.2
301.03540	100.0
302.00253	3.4
302.03903	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	300.9988
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
52.70803	0.3
54.91391	0.3
56.63905	0.3
69.15543	2.4
69.15958	1.3
74.85400	0.3
117.03505	0.5
129.03461	0.4
133.02907	0.5
145.02937	2.0
147.04503	0.4
157.02986	0.8
161.02409	0.7
163.04012	0.6
171.00934	0.3
173.02406	2.6
185.02473	2.4
189.01843	0.5
200.01056	0.7
201.01944	2.4
213.01988	0.5
214.08090	0.3
216.00586	0.4
217.01405	0.8
226.99916	0.9
228.00485	0.7
229.01379	4.2
244.00000	0.5
245.01016	1.8
257.00827	1.5
271.99738	0.4
283.99628	4.2
299.99115	3.1
300.99884	100.0
302.00208	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	301.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28777	0.4
59.01380	98.3
60.01704	1.1
61.82820	0.4
62.76288	0.4
66.51785	0.4
69.69655	2.4
94.31995	0.5
114.98886	0.8
115.02519	13.4
116.02569	0.4
116.98628	0.7
117.00459	7.1
118.00527	0.6
130.32085	0.4
156.99937	0.5
157.03596	2.1
159.01497	100.0
159.97406	0.6
160.01627	7.4
172.73508	0.4
185.46297	0.4
201.02551	22.8
202.02696	1.3
211.57675	0.4
217.00490	1.1
226.57555	0.5
241.00539	0.5
257.03751	0.5
259.01596	2.7
283.01617	0.9
301.02673	46.0
302.02826	8.2
302.34064	0.5
316.11743	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00337	0.5
51.76647	0.3
59.01381	2.6
68.01423	2.9
69.66800	1.4
71.01398	0.7
94.06646	0.3
95.05063	0.3
96.04553	0.4
97.06603	0.2
98.02452	0.3
98.19853	0.2
109.01687	0.2
113.97887	0.2
122.02489	0.9
123.03271	6.2
124.07665	1.0
136.07687	0.6
137.04805	1.4
138.05612	100.0
139.05972	3.1
140.07188	0.4
144.54968	0.3
152.03528	0.3
152.07169	1.9
155.70015	0.2
166.08749	0.5
167.05858	2.5
168.06641	0.6
180.06670	5.7
181.06966	0.4
210.07661	0.8
236.51575	0.3
277.24686	0.3
295.88211	0.3
299.99054	0.6
300.10873	12.4
300.99915	1.2
301.11157	1.1
306.29950	0.3
307.18909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.2
60.01713	0.6
68.01395	0.7
69.71137	1.1
71.01389	1.9
72.99297	0.4
83.01377	0.4
89.02438	1.7
90.02780	0.3
93.03461	2.3
94.03793	2.0
96.96008	0.6
98.19929	0.3
101.02422	0.7
107.01357	0.4
113.02446	0.7
119.03497	0.8
119.05029	0.5
120.03794	0.3
120.05346	0.7
122.02445	0.3
123.00894	0.6
123.03271	10.7
124.07675	0.3
125.02453	1.1
137.02446	2.5
137.04813	1.2
138.02805	2.6
138.05608	100.0
139.04013	0.5
139.05949	3.4
152.07202	0.6
165.04309	0.5
167.05856	0.8
168.00572	0.7
169.01408	1.7
180.06717	1.9
201.01988	0.3
211.02406	0.5
213.02240	1.0
229.01311	0.3
299.98993	1.2
300.10904	4.8
300.99927	6.1
301.05676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9991
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
51.88996	0.2
58.53743	0.2
59.01373	0.2
59.99425	0.2
65.00314	0.4
80.92257	0.3
93.03442	0.6
107.01373	0.5
113.12234	0.2
117.03464	0.7
124.01665	0.3
125.02521	0.3
129.03455	1.2
133.02988	0.5
141.03464	0.3
145.02954	3.1
147.04498	0.7
151.00371	1.3
152.01071	0.3
157.02968	1.6
161.02426	0.9
163.03998	0.7
173.02475	3.8
174.02850	0.3
178.99817	0.3
184.01746	0.3
185.02458	4.3
189.01874	1.2
199.00354	0.7
200.01108	1.1
201.01941	4.5
202.02260	0.3
206.99547	0.5
213.01860	0.6
216.00494	0.4
217.01401	1.4
226.99808	1.6
228.00650	1.0
229.01396	6.4
230.01677	0.4
240.00609	0.3
244.00082	0.8
245.00914	3.2
245.04553	0.8
254.99298	0.5
255.06476	0.3
255.99968	0.5
257.00894	1.9
257.03458	0.3
258.01279	0.3
273.00354	1.0
273.04056	1.0
283.99612	5.0
285.00034	0.6
299.99088	5.3
300.99884	100.0
302.00241	6.8
302.03699	0.4
312.53262	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1134
Annotation	Salidroside
Peak:m/z	Relative Intensity
55.01869	1.3
57.03427	1.4
58.00580	3.4
59.01379	100.0
69.50781	5.1
69.51186	2.1
71.01382	62.3
72.99313	7.0
73.02940	1.8
74.99094	2.5
75.00863	2.6
83.01379	3.1
85.02965	12.9
87.00854	4.0
89.02444	79.0
89.83364	1.2
90.02783	1.8
93.03454	8.3
95.01390	4.4
97.71130	1.0
98.19904	2.1
99.04530	1.7
101.02445	28.6
103.34622	1.2
104.61774	1.1
107.04991	1.2
113.01659	0.8
113.02440	24.2
119.03511	31.7
119.05004	21.0
125.02440	1.7
125.06116	1.4
131.03534	2.2
136.01591	1.2
137.02428	16.6
137.06044	4.3
138.01932	1.9
138.05598	4.5
142.89096	1.0
143.03462	3.7
149.04509	1.4
149.09706	1.3
153.02014	1.4
156.59015	1.2
161.04564	2.7
165.09138	1.1
169.01393	1.2
179.05556	2.6
181.06366	1.0
187.00377	2.0
193.08589	2.0
195.45058	1.1
214.99763	3.2
216.00577	1.6
237.07634	3.4
242.99333	2.9
255.08607	3.0
270.98831	9.3
282.98938	1.5
298.98544	6.6
299.07690	2.5
299.11298	5.6
299.14850	2.1
299.99109	17.8
300.11069	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	300.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59924	0.4
61.98832	8.9
63.02408	0.6
65.00334	1.4
83.01398	0.5
86.14629	0.5
93.03471	2.2
98.20661	1.5
107.01405	1.9
116.23306	0.5
117.03461	1.2
123.00854	0.7
124.01649	0.9
125.02487	1.3
126.91204	0.5
129.03493	1.1
135.04515	0.6
138.05620	2.5
140.01163	0.5
145.02991	2.7
151.00385	5.4
152.01172	0.7
153.01944	0.6
157.02937	1.9
161.02437	1.0
163.00427	0.7
163.03993	0.8
168.00598	1.2
173.02438	3.3
178.99893	0.6
185.02464	4.3
187.03999	0.5
189.01949	1.1
199.00409	0.9
200.01163	1.4
201.01984	4.0
206.99367	1.2
216.00568	0.6
217.01456	0.9
226.99870	1.3
228.00623	0.6
229.01471	4.6
229.05009	0.6
237.07730	3.3
244.00009	0.7
245.00912	1.9
245.04593	4.2
254.99423	0.5
255.02896	0.6
257.00961	2.2
257.04315	1.3
271.99377	0.8
272.02655	0.5
273.00720	0.9
273.04059	4.4
283.99615	5.9
285.03693	2.1
299.99121	9.5
300.02362	1.4
300.05988	1.4
300.99915	100.0
301.20096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1343
Annotation	Tehranolide
Peak:m/z	Relative Intensity
50.00349	0.4
50.27413	0.4
52.91322	0.3
53.50806	0.4
59.01372	1.4
68.01409	1.4
69.39727	2.6
69.46715	0.3
71.01363	0.6
72.99313	7.2
73.02985	0.5
75.00873	100.0
76.01219	0.7
80.58020	0.4
85.02956	0.9
97.02998	0.4
98.20580	0.9
107.01382	0.8
108.02151	0.7
122.03706	0.4
123.04518	1.1
125.02432	2.2
125.06084	0.5
134.06046	0.7
135.03229	0.6
135.04515	0.8
136.04051	7.7
137.04823	1.2
150.05580	0.7
151.00421	0.5
161.09700	1.5
165.04329	2.8
165.09177	0.5
168.00734	0.4
169.01443	2.3
170.05907	0.4
177.12753	0.3
178.05101	2.6
178.09888	0.7
179.10841	2.0
184.34349	0.4
191.07181	0.4
206.09499	3.2
207.09756	0.4
214.63998	0.4
221.11823	7.5
222.12108	0.7
287.23383	0.4
297.06418	2.9
297.13422	28.7
298.09296	9.8
298.13657	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	297.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00330	0.5
51.27872	0.3
57.03456	0.4
58.76885	0.3
59.01388	3.2
60.00275	0.3
68.01418	2.7
71.01381	0.8
71.50758	0.4
72.61416	0.3
72.99315	7.6
73.02939	0.4
75.00874	100.0
76.01211	0.9
85.02969	0.6
89.02442	0.9
92.46999	0.3
101.02425	0.6
108.02203	0.6
109.02934	0.6
113.02451	0.3
119.03492	0.3
120.04548	0.4
122.06124	0.8
123.04477	1.4
125.02451	0.8
134.06108	0.9
135.03264	1.3
135.04530	1.4
135.06609	0.4
136.04048	15.7
137.04822	1.6
150.05589	0.9
151.07642	0.3
161.09723	1.1
165.04308	4.4
165.05544	0.6
165.09177	0.9
169.01469	0.6
170.05856	0.7
177.12730	0.3
178.05106	5.3
178.10027	0.4
179.10822	2.4
203.10789	0.4
206.09445	3.2
209.08128	0.5
221.11836	7.3
222.12128	0.5
226.29126	0.3
239.47099	0.3
265.07150	0.6
297.13440	28.7
298.09323	15.6
298.13608	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
51.38683	0.6
52.09872	0.5
53.88578	0.5
55.25824	0.6
59.01382	4.3
71.01359	1.9
71.50046	1.0
79.95735	1.0
87.48786	0.6
93.70590	0.6
101.02428	0.6
119.04970	0.9
139.11290	0.7
141.12833	1.3
155.10771	13.5
156.11092	0.7
171.10213	0.9
182.99545	1.1
183.01199	21.5
184.01863	2.3
197.02794	1.1
216.00990	1.3
255.67065	0.6
279.23282	15.1
280.23532	1.6
297.15286	38.1
297.24326	100.0
298.15588	3.0
298.24655	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	299.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21981	0.8
56.98037	5.6
59.01374	2.3
69.63068	5.0
71.01388	3.3
74.98663	0.5
74.99092	28.3
85.02957	2.4
87.00863	2.4
93.03458	82.8
94.03812	2.0
101.02422	1.7
113.02436	3.0
116.37448	0.8
118.98061	1.2
125.02435	1.2
135.00912	0.9
137.02444	100.0
138.02776	4.0
147.03036	1.0
169.01436	1.3
179.03525	1.4
211.56563	0.8
237.04277	5.4
242.99217	1.4
270.98898	3.1
272.20114	1.0
281.03656	0.9
298.98325	2.1
299.04391	3.2
299.07605	1.4
310.39905	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07771	1.5
52.40637	1.4
57.03453	2.8
59.01379	10.7
65.00341	2.1
66.06612	1.9
67.01881	3.3
68.99814	6.8
69.03452	3.9
71.01395	7.9
72.99288	2.9
73.02940	6.1
75.00875	1.8
79.03242	1.8
81.03456	2.1
83.01381	3.3
84.85083	2.0
85.02953	3.8
89.02452	3.0
92.68157	1.6
93.03432	2.7
95.01380	9.3
95.05019	3.8
97.02950	10.7
97.06564	3.0
99.00874	9.6
101.02422	6.5
106.04224	3.4
107.05063	4.6
108.02171	7.2
109.02955	4.6
111.00872	5.9
111.08199	3.7
113.02438	3.9
116.44160	1.6
119.03480	2.2
121.02975	3.0
121.06593	2.8
122.03733	5.0
122.15284	1.6
123.00862	9.8
123.04537	3.6
123.08134	4.9
124.01665	5.4
125.02444	25.9
127.04028	2.0
133.10199	2.4
134.03728	2.3
135.04442	2.9
135.08157	3.1
136.13080	1.8
136.98793	3.6
137.02415	3.8
137.06094	4.1
137.09718	5.0
139.00392	8.8
139.07634	19.4
140.01181	8.9
147.08156	6.6
149.02406	2.6
149.06076	3.3
149.09700	10.9
150.03238	13.6
151.00339	4.4
151.07626	17.8
159.08125	2.4
161.02489	2.5
161.04561	2.3
162.03210	31.8
163.00380	2.5
163.03604	2.6
163.07637	6.2
165.09222	37.0
166.09554	2.9
167.07169	11.7
168.00630	10.7
169.01422	8.9
174.03313	2.7
175.07649	7.7
176.01180	3.1
177.05510	3.8
177.09196	20.1
177.66977	1.6
179.07092	11.8
180.07811	2.6
184.99681	1.7
190.02699	2.7
190.06274	5.9
191.07150	14.4
193.08691	40.4
194.08978	2.1
195.10168	3.3
203.07196	8.4
207.10327	2.2
217.06911	1.8
219.06609	46.0
220.07036	2.6
221.08173	64.8
222.08492	4.5
229.76563	2.1
235.09784	5.0
237.07689	61.6
237.09816	2.1
238.08014	3.9
239.09251	8.0
247.06111	7.0
253.10770	15.2
254.11172	1.8
265.07162	58.4
266.07587	5.1
280.90222	1.6
297.09766	100.0
297.24387	2.8
298.10056	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	295.2278
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03445	0.8
57.66986	0.5
58.84718	0.6
59.01364	1.8
65.14947	0.5
66.78252	0.6
69.65121	4.0
76.19957	0.6
98.95567	0.6
113.09735	1.1
125.09702	1.0
127.11292	0.6
171.10268	24.4
172.10579	0.7
179.14571	0.6
183.10237	2.3
194.19894	0.7
195.13901	9.2
211.46724	0.6
277.21719	36.5
278.22092	2.3
295.22775	100.0
296.23096	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	297.098
Annotation	Chakanoside I
Peak:m/z	Relative Intensity
55.01877	0.8
56.56951	0.5
59.01372	3.9
65.00330	1.0
67.01881	1.6
68.25780	0.5
68.99812	1.3
69.03442	0.9
69.44085	2.2
69.44496	0.7
71.01381	1.8
72.99294	1.1
78.43243	0.4
79.01886	0.6
82.00562	0.8
83.01385	1.9
84.02171	1.2
85.02939	0.5
87.00876	0.9
89.02444	1.2
90.70339	0.5
95.01381	1.1
95.05026	2.7
98.20601	0.8
101.02392	0.7
101.09586	0.4
107.01369	1.7
110.00080	1.7
111.00884	10.9
112.01167	0.5
113.02474	0.6
113.06069	1.5
123.00888	6.1
124.01659	4.7
125.02451	24.5
126.02757	0.6
127.00378	4.8
131.08905	0.5
136.98805	7.1
139.00366	11.4
140.01158	17.9
147.04417	0.5
150.55977	0.4
151.00371	5.2
153.01898	0.6
153.70525	0.4
154.99846	1.2
168.00639	20.5
169.01421	18.4
170.01830	0.8
183.02956	1.3
191.03520	2.7
203.07159	0.8
221.04555	1.4
221.08147	1.3
248.14529	0.4
265.07159	8.6
297.09781	100.0
298.10101	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	295.2276
Annotation	13(R)-HODE
Peak:m/z	Relative Intensity
57.03439	0.9
58.57883	0.4
59.01379	5.0
67.05269	0.4
68.93053	0.4
70.44878	0.4
71.01389	1.0
71.49637	0.7
86.66563	0.5
97.06594	0.4
99.08168	0.9
99.39891	0.4
100.30935	0.4
101.02463	0.5
103.23235	0.4
113.09744	2.2
119.01278	0.4
121.95498	0.4
123.88418	0.4
135.00832	0.5
142.15627	0.4
146.82469	0.4
147.18370	0.4
165.70703	0.4
177.12830	0.9
179.14369	1.6
183.13887	3.6
195.13892	28.1
196.14294	1.5
205.36407	0.4
206.99452	0.6
224.41380	0.4
251.23817	0.5
259.20615	0.5
273.71182	0.4
277.21707	25.9
278.22031	2.2
293.21213	0.7
295.22769	100.0
296.23120	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	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59792	0.5
55.01884	1.1
57.03442	1.8
58.00593	2.6
59.01377	70.2
60.01717	0.8
71.01382	35.8
71.05010	0.7
71.50614	0.8
72.19445	0.6
72.99302	2.6
73.02959	1.0
75.00874	9.9
83.01398	2.3
83.53708	0.5
85.02950	9.3
87.00882	1.6
87.04525	2.0
89.02441	44.1
89.74203	0.5
90.06697	0.5
95.01360	3.1
97.02960	1.3
99.00912	0.9
101.02441	25.3
113.02444	13.4
114.02814	0.6
115.00378	2.2
115.04015	6.6
119.03503	19.5
120.03862	0.8
120.99638	1.4
131.03485	1.8
132.17607	0.5
133.05069	8.4
138.48047	0.5
143.03532	2.0
149.04623	0.7
161.04546	1.3
179.05621	2.1
187.22710	0.5
207.03331	1.1
237.06122	5.3
238.06396	0.6
295.10321	100.0
296.10721	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	295.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47653	0.8
55.01862	1.2
58.00586	2.6
59.01378	93.8
69.73525	4.2
70.45671	0.7
71.01381	45.1
72.01710	1.3
72.99300	2.7
73.02935	1.8
83.01368	2.4
85.02945	9.9
87.00869	2.4
89.02443	55.2
90.02766	0.9
95.01375	4.6
99.00868	1.2
101.02440	30.8
113.01717	1.3
113.02448	16.9
115.04010	1.2
119.02655	1.9
119.03497	29.0
121.82986	1.0
125.02431	1.5
130.04263	0.9
131.03476	1.9
133.05048	2.0
143.03503	2.2
149.04503	1.5
161.04549	3.6
169.01492	1.1
179.05568	2.0
195.39728	0.8
266.04855	0.8
295.10327	100.0
296.10599	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	295.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31863	0.9
59.01385	100.0
60.01705	1.6
61.18133	0.9
65.53580	0.9
70.98905	2.2
71.01388	2.0
73.02959	0.9
85.02982	1.3
89.02428	1.4
101.02438	2.0
125.02454	2.9
161.04613	1.3
162.24821	0.8
162.96652	0.9
169.01402	2.6
235.11951	2.3
247.33858	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93951	1.3
57.03448	1.5
58.00575	2.0
59.01377	71.5
71.01007	2.7
71.01383	37.1
71.01778	1.9
72.99309	2.8
73.02954	3.3
75.00860	7.5
75.63171	1.2
77.98045	1.1
83.01380	2.8
85.02946	10.3
87.04509	3.5
89.02445	44.3
95.01400	3.2
97.62143	1.1
98.20643	3.4
99.00913	1.4
99.67718	1.3
101.02443	26.5
102.81988	1.4
105.21305	1.3
113.02448	16.2
115.04005	5.9
119.03513	19.6
120.99642	1.8
131.03510	1.3
132.51230	1.3
133.05077	13.0
143.03482	2.1
149.04684	1.6
161.04552	1.7
163.03975	1.7
176.44044	1.3
176.45741	1.3
179.05646	2.4
237.06061	3.4
295.10333	100.0
296.10617	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	295.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.7
58.00583	2.6
59.01379	77.7
64.18144	0.9
69.32299	2.2
69.32703	4.6
71.01383	38.2
71.05006	1.1
72.01733	0.9
72.99306	3.1
73.02932	2.7
75.00864	7.6
81.62568	0.9
83.01371	3.2
85.02943	10.4
87.00892	2.0
87.04501	1.7
89.02445	48.6
95.01382	2.9
98.19953	2.1
99.00860	1.1
101.02444	27.9
112.15628	0.9
113.02444	14.6
115.04003	6.7
119.03500	17.9
120.99654	1.2
133.05052	12.5
136.25421	0.8
143.03523	2.5
149.04553	1.3
161.04593	2.5
179.05669	2.1
196.89983	0.9
237.06125	4.3
271.81119	1.0
295.10342	100.0
296.10764	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	295.0825
Annotation	Dehypoxanthine futalosine
Peak:m/z	Relative Intensity
50.05446	3.9
50.35400	3.8
56.61444	3.9
58.44041	3.3
59.01388	27.9
66.91398	3.8
67.01881	4.6
69.03461	18.6
69.69516	3.5
70.02168	7.3
70.02565	7.8
71.01378	12.7
71.05023	28.8
73.02931	4.4
73.14099	3.6
77.89120	3.8
83.01385	5.8
87.00880	5.2
87.04517	31.3
93.03470	10.4
95.05042	6.5
96.96010	4.7
97.02962	8.1
99.04522	8.9
107.05008	20.8
109.06564	4.9
111.08228	4.0
115.04027	100.0
119.05019	29.2
121.02990	7.2
121.06593	14.2
123.04514	9.3
125.02422	8.0
130.04224	5.6
131.05034	10.6
132.05823	7.5
133.02933	7.0
133.06622	5.6
133.10239	15.5
134.03600	4.4
135.04561	9.5
135.08170	6.1
137.06099	27.4
143.08685	8.4
145.06587	4.8
147.08229	6.1
149.06107	22.7
149.09721	13.8
151.04005	7.8
151.07651	5.1
158.03687	6.0
159.04561	7.3
159.08170	15.2
160.05295	15.7
161.06062	10.6
161.07281	4.3
161.09741	72.3
162.10034	5.8
163.04007	30.6
163.07674	11.4
164.04832	8.9
165.05490	7.1
169.01433	13.5
171.08165	19.6
174.06842	11.7
175.07654	6.6
176.81284	3.6
177.05559	5.0
177.09233	33.5
179.07123	18.7
179.10768	10.6
187.07666	13.9
189.05577	11.9
189.09230	83.3
205.08699	30.2
207.06619	82.7
207.10121	5.6
215.07208	6.5
221.08189	8.7
223.09792	36.8
233.08211	40.7
251.09242	70.3
295.04974	6.5
295.08206	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.8
63.09595	1.0
69.03475	1.6
71.01373	1.4
84.38217	1.1
92.05627	1.2
94.31445	1.1
98.19865	2.5
98.84729	1.4
101.19238	1.1
109.06567	1.7
113.09677	1.5
135.07602	1.2
183.13910	28.5
192.11647	2.2
193.16002	1.6
195.13895	10.2
196.14461	1.8
203.60619	1.0
205.12259	2.5
211.13432	7.4
220.14658	1.6
221.15431	4.8
223.13390	8.9
236.10526	4.0
256.13171	1.9
265.21713	3.1
265.59116	1.2
275.20102	13.9
275.91464	1.1
276.20367	2.3
293.21243	100.0
294.21545	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	295.0096
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78772	0.8
59.01380	12.1
61.01786	1.0
65.03962	3.2
70.73916	2.0
71.01369	3.0
85.06600	1.3
89.02435	2.3
89.03970	1.2
91.05531	3.8
93.03466	2.3
101.02460	2.4
107.05048	4.8
110.02461	1.1
113.02460	1.1
117.03482	7.9
119.05031	7.0
123.00917	2.1
123.04539	1.1
123.71972	0.9
125.02457	3.2
131.07114	3.7
132.07484	1.7
133.02945	3.1
133.06651	1.3
133.07614	2.0
135.04527	67.3
136.04868	2.1
137.02383	1.5
145.02959	17.7
148.01642	2.4
148.07245	1.0
151.00351	1.7
151.03989	2.9
161.02464	4.3
161.06105	6.0
163.04008	100.0
164.04404	4.7
169.01378	1.1
177.01938	1.5
179.03497	49.5
180.03758	1.8
189.01929	2.7
192.00644	4.6
194.99323	11.0
195.99542	1.0
205.96881	0.9
207.02986	66.6
208.03311	4.2
233.00920	2.0
251.01956	23.6
252.02200	1.8
263.01929	1.7
276.99753	1.6
277.03461	0.8
294.12625	1.5
295.00940	56.9
295.12891	7.4
296.01273	2.9
300.50937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11451	0.7
57.03445	2.4
59.01371	4.4
59.10576	0.6
60.20364	0.7
62.52690	0.7
71.01370	2.3
71.05016	6.6
71.48632	0.7
74.83166	0.8
83.05006	0.8
85.06564	0.9
87.04530	1.0
89.02437	0.9
96.95997	1.3
97.06618	0.9
98.20771	1.5
99.32930	0.7
113.09716	2.5
116.90387	0.7
136.08920	1.4
146.10217	0.9
169.14702	0.9
177.16591	0.7
177.97139	0.7
191.18028	0.8
191.73769	0.7
193.15993	2.1
195.77876	0.9
209.15413	2.1
211.01009	1.2
220.14629	2.0
221.15440	6.1
222.15857	0.9
223.17006	5.7
231.21114	3.0
235.17020	41.6
236.10582	3.6
236.17346	3.3
249.18434	1.0
249.22467	0.9
275.20148	41.7
276.20410	3.3
291.07239	1.0
293.08896	38.6
293.21207	100.0
294.09067	4.3
294.21564	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.2
59.01375	2.6
70.25109	0.8
70.25464	2.3
81.03415	0.7
83.82198	0.8
101.36034	0.7
103.86861	0.7
109.06561	1.1
113.09728	20.1
121.10232	2.7
139.11240	1.8
149.09781	1.1
152.06876	0.7
167.10735	2.0
167.96812	0.7
171.10225	5.1
174.86484	0.8
179.10725	2.4
195.13901	2.6
221.15396	1.0
236.10435	1.2
249.22258	1.8
251.68561	0.8
275.20120	9.1
276.20300	0.9
293.21222	100.0
294.21564	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	1.3
59.01369	3.0
59.85691	1.2
70.24673	1.4
70.25023	4.0
80.78696	1.3
81.76653	1.2
95.49885	1.4
121.10235	47.6
121.60794	1.2
122.10557	1.7
125.09756	1.5
134.07166	1.3
143.58551	1.2
171.10266	84.8
172.10612	4.1
176.14835	1.3
183.13843	3.1
185.11819	5.9
211.25345	1.3
217.54654	1.2
221.15405	2.3
231.21109	5.0
275.20151	100.0
276.20499	11.9
283.23776	1.5
293.21198	68.5
294.21494	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61569	0.7
57.03448	1.5
58.64265	0.7
59.01382	0.9
69.03486	1.0
70.98454	1.9
79.24024	0.7
85.99048	0.9
106.07478	0.8
113.09750	1.1
142.76448	0.9
145.02878	0.8
167.10818	1.7
179.10796	1.0
179.14410	1.4
188.36604	0.7
195.13895	17.4
196.14494	2.0
205.12259	1.4
211.13388	1.2
223.13379	15.6
223.38214	0.8
224.13824	1.7
228.13649	1.7
247.89763	0.8
256.13217	5.4
275.20132	9.5
276.20285	0.9
293.21228	100.0
294.21545	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	293.1031
Annotation	Coriarin
Peak:m/z	Relative Intensity
54.19152	0.4
55.01867	0.5
59.01371	1.2
65.00320	1.8
67.01879	1.8
68.99809	2.1
71.01382	2.3
72.99300	1.4
78.01149	0.6
82.00574	0.9
83.01395	3.0
84.99335	0.4
86.00079	0.7
87.00861	1.1
95.01373	1.1
96.99307	0.8
98.19871	1.0
99.00910	1.0
106.00603	1.0
110.00072	2.6
111.00882	18.3
112.98829	0.5
123.00887	2.6
124.01641	7.4
124.98785	0.7
125.01525	1.0
125.02448	19.1
127.00362	6.6
136.98814	12.0
138.03276	0.9
139.00377	18.8
140.01163	30.8
151.00330	0.6
154.99809	2.4
168.00639	42.5
169.01421	22.3
170.01779	0.6
180.04265	3.3
205.01437	0.5
206.43956	0.5
249.00494	0.6
249.11272	0.5
249.22253	0.5
293.10318	100.0
294.10706	6.6
305.89346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
57.03447	0.8
58.00584	1.6
59.01379	50.0
70.93990	1.2
71.01383	25.3
72.99303	2.4
73.02930	1.7
83.01402	1.6
84.38139	0.7
85.02942	4.4
85.06589	14.6
87.00865	1.6
89.02444	24.6
95.01374	1.6
100.00401	2.4
101.02441	15.9
113.02444	8.0
113.06091	9.4
115.07647	1.8
119.03516	9.8
127.07652	2.1
131.03467	1.1
131.07143	59.4
132.07460	2.0
144.03035	1.1
148.06310	2.5
173.08116	2.1
175.58861	0.8
179.05580	1.7
249.02913	1.9
277.55539	0.8
293.12418	100.0
294.12787	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	293.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37875	0.6
70.38230	0.6
71.01385	7.4
80.43053	0.3
103.79937	0.3
127.07666	0.9
145.71283	0.3
147.08389	0.3
148.05280	1.3
151.07635	0.6
164.08429	1.4
177.09190	5.4
178.09535	0.3
190.10001	0.4
192.11559	7.1
193.12009	0.6
205.12329	7.3
207.13899	1.3
217.08731	0.5
218.09424	2.2
220.14676	48.2
221.15450	100.0
222.15767	6.6
235.13358	0.9
236.10529	72.0
237.10904	4.6
245.23816	0.3
280.16632	0.3
293.17630	6.9
293.21011	0.9
294.17911	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0667
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
50.38717	0.6
50.44848	0.8
59.01381	2.0
65.00298	0.8
68.58401	0.7
68.99791	0.7
69.33871	3.6
69.34293	2.6
71.01376	1.6
73.15169	0.7
80.14298	0.7
80.56364	0.7
85.02978	1.0
89.02447	1.3
93.03450	2.0
93.07083	1.2
95.01379	2.3
101.02473	0.8
113.02399	0.9
113.77691	0.9
115.05546	1.8
117.07104	45.5
118.07439	2.1
119.05060	2.3
123.00874	2.9
127.05540	5.5
130.04285	1.4
133.02931	0.8
133.06612	1.2
143.05045	5.3
145.02916	0.8
145.06586	3.3
146.03735	2.6
147.04512	1.1
161.02397	1.0
161.06065	2.1
162.03191	1.7
163.00366	1.7
168.00685	1.0
171.04558	6.8
172.05301	1.8
173.06056	3.4
174.03212	17.3
175.03999	5.3
177.01913	2.0
183.02988	6.7
188.04913	1.0
189.05568	100.0
190.02756	2.2
190.05959	6.6
191.07135	1.5
203.03503	5.7
205.01381	1.4
217.05046	57.5
218.05695	9.1
219.06624	3.7
221.00970	1.4
249.04134	2.2
249.07648	28.9
250.08034	2.5
264.96088	1.1
292.52646	0.9
293.03287	2.0
293.06653	34.1
293.09897	1.2
294.06909	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	292.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37908	1.9
54.43497	1.5
54.51709	1.7
55.01874	3.2
58.78868	1.7
59.01384	4.6
60.99313	8.2
64.32944	1.8
67.48014	2.2
68.99828	2.1
71.05012	6.3
71.51711	2.1
79.05522	1.6
94.06618	3.2
97.06586	2.1
119.07365	2.9
120.08203	2.7
121.02869	2.1
134.09760	97.1
135.10103	4.0
146.09790	3.8
148.11305	7.1
160.07672	4.4
161.08466	2.7
171.10518	3.1
172.85051	2.0
174.09198	3.7
174.12898	12.7
175.09984	1.8
184.11258	3.1
186.12881	61.4
187.13194	3.9
188.10501	2.1
189.11592	23.7
190.12360	19.6
204.13928	91.4
205.14252	4.6
212.14459	10.5
230.15492	100.0
231.15820	5.4
248.02800	7.1
248.12906	50.3
248.16580	7.2
249.13193	3.0
292.15573	9.6
292.19885	2.3
293.21011	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03041	0.6
57.03435	0.8
58.02980	0.8
59.01367	2.4
59.14480	0.6
70.41356	0.7
70.57841	0.6
71.01370	1.2
77.62440	0.6
92.07204	0.8
118.45491	0.6
125.09751	1.0
135.50583	0.6
156.13942	100.0
157.14296	4.3
176.98315	0.8
177.01970	0.6
185.11870	1.9
192.11490	0.7
200.12939	4.9
220.14740	4.0
221.15457	7.8
236.10606	5.2
248.02791	1.8
292.19971	8.8
293.09204	0.7
293.17734	1.9
293.21185	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	292.1918
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
54.03041	0.6
57.03435	0.8
58.02980	0.8
59.01367	2.4
59.14480	0.6
70.41356	0.7
70.57841	0.6
71.01370	1.2
77.62440	0.6
92.07204	0.8
118.45491	0.6
125.09751	1.0
135.50583	0.6
156.13942	100.0
157.14296	4.3
176.98315	0.8
177.01970	0.6
185.11870	1.9
192.11490	0.7
200.12939	4.9
220.14740	4.0
221.15457	7.8
236.10606	5.2
248.02791	1.8
292.19971	8.8
293.09204	0.7
293.17734	1.9
293.21185	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	293.0667
Annotation	Cyclic dehypoxanthine futalosine
Peak:m/z	Relative Intensity
56.03254	1.2
59.01382	3.4
68.99812	4.5
71.01378	3.8
71.52301	2.1
73.02962	1.2
80.33501	1.1
80.76479	1.2
85.02924	1.4
89.02448	2.2
93.03451	1.4
95.01411	1.7
96.96017	2.7
101.02444	1.6
105.03324	1.0
105.07111	1.7
109.02975	1.4
109.46390	1.3
115.05529	1.8
117.03462	3.7
117.07160	1.8
119.05022	4.6
121.02986	1.5
121.06602	9.2
123.00844	1.3
129.07117	2.8
130.04242	9.2
131.07193	1.3
132.02155	4.4
133.02942	5.5
133.06567	5.3
137.02434	4.6
143.05035	7.1
145.02975	2.5
145.06590	34.5
145.35643	1.4
146.03728	4.9
146.06960	2.0
147.04483	2.6
149.02467	3.3
149.06061	5.5
150.81778	1.2
158.03734	7.2
160.01651	20.6
161.02452	15.7
161.04672	1.7
161.06068	9.4
162.03128	1.6
163.00287	1.7
163.04016	2.1
171.04507	4.9
173.02422	5.0
173.06068	21.3
174.03214	29.5
174.06351	1.4
175.03946	6.0
177.01932	11.2
182.02222	1.5
183.02956	4.8
187.04063	1.7
188.01181	3.2
189.01968	26.1
189.05562	62.6
190.02692	2.3
190.05890	3.9
199.04007	3.9
202.02635	1.6
205.01425	22.7
205.05038	1.3
206.02191	10.8
217.05048	52.6
218.05371	3.0
220.03773	8.7
221.00923	1.5
221.08131	2.8
233.04373	1.3
234.05232	1.2
244.22971	1.2
249.00508	1.6
249.07661	47.4
250.07819	2.0
253.94955	1.1
264.96295	1.4
293.06668	100.0
293.13660	2.6
293.17532	2.1
293.21094	1.9
294.07022	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	291.1965
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
53.76214	0.5
65.38681	0.4
66.72239	0.5
70.92198	1.2
73.02945	64.3
74.03289	1.1
79.95736	0.5
84.22506	0.4
97.47021	0.5
121.52155	0.4
147.00865	0.6
191.03520	0.6
219.02924	0.5
247.02469	6.4
248.02875	0.7
263.20148	0.7
284.31952	0.5
291.01474	0.9
291.19650	100.0
292.19955	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
71.50146	0.4
99.17099	0.3
108.02171	2.3
111.08169	0.3
119.05089	0.3
121.02938	0.9
122.03741	24.8
123.00867	0.5
123.04086	0.8
124.01659	1.4
135.04523	6.5
136.01672	4.6
147.00920	0.3
149.06070	0.8
151.04015	0.3
165.12888	0.4
175.03970	0.4
177.09235	1.1
190.02808	0.3
191.03427	0.8
191.10753	1.4
205.12236	0.3
216.45734	0.3
218.99280	0.3
219.02924	0.4
233.15488	0.5
247.02458	4.4
247.20668	0.5
248.02771	0.8
261.18604	4.6
262.18930	0.4
263.16519	1.0
263.19803	0.4
273.00314	0.4
273.18591	8.5
274.18958	0.4
289.18082	3.8
290.18509	0.4
291.19644	100.0
292.19989	8.8
309.69821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.233
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
57.94542	0.3
59.40532	0.3
61.98811	0.9
69.21439	2.7
98.19918	0.5
99.60845	0.3
122.03738	25.7
123.00858	0.4
123.04012	0.7
124.01659	1.0
135.04543	1.0
136.01649	3.6
147.00906	0.5
176.03726	0.3
202.99864	0.3
218.99252	0.4
247.02466	2.4
259.50839	0.3
261.11594	0.3
289.31799	0.3
290.97867	0.6
291.23288	100.0
292.23657	10.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
57.03458	1.3
58.55328	0.7
65.03973	0.5
69.97906	2.3
71.01425	0.7
83.05038	0.9
88.64045	0.5
93.07096	1.4
96.84216	0.5
97.06583	1.8
111.08184	1.1
121.10239	13.0
122.10592	0.7
123.08178	1.4
125.09734	7.0
141.12856	1.0
147.08118	0.6
147.74283	0.5
165.12831	0.8
171.10271	1.0
180.07825	0.7
182.92235	0.6
185.11835	13.7
197.11845	3.2
209.11877	1.9
211.13350	1.4
247.02458	3.0
247.20721	1.5
257.39639	0.5
263.19986	0.6
273.18652	2.4
291.19675	100.0
292.20013	9.1
311.29657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31293	0.4
59.01368	0.4
64.35194	0.4
70.62511	1.0
94.55241	0.4
119.05088	0.6
125.06032	0.6
148.08899	1.2
150.10542	1.0
151.11351	0.8
163.04126	0.4
163.11261	1.3
165.12842	21.9
166.13173	1.3
173.02293	0.5
175.11284	0.7
175.90863	0.4
177.12927	0.5
191.14363	0.7
201.70158	0.4
217.15953	0.5
240.68666	0.4
247.02458	4.1
247.20706	11.6
248.21088	0.9
248.84038	0.4
267.32846	0.4
273.18637	6.7
291.19656	100.0
292.19992	9.3
300.50085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.2
59.01384	2.4
71.05015	1.8
83.05029	0.8
95.05048	1.2
97.06531	0.6
98.20659	1.1
109.06611	0.5
111.08163	13.9
137.09715	0.9
167.10780	1.7
174.70007	0.5
177.12813	2.9
179.10725	1.8
195.13911	8.0
247.02481	2.5
247.20679	2.7
273.18481	2.2
291.19647	100.0
292.20016	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	291.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02480	0.3
69.33472	1.2
69.33899	1.5
79.18816	0.3
93.03441	0.3
97.75848	0.4
103.05546	0.4
105.03440	0.6
107.05021	0.4
117.03485	0.8
119.05033	2.7
129.03448	0.4
131.05017	0.6
133.02966	0.5
133.21571	0.3
135.04488	1.1
145.02982	3.6
146.04594	0.3
147.04507	4.6
159.04553	0.5
161.02451	0.6
163.04015	3.3
173.02444	4.3
174.03198	0.4
175.03995	4.2
176.01175	0.4
177.01910	0.5
189.01897	0.5
190.02713	3.2
191.03491	16.3
192.00743	0.4
192.03806	1.0
193.01341	0.4
201.01912	1.2
203.03500	2.5
205.01357	0.7
218.02226	0.8
219.02980	6.1
229.01466	0.4
232.03726	0.4
246.01660	0.5
247.02458	100.0
248.02826	7.2
259.61374	0.4
283.28180	0.3
291.01474	9.4
291.05093	4.4
292.01886	0.6
292.05228	0.5
297.60696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0146
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
59.01363	0.6
63.41603	0.5
65.00345	0.5
71.01348	0.5
71.50346	0.7
71.50732	0.5
73.02939	0.6
73.76425	0.4
78.95910	3.8
79.56801	0.5
85.02920	0.5
95.01366	0.8
105.03419	0.6
110.98502	2.6
117.03449	1.2
119.05011	2.0
121.02945	0.6
123.00866	1.3
125.02459	0.8
130.04245	0.5
133.02966	1.2
135.04509	1.5
137.02406	0.7
145.02954	5.6
147.04521	2.8
149.02469	1.2
157.02960	0.7
159.04483	0.5
161.02440	2.7
163.03987	2.2
165.01874	0.5
173.02429	5.8
174.03078	0.6
175.04039	3.1
176.01045	0.6
177.01894	6.9
178.02234	0.5
189.01920	4.3
190.02655	1.9
191.03503	8.9
193.01408	0.9
201.01935	4.7
202.99924	0.7
203.03506	1.6
204.00748	0.6
205.01451	3.9
206.02237	0.8
207.03072	3.6
217.01421	14.9
217.03537	0.9
218.01974	1.0
218.99516	0.7
219.02985	9.2
229.01343	3.3
232.00050	0.5
235.02655	2.4
245.00897	24.2
246.01254	1.4
247.02473	9.3
248.02786	0.6
263.01944	3.4
273.00427	9.5
274.00955	1.9
291.01465	100.0
292.01776	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	291.0148
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
62.38562	0.2
70.20344	1.0
88.34782	0.3
90.17253	0.3
102.08346	0.3
103.05576	0.3
105.41684	0.3
117.03418	0.4
119.05035	1.7
121.02943	0.4
129.03442	0.5
133.02953	0.6
135.04515	1.2
145.02954	3.5
147.04530	3.9
148.04845	0.3
157.67171	0.3
159.04527	0.3
161.02383	0.7
163.04027	3.2
164.04425	0.3
173.02425	4.4
174.03102	0.9
175.04044	2.4
176.01125	0.5
177.01849	0.4
189.01920	0.4
190.02727	3.7
191.03514	15.2
192.00667	0.5
192.03828	1.2
201.01903	0.8
203.03445	1.1
205.01332	0.7
217.01572	0.3
218.02165	0.7
219.02985	6.0
220.03110	0.3
229.01437	0.5
246.01685	0.4
247.02481	100.0
248.02841	3.9
291.01511	9.7
291.05069	0.9
292.02002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.1
60.72240	1.0
71.14705	1.6
81.03463	7.3
83.01393	6.4
93.03441	3.8
94.32323	1.1
94.85964	0.8
95.01400	1.4
95.05035	8.1
97.02950	13.7
99.04574	1.0
107.04989	1.0
108.02160	2.2
109.02953	49.9
110.03246	1.6
111.04502	1.0
121.02945	7.5
122.03711	2.6
123.04528	34.5
124.04893	1.3
125.01529	1.4
125.02447	28.2
126.02701	0.8
133.02953	1.2
135.04514	3.5
137.02448	17.0
137.58005	0.8
138.03262	0.9
139.04041	6.6
145.02954	2.8
146.03732	3.3
147.04488	1.3
149.02425	8.4
150.03175	2.8
151.04015	16.3
159.04523	6.0
160.05278	3.8
161.02438	2.9
161.06062	7.7
162.03151	2.5
163.04007	2.0
164.01154	4.9
165.01907	6.2
167.03511	4.2
173.02550	1.1
173.06020	2.5
174.03236	1.4
175.03992	3.4
175.07700	4.0
177.05617	1.5
179.03468	11.9
185.06059	1.8
187.03973	8.5
188.04774	6.8
201.05598	1.6
201.09500	1.9
202.06316	4.0
203.07127	20.6
204.07466	1.5
205.05042	15.8
206.05457	1.3
212.04794	1.5
217.01402	1.3
217.08655	1.2
221.08124	6.8
227.07127	3.8
231.02989	1.3
245.00874	1.2
245.08165	39.1
245.10693	2.0
246.08414	1.7
247.06010	1.7
253.70396	1.0
271.06134	2.0
289.07172	100.0
290.07684	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	291.0149
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
52.94333	0.5
53.19365	0.4
54.05996	0.5
59.01374	1.4
62.80584	0.5
64.67863	0.5
65.00343	1.1
67.01929	0.6
71.01388	1.5
72.84756	0.5
73.02927	0.7
78.95901	0.9
85.02917	1.0
87.93307	0.5
89.02480	0.5
91.05528	0.5
93.03458	0.5
95.01391	2.1
105.03492	0.5
107.05033	1.3
109.02942	0.7
109.04096	0.6
110.98538	1.1
111.00900	0.7
113.02477	0.7
117.03448	2.6
119.01320	0.7
119.05041	3.5
120.99336	1.6
121.02974	1.4
123.00867	3.6
125.02451	2.1
128.01164	0.7
129.03464	0.6
131.05063	0.9
132.02197	0.5
133.02928	2.3
135.04500	3.2
139.00348	0.8
142.46950	0.5
145.02959	9.1
147.00850	1.0
147.04532	4.5
148.01736	0.8
149.02414	2.0
157.02916	0.8
159.04601	0.7
161.02406	3.2
163.00356	0.9
163.04010	4.8
166.99864	1.2
169.01410	1.7
173.02422	8.2
174.03122	1.1
175.00345	1.2
175.03961	4.8
176.01108	0.9
177.01935	7.4
189.01920	4.2
190.02669	2.9
191.03510	17.7
192.00648	1.1
192.03851	1.0
198.91479	0.5
201.01929	8.1
202.02362	0.7
202.99893	0.5
203.03467	2.5
204.00668	0.6
205.01395	4.8
207.03067	3.9
217.01427	13.5
218.01952	1.6
218.99356	2.0
219.02966	16.9
220.03346	1.2
229.01413	7.0
230.01906	0.7
235.02591	2.5
245.00911	24.6
246.01375	1.8
247.02461	26.3
248.02740	1.5
253.57367	0.5
261.00507	0.6
262.01337	0.6
263.01978	11.5
264.02182	0.5
273.00397	11.8
274.00906	1.4
291.01456	100.0
292.01773	6.4
311.50879	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1653
Annotation	Psoracorylifol A
Peak:m/z	Relative Intensity
67.39499	0.3
69.03453	1.5
70.54186	0.3
81.03447	0.5
98.20736	0.7
108.02176	4.2
109.02961	0.4
121.02979	0.9
122.03742	36.2
123.00864	1.0
123.04485	2.7
124.01654	3.5
135.04524	19.2
136.01666	10.4
136.05251	0.7
148.05293	1.8
149.06120	1.9
165.08992	0.4
177.09169	0.4
199.89627	0.4
205.12144	0.4
212.97368	0.3
217.12465	0.5
231.13925	4.3
243.13826	1.9
259.17023	22.8
260.17313	2.3
269.15485	11.2
270.15793	1.0
275.86700	0.3
287.16534	100.0
288.16849	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	288.1604
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01383	0.4
67.01880	0.5
81.03468	1.8
92.05052	1.1
93.03448	2.2
95.76315	0.4
107.03781	0.5
108.02161	0.9
108.04557	5.2
109.02944	6.3
114.16124	0.4
121.02943	0.6
124.01662	0.5
134.02481	37.1
135.03282	10.9
136.04047	39.1
137.02464	1.9
137.04372	1.4
148.04031	1.1
149.04855	1.0
164.03365	0.5
170.40367	0.4
176.03537	4.6
177.04346	0.9
190.05074	0.5
204.06694	0.4
255.53070	0.3
288.16049	100.0
288.99713	0.4
289.16266	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	287.09
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36961	0.7
69.03124	0.7
69.03462	2.9
69.57575	2.3
69.58016	2.0
79.01912	1.6
81.03479	1.1
83.01398	2.3
84.00919	1.0
84.79650	0.6
95.01429	0.7
97.02958	3.1
98.20741	0.7
107.01382	1.2
108.02180	2.0
123.00903	1.1
124.01640	0.7
125.02455	100.0
126.02814	2.6
135.03015	0.9
139.05136	9.8
140.03358	0.6
152.01147	0.9
154.01720	0.7
163.08641	0.6
167.04639	17.3
167.06001	1.3
287.08978	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	287.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45815	0.8
54.25778	0.9
61.37752	0.9
65.03970	9.6
67.01888	4.6
69.82904	4.5
83.01409	0.8
91.01894	12.1
93.03474	4.6
95.01377	1.1
98.20665	1.3
99.00897	1.3
108.02141	1.4
109.02959	100.0
110.03288	2.8
121.02955	8.1
122.03770	1.2
123.00854	8.0
123.04533	19.7
124.01665	1.3
125.02412	0.9
132.02168	2.9
135.00890	28.3
137.02446	14.8
139.04024	7.5
149.02446	29.2
150.03165	1.9
151.02895	1.1
151.04028	15.1
153.01920	9.3
153.05560	1.3
160.01657	5.8
163.00375	42.8
164.00601	1.1
165.01945	6.3
177.01920	2.1
196.05206	1.7
197.06059	2.7
201.05515	3.1
224.04790	3.5
225.05573	14.9
227.03485	1.9
241.05055	2.7
243.06520	2.0
259.06116	28.7
260.06451	2.1
269.04553	45.9
270.04794	3.8
286.98502	1.3
287.05637	25.4
288.05920	1.1
296.21600	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	287.0561
Annotation	Monodictyphenone
Peak:m/z	Relative Intensity
50.95246	0.8
55.74869	0.9
59.13182	0.8
65.03957	10.4
66.49680	0.6
67.01894	3.5
69.38943	2.6
69.39355	2.7
73.40479	0.8
91.01892	14.2
93.03449	4.4
95.01373	1.8
108.02170	1.9
109.02951	100.0
110.03300	2.9
120.20096	1.0
121.02946	8.5
123.00868	6.0
123.04528	19.9
125.02460	2.0
132.02180	3.3
135.00883	34.6
137.02449	17.1
139.03998	8.0
149.02437	29.3
150.03186	2.4
151.03998	13.2
153.01947	6.1
160.01672	5.6
163.00368	43.0
164.00720	1.3
165.01953	7.9
169.06534	1.0
177.01964	2.2
196.05334	2.2
197.06052	2.1
201.05547	3.4
213.05579	0.8
224.04761	3.8
225.05551	14.4
227.03574	1.3
227.33820	0.8
241.05032	3.0
243.06590	2.5
259.06094	29.6
260.06311	1.8
264.31000	0.9
269.04538	45.6
270.04825	3.0
287.05606	26.8
288.05920	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	287.0562
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
57.03450	14.2
60.04543	0.5
63.02404	4.4
65.00330	8.1
69.38046	0.6
81.03455	4.0
82.64602	0.5
83.01388	13.2
93.03460	2.8
95.01405	1.5
95.90672	0.5
97.93497	0.5
98.20702	0.9
99.72124	0.5
107.01395	5.9
107.05027	0.8
108.02220	0.6
109.02945	3.1
111.00895	1.4
117.03477	1.0
121.02946	1.0
121.94842	0.6
123.00921	0.8
123.04537	2.3
124.01663	2.9
125.02448	100.0
126.02789	2.2
130.04324	0.8
131.05063	2.0
133.02928	3.6
134.03732	1.6
135.04518	2.8
141.88518	0.6
145.02939	1.0
149.06039	1.0
151.00365	12.3
152.01149	10.0
153.01924	3.2
155.07117	0.6
156.05843	1.2
157.06581	2.4
158.03764	1.0
159.04523	1.9
165.01862	1.2
172.05293	2.2
173.06078	6.2
175.04056	1.2
175.07663	0.8
177.05566	16.3
178.99855	6.5
187.07545	0.7
197.06061	1.5
198.51886	0.6
199.07671	2.4
201.05577	9.6
203.03532	1.7
213.05608	1.3
215.07112	6.3
219.06602	1.9
225.05466	0.8
229.08415	0.7
241.05066	2.3
243.06595	14.2
244.06982	1.0
259.06097	78.3
260.06381	5.0
269.04510	3.4
287.05612	47.7
288.05804	3.4
294.52896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0558
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.03424	0.4
59.01352	0.5
59.36078	0.3
63.02395	2.6
65.00322	11.1
69.30758	1.9
69.31168	0.6
81.05002	0.3
83.01387	5.9
104.37357	0.3
107.01389	16.8
107.05003	0.7
109.02957	2.7
121.02937	0.4
125.02441	4.9
128.08829	0.3
133.02975	1.2
134.03821	1.7
135.04523	100.0
136.04857	4.2
150.02841	0.3
151.00363	84.3
152.00703	3.1
153.00821	0.3
159.00946	0.4
161.02470	0.9
165.01993	0.4
169.01468	1.2
177.01900	0.4
187.00328	0.4
199.04176	0.3
208.53676	0.3
214.99957	0.4
230.99397	0.6
242.99387	0.4
258.98969	0.4
269.04657	0.7
286.98657	0.9
287.05502	13.0
288.06018	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
52.03944	0.5
54.13945	0.4
57.79556	0.5
59.01394	0.6
70.02988	1.2
74.06110	1.6
98.19846	1.1
100.61836	0.5
117.07114	0.7
118.05083	0.9
240.23338	3.9
242.21178	1.7
268.22806	1.4
286.04266	1.3
286.23865	100.0
286.98306	1.9
287.01797	1.0
287.16449	0.8
287.24271	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	287.056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	18.8
59.01350	2.5
63.02374	2.4
65.00320	6.9
71.51795	1.3
73.02971	0.8
79.95695	1.1
81.03458	4.3
83.01392	10.9
83.05009	1.4
85.02938	2.1
86.99075	1.7
93.03431	2.5
95.01336	1.2
97.06535	0.9
107.01390	5.1
107.05030	1.0
108.02210	1.1
109.02934	3.4
109.06571	1.1
111.00896	1.1
117.03474	0.9
119.04998	1.1
123.04482	1.7
124.01694	3.9
125.02447	100.0
126.02756	2.1
127.05098	2.9
130.04187	1.7
131.04990	3.5
133.02916	3.2
134.03752	1.0
135.04504	1.7
137.02374	0.9
138.32578	0.8
149.06073	1.2
150.99358	1.0
151.00380	10.9
152.01144	9.8
153.01862	2.4
154.46355	0.8
156.05765	0.9
157.06537	2.3
158.03580	1.1
159.04492	1.7
160.00725	7.7
166.02644	0.9
167.08180	1.5
169.01361	1.2
171.04385	1.2
172.05235	2.5
173.06033	5.0
175.03914	1.1
177.05548	13.5
178.99878	7.8
179.04559	1.0
183.98235	1.0
184.01974	1.5
199.04222	2.1
199.07544	2.8
201.05571	9.2
203.03333	1.4
214.06345	1.0
215.04652	1.2
215.07037	4.7
219.06686	1.1
225.05539	1.0
228.08102	0.9
241.04987	2.8
243.06604	12.8
244.06935	1.2
254.07718	2.2
259.06094	69.3
259.93253	0.9
260.06454	4.8
269.04272	2.2
287.05557	42.8
287.10434	2.3
287.14835	4.9
288.05975	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	285.0615
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
50.49934	0.5
51.88777	0.5
71.07547	1.1
81.03464	0.6
108.02172	100.0
109.02990	19.0
110.03240	0.7
116.65257	0.5
121.02969	0.7
123.04520	0.9
133.03008	0.8
135.00879	0.9
137.76013	0.6
138.08830	0.4
146.24496	0.5
151.04018	1.5
152.01151	67.4
153.01944	38.3
154.02277	1.0
163.04074	1.1
165.01938	1.5
285.06146	68.0
286.06503	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	285.0618
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
61.89660	0.3
70.78389	0.8
81.03480	0.9
85.02961	0.5
93.03450	0.6
108.02182	100.0
109.03003	14.6
109.46612	0.4
121.03001	0.8
123.04486	0.8
133.02939	0.6
135.04543	0.5
151.04005	1.4
152.01164	63.7
153.01956	30.4
154.02280	0.7
163.04037	1.0
165.01903	1.0
188.31413	0.4
195.80719	0.4
233.20439	0.4
285.06171	57.1
286.06503	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	285.098
Annotation	Isohomoarbutin
Peak:m/z	Relative Intensity
55.01887	0.7
57.03469	0.4
58.00580	0.3
59.01379	5.4
59.01658	0.5
59.33822	0.2
68.79562	0.3
69.67063	1.6
71.01375	4.0
72.56295	0.3
72.99315	0.3
73.02937	1.7
83.01398	1.1
85.02489	0.4
85.02945	2.0
89.02456	0.9
93.03459	13.5
94.03790	0.4
95.01380	0.4
95.05013	0.4
98.20649	0.4
99.00899	0.6
101.02435	3.8
105.03451	1.0
107.05040	0.5
108.02167	1.3
109.02961	0.5
113.02444	1.4
119.05056	0.4
121.02958	37.0
122.03293	1.0
123.04523	100.0
124.04845	3.0
133.44217	0.3
152.01126	0.7
153.01942	0.5
161.04530	0.4
164.26639	0.3
181.48988	0.2
191.23511	0.2
199.85664	0.4
233.52054	0.3
285.06473	0.8
285.09766	11.4
285.13043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94735	0.3
58.39041	0.3
62.69094	0.3
63.02394	5.5
65.00324	3.7
73.37867	0.3
77.30685	0.4
83.01385	3.7
83.50948	0.4
91.01904	0.7
93.03455	4.4
95.01362	1.6
96.43276	0.3
106.82673	0.3
107.01389	8.0
108.02205	0.4
109.02954	0.7
111.08650	0.3
117.03425	1.7
117.04180	0.3
119.01375	0.5
121.02942	0.5
123.00878	1.0
123.04498	1.4
130.04210	0.6
131.05016	0.9
133.02966	0.7
133.06537	0.3
135.00883	0.9
137.02452	1.0
143.05020	2.5
145.02945	2.0
145.06554	0.5
147.04491	0.4
151.00363	13.2
152.00754	0.4
152.68280	0.3
154.04219	1.1
155.05032	0.8
156.05823	0.5
157.06557	1.0
158.03673	0.4
159.04527	1.9
161.02509	0.5
161.06142	0.5
162.90860	0.4
163.00378	2.4
164.01172	1.7
165.01933	0.6
167.05019	0.9
169.01404	1.4
169.06554	1.3
171.04503	1.0
172.05093	0.3
172.61986	0.3
173.02521	0.4
173.06104	0.3
182.03696	0.6
183.04518	0.8
184.05305	0.6
185.06081	3.7
187.03970	2.9
189.05557	0.7
192.00528	0.4
193.76462	0.3
195.04541	0.6
197.06058	0.5
198.06331	0.3
199.03972	0.8
201.05603	1.0
202.99725	0.4
211.04027	2.4
212.04790	0.5
213.05461	2.4
214.02750	0.8
215.03493	0.7
217.04927	0.4
227.03590	1.9
228.03734	0.5
229.05037	8.2
230.05353	0.7
230.42604	0.4
239.03445	1.6
240.04309	1.0
241.04993	2.0
243.02928	0.6
255.02983	0.6
256.03513	1.3
257.04547	7.1
257.07126	0.6
258.04663	0.4
267.02798	0.7
284.03247	0.5
285.04034	100.0
286.04364	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.22488	0.2
57.00412	0.2
57.35468	0.2
63.02394	1.0
65.00324	3.2
69.61748	0.6
69.62164	0.4
81.03428	0.2
83.01393	1.7
93.03447	0.2
95.19463	0.2
105.03482	1.0
105.14320	0.2
107.01385	5.2
109.00283	0.2
109.02979	0.2
119.04999	0.2
121.02964	1.1
121.58938	0.2
123.04563	0.2
132.02171	0.7
133.02954	29.3
134.03296	1.3
135.04501	0.2
137.61093	0.2
143.04988	0.3
145.06647	0.2
147.04456	0.4
149.02440	3.5
151.00360	9.2
152.00694	0.4
155.05061	0.2
157.06496	0.2
163.93321	0.2
169.06584	0.4
171.04572	0.9
171.85144	0.2
173.02362	0.2
174.03201	0.2
175.03993	5.6
176.04282	0.3
185.06081	0.4
187.03888	0.2
189.05493	0.4
196.05202	0.2
197.06093	0.6
198.03185	0.6
199.03987	4.3
200.04317	0.2
201.01892	1.9
201.83737	0.2
211.04034	0.3
213.05511	0.9
214.02577	0.3
215.03557	0.8
217.05093	2.5
223.03944	0.5
229.04909	0.4
231.39587	0.2
239.03355	0.4
240.04156	0.3
241.05074	1.6
242.02267	0.4
242.05386	0.2
243.03011	0.9
257.04538	0.8
267.03012	0.5
285.04025	100.0
286.04376	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	285.0406
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.14487	0.1
53.80163	0.1
63.02402	1.1
65.00320	0.8
67.01882	0.3
79.01891	0.2
83.01384	1.0
91.01901	0.4
93.03457	3.3
95.01389	0.5
107.01389	2.1
108.02203	0.7
109.02967	1.1
115.05545	0.1
117.03473	1.1
118.41441	0.1
119.01396	0.3
119.05005	0.2
121.02959	0.3
123.00868	0.4
123.04496	0.9
129.03458	0.1
130.04218	0.3
131.05003	0.3
133.02989	0.8
135.00864	0.7
135.04387	0.1
136.01646	0.2
137.02431	0.8
137.03363	0.1
138.37788	0.1
141.07124	0.2
143.05009	1.6
145.02957	1.2
145.06548	0.1
147.00891	0.2
147.04495	0.2
151.00372	2.1
154.04225	1.2
155.05019	0.8
156.05811	0.3
157.02937	0.4
157.06573	0.9
158.03752	0.4
159.04517	1.6
161.02469	0.8
161.06084	0.2
163.00383	1.1
164.01160	0.3
164.68323	0.1
165.01967	0.3
167.05000	0.6
168.05721	0.3
169.01431	0.1
169.02864	0.2
169.06596	1.2
170.03757	0.1
171.04510	1.2
173.02400	0.6
174.03093	0.2
175.04012	0.2
183.04527	0.6
184.05272	0.5
185.02515	0.1
185.06068	2.6
187.03993	2.3
188.04346	0.1
189.05531	0.2
192.00690	0.2
195.04539	0.4
196.05284	0.2
197.05998	0.3
198.03214	0.3
199.04008	0.5
201.05540	0.8
210.03159	0.1
211.03973	1.6
211.13393	0.3
212.04654	0.2
213.01945	0.2
213.05563	1.0
214.02713	1.0
215.03539	0.7
216.03781	0.1
217.04839	0.1
219.02974	0.3
227.03542	1.2
229.05038	1.9
230.05327	0.2
239.03490	2.2
240.04187	0.5
241.05002	0.3
243.02977	1.0
255.03079	0.9
256.03769	0.3
257.04565	1.2
267.02908	0.3
268.03723	0.4
284.03296	0.3
285.04028	100.0
286.04376	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	285.0392
Annotation	Luteolin
Peak:m/z	Relative Intensity
52.94735	0.3
58.39041	0.3
62.69094	0.3
63.02394	5.5
65.00324	3.7
73.37867	0.3
77.30685	0.4
83.01385	3.7
83.50948	0.4
91.01904	0.7
93.03455	4.4
95.01362	1.6
96.43276	0.3
106.82673	0.3
107.01389	8.0
108.02205	0.4
109.02954	0.7
111.08650	0.3
117.03425	1.7
117.04180	0.3
119.01375	0.5
121.02942	0.5
123.00878	1.0
123.04498	1.4
130.04210	0.6
131.05016	0.9
133.02966	0.7
133.06537	0.3
135.00883	0.9
137.02452	1.0
143.05020	2.5
145.02945	2.0
145.06554	0.5
147.04491	0.4
151.00363	13.2
152.00754	0.4
152.68280	0.3
154.04219	1.1
155.05032	0.8
156.05823	0.5
157.06557	1.0
158.03673	0.4
159.04527	1.9
161.02509	0.5
161.06142	0.5
162.90860	0.4
163.00378	2.4
164.01172	1.7
165.01933	0.6
167.05019	0.9
169.01404	1.4
169.06554	1.3
171.04503	1.0
172.05093	0.3
172.61986	0.3
173.02521	0.4
173.06104	0.3
182.03696	0.6
183.04518	0.8
184.05305	0.6
185.06081	3.7
187.03970	2.9
189.05557	0.7
192.00528	0.4
193.76462	0.3
195.04541	0.6
197.06058	0.5
198.06331	0.3
199.03972	0.8
201.05603	1.0
202.99725	0.4
211.04027	2.4
212.04790	0.5
213.05461	2.4
214.02750	0.8
215.03493	0.7
217.04927	0.4
227.03590	1.9
228.03734	0.5
229.05037	8.2
230.05353	0.7
230.42604	0.4
239.03445	1.6
240.04309	1.0
241.04993	2.0
243.02928	0.6
255.02983	0.6
256.03513	1.3
257.04547	7.1
257.07126	0.6
258.04663	0.4
267.02798	0.7
284.03247	0.5
285.04034	100.0
286.04364	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0405
Annotation	7-Hydroxyemodin
Peak:m/z	Relative Intensity
59.01361	0.3
62.10423	0.2
63.02394	1.9
65.00323	0.6
65.03936	0.5
67.01878	0.2
79.01866	0.4
83.01393	1.0
91.01904	1.3
93.03461	5.9
95.01383	0.4
107.01391	4.1
108.02168	0.7
109.02956	2.4
111.00793	0.3
117.03471	2.4
119.01377	0.6
119.05016	0.4
121.02935	0.6
123.00905	0.3
123.04557	0.5
125.02400	0.4
125.88107	0.2
129.07063	0.3
129.64343	0.2
130.04234	0.9
131.05043	1.8
133.02979	0.5
135.00867	2.8
137.02446	0.8
141.07079	0.7
143.05020	5.1
145.02919	1.5
145.06621	0.8
145.91475	0.3
151.00354	0.7
153.01941	0.9
154.04202	1.3
155.05009	0.9
156.05801	1.0
157.02977	0.3
157.06575	2.9
158.03712	0.7
159.04520	5.3
161.02513	0.4
161.06140	0.3
163.00377	4.7
165.01926	1.1
167.05031	1.9
168.05551	0.3
169.01498	0.5
169.02888	0.4
169.06580	1.9
171.04517	2.4
173.02449	0.7
173.06073	0.7
174.03131	0.4
182.03723	0.7
183.04495	2.4
184.05260	0.8
185.02449	0.4
185.06062	6.7
186.03247	0.3
186.06465	0.5
187.04005	9.6
188.04343	0.5
189.05569	3.1
190.99944	0.4
195.04478	1.9
196.05284	0.8
197.06079	2.0
198.03229	0.5
199.03963	1.6
201.05565	1.7
211.04005	4.9
212.04671	1.0
213.02211	0.3
213.05554	4.9
214.02632	0.7
214.05853	0.4
215.03421	1.0
223.04068	0.4
224.04707	0.4
226.02698	0.3
227.03494	5.8
228.03986	0.3
229.05043	24.9
230.05351	1.9
239.03470	3.0
240.04166	1.5
241.05037	3.2
242.05312	0.3
243.03073	1.2
245.49055	0.2
245.82314	0.3
255.02962	1.8
256.03705	1.8
257.04553	12.9
258.04852	0.6
267.02902	2.1
284.26691	0.4
285.04037	100.0
286.04376	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	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
55.88469	0.4
61.33747	0.4
67.13390	0.4
70.53973	0.4
98.20736	0.9
107.05027	100.0
108.05349	3.2
117.33955	0.4
133.26619	0.4
148.52858	0.4
163.11279	96.9
164.11604	5.0
173.03076	0.4
181.34309	0.4
229.19980	0.5
283.17029	83.5
283.26364	25.1
284.17361	7.9
284.26700	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	285.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
63.02387	0.5
65.00330	1.1
71.52115	0.2
83.01384	0.6
93.03462	0.4
105.03473	0.3
107.01398	1.8
108.02204	0.5
117.03516	0.2
121.02959	0.6
123.04535	0.6
129.03482	0.8
132.02196	0.2
133.02956	8.8
134.03311	0.2
137.02313	0.2
141.03484	0.8
145.03003	0.4
147.04529	1.6
148.01630	0.4
148.28087	0.2
149.02402	1.4
150.02890	0.2
151.00371	2.9
157.02931	1.9
169.02950	0.5
171.04482	0.3
173.02419	0.8
175.04019	2.0
180.00626	0.2
183.00920	0.3
184.01715	0.5
185.02437	7.9
185.06018	0.3
186.02786	0.4
198.03223	0.3
199.04021	1.5
201.01917	1.7
211.00407	1.8
211.03888	0.3
212.01181	1.1
213.01909	4.6
213.05280	0.2
214.02338	0.3
217.04988	1.1
223.04099	0.2
229.01428	1.6
229.04839	0.3
238.99899	0.5
241.01459	1.4
241.05006	0.3
242.01973	0.2
243.03038	0.6
257.00848	0.6
257.04419	0.4
259.24170	0.2
270.05286	0.3
283.99695	1.3
284.26721	0.9
285.00418	100.0
285.03989	36.0
286.00735	7.3
286.04355	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	279.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.6
57.03422	1.4
58.00593	2.1
59.01382	92.6
69.64159	6.1
71.01385	49.1
71.05027	5.6
72.99303	3.0
73.02936	1.5
83.01408	2.8
85.02954	12.3
87.00864	2.4
89.02448	61.3
95.01391	3.5
99.04528	23.9
100.19847	1.2
101.02446	26.2
113.01730	1.5
113.02451	19.3
117.05578	33.0
119.03507	23.8
131.03473	2.1
143.03497	3.6
149.04572	1.8
159.06667	1.5
161.04510	2.7
179.05579	7.3
279.10855	100.0
280.11145	3.5
291.09686	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	279.1085
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
54.24427	0.7
55.01892	1.0
57.03423	1.1
58.00582	2.2
58.37741	0.8
59.01380	57.3
68.02571	0.7
69.84900	2.5
71.01383	27.7
71.05028	5.1
71.69418	0.7
72.99317	1.7
73.02924	0.9
76.32281	0.8
83.01383	1.3
85.02961	5.4
85.14867	0.7
87.00878	1.7
88.98254	0.6
89.02447	33.8
95.01397	2.4
99.04520	24.8
101.02445	18.2
113.02457	10.4
117.05583	35.1
119.03506	13.0
143.03516	0.9
149.04567	0.8
159.06604	1.7
161.04619	1.3
179.05615	3.1
179.07059	0.7
210.45277	0.7
279.10846	100.0
280.11133	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.83949	0.7
68.33492	0.7
69.66928	0.8
70.03953	0.8
70.80817	1.3
72.45016	0.6
98.53383	0.8
173.91292	0.9
261.22061	0.7
279.23273	100.0
280.23547	7.0
303.26050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05213	0.5
57.03460	0.6
59.01382	6.5
68.99820	0.5
71.01381	3.7
71.51771	0.4
71.52280	0.7
73.02966	1.3
83.01385	1.4
85.02948	1.4
86.43647	0.4
87.00852	0.6
89.02458	0.9
93.03461	89.2
94.03794	2.0
96.96014	3.1
101.02432	1.6
107.05014	1.2
113.02454	1.6
121.02968	1.9
123.04590	0.6
135.04536	1.5
137.02448	100.0
138.02788	2.8
139.04054	0.7
147.04538	0.5
149.02431	1.1
151.04041	3.3
161.02478	1.2
161.04552	1.0
174.03481	0.5
179.03531	1.7
187.50630	0.5
191.03378	0.6
237.14923	0.8
281.06644	1.2
281.10287	0.6
281.14127	2.3
281.17279	0.7
281.24731	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	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.7
57.03430	4.4
58.00589	4.5
58.50917	2.3
59.01379	100.0
59.42333	2.4
60.83947	2.1
65.21310	2.3
68.17961	2.5
69.51013	2.0
71.01380	91.5
71.45590	2.2
71.50356	2.8
71.50735	2.5
72.99337	3.1
73.02943	22.0
75.00842	2.8
83.01391	9.2
83.05058	2.3
85.02946	35.3
87.00871	6.9
87.04504	6.5
89.02439	61.8
95.01376	7.1
99.00891	7.6
101.02444	75.0
113.02441	35.0
113.48350	2.4
119.03516	24.1
119.07161	16.4
131.03535	3.7
132.95576	3.1
133.01570	4.1
133.78006	2.2
143.03500	6.6
150.04239	16.5
159.02950	8.0
161.02438	9.2
161.04533	38.7
179.05612	4.7
243.06122	2.4
281.06927	2.8
281.12411	36.3
282.12875	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.55993	0.5
54.91177	0.5
59.01369	1.6
71.13163	1.2
72.55693	0.6
106.92844	0.5
109.96623	0.5
148.01007	0.5
151.05376	0.5
277.21725	100.0
278.22003	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	277.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58504	0.3
59.01380	7.7
65.13138	0.3
68.81429	0.4
71.01368	0.9
71.39506	0.5
72.47372	0.3
78.95239	0.4
79.95741	0.5
83.05029	0.5
89.00322	1.1
105.03436	0.5
121.02924	0.8
127.07625	0.4
160.98802	1.0
189.02017	0.5
199.30997	0.4
204.97714	0.6
205.01382	0.5
205.15924	1.3
232.97203	0.6
233.00793	0.7
233.19073	0.9
233.22617	0.6
249.03969	0.9
259.20523	0.6
277.00406	0.5
277.03503	1.9
277.18152	14.0
277.21680	100.0
278.18353	1.2
278.22040	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	279.1088
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
53.43548	0.6
55.01871	1.1
58.00584	2.1
58.19511	0.6
59.01385	49.8
70.82527	1.3
70.82880	0.9
71.01386	22.1
71.05015	6.8
72.99317	1.2
75.00883	0.7
83.01384	1.5
85.02975	5.0
85.77265	0.6
89.02454	28.2
95.01388	1.9
95.04228	0.6
99.03921	1.5
99.04533	22.7
101.02452	14.3
113.02467	7.7
117.05588	33.3
118.54027	0.6
119.03508	11.8
131.03511	0.7
143.03481	0.9
159.06735	1.4
161.04539	0.9
179.05609	2.2
196.32896	0.9
279.10858	100.0
279.80411	0.8
280.11255	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	277.1659
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
52.03000	0.5
52.28502	0.6
59.01186	1.5
59.01509	3.7
60.97595	0.7
71.01498	0.7
71.50206	0.6
71.50668	1.1
80.98849	0.5
89.00472	1.4
95.92970	0.5
101.04003	0.5
103.02310	1.1
104.94810	0.6
121.03262	3.6
146.99480	1.2
147.08487	4.8
160.98885	1.1
165.00435	13.0
166.00645	0.8
181.00018	1.2
189.02011	0.9
189.04071	0.9
191.05641	10.7
191.07349	0.6
192.05838	0.7
204.97772	1.7
205.01495	0.9
205.07220	1.3
205.15984	1.4
212.70828	0.6
217.07040	0.6
231.08832	2.2
232.97279	0.9
233.10329	100.0
234.10475	7.3
249.04004	1.6
259.15494	0.6
277.00089	0.8
277.03409	3.7
277.16498	83.7
277.21307	25.9
278.16656	8.9
278.21936	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
68.99796	0.5
71.01363	1.2
77.00314	0.4
81.90778	0.4
89.00343	1.3
97.63174	0.4
98.19758	0.8
100.01625	0.4
103.01372	0.4
115.00346	0.5
133.02904	0.4
137.02478	0.5
145.02977	0.5
160.98752	0.7
161.02406	0.8
189.01901	0.7
203.03592	0.6
204.97807	0.5
205.01433	0.7
231.02841	0.6
233.00806	0.7
233.15369	0.5
233.22726	0.9
249.04019	1.8
275.20200	0.6
277.03531	4.0
277.21713	100.0
278.22058	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2171
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01379	2.3
63.55117	0.2
71.01385	0.4
98.50214	0.2
108.73238	0.2
127.07634	0.4
182.06226	0.2
199.28601	0.2
204.77739	0.2
205.15938	0.3
229.19066	0.3
229.21220	0.2
233.22636	0.4
240.53595	0.2
259.20569	0.5
275.20108	0.4
277.03494	0.6
277.21713	100.0
278.22073	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	275.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37595	4.8
59.01378	78.4
70.02136	17.2
71.01386	59.8
71.24024	4.3
72.99332	5.3
89.02445	100.0
101.02444	45.6
108.79591	4.1
108.93736	5.1
113.02454	14.4
116.46986	4.6
117.03125	4.2
119.03478	19.3
126.90365	26.2
130.88959	6.2
131.03490	16.0
132.88637	16.4
140.28685	4.8
149.04567	93.2
179.05618	10.0
179.32315	4.3
238.96370	5.2
239.07675	19.2
275.05417	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	277.0352
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
58.02970	0.3
59.01376	0.5
65.00320	0.5
68.79294	0.3
69.73801	1.5
71.01373	0.7
80.96537	0.4
89.03951	0.3
92.94794	0.3
102.99032	0.3
104.03571	0.3
105.03471	0.8
108.02193	0.3
109.88229	0.3
116.62999	0.3
117.03467	2.6
119.05044	0.4
121.02937	0.9
122.03735	0.3
133.02931	1.3
134.03685	0.4
137.02469	0.4
138.03304	0.3
145.02956	2.7
146.03703	0.4
147.00853	0.9
148.01700	0.4
149.02393	0.8
150.03181	0.7
161.02440	6.6
162.03250	1.5
163.00319	0.4
163.03960	0.9
165.05577	4.4
166.02705	8.2
166.05869	0.3
167.03081	0.4
169.40572	0.3
173.02495	1.5
174.03065	0.3
175.04030	1.1
176.01097	0.6
177.01968	2.6
177.05563	2.6
189.00308	0.6
189.01930	9.2
190.02708	6.3
191.03264	0.4
193.01418	6.4
193.05057	6.2
194.05168	0.4
201.99129	0.8
203.03505	12.7
204.03766	0.4
205.01414	4.4
205.04993	1.0
206.02055	1.1
217.01428	2.2
218.02156	2.2
219.02780	0.4
220.03763	0.4
221.00943	1.3
221.04498	3.6
231.02983	11.9
232.03406	1.2
233.00906	4.3
233.04555	1.1
234.01617	0.8
245.01013	1.4
248.03221	1.5
249.04019	38.3
250.04373	1.9
277.03519	100.0
277.21606	0.6
278.00879	0.6
278.03854	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0354
Annotation	Nepenthone A
Peak:m/z	Relative Intensity
53.34367	0.3
59.89858	0.4
68.99833	0.5
69.36533	2.5
77.01399	0.3
82.08448	0.4
89.00310	0.5
108.02192	0.5
121.02962	0.7
124.78627	0.4
132.02159	0.5
133.02991	1.0
137.02496	0.7
142.62419	0.4
145.02948	1.1
146.03809	0.6
147.00922	0.9
147.04564	0.7
149.02449	0.7
150.03154	0.5
161.02457	4.8
162.03191	1.3
165.05577	4.5
166.02715	7.5
173.02586	0.4
175.04013	0.7
176.01178	0.6
177.01889	1.7
177.05550	1.9
177.96954	0.4
188.01073	0.4
189.01936	7.1
190.02728	6.6
193.01410	6.9
193.05070	6.5
203.03506	12.6
204.03993	0.4
204.97853	0.5
205.01447	3.6
205.05040	1.4
206.02139	1.1
218.02124	1.6
220.03815	0.6
221.00894	1.3
221.04543	3.6
231.02972	11.3
232.03564	0.9
232.97127	0.4
233.04527	0.6
234.45522	0.5
248.03276	1.3
249.04028	39.5
250.04373	2.5
277.03525	100.0
277.21790	1.2
278.03851	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	273.0384
Annotation	5-epi-Valiolol 7-phosphate
Peak:m/z	Relative Intensity
52.20803	0.1
62.96403	0.2
65.63886	0.2
69.27169	0.4
69.27580	0.8
71.01379	0.4
78.95907	89.9
85.02949	0.5
87.00890	0.3
96.96964	4.8
99.05657	0.2
100.04084	0.3
109.60426	0.1
110.98537	67.2
111.98884	0.3
125.02485	0.2
136.94009	0.2
157.09872	0.2
193.97229	0.1
197.04660	0.1
200.59290	0.1
201.08784	0.7
223.00070	0.3
241.01193	20.1
242.01532	0.6
270.19888	0.2
273.03802	100.0
274.04144	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	271.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
58.00597	11.2
58.44385	1.2
59.01383	21.2
65.94690	1.2
67.99606	1.3
69.03447	2.5
72.99317	2.0
73.02931	5.4
83.01382	1.4
83.05022	5.3
87.00885	3.8
93.03435	2.0
95.05014	2.0
97.06585	16.4
99.08133	1.6
105.07703	1.2
107.05031	2.0
108.02177	1.5
109.06600	6.1
111.04505	2.9
111.08157	51.8
113.06075	10.8
121.02932	3.8
121.06580	5.5
125.02425	4.4
127.07626	5.3
135.04498	2.4
135.08160	15.5
137.06070	6.0
139.07645	21.2
141.05588	12.0
143.07097	4.5
149.02441	10.1
151.00346	1.5
155.07143	30.9
165.09189	4.3
173.08067	1.7
173.13364	9.7
181.57790	1.3
187.00227	1.6
191.14391	4.6
211.02501	3.8
227.12798	1.9
229.01645	2.0
242.99452	2.5
253.14444	8.6
256.03497	1.5
271.02313	2.9
271.06110	6.8
271.15485	100.0
272.15738	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	271.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06486	1.0
57.03432	1.8
58.00608	6.5
59.01382	24.7
69.03451	3.6
70.00077	4.3
71.01386	4.1
72.99318	1.6
73.02949	4.1
83.05014	3.3
84.02211	1.0
85.02938	1.7
95.04996	1.7
97.06600	14.3
108.02187	4.7
109.02960	3.7
109.06582	3.6
111.04521	1.8
111.08167	49.4
112.08479	1.7
113.06095	14.1
115.04021	1.5
119.05094	1.3
121.06588	4.4
123.04560	1.2
125.02398	5.8
125.06002	1.7
127.07649	4.5
135.08157	7.9
137.06082	4.2
139.07661	13.6
141.05594	15.8
143.06183	1.2
143.07129	7.5
145.65688	1.0
149.86641	1.0
151.00430	1.3
155.07162	17.6
168.00601	2.7
173.08214	2.1
173.13341	4.6
176.56549	1.0
187.00296	2.2
191.14401	3.6
211.02449	7.3
212.22495	1.3
214.99837	2.2
220.09442	1.0
229.11858	1.1
235.13577	1.1
241.04955	1.4
242.99367	3.1
243.02977	2.1
253.14375	5.2
256.07312	1.2
270.98819	5.9
271.02289	3.2
271.04733	1.6
271.15521	100.0
272.15848	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	271.0615
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
63.02399	12.4
65.00328	20.5
71.01371	1.0
71.52173	0.8
72.99309	1.3
81.03476	0.9
83.01394	13.3
85.48892	0.9
87.00851	0.9
87.04515	1.0
91.09610	0.7
93.03464	15.3
99.00867	1.4
107.01398	28.2
108.02190	2.3
109.02985	1.8
109.06639	1.4
112.98804	0.9
119.05036	81.0
120.05370	2.7
121.02969	1.2
123.00945	1.2
125.02433	3.0
135.00890	1.0
135.03059	0.8
135.04553	2.2
137.06062	1.1
142.99870	1.7
143.05011	0.9
145.02979	1.2
151.00375	74.2
152.00746	2.5
153.05542	2.3
161.06105	1.8
165.01956	5.2
165.83424	0.7
168.00658	0.9
169.01442	3.2
171.11092	0.7
174.01714	12.2
177.01921	9.9
185.06018	1.2
187.04016	3.5
193.05067	1.4
207.99355	0.9
211.02454	2.2
227.07133	1.2
229.05069	1.2
271.06149	100.0
272.06491	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	4.9
59.01381	3.6
69.47389	10.9
71.01369	2.4
72.99276	1.9
74.02464	9.1
74.04688	1.6
83.01380	3.6
86.02469	6.0
87.05641	2.7
97.02879	1.6
97.04023	2.2
98.20652	3.4
99.00884	2.7
99.05647	11.2
108.02211	3.5
109.02933	4.2
109.06585	2.3
111.00864	2.0
112.04028	2.2
112.98796	7.6
125.02435	9.4
128.03534	26.9
136.98874	1.8
142.99843	4.8
143.03555	3.2
143.04625	43.0
146.23740	2.0
153.05582	5.2
168.00642	5.7
169.01413	7.5
174.01678	100.0
175.02171	4.3
179.04587	4.8
181.96179	1.8
193.05086	1.7
210.08807	7.5
211.02458	21.6
254.07770	3.6
271.04471	12.9
271.15359	3.3
272.08774	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	271.0823
Annotation	Arbutin
Peak:m/z	Relative Intensity
59.01374	0.7
65.03966	0.3
69.03468	0.5
69.49475	2.3
71.01382	0.7
71.05025	0.5
72.99313	0.6
80.02696	0.4
81.03456	0.6
85.02953	0.5
87.00884	0.5
91.01911	0.7
93.03421	0.6
95.05070	0.4
97.31966	0.3
99.00867	0.7
101.02440	0.4
108.02182	3.6
109.02951	100.0
110.03300	2.3
111.00877	0.5
112.98800	1.3
113.02386	0.4
115.00317	0.4
121.02943	0.8
123.00892	0.5
123.08195	0.6
125.02430	3.5
132.33168	0.3
139.00374	0.6
139.07549	0.4
140.01138	0.9
142.99844	0.5
143.04610	0.3
149.02415	0.5
153.05603	0.8
161.02484	0.6
165.04283	0.3
167.07124	0.5
168.00626	1.8
169.01413	2.6
174.01697	10.1
174.03191	0.6
175.02344	0.3
183.01193	0.7
211.02467	7.1
225.05368	0.3
227.05739	0.5
241.05025	0.6
243.06668	2.4
271.04282	3.7
271.08322	1.7
271.11194	0.7
271.19058	0.3
271.22690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51917	0.2
65.00308	0.3
69.40896	1.6
82.62429	0.2
83.07655	0.2
83.14462	0.2
91.01894	15.4
92.02200	0.3
93.03469	0.3
96.95974	0.2
107.01432	0.2
107.05039	0.2
108.02177	0.4
109.02974	0.6
117.03407	0.4
125.02471	0.4
134.03786	2.0
135.00905	33.8
135.04530	100.0
136.01207	0.7
136.04857	3.1
153.01945	11.5
154.02271	0.3
157.35013	0.3
161.02464	0.7
194.51700	0.2
212.57619	0.2
225.05388	0.2
229.69273	0.2
253.04970	1.2
262.14395	0.2
271.06113	23.0
272.06500	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	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47401	0.6
53.96830	0.7
63.02399	11.1
65.00325	19.0
65.32542	0.7
66.82658	0.6
81.03471	0.7
83.01385	12.3
93.03455	15.9
94.49467	0.6
104.76816	0.6
107.01392	29.6
108.02188	1.0
109.02930	1.3
119.05028	87.9
120.05350	2.1
121.02986	1.1
125.02442	1.4
135.00891	0.8
135.04509	1.1
143.05040	1.7
145.02910	1.8
151.00366	78.1
152.00748	1.2
161.06026	1.9
165.01932	3.3
169.01382	1.5
177.01944	10.7
185.06068	1.1
187.03964	3.3
227.07161	1.8
249.31816	0.7
257.90164	0.7
261.59021	0.7
271.06107	100.0
272.06424	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	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
59.01382	2.5
59.81309	0.4
63.02394	3.9
65.00009	0.7
65.00325	7.1
68.99825	0.7
69.27666	3.8
81.03462	0.5
83.01388	6.8
95.01398	0.6
107.01387	8.4
108.02214	3.2
109.02905	0.6
116.75179	0.4
117.03501	1.0
119.05025	5.2
125.02449	7.5
130.04236	0.5
131.04997	0.6
133.02966	0.9
135.04555	1.1
142.13492	0.4
143.05028	8.2
145.02974	4.0
146.03679	1.1
151.00371	12.5
156.05806	1.5
157.06581	4.1
159.04491	1.4
161.06076	7.1
164.01149	0.6
167.05029	1.6
169.01576	0.6
169.02954	1.5
171.08130	0.5
181.06673	0.6
183.04527	1.3
183.08167	0.9
184.05319	1.0
185.06084	17.3
186.06441	0.9
187.03999	9.9
188.04694	0.5
197.06081	0.6
199.07642	3.0
201.05576	0.7
203.07140	1.5
209.06049	3.8
211.04134	0.6
213.05467	0.9
227.07129	15.8
228.07361	1.0
229.05063	2.1
241.05046	1.7
253.05106	4.4
256.07315	1.8
271.06113	100.0
271.15533	1.2
271.22763	0.8
272.06439	5.5
289.90610	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0611
Annotation	(2R,3S)-2,4',7-trihydroxyisoflavanone
Peak:m/z	Relative Intensity
57.40868	0.8
58.02960	1.3
59.01379	1.3
61.62230	0.8
62.98291	0.8
65.00706	0.8
65.03969	7.0
67.01884	3.6
69.41847	7.5
74.02472	1.4
80.02694	1.0
86.08337	0.9
91.01890	1.8
93.03461	5.5
99.05656	1.7
105.03430	3.1
108.02168	3.2
109.02952	100.0
110.03273	1.3
117.03445	1.7
121.02946	19.4
123.00866	2.7
123.04523	3.6
124.01651	0.9
125.02442	6.1
128.03546	4.1
132.02094	0.9
133.02965	12.6
135.00871	3.8
137.02449	1.7
139.04018	2.0
143.04636	8.1
148.01657	6.7
149.02429	15.1
160.01637	1.3
161.02443	71.3
162.03210	6.7
163.00328	3.5
168.00636	2.6
169.01414	4.7
173.64589	0.9
174.01799	1.0
177.61996	0.9
181.06531	1.4
197.06032	1.8
209.06058	3.1
210.08807	2.0
211.02428	8.4
214.99939	1.0
225.05525	5.4
227.03543	1.3
227.07001	1.3
228.08867	1.7
229.04987	1.6
241.05003	1.6
243.06589	33.0
244.00208	1.2
253.05038	22.3
254.05388	0.9
256.03864	2.2
271.06241	48.6
271.10455	6.5
271.99615	3.9
272.06335	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	269.103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	12.7
56.81810	1.9
56.83539	1.8
57.03438	8.4
59.01381	57.4
65.00316	3.3
71.01382	100.0
71.51830	2.2
72.99303	6.4
73.02946	41.5
75.00818	2.0
81.03450	2.0
83.01379	21.4
84.02112	2.1
85.02948	55.7
87.00886	5.2
89.02443	3.4
95.01377	8.6
97.02945	3.6
99.00881	11.4
101.02445	87.9
107.01400	4.9
109.02928	4.9
113.02458	38.8
117.03451	5.6
125.02435	4.5
129.01956	3.7
132.02162	5.7
143.03409	3.4
151.00317	3.9
159.02974	10.8
160.01617	4.2
161.04535	25.2
193.98555	25.2
196.05312	3.3
197.06053	5.5
201.05461	3.0
209.00880	2.4
224.04716	4.9
225.05588	15.9
247.63467	1.9
269.04535	62.0
269.10355	10.7
269.20972	2.8
270.04886	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	271.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.4
58.00582	0.4
59.01093	0.3
59.01378	7.5
65.00327	0.5
67.01896	1.0
68.99816	0.7
69.03440	0.6
71.01385	3.7
71.50023	0.3
72.99301	1.3
73.02946	0.3
74.99090	0.3
78.91884	0.2
78.95918	0.6
79.01901	0.6
81.03468	0.5
82.00618	0.7
83.01395	1.5
85.02966	0.5
87.00896	0.8
89.02444	0.9
93.03483	0.7
95.01408	1.4
95.05028	0.3
96.96973	0.4
96.99320	0.2
97.02951	0.7
99.00880	0.4
101.02441	1.1
107.01395	4.2
108.02177	13.0
109.02959	2.6
110.00109	1.0
111.00879	6.6
111.04513	0.2
112.98835	0.3
113.02467	0.3
121.02967	0.8
123.00879	4.4
123.04532	0.6
124.01654	5.3
125.02453	32.0
126.02795	1.1
127.00359	2.8
136.98810	4.2
137.02438	0.8
139.00378	7.3
139.04027	1.3
140.01169	9.9
141.01813	0.2
149.02425	0.5
151.00369	2.3
151.04010	0.6
153.01958	0.2
154.99887	0.7
155.03539	0.6
161.02423	0.4
161.04579	0.5
165.01962	1.5
167.03494	2.7
168.00652	27.4
169.01436	36.5
170.01753	1.3
173.04503	0.3
183.02997	0.8
193.01375	0.4
211.02487	100.0
212.02841	3.5
212.89648	0.2
241.79079	0.2
253.03384	0.3
271.04584	62.7
272.04922	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	271.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36076	0.2
57.03445	0.2
58.00598	0.2
59.01072	0.4
59.01376	7.7
59.08201	0.2
65.00338	0.8
67.01881	1.0
68.99813	0.7
69.03445	0.6
71.01376	2.9
71.50572	0.2
71.50945	0.2
72.99306	1.3
74.02470	0.5
74.99093	0.2
75.72380	0.2
78.01140	0.2
79.01896	0.6
81.03463	0.3
82.00608	0.2
82.02956	0.2
83.01376	1.0
83.72147	0.2
84.99326	0.2
87.00889	0.5
88.57077	0.2
89.02458	0.6
93.03461	0.6
95.01378	1.0
96.96954	0.2
96.99346	0.3
97.02956	0.7
99.00867	0.3
101.02444	0.8
102.26553	0.2
104.03537	0.5
106.00540	0.2
107.00647	0.3
107.01379	3.8
108.02182	1.6
109.02946	1.2
110.00117	0.9
111.00881	6.5
112.04041	0.4
121.02953	0.7
123.00882	4.5
123.04498	0.5
124.01644	3.9
124.04087	0.4
125.02443	30.9
126.02782	0.7
126.05584	0.2
127.00366	2.3
128.03560	0.3
136.98805	4.1
137.02399	1.1
138.03209	0.4
138.99402	0.1
139.00362	6.7
139.03966	1.1
140.01152	10.3
141.01880	0.3
149.02437	0.7
151.00365	2.2
151.03995	0.5
153.01958	0.4
153.05609	0.4
154.99849	0.9
155.03487	0.6
161.02444	0.4
163.00388	0.2
165.01955	1.7
166.99873	0.2
167.03487	2.6
168.00633	25.2
169.01411	33.9
170.01837	1.1
179.12161	0.2
181.01422	0.3
183.03011	1.0
193.01387	0.5
211.02463	100.0
212.02802	3.6
241.08173	0.5
241.80791	0.2
253.03493	0.2
271.04568	60.3
272.04910	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	269.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47662	1.0
55.01876	12.0
55.84916	1.1
57.03439	8.2
58.00587	3.2
59.01378	54.9
60.01710	1.0
66.50449	1.2
66.67088	1.1
66.99797	1.1
68.99822	1.3
69.03470	1.6
69.30418	4.7
69.30838	5.7
71.01380	100.0
72.01727	1.5
72.99308	5.3
73.02947	39.2
75.00857	2.1
83.01388	17.0
84.02164	1.5
85.02949	51.9
86.00124	1.6
87.00890	2.8
89.02457	4.5
95.01395	8.2
96.96060	1.3
97.02954	2.9
98.35751	1.2
99.00875	15.0
101.02441	78.6
101.26452	1.3
102.02797	1.7
107.05035	2.5
113.02451	38.0
124.66433	1.2
125.02435	4.2
129.01913	1.4
132.69891	1.3
143.03545	1.6
159.02977	5.3
161.04541	24.9
169.01398	1.3
269.10269	6.3
269.21161	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	269.0455
Annotation	Thunberginol A
Peak:m/z	Relative Intensity
65.00334	0.3
69.24352	2.1
73.02950	0.2
73.53770	0.2
89.03963	0.7
91.01894	8.3
105.03465	1.1
108.02222	0.3
109.02962	1.0
120.24412	0.2
121.02965	0.3
123.04538	0.6
132.02191	1.1
133.02956	48.4
134.03279	1.6
135.00879	12.0
141.07147	0.4
143.04977	0.2
148.01672	0.2
149.02419	0.3
153.01935	3.3
153.07196	0.2
155.05052	0.5
161.02452	0.9
165.99049	0.3
167.05046	0.8
168.05727	0.2
169.06609	1.8
171.04494	0.7
173.06004	0.4
179.04935	0.2
180.05812	0.2
181.06450	0.2
182.03708	0.3
183.04459	1.0
183.92107	0.2
184.05345	0.3
185.06059	0.9
195.04486	1.8
196.05328	1.4
197.06084	2.9
198.03239	0.6
199.03969	1.6
201.05573	2.9
208.05238	0.9
211.04016	1.2
212.04726	0.4
213.05557	4.5
223.04036	1.5
224.04784	2.3
225.05539	2.9
226.02708	0.6
227.03510	2.5
239.03522	0.5
240.04256	1.0
241.05075	3.8
251.03374	0.5
252.04369	0.6
267.02957	0.3
268.03751	0.5
269.04535	100.0
269.24811	0.5
270.04889	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	269.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
57.03444	0.6
59.01372	1.1
59.13154	0.4
69.16061	3.2
71.01382	3.5
73.02946	0.8
78.95929	0.3
81.50774	0.4
83.01434	0.4
85.02968	0.9
87.00878	0.5
87.30033	0.3
93.03473	1.2
96.96007	0.8
96.96992	0.4
98.19895	0.8
99.00882	2.3
101.02444	2.5
102.11452	0.3
107.01379	0.7
113.02457	0.7
117.03484	0.4
119.95558	0.3
121.02962	100.0
122.03306	2.0
125.02448	1.4
137.02470	0.8
137.06102	0.4
137.09718	0.8
140.98468	0.3
147.03003	7.1
161.04553	0.4
169.01413	1.1
169.06535	0.4
170.36057	0.3
176.01141	0.4
225.05634	0.7
237.47383	0.4
269.04510	6.0
269.06790	0.5
269.10306	1.6
269.13663	0.5
269.21234	1.2
269.24863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0455
Annotation	Apigenin
Peak:m/z	Relative Intensity
51.60158	0.2
63.02394	1.8
63.42418	0.2
65.00321	3.7
66.00136	0.2
70.49001	0.4
70.49393	0.7
72.94928	0.2
73.40393	0.2
81.03458	0.3
83.01388	1.9
87.04524	0.3
91.01870	0.2
93.03454	0.4
105.03446	1.1
107.01388	6.8
107.22538	0.2
108.01739	0.3
109.02967	0.2
112.14485	0.2
117.03465	26.4
118.03806	0.7
121.02946	1.8
133.02982	1.0
149.02443	10.5
150.02795	0.4
151.00374	9.7
152.00681	0.3
153.01877	0.3
155.07117	0.4
157.06563	0.3
159.04520	2.1
169.01451	0.3
169.06572	0.5
180.05804	0.7
181.06642	1.5
182.03740	0.3
183.04506	1.6
185.02402	0.7
196.05168	0.4
197.06013	0.9
201.05609	2.3
213.05698	0.4
224.04788	0.6
225.03453	0.4
225.05545	4.8
225.14948	1.5
226.02896	0.2
227.03508	2.3
241.05110	0.6
269.04547	100.0
269.21219	0.8
269.24811	0.7
270.04889	6.9
280.53049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.8
57.03451	3.0
58.00603	2.1
59.01379	40.5
60.08264	0.5
67.01862	0.4
71.01382	20.3
71.01782	1.0
71.50501	0.6
72.99307	2.5
73.02949	1.0
75.00881	2.0
80.96525	0.6
83.01382	1.2
85.02949	25.6
86.03304	0.5
87.00873	2.0
88.04031	0.4
89.02446	21.8
95.01379	2.0
101.02439	13.9
103.04012	34.6
104.04364	0.6
113.02446	8.7
117.05563	1.1
119.03498	9.2
121.06603	0.7
123.04485	0.5
125.02422	0.6
129.05574	1.2
131.03465	0.4
143.03502	0.5
145.05037	1.2
161.04591	0.9
163.33160	0.4
179.05603	1.3
190.94269	0.5
191.05598	1.6
221.08177	0.4
252.53912	0.5
265.09280	100.0
266.02856	0.6
266.09619	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	265.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	0.3
79.95719	2.4
88.60420	0.3
94.37141	0.3
95.95256	0.6
96.96013	100.0
98.20720	0.5
101.34489	0.4
112.79056	0.2
128.73927	0.3
134.01433	0.3
148.98775	0.4
151.28931	0.3
231.15259	0.3
265.14777	76.0
266.15131	3.9
283.54028	0.3
285.47354	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
62.91856	0.3
69.69286	1.9
71.01370	0.6
78.95908	44.1
80.91079	0.3
86.52408	0.3
89.45202	0.4
90.51015	0.3
96.96966	100.0
98.20648	0.4
101.02467	0.5
105.01921	0.5
110.08365	0.3
123.00846	0.4
132.24095	0.4
179.87750	0.3
202.57211	0.4
205.08542	0.3
267.06216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67065	0.4
74.48077	0.4
80.86330	0.4
87.00845	0.4
87.99106	0.4
91.80244	0.4
96.96969	0.5
98.19839	0.8
98.97381	0.7
107.01394	31.3
108.01709	0.5
111.00888	0.6
123.00871	0.7
124.01704	0.5
125.02450	46.4
126.02784	1.3
128.84721	0.5
132.02176	1.1
133.02940	0.5
139.00375	0.5
140.01215	0.6
160.01628	1.8
169.01424	100.0
170.01775	3.3
196.05276	0.5
197.06065	1.0
201.05492	0.9
224.04790	1.1
225.05614	2.4
227.03500	0.5
240.04366	0.6
241.05095	1.7
269.02405	0.6
269.04974	5.5
270.04889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0716
Annotation	Luisol B
Peak:m/z	Relative Intensity
53.28505	1.5
65.00334	3.4
67.01901	2.1
68.99815	2.2
69.63225	7.0
71.01384	2.7
72.29831	1.6
72.99304	2.8
82.00568	2.9
83.01370	3.3
84.02155	4.4
85.06552	2.0
95.01407	2.4
95.05006	9.9
110.00089	4.3
111.00882	24.7
113.06086	15.0
115.39297	1.5
123.00905	16.4
124.01664	27.5
125.02454	8.7
127.00367	11.0
136.98816	17.0
139.00381	29.1
140.01166	45.8
141.01836	1.9
151.00365	25.4
154.99876	2.8
168.00641	100.0
169.00995	1.9
176.28638	1.7
177.05557	7.6
193.08632	1.8
203.07187	9.2
215.23431	1.8
221.04616	9.9
221.08139	16.3
265.07169	81.8
266.07455	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	265.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78306	0.5
54.65271	0.5
57.03446	3.0
58.00580	1.0
59.01381	39.9
66.51075	0.5
71.01383	19.0
71.20609	0.9
72.99288	1.3
73.02929	0.7
75.00865	2.0
82.83360	0.5
83.01370	1.1
83.63945	0.5
85.02952	21.9
87.00879	1.7
87.04470	0.6
89.02449	20.5
95.01393	1.8
99.04537	0.7
101.02444	13.7
103.04015	37.6
113.02456	7.4
117.05533	0.7
119.03500	8.7
126.77372	0.6
129.05553	1.0
145.05069	1.2
156.39719	0.5
161.04544	0.6
171.29321	0.6
179.05614	1.9
191.05692	0.9
204.05351	0.5
217.11592	0.5
265.09274	100.0
266.09689	3.8
281.29953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0561
Annotation	Ancistroquinone D
Peak:m/z	Relative Intensity
52.40856	0.7
54.00408	0.7
59.01357	1.2
67.33099	0.7
68.99792	0.8
71.01371	2.5
71.28818	1.2
87.81237	0.8
93.03442	1.2
95.01368	4.5
95.05029	11.8
96.96014	8.7
99.00867	1.1
107.05083	0.9
110.00082	2.6
111.00871	3.7
113.02462	0.9
117.07058	1.0
119.05006	3.0
121.02963	1.5
121.06587	2.8
123.00880	28.9
124.01675	23.5
128.98575	0.8
131.05009	1.1
133.02968	1.2
133.06606	1.6
134.03723	1.4
135.00908	1.3
135.04570	1.2
135.47935	0.8
137.02444	2.4
143.05029	1.2
145.02924	1.7
145.06593	5.3
146.03738	9.9
147.00882	1.1
147.04506	3.0
147.08107	2.8
148.01601	0.9
149.06023	1.5
157.06554	1.5
158.03716	3.0
159.04459	2.2
160.01657	2.5
161.02437	9.5
162.03233	11.0
163.00330	0.9
163.04016	2.6
171.04564	1.7
173.02374	1.3
173.06070	11.7
174.03206	1.6
175.03973	8.2
175.07635	8.8
176.01056	0.8
176.04713	2.7
177.05568	1.8
186.03215	1.1
188.01158	0.9
189.01953	1.7
189.05600	6.2
190.02711	100.0
191.03181	6.0
191.07179	6.3
199.03976	2.2
201.05574	8.3
202.06215	1.5
203.03404	1.1
204.04276	2.1
207.02989	1.5
217.05013	5.5
219.02995	3.7
219.06606	50.7
220.06999	2.3
227.03435	1.9
234.01753	0.8
235.02591	2.1
245.04520	16.8
246.04877	1.1
263.02109	4.3
263.05585	87.3
264.05887	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	263.1651
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
51.41772	0.2
56.70494	0.2
59.01374	0.3
69.36916	1.4
71.01401	0.4
80.02749	0.3
81.03489	0.4
95.05016	0.2
98.19858	0.5
104.95639	0.2
108.02173	7.1
121.02964	0.8
122.03735	31.9
123.00840	0.6
123.04011	0.5
124.01666	1.7
135.04533	1.2
136.00720	0.4
136.01671	4.0
137.02380	0.2
147.00764	0.3
149.06070	0.3
170.69167	0.2
190.99881	0.3
219.13878	0.4
233.15553	0.2
235.17029	0.7
261.14941	1.0
263.16495	100.0
264.16846	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	265.0354
Annotation	Kynapcin 13
Peak:m/z	Relative Intensity
54.31253	0.5
57.57855	0.6
61.82140	0.6
63.25958	0.6
69.18934	2.7
69.19357	3.5
77.03939	0.8
83.31466	0.6
85.02953	0.7
87.15574	0.5
89.03944	1.7
93.03441	1.9
95.01346	1.0
95.05018	1.4
96.95966	1.3
105.03451	6.8
108.28121	0.6
117.03442	2.3
119.01396	1.7
121.02937	5.5
123.00835	1.3
123.04497	2.9
124.01624	1.0
132.02162	1.2
133.02963	14.9
147.04356	0.8
149.02438	10.3
150.02885	0.6
151.04002	3.8
159.00842	1.3
160.01656	1.6
161.02449	35.1
162.02948	1.4
163.00385	1.9
163.04034	0.8
176.01115	1.9
177.01929	79.2
178.02350	2.6
187.00352	0.7
189.01935	23.5
190.02660	3.1
190.99854	1.9
192.00671	3.1
193.05035	1.6
203.07187	2.7
205.01424	26.4
206.02042	1.9
214.99860	1.0
221.00862	1.0
221.04391	0.7
221.08197	1.9
233.00900	100.0
234.01277	4.1
237.04037	4.0
265.03534	87.1
265.07050	7.1
266.03961	3.9
266.06354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02985	0.6
59.01384	4.6
59.89429	0.4
65.71909	0.5
70.02982	10.2
70.48649	0.5
70.79417	1.0
72.04543	4.3
74.02472	100.0
75.02824	0.8
84.04540	1.4
88.04565	0.6
98.02475	26.1
98.07099	0.6
116.03537	52.2
128.03549	5.7
132.04555	31.6
133.02899	0.6
133.04924	1.0
133.57547	0.5
144.04533	6.4
145.02933	0.9
150.03227	0.7
158.06128	0.6
161.02432	0.7
168.60858	0.5
173.02397	1.0
174.03233	0.9
175.08728	1.7
177.01926	4.2
179.74117	0.6
189.01900	1.0
190.02600	1.1
201.01996	1.4
201.06688	12.8
205.01370	1.3
217.01190	0.9
217.09837	1.0
218.02222	1.2
219.07784	3.0
229.01334	1.5
233.04510	4.3
243.07755	0.9
245.68062	0.6
261.00400	2.4
261.04022	14.3
261.08752	21.7
262.04480	0.7
262.09000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0073
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
55.68475	0.7
69.71859	3.9
72.99315	14.1
74.02473	1.2
75.00889	1.8
79.95732	6.8
80.96502	2.1
81.03448	2.0
93.02866	1.3
93.03460	24.8
96.96000	2.5
107.05006	2.3
116.03488	0.8
119.05027	45.3
120.05347	1.2
134.03716	1.3
135.04529	28.9
137.06061	1.2
163.04013	38.4
164.04407	1.3
181.05066	87.4
182.05385	2.7
199.00690	16.2
200.00983	0.9
210.62059	0.7
215.00177	7.7
261.00720	100.0
262.01038	2.6
282.19659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18704	0.9
57.03449	25.8
59.01371	1.4
68.48602	0.8
68.60783	0.9
69.03441	2.3
69.44341	3.1
69.44764	3.3
71.01376	1.1
71.05029	1.5
73.02924	1.2
79.01791	0.8
81.03455	1.3
82.02953	1.2
83.05025	5.6
85.06593	4.4
95.01366	1.2
95.05018	1.8
95.08642	1.4
97.02964	1.1
97.06567	1.5
98.03730	9.5
99.00886	1.0
101.02454	3.8
109.06580	1.9
111.08160	1.7
115.04026	1.3
123.08146	3.9
124.05305	9.8
125.02418	1.8
129.05563	1.4
129.69133	1.0
137.09706	12.6
138.06847	6.6
139.07648	27.7
139.11328	1.4
140.08237	1.0
149.09679	3.1
151.07635	1.1
151.11295	1.4
153.09218	19.1
155.10777	100.0
156.11095	3.4
165.12843	2.6
169.01414	2.2
177.09131	1.1
179.10809	1.3
181.12389	1.0
182.16599	1.0
185.15422	3.8
195.13896	17.4
199.06403	0.9
199.09773	3.4
213.14951	57.8
214.15256	3.0
217.51039	0.9
219.24248	0.9
225.33182	0.9
239.09227	1.0
249.81416	1.2
257.10339	4.6
257.13922	58.3
257.23859	2.3
258.14218	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	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80386	2.4
59.01378	100.0
70.97260	3.9
71.01350	2.9
79.01154	2.0
90.13582	1.9
97.22735	2.0
101.02452	1.7
139.23085	2.0
160.50658	2.1
182.83093	2.2
191.46584	1.9
193.74487	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	253.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.01367	2.3
74.03992	1.8
93.88016	1.6
101.02477	1.8
191.41263	1.8
193.03589	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	254.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55785	1.7
59.01379	6.1
61.98832	100.0
66.26897	1.4
70.25565	1.2
71.49833	2.0
74.99088	4.3
87.00851	3.8
89.00663	5.4
148.06824	1.4
149.02774	3.8
167.03798	5.6
255.05446	9.7
255.23328	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	255.0147
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00356	1.7
67.01922	0.6
81.03457	3.1
85.03001	0.9
89.00359	0.6
94.00660	0.9
95.01393	15.7
107.01389	15.4
109.02951	5.0
110.00092	2.7
120.99397	1.6
121.02986	2.2
122.00150	1.9
123.00895	8.2
124.01738	1.0
137.02446	2.9
141.01929	0.5
148.98816	1.5
149.99611	5.2
151.00369	40.6
152.00935	0.8
153.01930	6.9
165.01950	3.9
165.99098	2.6
169.01550	0.8
176.96843	0.6
176.98291	1.2
177.99014	0.6
178.99883	3.8
181.01407	7.8
183.03041	6.0
194.99319	0.6
209.00911	15.4
210.01256	1.0
211.02408	2.8
219.83151	0.6
227.02005	0.9
237.00403	100.0
238.00717	5.2
255.01453	62.8
255.04225	1.4
255.08708	0.9
255.23257	8.2
256.01764	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	255.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
58.00453	1.2
69.46021	2.7
69.46434	6.4
74.02471	1.8
77.03957	4.9
87.61028	1.1
93.03461	9.9
95.05016	16.2
105.03432	6.7
108.02175	15.1
109.02962	13.2
117.03457	1.2
121.02953	58.4
122.03310	2.6
123.00900	1.2
123.04524	87.8
124.04844	2.7
124.95088	1.3
125.02404	1.2
132.02141	3.1
133.02951	43.5
137.09764	1.6
138.06892	2.4
139.07991	1.2
145.02965	16.9
146.03735	20.1
147.04471	2.6
148.01665	100.0
149.02438	80.5
150.02797	2.2
153.09209	5.8
157.06525	1.5
161.02383	2.3
163.10202	1.1
169.06583	1.7
181.06535	2.9
182.07280	2.1
183.08156	4.3
185.06091	5.3
193.06541	2.0
195.04497	1.3
197.08063	2.5
209.06116	8.2
210.06631	1.5
211.07619	4.8
211.13342	3.4
213.05574	3.9
227.07141	30.6
228.07301	1.2
236.04636	1.6
237.05548	21.1
238.05867	1.2
255.06616	90.3
255.12254	5.5
255.23285	39.2
256.06927	5.5
261.86029	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	255.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	17.7
58.03751	0.6
59.01403	0.6
68.66863	0.6
69.03464	1.3
69.39375	2.9
69.39794	1.9
83.05007	1.3
85.02977	0.6
95.01349	0.8
95.05034	4.2
97.02963	3.3
97.06589	0.8
98.19831	0.6
99.08187	0.6
101.02455	2.3
108.02188	1.3
109.03001	1.1
109.06590	9.2
111.04510	1.7
111.95716	0.5
121.02974	4.0
121.06618	0.9
122.03714	1.7
123.04542	6.4
123.08160	2.7
123.35258	0.7
125.71018	0.7
133.02951	2.1
133.66881	0.6
135.08160	9.3
136.05252	2.0
137.06058	1.5
137.09712	4.7
138.06865	44.3
139.07259	1.1
145.02959	0.9
146.03770	1.2
148.01677	6.2
149.02470	5.5
149.09744	0.8
151.07660	0.8
153.09212	100.0
154.09525	3.6
159.08160	0.7
165.12881	1.0
175.11279	2.8
177.09222	1.5
183.13899	3.7
193.12318	12.5
199.45801	0.8
211.13385	35.1
212.13799	1.6
227.07143	1.9
237.05405	1.0
255.06657	7.5
255.12357	27.6
255.23273	20.4
255.25946	1.3
256.12662	1.4
256.23572	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	30.1
70.02987	9.3
70.84186	7.1
70.84525	6.4
72.00896	12.0
82.61727	4.1
91.05537	10.5
94.27139	4.0
99.85670	5.0
130.00526	4.6
135.06006	4.3
147.04532	42.4
154.95656	3.7
164.07155	100.0
206.08208	83.6
250.14461	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	253.0717
Annotation	Sporovexin B
Peak:m/z	Relative Intensity
50.86833	0.7
59.01378	53.4
71.01387	1.7
71.51382	1.0
71.51764	0.8
89.02466	1.7
92.02679	1.5
93.03434	2.2
96.02340	0.9
101.02435	2.1
106.04257	3.0
108.02203	1.3
119.04998	0.8
121.02951	9.7
121.06571	1.0
130.04218	1.4
131.05020	36.0
132.05367	1.3
143.29033	0.7
145.06581	1.0
147.04507	1.0
147.08163	34.2
148.08484	1.2
149.06076	100.0
150.06374	3.9
161.04529	1.2
191.07133	28.3
192.07439	1.6
193.05009	7.1
193.07106	2.5
209.08179	15.2
210.08586	0.9
217.65549	0.8
235.06107	3.1
253.07147	94.8
254.07545	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	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
50.08926	0.1
61.57405	0.1
69.18549	1.5
75.80879	0.1
105.10958	0.2
111.73589	0.2
121.02945	0.2
184.00146	0.7
191.00926	0.2
202.99902	0.2
205.16010	0.4
220.17108	0.2
231.13911	0.5
247.02492	0.5
247.17014	100.0
248.07988	0.5
248.17355	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	249.0767
Annotation	azanigerone E
Peak:m/z	Relative Intensity
52.48769	0.7
57.08465	0.6
59.24679	0.6
61.98838	0.8
65.00313	1.1
67.01883	2.3
69.03445	1.5
71.01385	0.9
79.01889	4.3
95.01384	5.6
95.05029	1.2
97.02954	1.8
97.06587	100.0
98.06919	2.5
98.20692	1.4
111.00844	1.0
119.16093	0.7
123.00885	59.4
124.01212	0.9
125.02444	8.6
136.98741	0.8
139.00362	16.7
140.01160	1.6
141.01933	7.9
149.02448	2.5
151.00365	83.0
152.00703	2.8
153.01939	12.4
161.06084	1.3
176.01105	1.5
177.01939	1.8
191.03323	1.1
203.07135	8.9
205.05052	7.6
221.00905	2.8
221.08174	7.8
248.96944	0.9
249.07658	64.8
249.14902	1.9
250.08002	2.4
250.14505	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	249.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70736	0.6
58.02982	5.5
59.01372	2.3
71.01391	2.4
73.02936	0.8
83.01393	1.0
85.02960	1.7
88.04055	0.8
92.05055	4.1
95.01414	0.8
96.96001	0.6
98.20692	2.7
99.00919	1.1
101.02455	2.9
113.02451	1.1
116.05099	3.0
117.03477	2.9
118.06637	14.5
118.07482	0.7
128.05075	17.0
131.03787	12.5
132.03040	1.5
134.06058	0.8
135.04355	0.6
144.04558	100.0
145.04897	3.6
146.06126	43.4
147.06465	1.6
149.02501	1.2
161.02481	3.1
161.04602	1.0
161.06050	0.9
164.07176	1.0
171.28767	0.7
172.04030	8.8
177.01912	1.5
190.05104	65.5
191.05441	2.7
205.01552	0.8
205.05110	0.9
221.01001	1.2
229.57500	0.7
230.18825	0.7
249.00462	1.5
249.04005	2.0
249.08403	3.1
250.14516	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	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16881	0.5
55.94805	0.5
59.01374	1.3
62.36370	0.5
68.49158	0.6
69.77232	2.8
70.02983	1.0
71.01382	5.9
88.04042	87.7
89.04359	0.7
91.05532	3.0
96.99325	0.8
98.20668	0.6
114.01967	5.0
115.00371	14.3
132.03029	100.0
133.03366	1.5
134.06125	0.8
135.04520	4.5
151.21909	0.5
155.98067	0.5
206.08260	1.9
214.74072	0.6
243.33249	0.6
250.07195	16.8
251.07466	0.6
270.22348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03967	0.2
69.29842	1.2
72.97420	0.2
91.05556	0.3
93.03445	0.2
96.70793	0.1
103.05557	0.3
105.03443	0.4
105.14636	0.1
107.04999	0.5
109.98519	0.1
112.42696	0.2
117.03426	0.4
119.05016	1.7
121.02958	0.4
129.03503	0.3
130.04280	0.3
131.05014	0.3
132.02130	0.2
133.02950	0.6
135.04521	1.4
145.02953	3.5
147.04514	3.8
149.02409	0.3
159.04480	0.5
161.02417	0.6
162.03218	0.2
163.03999	2.3
173.02425	3.7
174.03157	0.9
175.04001	2.6
176.01225	0.3
177.01920	0.5
189.01912	0.6
190.02725	3.4
191.03494	13.6
192.00671	0.3
192.03864	0.5
201.01897	0.6
202.02719	0.3
203.03487	1.3
204.00717	0.3
205.01384	0.5
217.01381	0.3
218.02179	0.6
219.02983	6.2
220.03305	0.3
224.31651	0.2
229.01506	0.3
230.01799	0.2
232.11189	0.1
238.82317	0.1
246.01596	0.6
247.02458	100.0
248.02809	5.3
252.15723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.061
Annotation	Misakimycin
Peak:m/z	Relative Intensity
53.86954	0.4
59.01392	0.4
59.75437	0.4
71.01398	0.6
71.51639	0.7
91.01929	0.6
94.27308	0.5
106.04238	3.1
119.01389	0.6
119.08686	0.4
121.02956	1.1
129.01895	0.4
133.02977	1.4
134.03780	0.9
135.08163	0.5
138.03236	0.6
145.02966	1.3
145.06584	1.2
146.03763	1.3
147.00877	1.8
147.08244	0.6
158.03816	0.4
159.04396	0.5
161.02440	4.2
162.03207	0.5
163.07632	0.9
173.02443	1.9
173.06041	4.1
175.00407	1.3
175.04016	0.9
175.07645	2.0
176.01190	1.9
177.01996	0.4
186.03217	0.7
186.95578	0.8
187.04048	0.9
188.04836	0.8
189.01938	29.0
190.02716	88.3
191.03146	5.0
191.07108	2.3
192.00645	1.3
201.02005	0.7
201.05563	3.5
202.99858	3.0
203.03511	9.0
203.14452	0.7
204.04135	1.0
217.01375	1.3
218.02196	69.6
218.05779	4.2
219.02850	3.7
219.06613	26.2
220.06924	1.0
246.99033	5.0
247.02576	3.3
247.06102	100.0
247.13123	2.3
248.06471	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	246.9884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42426	0.3
59.01361	0.4
63.02380	0.4
65.00324	1.2
68.99842	0.4
69.17776	2.6
71.01373	0.7
75.02405	1.5
75.62108	0.3
79.01883	0.8
85.02970	0.3
91.01897	15.3
92.02235	0.5
92.74065	0.3
93.03470	0.8
103.01942	0.5
119.01389	14.1
120.01752	0.4
121.02963	1.4
129.01918	0.6
131.01375	1.0
147.00885	37.3
148.01218	1.2
165.01923	0.5
168.06201	0.3
175.00360	15.3
176.00740	0.8
189.01900	0.4
190.02708	2.5
190.99829	1.2
191.03532	0.6
202.99863	60.3
204.00197	2.4
218.02269	1.6
218.99341	0.6
219.02914	0.6
219.06651	1.0
220.73787	0.3
246.98830	100.0
247.05815	2.8
247.99203	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	246.9886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54050	0.4
50.76505	0.4
52.70889	0.4
63.02425	0.7
65.00333	1.0
66.31328	0.4
69.38371	3.6
73.55659	0.5
75.02407	1.8
79.01859	0.5
83.68096	0.4
84.57192	0.4
91.01904	13.5
92.02187	0.6
93.03476	1.1
99.19159	0.4
103.01888	0.6
116.22817	0.5
119.01393	13.0
120.01724	0.5
121.02938	0.8
131.01361	0.5
147.00891	34.4
148.01228	1.3
152.52815	0.4
162.03221	0.5
163.00313	0.5
165.01987	0.6
168.61836	0.5
175.00378	16.9
176.00702	1.2
189.02019	0.5
190.02690	1.1
190.99846	1.4
191.03452	0.9
202.99864	68.7
204.00204	2.9
218.02150	0.8
219.02942	0.6
219.47380	0.4
226.78938	0.4
226.81117	0.4
246.98834	100.0
247.02361	2.7
247.06039	2.0
247.13353	1.0
247.99170	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	245.0429
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
53.21648	0.4
57.01883	0.4
71.50567	1.0
78.95904	100.0
81.64116	0.5
90.00284	0.5
96.96955	8.6
112.98711	0.5
150.98035	1.3
152.99583	71.6
153.99962	0.9
157.04370	0.5
171.00636	31.0
172.33369	0.4
191.21814	0.5
201.05595	0.6
245.04308	68.9
246.04626	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	245.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33784	0.9
56.72759	0.9
58.02979	21.5
69.15157	10.1
70.02974	15.7
72.00922	5.6
72.04543	3.3
74.02474	100.0
77.29568	1.0
90.93070	0.9
98.02480	23.2
101.12189	1.2
106.29668	1.6
107.49915	1.0
116.03545	27.1
116.05058	35.9
116.13132	1.1
130.06612	3.9
142.06612	9.5
159.09283	6.5
183.09245	1.7
192.42130	1.0
201.10359	6.7
203.08272	84.7
204.08640	4.2
207.29820	1.0
245.09303	77.4
246.09648	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	245.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.5
58.00590	5.7
59.01385	20.0
65.00335	1.6
71.01385	13.3
71.50134	1.8
72.02168	2.9
72.99306	1.9
73.02946	4.1
75.00876	1.8
80.02686	1.2
83.05001	1.5
84.36449	1.3
85.02927	2.6
87.00887	17.2
89.02449	11.0
95.05006	2.7
97.06586	15.4
99.08181	9.5
101.02468	1.8
105.01935	4.1
107.05008	1.6
108.02177	3.0
109.06631	5.9
111.08152	2.0
112.01678	1.5
116.07172	1.4
119.31655	1.2
125.06101	3.7
127.07663	100.0
128.08011	3.0
129.01961	3.0
129.09222	6.6
129.10155	1.1
130.08757	6.6
137.06113	7.4
139.07674	10.8
144.00621	1.6
145.03052	1.2
147.03027	2.3
149.06126	1.4
152.99532	1.6
155.07155	47.2
156.07574	1.5
157.08743	2.4
161.02426	1.5
166.01447	1.1
167.07120	1.7
169.08788	1.6
179.90311	1.2
185.08168	5.4
185.42967	1.3
189.01918	2.3
197.08307	1.6
217.01428	3.9
236.00296	1.2
244.96700	1.3
245.00951	7.1
245.04745	1.7
245.08263	1.2
245.10217	7.2
266.63318	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	246.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	2.4
69.91296	0.6
78.95911	1.1
96.96955	1.4
107.05035	0.8
119.05033	1.7
133.02983	0.8
135.04539	1.1
145.02951	3.5
147.04492	3.5
157.59032	0.6
163.03990	3.2
173.02499	3.1
174.03180	0.8
175.03983	2.2
177.02008	0.7
183.03062	1.0
189.01817	0.8
190.02649	4.8
191.03514	14.8
201.01878	0.7
203.03552	1.3
218.02080	2.7
219.02994	5.6
229.60284	0.7
246.01520	2.4
246.08397	0.8
247.02463	100.0
248.72223	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71627	1.9
61.98829	3.6
62.07278	1.4
63.92135	1.3
72.99279	1.6
73.51078	1.7
97.64300	1.6
118.48869	1.4
119.05067	2.0
135.04573	1.8
145.02962	3.0
147.04497	3.7
163.04018	2.0
167.81604	1.6
173.02470	3.6
175.04010	2.7
175.23895	2.0
183.02934	4.1
190.02682	5.5
191.03508	13.8
218.01971	2.9
219.02945	5.4
246.01413	3.6
247.02480	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
51.33319	1.0
57.03436	0.9
58.46711	0.9
60.95110	1.0
71.01404	1.1
71.05017	5.0
73.02938	1.6
81.69002	0.9
97.02942	7.0
97.06608	1.8
99.00887	25.2
109.02895	1.4
109.06615	1.6
110.03706	2.2
111.00910	1.5
123.08188	1.3
125.09719	6.7
127.11295	1.0
135.43616	1.0
136.05298	1.4
142.02701	3.5
153.12891	1.2
155.14436	1.5
159.04633	1.4
159.96942	1.1
163.11284	12.9
171.04541	1.3
181.12349	29.6
182.12758	1.3
197.11920	1.9
199.13400	21.8
207.10260	53.8
208.10645	2.2
225.11325	100.0
226.11667	5.7
242.99330	1.2
243.02974	13.5
243.07018	4.9
243.12366	94.1
244.12669	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	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
55.38917	1.0
57.03442	2.9
59.01381	59.1
60.22317	1.0
62.21497	1.0
63.02716	1.3
67.27274	1.0
69.24543	2.2
69.24944	8.9
71.01360	1.4
71.05003	1.4
73.02945	3.2
97.02934	1.6
98.19844	1.9
99.00880	4.8
99.34850	1.1
110.00159	1.4
110.02491	1.4
111.00872	3.9
114.03071	1.0
123.00892	9.2
125.09743	2.1
127.11262	1.5
136.98882	1.3
139.00337	2.5
139.11290	39.0
140.01184	1.1
146.74931	1.1
151.00377	5.7
154.99792	1.1
163.11238	3.6
167.01663	6.4
169.01353	1.2
181.12341	25.8
182.02174	1.4
182.12697	1.8
183.02975	24.3
183.10254	48.4
184.03310	1.8
184.10629	2.4
184.51572	1.0
199.13374	26.0
207.10252	12.9
225.11307	39.8
226.11693	1.7
243.02953	2.9
243.12357	100.0
244.12729	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	100.0
56.02216	1.7
59.01388	1.8
64.60146	0.6
69.03448	0.7
71.01391	1.4
71.54372	0.6
73.02962	2.7
75.18106	0.5
79.05544	1.0
85.02969	1.1
87.04514	54.3
88.04860	0.9
93.03477	1.4
94.67101	0.6
101.02453	1.4
105.07096	0.9
106.04266	0.6
108.11663	0.7
113.02471	1.1
113.06116	0.9
120.05756	0.6
121.03003	0.8
133.10228	1.0
134.38359	0.6
143.08694	2.0
144.05832	1.5
146.07394	2.1
159.08157	11.6
160.08591	0.8
161.09712	42.7
162.10078	2.0
164.98322	0.6
193.12468	2.0
205.08798	0.9
237.00584	0.8
237.11322	7.9
237.15059	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	239.0562
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
55.01872	0.5
59.01394	0.7
62.34552	0.1
63.02400	0.7
65.00324	0.3
65.38421	0.1
68.83727	0.1
68.99819	0.1
71.01376	0.3
71.51975	0.2
87.00890	0.2
95.01395	0.2
95.05048	0.4
96.02184	0.5
97.02952	3.2
98.03260	0.1
99.00887	7.7
111.00891	0.2
121.02999	0.2
123.00891	0.3
124.01669	40.1
125.01991	1.2
134.03757	4.5
137.02449	0.2
139.04019	100.0
140.04355	2.6
148.99039	0.1
152.01161	13.6
152.04742	1.0
153.01495	0.5
161.02454	2.7
161.04539	0.3
162.03235	6.2
163.03809	0.3
165.01970	0.8
173.50891	0.1
177.05582	9.8
178.05904	0.4
179.03506	0.5
179.05673	0.8
180.04298	15.4
181.04631	0.5
195.06638	17.2
196.07004	0.6
200.29732	0.1
221.04514	0.3
239.05612	15.8
240.05934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99609	3.2
59.01380	100.0
65.99769	2.4
70.05303	10.2
71.01391	5.2
72.53917	2.3
73.01136	2.5
83.83669	2.4
85.02953	7.8
87.00877	24.7
89.02473	2.6
99.00871	3.1
101.02464	3.0
117.01953	5.0
125.02466	4.1
155.47557	3.0
161.04559	21.2
169.22684	2.5
171.59743	2.7
179.05612	92.7
221.06619	2.8
239.02460	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	239.1288
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
50.50581	0.6
52.81688	0.8
53.79677	0.8
56.56001	0.7
57.41133	0.7
59.01380	2.0
70.78207	1.5
71.08611	0.6
72.41673	0.6
75.68808	0.6
77.39536	0.7
79.47042	0.8
84.01526	0.7
94.95591	0.6
95.05066	1.2
98.89973	0.6
99.92145	0.6
101.06089	9.1
109.06579	5.3
111.08169	4.9
123.00850	0.7
124.60258	0.7
125.09749	0.7
135.11815	0.8
138.06786	1.1
139.04018	14.8
154.06360	34.4
155.06760	1.8
161.04594	0.9
167.14406	10.8
168.14746	0.7
179.05597	1.6
179.10811	4.0
182.05859	3.1
188.49173	0.7
195.13898	100.0
196.14200	4.8
239.12814	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	243.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63424	0.4
58.10644	0.4
59.01381	5.5
67.01894	1.0
68.99821	0.9
70.36029	0.9
70.36423	0.8
71.01378	2.1
72.99298	0.9
79.01893	0.6
80.00163	0.4
83.01389	0.9
87.00878	1.2
88.04047	0.5
89.02422	1.8
91.04015	1.9
95.01391	1.2
95.04987	0.5
97.02952	0.5
97.06554	0.7
101.14470	0.4
107.01389	4.9
107.05112	0.4
110.00101	1.0
111.00890	5.2
111.08115	0.4
116.07171	0.8
116.67036	0.4
123.00891	4.2
124.01660	3.3
125.02446	18.6
125.06110	0.5
126.02826	0.6
127.00359	2.3
136.98773	3.7
139.00385	5.8
139.04013	1.5
140.01151	7.7
151.00360	2.8
153.01901	0.8
153.05568	1.8
154.99817	0.8
155.07094	0.8
168.00620	8.4
169.01414	31.9
170.01750	1.0
183.06635	1.4
199.00548	0.5
225.04190	0.6
228.04489	0.4
243.05075	100.0
244.05360	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	237.0768
Annotation	4-Epiradicinol
Peak:m/z	Relative Intensity
58.00599	0.5
59.01377	0.8
65.00335	2.4
67.01896	1.9
68.99824	1.9
71.01389	2.6
72.99303	3.2
74.06573	0.6
82.00619	2.1
83.01376	3.3
87.00890	1.5
88.06976	0.6
88.96139	0.5
95.01376	1.3
96.99296	0.8
98.20727	1.1
99.00886	1.1
101.17359	0.6
106.00611	1.3
110.00126	3.9
111.00887	23.1
124.01653	16.2
125.02485	3.3
127.00380	9.0
127.01215	0.8
136.98816	17.5
138.99316	1.3
139.00377	21.9
140.01163	38.3
154.99881	3.7
155.12309	0.5
164.04744	0.7
168.00647	77.9
169.01369	3.9
189.80898	0.7
193.08731	10.1
194.08989	0.8
204.34874	0.6
237.07684	100.0
238.08040	4.4
259.79059	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0768
Annotation	4-Epiradicinol
Peak:m/z	Relative Intensity
51.62164	0.4
55.01879	0.9
55.80715	0.5
59.01388	0.7
60.99299	0.5
65.00331	2.2
66.29477	0.4
67.01894	2.4
68.99822	2.4
70.63078	0.4
71.01395	2.9
72.99290	3.0
78.01124	0.8
82.00613	1.9
83.01385	3.4
86.00097	1.2
87.00866	1.5
95.01418	1.0
96.99325	1.9
99.00919	1.1
106.00610	1.7
110.00091	4.5
111.00880	27.1
112.98863	0.5
123.00901	1.2
124.01648	18.8
124.98862	0.9
127.00376	9.8
136.98807	18.9
138.99496	0.6
139.00368	26.1
140.01157	42.9
141.01495	0.9
154.99834	3.0
168.00638	74.6
169.00969	2.5
193.08656	1.0
237.07675	100.0
238.08022	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	237.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16676	2.2
55.01883	10.6
57.03447	5.7
58.00573	2.5
59.01383	74.7
65.17676	1.9
71.01386	87.7
71.49451	2.4
72.99310	4.1
73.02950	32.1
74.99091	4.1
75.00867	6.9
78.66103	2.0
78.95910	4.9
82.76655	2.4
83.01403	18.6
85.02957	57.2
87.00880	9.9
89.02438	9.3
95.01381	9.0
99.00883	12.3
101.02450	100.0
113.02466	35.1
115.00391	2.9
119.03544	3.4
120.99629	3.1
123.44836	2.1
125.12675	2.1
143.03502	4.7
159.02992	8.0
161.04558	35.1
237.09778	18.3
250.35468	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	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.66712	0.3
59.01388	2.0
59.96723	0.7
60.97517	0.6
61.69939	0.2
63.75825	0.2
72.01246	0.3
73.24929	0.3
74.99071	9.1
75.73719	0.3
91.02213	1.0
93.00131	2.2
93.03455	0.5
93.92654	0.2
104.86076	0.3
108.00616	0.3
118.96239	1.4
127.33392	0.3
134.42618	0.3
134.99400	7.8
135.99432	0.3
136.97311	2.0
141.07501	0.3
143.05315	1.1
149.00955	72.2
150.00882	2.7
150.98869	0.8
159.08452	2.5
161.06400	3.7
167.02019	0.3
173.04526	0.4
200.95091	0.3
215.05675	1.3
215.09105	0.3
217.07196	100.0
218.07318	6.6
233.10327	97.4
234.10461	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	235.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22078	1.3
50.79191	1.3
55.01883	12.2
57.03441	8.3
58.00581	5.7
59.01381	73.8
61.09848	1.3
68.99810	1.6
71.01382	94.1
71.05016	3.4
72.99300	6.6
73.02947	39.6
73.06599	2.0
75.00862	1.8
80.96480	1.5
83.01394	26.7
85.02953	60.2
85.03471	3.0
86.00112	2.2
87.00867	5.0
89.02438	7.4
95.01393	5.5
97.02946	3.4
99.00880	17.9
99.99879	7.4
101.02444	100.0
101.04283	16.6
107.05003	1.4
111.00849	3.3
113.02461	36.5
113.03247	1.8
119.01373	2.2
119.03468	2.0
120.99647	11.7
125.02424	2.3
129.01991	2.3
129.03802	35.8
135.04579	1.6
143.03464	1.8
147.04860	16.7
147.08131	2.1
148.05258	1.7
159.02997	5.1
161.04561	20.2
163.07632	3.1
174.03833	2.8
191.03392	1.7
191.07129	4.3
235.02455	3.5
235.06294	9.5
235.11778	20.1
235.16391	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	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06546	0.2
52.69296	0.2
55.66476	0.2
60.33546	0.2
61.98816	0.3
67.83624	0.3
69.71207	1.4
71.54282	0.2
80.80422	0.2
89.26030	0.2
95.14852	0.2
134.03741	0.6
135.04504	0.4
136.05287	0.8
144.58873	0.2
148.05302	10.5
149.05971	0.4
149.09689	1.2
150.83691	0.2
162.06851	0.5
175.07610	0.3
176.08421	0.8
177.09206	44.6
178.09572	2.0
190.10022	1.8
191.10652	0.8
192.11560	32.2
193.11983	2.1
201.09178	0.5
203.07101	0.9
206.09537	0.3
217.08696	3.6
218.09473	8.9
219.09914	0.4
236.10532	100.0
237.10921	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	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
50.24541	0.4
52.12933	0.5
59.70066	0.5
61.51230	0.4
70.46667	0.4
71.05004	0.7
78.93863	0.4
80.02676	2.3
81.03449	1.7
83.05029	7.5
84.02165	4.6
95.05002	0.9
103.15955	0.4
118.31326	0.5
125.06070	0.7
135.08156	1.2
147.11876	0.6
151.14189	0.5
163.11293	5.2
165.12828	4.0
181.12401	0.7
183.13861	2.6
191.10796	1.3
197.49341	0.4
199.13339	0.7
209.11821	100.0
210.12181	4.9
227.12885	4.2
227.20183	0.7
229.15320	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03424	0.5
62.45069	0.3
69.96560	1.1
69.96960	0.7
76.70974	0.4
83.05017	1.1
84.02135	0.4
90.09160	0.4
95.01322	0.4
111.00806	0.4
111.08176	1.0
111.51942	0.4
139.00398	0.5
163.11305	1.1
165.12836	20.6
166.13152	0.9
183.13892	100.0
184.14247	5.7
191.10846	0.5
209.11823	16.8
210.12183	0.9
227.07242	0.5
227.12888	16.5
227.20184	1.1
228.13194	1.0
233.96332	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1445
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03438	1.4
71.52381	0.5
83.05022	0.5
84.02190	0.5
85.02930	0.8
89.87457	0.4
96.96021	1.1
97.06569	0.5
113.02490	0.4
116.00187	0.5
125.09748	2.6
127.11297	4.7
136.96051	0.5
155.14441	2.0
165.12755	0.8
166.99792	0.5
167.14389	1.7
171.10272	5.3
174.47061	0.4
183.13878	1.1
185.06010	0.5
185.11971	0.5
201.14922	0.6
209.11861	3.4
211.13400	8.1
212.13803	0.6
229.14435	100.0
230.14792	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	227.0715
Annotation	Hibicutaiwanin
Peak:m/z	Relative Intensity
55.54323	0.8
66.09663	0.9
67.01882	1.0
69.38473	6.4
71.01398	0.7
82.50503	0.7
83.05032	2.0
91.01903	2.7
92.02712	1.2
93.03461	100.0
94.03791	2.0
95.01411	4.7
99.00822	0.8
99.92659	0.9
107.05039	11.6
108.02189	3.6
111.00868	2.3
119.72473	0.9
121.02960	79.8
122.03306	3.0
136.01689	2.6
137.02431	2.3
139.00410	1.8
153.12936	0.9
153.75647	0.9
154.99873	1.3
165.12833	4.2
169.12233	0.9
183.08110	1.0
183.13899	12.4
197.06073	20.1
197.07805	1.6
198.06377	0.9
199.07617	9.1
199.13394	3.7
209.06075	1.4
209.11833	19.1
225.05536	1.2
227.03561	1.6
227.07146	51.6
227.12901	9.1
227.16522	1.8
227.20160	7.7
228.07440	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0924
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
51.68037	0.5
58.51340	0.4
59.01369	0.5
61.28143	0.5
68.45055	0.5
71.01382	1.2
71.51740	0.6
72.99306	100.0
73.99651	0.7
75.00871	2.7
86.00067	0.6
88.04044	5.3
97.02927	0.8
97.06612	0.7
104.99229	0.5
112.98803	0.8
113.06090	1.1
115.00358	0.7
117.71720	0.4
122.03737	0.7
123.08172	0.6
125.06084	0.5
128.03517	0.5
132.03029	2.9
136.05322	0.6
137.06088	0.6
137.53175	0.4
138.06842	1.8
139.07674	3.9
145.06174	0.5
151.07635	3.0
152.08427	3.4
153.09206	1.6
155.10789	1.0
165.09219	5.0
165.12857	0.9
167.07153	1.3
183.13889	3.2
184.05345	0.4
205.25879	0.4
209.08165	2.1
209.11797	0.7
227.09236	31.7
227.12891	1.5
227.16412	0.6
227.20128	1.1
228.09474	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	227.129
Annotation	Traumatic acid
Peak:m/z	Relative Intensity
57.03434	1.5
59.01379	1.3
65.00335	1.3
67.01876	1.5
71.52757	1.3
81.03472	1.0
83.01395	1.5
83.05027	3.3
84.02177	1.6
90.63878	0.8
95.01375	1.4
95.05116	0.9
97.06580	1.8
109.06614	1.5
111.00869	2.4
111.04490	1.2
111.08183	4.6
139.11279	1.1
154.99860	0.9
163.11269	2.1
165.12846	30.6
181.12463	1.2
183.04379	0.9
183.13901	38.8
184.14250	2.2
199.13406	3.0
208.97205	1.5
209.11832	46.7
210.12157	2.2
227.03581	1.2
227.12897	100.0
227.16573	3.6
227.20164	6.8
228.13203	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	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.01877	0.4
57.68592	0.3
58.00593	0.3
64.10250	0.3
69.37830	1.9
71.04997	0.4
80.02672	2.2
81.03457	2.2
83.01384	0.3
83.05028	8.0
84.02171	3.3
91.93626	0.3
95.05034	1.2
97.06598	0.4
123.08179	0.4
125.06089	0.7
125.09689	0.5
127.11353	0.3
135.08162	0.8
163.11293	5.2
164.11630	0.3
165.12868	4.2
181.12335	0.6
183.13914	2.3
187.08795	0.3
191.10794	1.6
199.13435	0.7
209.11824	100.0
210.12170	4.5
227.07170	0.5
227.12900	3.7
227.20166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	6.1
59.01383	14.5
63.17493	0.6
67.28605	0.6
69.03481	0.7
71.05017	9.1
81.03464	2.9
83.05025	1.5
85.65005	0.6
93.03462	2.2
95.05046	4.0
96.96022	3.0
97.02959	5.5
98.20666	1.7
99.08128	0.9
105.53632	0.7
109.02917	0.9
109.06577	4.9
111.04523	3.2
113.09768	1.2
117.72713	0.6
122.03733	2.4
123.08172	2.6
125.02437	2.3
125.06121	1.0
135.08157	1.8
136.05324	1.6
137.02437	2.4
137.06071	1.9
137.09723	3.6
138.06873	50.2
139.07341	1.2
147.08145	0.8
149.09689	1.6
150.06879	0.8
151.07626	1.3
152.08559	0.9
153.09216	100.0
154.09554	3.8
163.11302	2.4
165.12808	0.8
181.12276	0.8
207.13873	9.2
224.91823	2.3
225.00505	0.6
225.07970	2.3
225.11613	7.8
225.14940	52.2
226.15317	2.7
229.03319	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78932	1.3
59.01372	8.3
61.98830	6.3
63.92234	1.2
65.00329	9.9
67.41885	1.2
71.52037	2.0
73.02947	11.2
80.02660	1.3
81.03462	4.6
83.05022	3.5
85.02951	1.4
92.99804	1.6
93.03460	7.7
95.04998	3.1
97.02939	12.6
97.06536	1.3
99.00898	2.2
109.02943	2.4
109.06591	31.9
110.03725	4.7
110.06884	1.4
111.04519	2.7
121.06586	2.4
123.04526	2.0
123.08138	1.4
123.56214	1.3
125.02484	2.0
126.90525	3.4
135.08150	4.7
136.05295	3.2
136.98802	12.4
137.02417	5.0
142.02692	4.7
153.01964	1.8
161.09715	2.7
163.11284	26.9
178.83334	1.9
178.99950	1.1
181.01436	1.9
181.08757	3.1
181.12335	56.8
182.12640	2.4
195.02980	1.9
197.00995	1.5
206.99324	3.5
207.10254	87.8
208.10641	3.9
210.05283	1.8
224.90517	3.9
224.96867	1.6
225.00467	6.3
225.11305	100.0
225.14879	3.3
226.11720	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	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.0
61.98834	1.1
65.00308	3.7
69.37522	2.3
69.37948	5.2
71.05048	1.2
73.02958	1.5
76.42488	0.9
77.99879	0.8
79.93121	0.8
81.03452	1.8
83.05042	1.1
93.03454	3.7
95.01406	0.8
95.77950	0.7
97.02944	12.4
97.06571	1.0
99.00861	4.0
109.02975	1.1
109.06602	5.2
110.03734	3.9
111.00903	0.8
115.58677	0.8
123.04492	1.0
125.09671	1.4
126.90499	1.3
135.08092	2.0
136.05264	1.7
136.98828	4.1
137.02426	2.0
142.01744	0.7
142.02686	5.3
147.15189	0.8
150.66731	0.8
153.01859	1.1
161.09665	0.8
163.11278	11.8
164.92253	0.8
165.98898	0.8
180.21751	0.9
181.12337	33.8
182.12659	1.8
197.11844	1.6
206.99353	1.1
207.10249	73.3
208.10599	4.5
224.90456	1.4
225.00401	1.8
225.07664	5.7
225.11304	100.0
226.11606	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	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.9
61.98817	1.4
64.13064	0.7
65.00303	2.4
69.04092	0.6
69.23813	7.4
71.01385	0.9
80.02654	1.0
81.03455	2.1
83.05021	2.3
84.02164	1.0
93.03439	4.2
97.02950	11.4
97.06534	0.9
98.20618	1.4
99.00871	1.4
109.02933	1.0
109.06592	20.3
110.03760	4.4
110.06932	0.9
111.04501	1.5
121.06588	1.4
121.14675	1.0
123.04486	1.2
125.09772	1.0
135.08174	3.6
136.05299	1.9
136.98798	3.2
137.02400	2.6
140.53464	0.7
142.02721	5.5
153.01968	0.9
161.09785	1.3
163.11288	18.9
179.10739	1.2
181.12343	15.8
189.09106	1.2
206.99384	1.4
207.10249	78.5
208.10583	3.2
210.05441	1.5
224.90598	1.2
225.00423	1.8
225.11310	100.0
226.11711	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	223.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.0
57.18301	4.0
59.01377	13.2
71.01420	5.8
73.02943	4.7
83.01382	4.6
83.03777	4.4
85.02950	6.9
87.75542	3.8
99.00878	5.7
101.02457	6.8
106.72939	3.9
117.04964	4.6
135.11815	33.1
149.02408	5.0
151.00340	5.6
161.09709	8.9
176.98337	6.8
178.99948	4.5
179.07143	6.1
179.10786	100.0
179.12248	7.5
180.11063	6.6
188.65285	4.9
193.01495	6.4
194.99257	5.8
204.07797	3.9
223.02724	17.6
223.06207	5.4
223.09798	5.4
223.13380	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0976
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
51.45504	3.4
59.01370	7.5
61.98830	5.1
67.05505	4.4
69.17113	21.0
69.17544	14.8
73.02924	4.6
101.02518	3.5
125.91582	3.4
131.48022	3.5
133.19780	3.6
135.04466	3.9
135.11816	27.0
161.09727	4.6
176.98262	5.4
179.10773	100.0
180.11052	5.8
193.01338	4.4
194.99315	7.0
205.08673	6.6
208.03737	4.8
223.02710	12.0
223.09648	12.0
223.13324	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	223.0977
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
59.01369	14.7
60.69551	5.0
61.33196	4.8
61.98837	8.5
73.02946	6.9
78.65372	5.4
79.11805	4.9
127.00402	5.5
135.11852	35.9
137.43407	5.0
165.02040	6.2
178.99759	13.9
179.03516	6.9
179.10793	100.0
180.11063	6.3
181.29350	5.2
183.24873	5.5
193.01495	5.6
194.99321	5.7
195.47607	6.1
223.02718	20.7
223.06013	6.2
223.09792	6.8
223.13422	8.3
235.77885	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	225.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92004	0.1
55.01872	0.2
57.03450	11.5
58.03790	0.1
59.01382	0.2
59.42857	0.1
61.39770	0.1
65.00331	0.2
69.35981	0.8
70.62337	0.1
71.05022	0.6
73.02968	0.2
74.02692	0.1
81.03460	3.0
83.01389	2.6
91.05527	0.1
93.03460	0.8
95.05032	1.7
96.96021	1.2
97.02956	4.6
99.00887	0.9
107.01402	0.2
109.02991	0.1
109.06605	0.1
115.04021	1.1
119.05026	2.5
120.05416	0.1
121.02976	0.2
122.03761	0.4
125.02454	100.0
126.02791	2.7
135.04536	0.2
137.02493	0.3
137.06094	5.9
138.06480	0.2
139.04004	0.3
151.00406	0.3
163.04021	1.8
164.04350	0.1
165.01788	0.1
167.30597	0.1
181.05077	3.2
182.05397	0.2
225.00485	0.2
225.04042	5.5
225.07918	0.6
226.04405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0771
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
50.57161	3.8
54.85550	3.6
57.73700	4.1
59.01369	7.3
65.00319	6.4
67.01905	4.7
68.99809	14.5
70.74234	3.5
71.01382	7.9
71.05025	4.2
72.53793	3.5
78.79884	4.1
79.05520	4.4
80.02673	4.6
81.03462	7.4
82.15295	3.7
83.04981	4.5
93.03459	18.6
93.07039	4.4
95.05029	9.2
97.06569	4.2
105.07110	26.2
106.04263	9.4
107.05029	12.8
108.02170	10.3
109.02938	7.8
109.06567	13.9
119.05038	12.3
120.05838	52.2
121.02943	15.4
121.06609	87.6
123.08154	35.9
126.90503	4.3
131.05029	11.5
133.06569	8.9
134.03725	13.4
135.08173	43.2
136.01649	4.1
136.05316	5.0
136.26039	3.9
136.98820	9.2
137.02452	18.6
137.06064	14.4
137.09680	3.9
138.06825	12.0
139.07704	7.9
147.04492	7.7
148.05177	4.5
149.06094	93.1
151.07657	11.8
153.01973	4.5
153.05534	6.4
153.09204	12.2
163.07616	6.7
163.11263	5.7
165.00496	3.7
165.01886	4.5
165.05518	10.6
166.06345	62.0
167.06961	7.2
179.07103	5.1
181.08708	92.3
181.12308	6.0
192.58041	3.6
193.05070	15.7
193.06635	3.8
195.02858	6.5
195.06676	4.8
199.09836	5.9
207.04988	5.6
207.06711	7.1
207.10330	10.2
208.69829	4.7
210.05363	22.6
225.07664	100.0
225.11079	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	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.1
57.03452	20.0
58.00586	1.1
59.01384	8.8
59.58157	0.5
61.80098	0.5
67.01884	1.8
68.99821	1.5
69.31869	0.8
69.32277	4.0
71.01007	1.1
71.01386	15.1
71.32247	0.5
72.99311	4.4
73.02948	2.6
75.00877	7.1
78.53793	0.5
83.01395	11.4
84.02183	3.0
85.02956	100.0
86.03281	1.6
87.00873	4.7
88.01664	1.2
99.00900	0.5
101.02451	10.4
103.00379	1.3
103.04013	1.7
111.00888	45.0
112.01251	1.1
120.95853	0.6
125.02402	1.2
129.01955	27.8
130.02286	0.8
133.05035	1.0
136.87634	0.5
143.03510	1.2
147.02986	5.6
155.52177	0.6
161.04584	2.2
178.99840	0.6
187.02435	2.6
205.03535	35.7
206.03889	1.0
208.00096	1.2
217.40247	0.6
223.04588	31.4
224.04924	0.8
233.44461	0.5
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
53.82758	0.6
55.01875	5.8
55.69335	0.6
57.03450	20.4
59.01378	8.8
67.01886	1.1
68.99821	1.7
69.94839	2.8
71.01382	11.5
72.99319	5.0
73.02948	2.3
74.48487	0.8
75.00871	5.5
79.14926	0.6
83.01380	11.0
84.02174	2.8
85.02953	100.0
86.03288	1.5
87.00884	3.5
89.87984	0.7
98.19935	0.6
99.00872	1.4
101.02451	12.0
103.00370	1.7
103.03993	2.3
111.00887	44.9
112.01225	0.9
114.05535	0.6
125.02454	1.6
129.01947	26.5
133.05104	0.6
143.03511	1.0
147.03000	8.1
148.05934	0.7
161.04587	1.9
173.00902	1.0
187.02519	3.3
205.03528	39.2
206.03929	1.5
223.04570	32.3
224.04951	1.4
229.44550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.9
60.01682	0.7
68.32896	0.4
71.01374	1.3
71.05023	1.3
71.50038	0.5
79.95742	41.4
80.96523	23.3
80.97015	0.7
82.82305	0.4
86.02474	1.9
88.04054	7.4
94.98079	0.5
95.68589	0.4
106.98100	23.1
110.02486	5.4
125.02467	0.4
131.01697	0.4
131.09087	0.5
132.04553	0.5
146.08292	3.2
154.05127	1.2
172.09880	0.4
174.05885	0.5
187.02646	0.4
188.11259	0.7
191.03387	0.6
218.01297	100.0
218.10382	2.2
219.01508	2.5
219.17508	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	218.1033
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
59.01373	2.9
59.27903	0.5
63.40066	0.6
69.72446	1.6
69.72871	1.3
71.01382	10.4
71.05020	20.0
72.00906	1.3
88.04041	100.0
89.04366	1.0
89.72489	0.5
97.87900	0.4
98.19891	0.7
99.04510	6.8
116.03498	0.7
116.07153	2.9
118.71080	0.5
129.05605	0.8
146.08231	52.3
147.08560	1.5
154.41411	0.6
166.21379	0.5
186.01360	0.6
191.03502	0.6
217.00284	0.5
218.10326	22.6
219.08589	0.6
219.10606	0.6
219.17503	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	221.0818
Annotation	2E,4E,8E,10E-Dodecatetraenedioic acid
Peak:m/z	Relative Intensity
59.01385	3.3
59.02357	0.4
71.01392	0.7
71.52114	0.4
93.03487	0.8
105.91945	0.4
107.05036	0.5
113.02480	0.5
117.03463	0.4
119.05080	0.7
121.02995	0.5
123.00854	0.6
124.01673	1.5
133.02975	0.6
135.04507	0.5
137.02446	0.9
138.03239	19.4
140.01277	0.5
145.02977	1.1
149.02444	0.8
150.03146	0.4
163.04031	8.1
164.04823	1.8
165.05565	0.6
170.02194	2.1
173.02434	1.2
174.03165	0.9
175.07622	1.6
177.01927	1.1
177.05565	0.6
177.09219	0.7
191.01770	0.9
191.03528	18.7
192.04300	100.0
193.04616	4.4
193.08688	0.7
203.07176	0.9
221.01010	0.7
221.08197	35.6
222.08519	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	221.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
70.43945	0.3
79.05138	0.3
87.00895	0.8
87.02741	2.6
88.30179	0.3
98.20635	0.8
105.13396	0.3
111.96784	0.3
115.05885	0.4
126.95171	0.3
131.04515	0.4
131.05341	1.7
133.06935	100.0
134.07288	2.8
178.00693	0.3
217.37044	0.4
221.08514	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	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
53.57026	0.2
57.44539	0.2
59.01385	0.5
69.36935	1.8
73.02974	0.2
79.04475	0.2
107.80057	0.2
137.09712	0.5
165.12784	0.3
176.98219	0.2
177.12805	0.3
183.13902	30.0
184.14236	1.5
195.13907	23.8
196.14249	1.2
197.99197	0.2
211.13367	0.8
213.14964	100.0
214.15315	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	213.1497
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01392	0.7
69.45245	3.2
75.69320	0.4
83.91983	0.5
87.71233	0.4
98.20627	0.6
112.61437	0.4
131.59901	0.4
142.24838	0.4
164.35368	0.4
183.13895	30.1
184.14291	0.9
195.13898	25.2
196.14201	1.3
213.14957	100.0
214.15273	4.4
230.50374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.003
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05654	0.5
59.01380	100.0
60.01720	1.1
61.98833	6.8
63.52507	0.5
69.46721	1.0
69.47130	2.6
78.87100	0.5
90.82032	0.6
90.97147	2.0
96.96024	1.5
103.42667	0.4
118.96635	0.9
124.89135	5.0
132.98206	2.9
146.10472	0.5
170.88676	2.9
174.99255	28.1
188.89478	1.9
216.87933	0.5
217.00284	23.1
217.04886	0.7
217.87201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45736	0.4
55.01876	2.8
57.03441	2.5
58.25028	0.4
61.98830	1.3
65.00318	0.6
69.03444	0.8
71.01378	0.5
71.51545	0.5
81.03460	1.0
83.05039	1.3
83.30752	0.4
87.04455	0.7
93.03481	0.7
94.04257	1.6
95.05022	0.7
97.02953	1.1
97.06600	0.4
99.00884	0.4
107.08640	0.6
109.06583	2.3
119.08683	0.8
120.05814	1.2
120.89900	0.6
121.06589	0.9
123.00909	0.6
125.02416	0.6
125.09692	0.5
127.43568	0.5
135.08165	22.6
136.08504	0.9
137.09723	100.0
138.10063	3.5
141.01955	0.4
146.46693	0.4
151.07657	0.5
168.98936	0.5
169.01404	1.4
169.06586	0.6
169.12363	0.9
181.08710	1.7
183.13826	1.0
194.99377	1.7
195.13930	0.9
195.80156	0.4
197.99179	0.7
213.01923	0.7
213.05672	1.0
213.07762	0.5
213.11348	3.9
213.15057	5.0
213.18628	1.1
215.10883	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	213.1133
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
57.03430	0.5
57.59196	0.4
59.01380	0.5
69.37934	3.0
89.00336	0.4
91.81325	0.5
97.02937	1.2
97.06610	0.8
118.92449	0.8
125.02433	0.8
151.11284	11.7
152.11607	0.5
165.08096	0.4
168.98964	0.6
169.01469	0.8
169.12335	100.0
170.12686	3.7
194.99394	1.3
195.10289	1.0
195.14009	0.8
213.05702	0.8
213.09219	0.8
213.11317	15.2
213.14862	4.1
213.18526	1.1
214.05139	1.2
214.11684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42486	0.3
53.44315	0.3
59.01378	0.9
61.98835	100.0
71.28793	0.4
84.61040	0.3
91.92118	0.4
99.25160	0.3
103.92041	0.4
107.25421	0.3
123.00922	0.4
124.04063	1.1
151.91835	0.4
153.92307	0.5
156.93900	0.6
164.96434	0.5
166.91017	0.7
209.94916	26.8
210.07643	0.4
210.94986	1.7
211.13359	0.5
227.36969	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08807	0.5
59.01365	0.7
61.61938	0.5
61.98836	1.6
69.03453	0.8
83.05029	0.7
95.01369	2.0
98.19787	0.9
123.00887	1.1
164.98344	0.6
165.12833	0.6
167.10791	1.1
167.14397	1.9
174.18671	0.5
183.13896	16.0
184.14122	1.0
192.97766	0.5
193.12299	4.0
211.13383	100.0
212.13718	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	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
51.20113	0.3
59.01368	0.7
61.98827	1.9
67.01904	0.3
69.03446	1.1
69.06198	0.4
69.85922	1.4
76.03903	0.3
80.52100	0.3
83.05027	0.6
85.06597	0.3
95.01389	1.1
98.20750	0.3
100.83354	0.3
102.05372	0.3
104.74789	0.3
123.00897	0.5
165.12750	0.8
167.10739	0.8
167.14413	2.1
181.12408	0.4
183.13896	14.8
184.14253	0.9
192.97803	0.8
193.12326	4.1
211.13385	100.0
212.13747	5.0
231.73535	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.134
Annotation	Putaminoxin
Peak:m/z	Relative Intensity
61.98830	3.9
65.90841	2.8
71.94933	2.8
73.02947	7.5
74.33076	3.3
83.05038	3.7
85.06581	4.1
95.01368	9.8
97.02961	4.4
98.19890	9.2
123.00925	6.1
135.11810	14.0
139.42180	3.4
153.64168	3.3
164.98245	6.7
167.14406	6.8
172.88892	3.0
183.13918	4.2
205.24440	2.8
211.11472	6.4
211.13396	100.0
212.13747	5.6
212.40237	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	209.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19478	0.9
56.23420	0.9
57.03437	1.6
59.01357	1.5
59.52674	0.9
69.14075	10.9
71.05013	3.1
73.02956	2.6
80.02678	2.9
81.03455	5.4
83.05020	28.0
84.02145	2.2
85.06577	1.3
92.99806	3.3
93.03458	2.1
95.05012	7.4
97.06589	75.2
98.06941	2.0
98.28266	1.0
109.02975	3.4
109.06586	12.9
110.03717	2.7
111.04495	5.5
113.06068	6.7
120.05832	2.1
121.02956	35.2
121.06577	1.8
123.04571	1.5
123.08139	1.8
124.04132	1.0
125.06064	1.7
125.09747	1.3
135.08157	24.4
136.05212	1.0
136.98813	1.8
137.02419	1.6
137.06070	1.9
139.07640	8.8
147.08188	1.6
149.99559	1.4
151.07645	1.4
152.04814	1.1
153.09210	8.9
162.98410	1.1
163.11272	8.0
164.98259	2.8
165.09192	25.3
165.12813	3.3
166.09619	1.2
167.06140	1.2
173.09686	2.5
175.04439	1.1
181.12331	4.2
191.00041	1.1
191.10776	20.8
194.02180	1.5
209.00917	2.2
209.04517	3.4
209.11819	100.0
210.12183	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	209.1183
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
51.43003	0.4
51.55530	0.3
57.03441	2.4
59.01378	100.0
60.01714	0.7
69.84781	2.1
70.67706	0.4
80.02671	0.8
81.03458	1.9
83.05014	0.6
97.06593	2.6
109.06596	3.4
114.73020	0.4
121.02948	5.7
163.11201	0.7
165.12834	3.9
200.58549	0.4
209.04575	1.1
209.11803	16.4
210.12186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1181
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
57.03437	0.4
58.86336	0.4
59.01373	0.8
61.98830	2.9
65.00323	2.1
67.01887	0.5
68.99780	0.4
78.03460	0.4
80.02676	2.8
81.03451	2.0
83.05027	9.7
91.01871	0.5
92.99819	4.6
93.03448	1.1
94.02977	1.1
95.01399	0.7
95.05019	1.7
97.06566	0.5
101.24769	0.4
109.02956	0.5
109.06584	0.5
121.02960	23.6
122.02491	0.5
122.03300	0.5
124.04044	1.5
125.02435	0.5
125.06097	0.9
135.08136	1.9
136.98805	3.1
137.02406	0.6
147.11797	0.4
149.99599	0.8
163.11287	9.2
164.98282	4.1
165.12871	4.7
181.12328	1.4
186.27745	0.4
191.10771	1.8
193.98570	0.7
208.97272	0.7
209.00931	1.4
209.04559	3.0
209.11818	100.0
209.94910	1.0
210.12177	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	209.1183
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
58.48783	0.3
59.01374	2.4
61.98811	1.3
62.16336	0.3
65.00326	0.6
70.81071	0.4
70.81389	0.6
80.02673	2.3
81.03450	2.8
83.05028	10.0
88.09879	0.3
92.99822	1.0
93.03431	0.5
95.05037	1.5
97.02971	0.3
97.06577	0.8
109.06606	0.6
121.02966	8.5
125.06099	0.7
135.08139	1.2
136.98814	0.9
147.11769	0.4
163.11292	7.9
163.12575	0.6
164.11636	0.3
164.98302	1.4
165.12856	4.8
179.03525	0.4
181.12364	0.8
191.10799	1.7
192.84718	0.3
203.78329	0.3
209.04541	1.1
209.11826	100.0
210.12170	5.6
210.14017	0.6
221.94353	0.4
225.62569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Pulchellon
Peak:m/z	Relative Intensity
57.03448	4.4
59.01374	2.4
61.98828	20.6
65.00317	2.8
69.03452	1.2
69.51110	0.8
70.50772	2.0
70.51128	1.3
71.01382	17.0
71.05002	1.0
73.02958	2.0
76.64191	0.8
80.02677	2.8
81.03459	3.2
83.01382	2.4
83.05026	6.8
84.02185	1.1
91.01880	1.3
92.99824	7.5
93.03462	3.3
94.02970	1.1
95.01409	1.4
95.05027	3.6
97.02981	0.8
97.06593	4.5
97.47584	0.9
108.02150	1.1
109.02996	1.5
109.06587	1.2
111.08146	2.7
117.07054	0.8
120.02193	1.4
120.99343	1.1
121.02959	67.1
122.03249	2.2
123.08118	0.8
124.04052	2.6
125.09706	6.4
134.03737	0.9
135.04419	1.0
135.08093	1.5
136.98802	5.2
137.06082	1.3
137.09717	1.1
145.10229	1.4
147.11807	1.7
149.09666	1.0
149.99538	1.2
151.11285	23.3
152.11580	0.9
153.09319	0.8
153.12856	3.4
161.02489	1.1
161.09749	1.0
163.11284	9.6
164.98299	6.3
165.01974	1.0
165.12840	14.8
173.09700	2.4
179.03520	1.3
179.10739	4.7
181.01505	1.0
181.12338	30.8
182.12721	0.9
186.30716	0.9
191.07129	1.0
191.10773	16.5
191.12439	1.5
194.05701	1.1
208.97212	0.9
209.00919	3.5
209.04558	7.0
209.11818	100.0
209.94910	6.7
210.12239	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	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
55.01865	1.1
57.03442	1.2
59.01361	0.9
61.98827	5.6
65.00320	2.5
69.03458	0.7
71.01366	0.7
71.50038	0.6
75.75312	0.4
78.24073	0.4
80.02675	1.9
81.03451	3.5
82.29440	0.4
83.01387	14.7
83.05027	6.5
84.02151	0.7
85.02933	0.6
87.81043	0.4
91.01894	0.9
92.99821	5.0
93.03455	1.7
94.02996	1.1
95.01378	1.1
95.05064	2.1
97.06583	2.1
107.05029	0.5
108.02204	0.4
109.02950	0.7
109.06582	0.8
111.08157	0.5
121.02960	40.7
122.03244	0.9
123.08179	0.8
124.04034	1.5
125.02536	0.4
125.06077	1.0
125.09723	12.3
126.10036	0.4
134.03752	0.6
135.04480	0.5
135.08174	1.9
136.01651	0.7
136.98793	3.0
137.02478	0.8
147.11795	1.1
149.99590	1.5
153.01765	0.4
161.02463	0.5
161.09630	0.4
163.11288	9.8
164.98293	4.6
165.01942	0.8
165.05559	0.4
165.12825	4.2
179.03539	0.7
181.12350	1.5
189.09444	0.4
190.99815	0.5
191.07156	0.4
191.10793	5.0
193.98630	0.6
194.02202	0.5
194.05771	0.5
195.24911	0.4
208.97304	0.5
209.00912	2.5
209.04514	5.2
209.11821	100.0
209.94972	1.8
210.07663	0.5
210.12148	4.7
210.68791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80763	0.7
60.24701	0.7
65.00323	2.6
69.03456	1.3
71.51711	1.2
80.02675	0.8
81.03465	1.8
83.01398	0.7
83.05016	2.5
92.99813	2.6
93.03455	1.4
95.01351	0.8
97.02956	1.4
101.33270	0.7
106.00559	0.7
107.05035	0.7
108.02171	5.8
109.02972	4.1
119.05019	0.7
121.02966	27.6
122.03755	47.5
123.00868	1.7
123.04087	0.8
124.01669	4.0
124.04028	0.8
125.02463	1.0
131.19180	0.6
135.04541	20.0
135.08228	0.6
136.00696	1.2
136.01668	10.5
136.04863	1.0
136.98814	1.0
137.02420	1.3
137.06105	1.2
147.08174	2.4
149.02521	0.7
149.06079	1.6
149.99602	17.3
153.01944	2.8
161.06091	1.6
163.07664	1.9
163.11298	1.3
164.98283	1.8
165.01933	0.9
165.09212	94.4
166.08395	0.7
166.09544	4.2
173.06073	1.1
179.03510	1.7
181.01425	4.9
189.05576	2.3
191.07138	100.0
192.07481	4.2
194.05852	1.0
209.00941	21.6
209.04591	3.7
209.08194	68.8
209.11739	20.5
210.01323	0.8
210.08501	3.1
210.12039	1.0
215.10889	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0509
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
55.01869	0.8
55.55405	0.7
58.00588	4.8
59.01380	31.4
59.06072	0.7
59.54069	0.6
65.88551	0.6
71.01385	8.6
71.16064	0.7
71.16400	1.3
72.99318	3.8
73.02948	3.1
83.01399	3.6
85.02956	0.8
89.02444	8.2
99.00854	4.1
101.99600	1.8
113.02467	1.5
117.01945	100.0
117.05605	1.5
118.02290	1.6
189.03992	1.2
207.05077	3.4
216.28053	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15638	0.4
58.33368	0.4
65.00332	0.9
69.03448	0.9
69.33169	2.3
69.33581	0.6
78.95889	0.5
81.03445	0.5
83.05019	1.1
92.99827	0.5
97.02977	0.5
98.20644	0.5
98.29626	0.4
107.01380	0.6
108.02181	5.2
109.02962	3.6
121.02957	8.8
122.03745	51.5
123.00892	1.0
123.04076	1.4
124.01665	4.3
125.20579	0.4
135.04527	21.2
135.98611	0.3
136.01663	11.4
136.04843	0.5
136.98795	0.4
137.02409	0.8
145.06616	0.9
147.04509	0.7
147.08163	1.6
149.06088	1.7
149.99582	6.7
153.01938	1.3
161.06161	0.7
163.03954	0.5
163.07669	1.7
165.09209	100.0
166.09537	4.3
173.06065	1.7
179.03557	0.5
179.41888	0.4
181.01457	1.5
189.05566	3.8
191.07140	99.3
192.07503	6.1
194.05798	0.5
209.00937	7.1
209.08195	68.9
209.11707	2.8
210.08560	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	203.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29086	0.1
56.31656	0.1
59.01377	4.1
60.01711	2.0
61.01813	0.4
61.98829	100.0
62.98543	0.2
70.64177	0.2
70.64510	0.2
106.27380	0.1
122.64545	0.1
130.83621	0.1
160.03792	0.2
200.38693	0.1
203.99979	0.6
204.02771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.7
55.46363	2.3
56.99802	2.3
57.03444	5.5
59.01377	50.9
60.99299	2.7
68.99811	5.5
69.42439	2.1
71.01015	3.7
71.01384	64.1
71.01776	3.3
71.13711	4.1
71.14053	2.4
72.99307	34.5
73.02935	9.6
75.00865	22.0
80.73946	2.0
83.01389	16.0
85.02953	5.2
87.00874	26.9
87.01714	2.2
89.02456	10.7
93.33939	2.6
94.09100	2.3
96.99304	5.3
99.00881	42.7
100.98815	2.4
101.02422	4.5
103.00342	3.3
111.00878	24.0
112.98812	100.0
113.99087	2.9
114.99573	3.2
115.00374	52.4
117.01919	10.2
124.98806	7.2
125.02434	8.6
127.00384	7.0
129.01904	9.6
142.99854	17.9
145.01424	14.8
154.99846	8.0
157.01370	2.6
173.00845	6.5
175.02431	4.0
205.15935	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	205.1597
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01364	0.2
70.00079	0.4
70.00493	0.3
71.01381	0.2
79.47462	0.1
81.44981	0.1
82.55053	0.1
109.27502	0.1
110.93480	0.1
111.00863	0.2
115.00293	0.2
121.30058	0.2
173.73972	0.2
189.12830	2.5
205.15958	100.0
206.16286	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	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02977	32.8
70.02985	12.6
72.00912	5.7
89.58295	0.8
90.18710	0.6
91.05537	14.8
103.05524	1.5
108.12516	0.7
112.69051	0.6
113.87890	0.7
135.04668	0.6
135.38229	0.7
141.68895	0.6
145.87422	0.7
147.04520	36.7
148.04808	1.1
164.07164	100.0
165.07590	3.2
198.28839	0.6
206.08228	32.7
207.08543	1.6
228.21005	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98829	100.0
62.98532	0.1
63.72138	0.1
63.72486	0.1
69.81602	0.1
70.67275	0.1
78.40029	0.1
78.91909	0.1
85.78714	0.1
91.40367	0.1
93.03456	0.1
94.02993	0.1
107.25953	0.1
122.46874	0.1
123.76878	0.1
130.44827	0.1
135.04565	0.1
137.91747	0.1
143.86462	0.1
144.95563	0.1
146.97113	0.1
149.02400	0.1
156.51131	0.1
160.86803	0.1
162.98471	1.1
163.98718	0.1
164.89587	0.1
164.96413	0.3
177.01904	0.6
192.04210	0.7
206.97444	6.2
207.02980	0.2
207.06631	0.3
207.97565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0827
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
69.97175	3.5
72.00910	28.4
74.02477	32.4
116.05069	100.0
117.05394	3.5
129.05843	0.8
130.06641	3.4
142.06627	27.4
143.07002	0.9
147.00287	0.7
159.09274	17.4
186.05551	3.4
203.08266	55.6
204.08543	2.1
222.70615	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.8
60.01714	1.3
61.01810	0.4
61.98830	100.0
62.98556	0.1
66.75825	0.1
71.01007	0.1
71.01350	0.4
85.87936	0.1
143.86537	0.2
154.96234	0.1
160.03795	0.2
203.99988	0.5
204.02823	0.4
205.16023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
52.15830	0.6
59.01381	1.9
61.98837	8.0
65.00317	2.3
67.01894	1.0
68.99825	1.0
69.03473	3.3
69.53827	0.7
69.77320	0.7
71.51586	1.1
72.21719	0.6
81.03479	0.6
83.01381	0.9
83.05019	1.6
91.01907	0.7
95.01392	1.8
97.06602	0.6
99.04505	0.8
103.97680	1.2
109.02959	2.7
109.06616	0.6
111.00867	0.8
112.01656	0.9
116.92868	0.7
121.02924	3.1
123.00888	8.4
123.04501	0.7
123.08060	0.7
125.02461	1.7
125.09743	1.4
126.90504	3.6
137.02464	1.5
138.03227	2.0
141.09207	0.8
151.11327	0.9
153.01895	2.7
153.05574	1.7
153.09196	2.6
153.12805	4.5
160.84222	10.0
161.84244	0.9
162.83914	23.9
166.99872	6.1
169.01469	1.0
169.12331	18.5
170.12625	0.7
178.99797	1.5
179.07211	0.7
179.10770	1.7
179.12308	0.8
182.02194	14.2
182.05817	1.0
197.00694	1.3
197.02353	0.9
197.04570	4.0
197.11827	100.0
197.80803	15.7
198.12175	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	199.0977
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
67.01912	0.7
68.99805	0.5
69.98370	1.6
73.02956	3.1
76.01010	0.3
83.01408	0.7
85.02952	0.3
92.99813	1.2
99.00851	0.8
111.00892	1.2
127.00387	1.5
127.04039	0.4
135.08211	2.0
136.98846	0.3
137.09729	8.4
139.24077	0.4
148.43594	0.4
155.10788	100.0
156.11107	4.1
166.99884	0.4
199.02373	0.3
199.09764	4.9
199.13443	1.1
199.16989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63735	0.2
59.01382	100.0
60.01729	0.7
60.55370	0.3
69.25340	2.2
75.73059	0.2
81.30991	0.3
86.38853	0.2
113.04617	0.7
117.77534	0.3
119.01153	0.3
157.03568	5.8
157.04785	0.5
158.03737	0.5
159.01506	1.6
201.02559	10.4
202.02776	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0198
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
51.47078	1.0
55.93968	1.2
55.98401	1.2
57.03431	5.2
59.01366	3.2
60.99303	1.8
67.01884	1.9
69.03458	76.8
70.03773	1.4
71.01380	62.1
72.99313	9.2
73.02926	1.5
73.39245	1.1
75.00868	5.0
75.61992	1.3
79.01894	20.9
81.07265	1.1
83.01370	3.4
85.02955	9.9
87.00879	15.3
88.04030	1.4
95.01390	8.3
95.05022	1.3
97.02953	100.0
97.06612	2.2
98.03284	1.2
99.00880	3.5
111.00891	3.7
113.02446	7.4
115.00382	10.8
115.07623	1.7
123.00894	6.0
124.17178	1.4
125.02423	1.8
129.01921	5.2
141.01935	22.4
141.05617	5.8
147.95633	1.2
158.08228	2.1
159.02962	1.5
170.47755	1.2
185.00876	2.0
185.04504	3.9
186.07741	2.1
203.01968	95.9
204.02274	2.0
204.08720	3.2
223.90750	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74740	0.8
57.03430	1.5
59.01379	14.4
61.98810	1.5
68.76310	1.1
69.03458	10.1
71.01382	25.4
71.51140	1.2
72.99303	1.7
73.02928	1.2
75.00879	7.6
77.51575	0.9
80.46152	0.8
81.03425	1.1
83.01376	1.7
85.02937	3.3
87.00847	1.3
87.04495	1.5
93.03457	0.8
95.05023	15.7
96.99294	1.0
97.02938	8.5
97.05979	1.3
97.06587	26.2
98.00052	1.6
99.00867	3.0
99.04520	1.2
101.02393	1.2
103.92035	6.5
104.97723	1.9
110.43369	0.9
111.00854	1.0
111.24053	0.8
112.98090	1.0
112.98825	13.7
113.02448	60.4
115.00362	1.3
115.07652	34.9
116.05062	15.9
119.04985	1.5
121.02980	1.1
123.04510	1.6
125.02450	37.5
126.02795	1.1
130.94334	1.4
131.03506	1.9
131.04979	1.6
132.04535	1.1
140.98294	9.0
141.01945	1.7
141.05580	100.0
142.05907	2.6
147.04506	0.9
148.95409	1.9
158.99341	1.2
159.03239	2.0
159.04543	2.4
159.06564	6.3
160.04034	66.9
160.89299	2.0
167.03357	1.2
173.00896	3.5
175.03986	2.5
185.04546	93.8
186.04863	3.7
188.04736	1.4
202.94159	1.8
203.00153	1.4
203.01886	7.8
203.03535	4.0
203.05560	32.7
203.07256	2.3
203.10770	1.0
204.03014	7.6
204.05823	1.0
210.09290	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.139
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
61.98822	0.8
68.99827	0.3
69.77293	1.8
79.12732	0.3
98.20531	0.4
109.06583	4.5
111.08161	3.6
121.02918	0.3
122.03754	0.8
123.00867	0.7
123.04451	0.3
125.02391	0.3
125.09686	1.1
138.06871	0.8
139.07739	0.3
150.03209	0.3
151.11292	0.5
160.84216	3.8
165.01929	0.5
167.14413	7.1
168.14742	0.6
179.10779	5.0
180.11372	0.4
193.51482	0.3
194.99385	0.4
195.13892	100.0
195.81075	1.6
196.14221	4.9
205.42557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0091
Annotation	4,5-Dihydroxyphthalate
Peak:m/z	Relative Intensity
61.98833	2.3
65.00327	4.8
65.03346	0.6
68.99809	1.6
69.03453	1.6
71.46700	0.8
71.85100	0.5
72.99313	5.6
78.20771	0.5
80.96516	4.6
81.03466	1.0
82.00595	2.6
83.01391	1.3
83.98549	0.7
84.99307	2.6
95.01376	2.5
95.02489	0.6
96.96011	1.9
96.99313	1.8
97.02954	1.9
98.28867	0.6
99.00861	0.7
107.01376	0.9
109.02969	1.9
110.00101	100.0
111.00443	1.8
123.00933	3.0
123.04520	0.7
124.01631	0.6
125.02455	8.2
125.99590	1.7
126.90498	1.7
131.07628	0.5
137.99597	41.2
138.99982	0.7
141.99078	1.7
142.08710	0.7
151.00375	1.0
153.01942	65.6
154.02284	2.0
162.83916	0.6
166.99850	2.7
178.99886	0.8
179.03732	1.2
182.02222	5.7
197.00903	14.9
197.04639	3.6
197.11810	0.6
197.80844	0.6
198.07678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	1.4
65.00327	1.3
65.92004	0.4
66.03484	0.5
67.01871	0.5
68.99808	0.5
69.79068	1.1
69.79472	1.6
95.01396	17.6
96.01772	0.5
96.96016	0.7
97.02991	0.8
98.20670	0.5
109.02964	2.7
110.00081	0.9
111.00900	1.0
111.04525	0.5
116.92878	0.7
121.02973	2.1
123.00899	69.2
123.04497	1.1
124.01247	1.6
125.02484	1.5
126.90527	2.0
135.08212	0.6
136.07657	0.7
137.02528	1.2
138.03249	17.0
138.04312	0.8
151.00423	0.6
153.01985	2.2
153.05571	5.3
153.09105	0.5
160.84306	0.5
162.83904	1.4
166.99867	49.3
168.00220	1.3
178.99867	1.6
179.03453	0.7
181.01447	1.5
182.02223	100.0
183.02530	2.9
197.00877	1.2
197.04575	21.0
197.08072	0.9
197.11871	1.2
197.80812	0.8
198.04982	0.9
198.07761	0.6
213.71844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.88346	0.2
59.01365	1.0
61.98831	2.8
64.17365	0.2
65.00319	0.8
69.03461	2.3
71.01385	0.5
71.50412	0.3
78.74828	0.2
80.99821	0.3
81.03457	0.5
83.01383	0.3
83.05027	1.1
92.59491	0.3
95.01380	0.6
95.05048	0.4
97.02994	0.4
97.06573	0.4
99.08186	0.3
103.97686	0.6
106.12250	0.3
109.02970	0.6
112.01685	0.5
112.98631	0.2
121.02937	0.8
123.00885	3.2
123.08180	0.3
125.02516	0.5
125.09776	0.3
126.90482	2.1
130.99226	0.3
137.02475	0.5
137.09752	0.5
138.03261	0.5
139.00311	0.3
141.09233	1.3
151.10057	0.2
151.11267	0.9
153.01921	0.4
153.05571	0.8
153.09216	2.0
153.12856	5.6
160.26199	0.2
160.84189	2.4
161.84126	0.3
162.83905	7.7
166.99852	1.9
167.10796	0.3
169.12337	19.1
170.12675	0.8
178.99860	0.7
179.03476	0.3
179.10796	1.8
182.02217	4.8
182.05779	0.4
183.02467	0.3
197.04721	1.5
197.11824	100.0
197.80801	4.8
198.12157	4.2
202.27066	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
56.14310	0.4
61.98829	1.6
62.22436	0.4
65.00362	0.4
66.33982	0.4
69.03471	0.7
71.05033	1.6
74.61871	0.3
87.32041	0.3
94.04220	0.4
95.01394	0.5
95.05024	0.5
97.06591	14.8
99.08150	4.5
109.02937	0.6
109.06581	0.8
111.08159	0.7
121.02943	0.5
122.03763	2.2
123.00886	1.9
125.02434	0.9
125.09714	0.9
126.03242	0.8
126.90497	1.0
137.09741	2.2
138.03198	0.6
151.11282	1.4
153.01897	0.5
153.05486	0.5
153.12851	100.0
154.13208	4.2
160.84172	2.2
162.83908	5.4
166.99841	1.5
169.12471	0.3
178.99815	0.4
179.10777	23.3
180.11189	0.5
182.02185	2.9
182.05858	0.4
197.04585	0.7
197.11818	8.7
197.80759	3.2
198.12117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	Quinic acid
Peak:m/z	Relative Intensity
53.40578	0.2
54.59645	0.2
57.03452	0.8
59.01381	4.0
60.99320	0.2
67.01889	1.2
69.03448	0.7
69.52161	0.4
69.52581	0.7
71.01379	2.8
72.99339	0.2
73.02942	1.2
81.03461	1.3
83.05024	1.4
85.02950	28.7
86.03294	0.6
87.00873	5.9
93.03460	9.0
94.03810	0.2
98.19964	0.2
99.04535	1.4
108.02185	0.2
109.02957	2.6
111.00871	1.1
111.04523	2.7
113.02431	0.4
125.02407	0.2
127.04025	5.4
129.01978	0.3
137.02472	0.8
153.01909	0.2
155.03490	0.5
167.80261	0.2
170.71303	0.2
171.03030	1.3
172.03395	0.2
173.04529	2.0
191.05609	100.0
192.05942	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	191.035
Annotation	Pisonin F
Peak:m/z	Relative Intensity
57.03449	0.3
59.01364	0.5
67.01858	0.3
71.01375	0.4
73.02926	0.4
85.02951	4.6
87.00890	2.8
93.03455	0.8
98.19761	0.6
111.00877	6.3
119.05032	1.1
121.02958	100.0
122.03308	2.5
127.04016	0.7
147.04520	5.7
163.04015	1.0
164.33366	0.3
191.01970	0.5
191.03519	7.8
191.05618	10.1
191.10728	0.3
192.03905	0.4
192.05856	0.4
214.47801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03434	0.7
59.01376	3.7
67.01894	1.3
67.51726	0.2
68.78599	0.2
69.03451	0.6
69.26283	0.2
70.03400	0.8
71.01373	2.2
73.02940	0.8
76.76345	0.2
81.03455	1.0
83.01414	0.3
83.05028	1.0
85.02949	27.6
87.00873	5.5
93.03458	7.9
97.02914	0.3
98.19942	0.3
99.04500	1.2
101.02478	0.3
108.02137	0.4
109.02946	2.4
111.00882	3.5
111.04520	2.5
113.02431	0.6
125.02462	0.3
127.04011	4.9
129.01991	0.4
137.02437	0.4
143.65057	0.2
155.03526	0.6
171.02985	1.5
173.04555	2.2
191.05605	100.0
192.05954	3.4
205.46501	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0561
Annotation	Quinic acid
Peak:m/z	Relative Intensity
57.03437	0.7
59.01379	3.6
60.99293	0.2
64.53382	0.1
67.01894	1.2
69.03461	0.8
69.18687	1.3
71.01372	1.9
72.38509	0.2
72.99278	0.3
73.02936	1.3
81.03461	1.1
83.01397	0.2
83.05015	1.1
85.02950	26.0
86.03310	0.3
87.00877	5.7
93.03458	8.4
99.00851	0.3
99.04520	1.3
101.02406	0.3
108.02119	0.2
109.02954	2.4
111.00884	2.0
111.04520	2.2
113.02454	0.3
125.02465	0.2
127.04011	5.1
129.05521	0.2
137.02429	0.4
143.03476	0.2
153.01930	0.3
155.03455	0.4
156.89111	0.2
171.03015	1.4
173.04532	2.0
191.05605	100.0
192.05927	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	191.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.7
57.05799	0.2
58.00587	0.2
59.01375	3.8
63.34401	0.2
67.01884	1.2
67.46668	0.2
69.03442	0.7
70.03841	0.2
71.01379	2.7
71.93568	0.2
73.02946	1.3
73.96275	0.2
81.03462	1.6
81.03918	0.2
81.04060	0.2
83.01368	0.2
83.05020	0.9
85.02950	28.8
86.03291	0.3
87.00336	0.3
87.00875	5.9
87.01385	0.4
91.37537	0.2
93.03458	8.3
93.79652	0.2
94.03812	0.3
95.01392	0.2
97.02910	0.2
99.00835	0.2
99.04516	1.0
101.02464	0.4
107.88890	0.2
108.02211	0.2
109.02967	1.9
111.00887	2.1
111.04510	2.5
113.02446	0.4
120.24004	0.2
127.04014	5.9
128.04382	0.3
129.01981	0.3
137.02483	0.5
153.01938	0.2
155.03479	0.5
171.02965	1.6
173.04550	2.3
191.05606	100.0
192.05974	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0611
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
57.03449	0.5
59.01379	4.0
61.98835	1.7
62.92744	0.4
63.97128	0.3
68.99840	0.5
70.54601	1.4
70.82719	0.4
71.01392	1.4
71.05060	0.4
72.99317	0.7
77.33559	0.4
81.07098	2.6
83.01405	0.8
87.00860	0.4
88.04124	0.4
95.05013	2.1
97.06590	1.7
99.00891	5.6
99.08162	1.4
101.18928	0.4
106.32676	0.4
112.22721	0.4
113.06089	9.3
114.81301	0.4
115.04043	0.9
115.05537	10.0
124.98820	0.5
125.06084	19.3
125.09712	3.4
126.06416	0.8
127.00355	1.0
127.04050	1.1
131.12181	0.4
132.98203	0.6
139.04010	14.1
141.05573	1.7
141.86809	7.3
142.31956	0.4
143.07138	100.0
144.07471	2.8
146.08192	0.9
159.04547	0.4
159.87854	1.8
168.88885	1.4
169.05060	98.7
170.05377	2.8
185.31783	0.4
186.90001	0.7
186.95444	0.4
187.02516	0.9
187.04088	2.9
187.06113	31.9
187.09575	1.9
187.13405	0.5
188.06482	0.9
207.91052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0717
Annotation	1,3-Dimethyl-6,8-isoquinolinediol
Peak:m/z	Relative Intensity
52.53253	0.3
59.01380	0.5
61.98831	0.5
68.99819	0.7
71.52090	0.5
85.79333	0.4
96.00911	42.6
97.01698	13.5
110.02495	0.5
115.05519	0.7
116.05858	1.3
117.03465	0.7
117.39252	0.4
126.10032	1.3
127.07637	0.5
127.14957	0.4
129.05557	1.1
130.04228	1.5
141.86774	1.5
143.05028	0.8
144.04550	0.8
145.06596	12.7
146.06020	0.6
146.09085	0.5
151.49820	0.4
159.87895	0.5
163.17944	0.4
170.06068	0.7
174.03316	0.5
188.07158	100.0
189.05699	0.6
189.07529	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	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.2
57.04943	0.4
59.01380	6.1
60.99312	0.4
67.01895	3.4
69.03472	1.0
69.34924	1.9
69.35351	1.7
71.01385	5.9
72.26396	0.4
72.99321	0.7
73.02948	1.5
80.45953	0.4
81.03474	1.1
83.01377	1.2
83.05036	1.2
85.02950	45.0
86.03310	0.7
87.00877	38.1
88.01202	0.5
93.03455	8.0
95.99059	0.4
99.00879	1.9
99.04560	1.0
100.61777	0.4
101.02446	0.5
109.02962	2.1
111.00883	62.9
111.04491	2.4
112.01247	1.0
112.98799	4.1
115.04014	0.6
125.02441	0.5
127.04021	4.7
129.01941	5.0
129.05698	0.6
129.30692	0.4
130.84723	0.5
130.99818	0.7
137.02438	0.7
143.03427	0.5
150.35684	0.5
164.24832	0.5
171.02977	1.5
173.00851	1.0
173.04529	2.3
191.02043	5.7
191.05606	100.0
192.05934	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	185.0092
Annotation	3-Carboxy-cis,cis-muconate
Peak:m/z	Relative Intensity
52.84761	0.8
57.03436	1.6
59.01377	1.2
62.57026	0.7
67.01899	5.1
68.99776	1.2
69.03461	23.9
69.72428	4.0
71.01376	2.1
78.40932	0.8
78.95902	7.3
79.01902	4.5
83.01384	1.5
85.02954	4.5
95.01394	79.2
96.01730	2.0
97.02355	1.3
97.02956	21.3
97.06616	1.3
110.98544	6.6
111.00875	6.0
111.04504	1.2
113.02467	4.9
123.00896	100.0
123.04488	1.2
124.01167	1.6
126.84465	0.9
139.00374	10.7
140.01122	1.9
141.01950	57.5
141.05560	1.1
142.02310	1.4
166.99867	39.6
168.00142	1.1
185.00880	4.9
185.03467	2.7
185.11880	1.9
186.07784	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	186.0771
Annotation	N-(3-(S)-Hydroxybutyryl)homoserine lactone
Peak:m/z	Relative Intensity
61.98812	1.0
68.94510	0.9
71.01378	1.1
71.50019	1.4
79.21428	0.9
79.95770	0.9
84.04549	21.5
99.00865	2.5
100.04029	1.6
110.44939	0.9
115.05527	2.8
117.23440	0.8
122.80753	0.9
125.09671	1.2
127.00423	1.2
140.07196	2.1
142.08698	9.5
143.07074	1.1
168.06606	1.0
169.05087	1.2
186.07715	100.0
187.08044	3.1
204.38658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0297
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
55.47105	0.2
59.32264	0.2
62.95504	0.2
65.00310	0.8
67.01882	0.9
68.99818	0.5
69.59901	0.4
69.60304	0.9
71.01380	0.7
72.99319	0.8
73.06739	0.2
78.01112	0.6
81.03435	0.2
82.00591	1.0
83.01386	0.9
84.99290	0.2
86.00079	0.4
87.00872	0.5
95.01395	0.4
98.20635	0.3
106.00564	0.3
110.00086	1.5
111.00885	7.2
111.78201	0.2
112.01260	0.3
123.00877	1.4
124.01665	10.4
127.00370	3.0
136.98808	5.1
139.00368	6.6
140.01160	12.4
141.01527	0.5
151.00339	0.7
154.99829	0.7
168.00641	12.7
169.00999	0.4
183.02980	100.0
184.03323	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	183.0298
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
54.30195	0.1
55.01862	0.4
59.01368	0.2
59.10505	0.1
59.73491	0.1
65.00325	0.9
67.01889	1.4
68.99804	0.9
69.66989	0.5
69.67402	0.3
69.95118	0.1
71.01389	1.1
72.49326	0.1
72.99315	1.0
73.22224	0.1
78.01118	0.4
78.16447	0.1
78.27480	0.1
82.00602	1.2
83.01383	1.4
86.00093	0.5
87.00882	0.6
95.01392	0.5
96.99310	0.4
98.20570	0.1
99.00893	0.3
106.00609	0.3
110.00100	1.9
111.00882	10.1
112.01251	0.3
123.00875	1.4
124.01660	14.1
124.98798	0.2
125.01974	0.5
127.00378	4.1
136.98807	6.9
139.00377	8.7
139.04048	0.3
140.01163	15.3
141.01497	0.4
142.13556	0.1
151.00375	0.9
154.99872	1.3
168.00644	16.2
169.00975	0.9
183.02989	100.0
184.03320	5.0
203.86821	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12814	0.1
55.01881	0.2
58.00583	0.2
65.00333	0.8
65.28015	0.1
67.01888	0.5
68.99806	0.5
69.67159	0.8
71.01382	0.7
72.99317	0.6
78.01131	0.2
81.61752	0.1
82.00626	0.7
83.01400	0.8
84.47557	0.1
84.99332	0.1
86.00098	0.3
87.00897	0.2
95.01377	0.4
96.99303	0.3
98.19908	0.1
99.00902	0.2
105.87334	0.2
106.00608	0.3
110.00092	1.1
111.00884	6.6
112.01256	0.2
114.18082	0.1
123.00887	0.7
124.01662	7.5
124.98782	0.2
125.02001	0.2
127.00373	2.4
128.00723	0.2
136.61711	0.1
136.98814	4.3
139.00378	6.3
139.04036	0.1
140.01167	10.5
141.01511	0.4
151.00372	0.6
153.01968	0.1
154.99852	0.9
168.00644	14.4
169.00996	0.6
183.02985	100.0
184.03329	5.1
184.04993	0.2
203.23808	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	184.0615
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
59.01380	53.2
62.17711	0.7
69.03451	1.3
70.02992	3.0
70.88823	0.6
71.01379	12.6
76.52789	0.6
77.46477	0.7
78.44572	0.7
80.05052	0.7
84.04546	9.6
94.02985	4.7
95.01380	0.9
95.05033	2.9
96.00888	0.8
96.92919	0.6
97.01697	4.9
97.06577	0.7
98.06144	0.8
110.02477	2.9
112.04049	100.0
113.02436	2.7
113.04390	2.5
113.06081	1.5
122.06128	9.6
123.04149	0.7
124.04044	75.1
125.02463	1.2
125.04388	1.4
140.07176	30.3
154.02277	1.9
166.05066	5.6
169.00929	1.1
169.04578	2.1
184.06125	63.5
185.06427	1.6
185.09251	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
58.02973	1.2
59.01382	2.1
60.18182	0.9
61.14128	1.0
61.98813	3.0
65.00311	1.1
66.03467	1.1
67.01907	6.3
68.99807	1.5
69.03458	24.2
71.01387	2.0
72.99303	2.0
73.85330	0.8
78.95914	14.4
79.01894	3.7
83.01389	2.1
83.04982	1.1
84.04537	1.2
85.02945	4.6
95.01390	76.1
95.05000	1.0
96.01688	1.0
96.96940	4.1
97.02959	20.9
97.06570	1.8
103.48359	0.8
103.95013	0.8
104.36538	0.8
110.97831	1.4
110.98542	16.5
111.00877	7.4
111.04597	0.7
113.02441	6.3
114.09213	2.6
123.00891	100.0
123.04511	3.1
124.01230	2.5
125.02468	1.1
125.99542	1.1
126.19033	0.9
139.00388	9.9
139.87206	1.0
140.01112	2.1
141.01941	54.3
141.05617	1.0
141.09256	1.4
142.02307	1.4
142.96608	1.8
152.99535	1.0
166.99855	29.0
167.03432	1.7
185.00883	5.2
185.03427	1.9
185.05948	1.4
185.09425	4.5
185.11806	2.6
185.15477	1.3
186.07664	2.8
204.61018	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0143
Annotation	Fomecin B
Peak:m/z	Relative Intensity
58.69167	0.4
59.01386	3.5
59.98516	0.5
65.00324	39.5
65.98004	0.4
66.00668	0.7
67.01891	0.5
68.99809	0.7
69.03443	1.5
70.26180	0.9
70.26579	0.8
71.01381	3.5
72.99287	0.6
73.02933	0.9
81.03446	0.9
82.00615	1.4
83.01386	1.4
85.02945	0.8
87.00880	0.7
89.02453	3.1
92.16164	0.4
93.03452	5.7
94.00617	0.8
94.03764	0.5
95.01387	1.0
97.02950	80.3
98.03285	1.3
98.19965	0.4
101.02445	4.7
109.02975	1.2
109.06568	0.5
110.00114	1.3
113.02457	0.6
118.52429	0.4
119.03480	0.6
119.05016	1.0
120.99299	2.5
123.00874	1.2
125.02420	2.1
135.04518	1.3
136.98785	1.2
137.02408	1.0
137.06055	0.7
137.09738	0.8
137.99590	1.8
151.00316	3.1
153.01932	100.0
154.02257	3.2
163.04007	1.0
163.06190	0.6
165.53047	0.4
166.02695	3.1
166.99901	0.6
181.01427	29.0
181.07301	2.5
181.08691	0.7
182.01956	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	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39862	0.2
59.01370	0.6
61.79580	0.3
61.98824	0.7
69.19843	2.2
74.53690	0.2
79.95749	0.3
87.00884	0.5
98.20673	0.5
119.93655	1.1
134.96091	53.5
135.96158	3.1
136.94009	100.0
137.94092	5.5
138.94435	0.4
148.83627	0.2
151.92720	17.9
152.92790	1.0
161.04538	0.5
178.95067	58.4
179.95171	3.1
196.96075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.056
Annotation	D-Fructose
Peak:m/z	Relative Intensity
55.01881	1.3
57.03449	1.2
58.00591	5.3
59.01379	100.0
60.01707	0.7
70.30424	0.8
70.30813	1.1
71.01381	85.3
71.05019	1.2
72.01718	0.6
72.99304	8.0
73.02953	3.5
75.00871	33.0
78.19781	0.4
81.03448	2.6
83.01396	2.2
85.02946	8.4
87.00873	8.1
88.01232	0.5
89.02444	38.4
95.01385	2.6
97.02952	1.4
99.00912	3.5
101.02447	6.6
105.01945	0.8
113.02446	6.1
117.01902	1.1
119.03486	0.7
125.02428	1.2
125.07310	0.5
131.03516	1.6
136.93987	0.4
143.03517	3.1
161.04541	6.6
179.05612	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Dehydroerythorbic acid
Peak:m/z	Relative Intensity
53.00303	3.4
55.01877	7.3
57.03433	3.7
58.00592	1.5
59.01387	8.0
65.03983	0.8
67.01891	2.3
68.99810	3.6
69.03458	2.2
69.35058	0.8
69.35737	6.2
71.01385	92.4
72.01688	1.3
72.94378	0.9
72.99302	5.3
73.02946	18.9
80.12973	0.8
80.99817	2.3
81.03468	2.0
83.01387	7.8
83.05027	6.4
84.99268	1.1
85.02938	6.6
86.10341	1.1
87.00887	5.4
93.03462	37.5
94.03803	1.3
95.70256	0.9
96.99323	6.7
99.00885	32.7
99.04496	4.7
100.07684	1.1
101.02457	1.0
101.88224	0.8
109.02909	1.2
111.00885	6.6
111.03829	1.1
111.04529	11.8
111.52354	0.8
112.98814	38.2
115.00382	4.4
124.98809	34.7
128.07170	1.3
129.01923	3.5
137.02457	8.5
140.98285	3.6
142.99863	100.0
144.00185	2.9
155.03503	3.1
173.00908	7.8
173.04480	3.1
173.08081	1.3
174.07655	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
66.53222	0.3
67.01891	0.3
69.03458	4.4
69.28925	1.9
69.29335	0.6
79.01896	2.5
81.03447	1.5
83.01423	0.3
87.73062	0.3
88.84123	0.3
95.01401	1.2
97.02951	3.2
107.01386	0.8
123.00860	0.5
124.01664	1.0
125.02450	100.0
126.02772	2.9
169.01422	31.6
170.01712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02995	1.4
67.01911	0.8
71.01391	0.4
73.02950	0.5
82.06656	0.7
82.65285	0.3
89.06004	0.3
93.03455	3.1
111.04515	0.5
112.63419	0.3
112.98818	0.4
114.81174	0.3
128.10809	2.6
130.08739	100.0
131.09061	2.4
144.04601	0.3
172.09773	11.1
173.04550	0.4
173.10168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	2.8
55.01872	8.5
57.03432	3.2
58.00588	2.3
59.01380	12.9
65.03945	2.1
67.01886	3.8
68.99806	3.0
69.03452	3.0
70.04436	1.7
70.04841	2.0
70.35059	1.1
71.01382	87.8
72.01711	2.2
72.99300	4.7
73.02946	54.4
80.99847	1.2
81.03462	6.1
83.01391	10.7
83.05028	20.8
84.99344	1.7
85.02942	13.4
87.00884	9.4
89.07000	1.1
93.03459	100.0
94.03818	2.7
96.99313	3.3
99.00883	31.9
99.04519	15.3
101.02434	2.1
103.14484	1.1
109.02921	1.2
111.00886	11.5
111.04522	30.9
112.98813	82.6
113.99131	1.5
115.00397	5.7
118.48373	1.0
124.98819	16.0
129.01944	5.8
129.05560	1.8
137.02449	22.4
140.98297	2.2
142.99863	53.4
143.03493	4.7
144.00148	1.7
155.03473	8.9
173.00893	4.3
173.04523	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	164.0718
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.89738	0.5
69.91834	2.7
70.71027	0.5
72.00914	40.8
72.13610	0.5
73.01238	0.6
75.00880	0.6
87.00895	2.1
91.05535	2.8
103.05544	8.3
105.01938	1.2
118.06631	1.1
119.05035	1.7
120.05368	0.7
121.02946	1.8
147.04533	100.0
148.04883	4.1
150.03239	0.9
164.07176	41.8
165.03949	1.3
165.07518	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	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
50.08598	0.3
54.25976	0.3
55.88430	0.3
59.01378	0.7
70.93302	0.7
75.00862	0.5
77.03974	2.6
87.00877	3.2
92.99810	0.6
93.03453	1.9
99.59904	0.3
105.01920	2.4
109.02950	0.6
121.02962	100.0
122.03278	3.5
123.04514	0.3
126.36452	0.3
137.02446	1.3
150.03250	0.7
164.89551	0.6
165.01929	7.9
165.04079	0.9
165.05569	1.4
165.09177	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31491	0.3
55.43358	0.4
58.02977	100.0
59.02674	0.4
59.03313	0.8
65.00336	1.1
66.03501	0.4
66.76959	0.3
68.99830	0.6
69.03449	0.8
69.91122	0.7
69.91518	0.9
70.02974	1.0
78.63630	0.3
81.03472	0.5
84.95148	0.3
92.21784	0.4
97.02985	1.2
109.89465	0.4
115.44814	0.4
122.89476	0.5
125.02448	14.6
125.99554	0.5
140.01299	0.4
147.70670	0.4
151.11334	0.4
153.99141	0.4
157.34541	0.3
168.06581	0.5
168.13939	7.4
168.15244	0.6
168.83542	1.8
169.01434	5.0
169.27284	0.3
187.75983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0144
Annotation	Gallate
Peak:m/z	Relative Intensity
67.01899	0.9
69.03462	4.5
70.04103	1.2
71.07819	0.3
79.01897	2.2
81.03456	1.7
83.01414	0.6
95.01398	1.0
97.02968	3.7
98.20630	0.3
107.01418	0.9
117.37189	0.3
123.00919	0.4
124.01665	1.9
125.02456	100.0
126.02795	2.5
151.11996	0.3
169.01437	31.6
170.01799	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	163.0403
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
60.37035	0.3
69.29575	1.2
69.30009	0.9
79.95746	0.3
91.01932	0.3
91.05534	0.3
93.03439	1.3
101.02452	0.3
119.05036	100.0
120.05365	3.8
131.04649	0.2
135.00876	0.3
135.04576	0.4
136.08228	0.2
162.83919	1.7
162.89421	0.5
163.00369	0.9
163.04019	6.5
163.06149	0.3
163.07591	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
50.71813	0.1
59.01378	0.2
66.25274	0.1
69.29477	0.1
70.81674	0.4
72.00921	0.2
73.02943	0.2
77.41882	0.1
78.73570	0.1
85.02948	0.3
91.01920	0.2
91.05534	0.8
93.03458	1.2
101.02438	0.1
117.03436	0.4
119.05024	100.0
120.05354	4.1
121.02946	0.2
122.03723	0.2
135.04527	0.3
147.04541	0.5
162.89314	0.3
163.00368	0.6
163.04007	5.8
163.06125	0.2
163.07648	0.4
164.04378	0.3
164.07191	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0614
Annotation	(+)-Quercitol
Peak:m/z	Relative Intensity
55.76357	0.6
57.03452	1.3
59.01397	1.4
69.03454	0.8
71.01389	13.7
71.05024	2.5
71.49575	0.7
72.99316	2.6
73.02950	100.0
74.03269	1.9
75.00900	1.1
80.38441	0.6
81.03465	10.6
83.01384	5.8
83.05035	5.6
84.02162	0.8
85.02946	1.7
87.00881	0.9
87.04519	2.6
89.02456	2.0
89.94778	0.6
96.06251	0.6
99.04526	20.4
101.02467	3.6
109.02988	1.2
119.04252	1.1
119.05026	10.7
120.05398	0.9
125.28583	0.6
143.03508	1.7
145.05081	25.7
145.37387	0.6
161.22249	0.5
162.89322	0.7
163.00366	1.0
163.06139	38.9
164.06493	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1124
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
51.45535	1.0
59.01371	1.1
70.74903	1.2
71.50153	1.5
73.09422	1.0
101.02454	1.4
116.92085	2.7
117.44070	1.1
119.05041	47.9
120.05376	1.9
147.08133	1.5
149.81613	1.0
163.00395	2.7
163.04083	2.5
163.11298	100.0
164.11604	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	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
59.69210	0.5
69.32164	4.2
72.00907	43.6
78.39960	0.5
87.00896	1.3
91.05530	3.3
93.03428	0.6
98.20664	1.1
103.05540	5.4
105.01933	0.9
112.86005	0.4
118.06654	0.6
119.05029	2.5
120.05367	2.0
121.02966	4.4
147.04518	100.0
148.04860	4.2
164.07164	43.2
165.02016	0.6
165.07506	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	158.0824
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
52.24300	0.3
55.01881	0.8
57.03458	0.9
58.02979	1.7
59.01388	1.4
61.98852	0.4
62.61757	0.3
68.99828	1.3
69.03469	0.6
71.01382	4.3
71.26942	0.3
71.50179	0.4
71.50571	0.4
72.99335	0.5
73.02940	4.0
75.00845	0.4
83.01396	0.8
85.02942	2.1
87.00875	2.8
95.01427	0.3
97.02954	0.6
97.06582	0.5
99.00887	2.4
99.04531	0.3
99.92548	0.7
101.02451	1.6
111.00887	2.9
113.02447	1.1
114.09254	5.8
114.94966	0.3
115.00364	0.6
115.07745	0.4
116.07178	100.0
116.92869	1.1
116.94019	0.5
117.07521	3.3
127.04005	3.8
128.05014	0.4
129.01947	2.7
130.06612	0.5
141.01978	0.4
158.03587	5.3
158.06099	1.3
158.08208	13.9
158.89282	1.3
159.03017	4.4
159.04352	0.7
159.06697	0.5
161.04742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0616
Annotation	beta-Alanopine
Peak:m/z	Relative Intensity
55.01897	0.7
56.05046	0.7
57.03452	8.8
58.02977	40.4
59.01381	13.2
60.99289	0.8
69.03470	1.5
70.02975	1.9
70.97488	1.3
71.01385	10.3
72.04559	1.2
72.99297	2.3
73.02945	6.6
74.02473	14.9
75.00867	0.7
81.03460	2.0
82.42752	0.6
83.01392	3.2
84.04553	21.8
85.02953	12.4
86.06118	4.9
87.00883	5.2
88.04043	100.0
89.02443	1.8
89.04387	1.8
91.12573	0.6
97.02954	1.4
98.02483	4.4
98.06112	9.7
99.04508	0.9
101.02441	2.8
112.04073	3.9
113.02455	2.5
114.05618	8.2
116.03563	3.2
118.05119	11.8
125.02418	0.6
129.01945	0.6
130.05110	18.2
130.06033	1.3
131.03525	4.0
142.05110	2.2
142.89104	1.0
143.03471	0.8
158.04543	0.6
159.89401	9.9
160.06152	24.0
160.84198	2.9
160.89281	7.7
161.02472	1.4
161.04578	7.0
161.06528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.7
56.05046	0.7
57.03452	8.8
58.02977	40.4
59.01381	13.2
60.99289	0.8
69.03470	1.5
70.02975	1.9
70.97488	1.3
71.01385	10.3
72.04559	1.2
72.99297	2.3
73.02945	6.6
74.02473	14.9
75.00867	0.7
81.03460	2.0
82.42752	0.6
83.01392	3.2
84.04553	21.8
85.02953	12.4
86.06118	4.9
87.00883	5.2
88.04043	100.0
89.02443	1.8
89.04387	1.8
91.12573	0.6
97.02954	1.4
98.02483	4.4
98.06112	9.7
99.04508	0.9
101.02441	2.8
112.04073	3.9
113.02455	2.5
114.05618	8.2
116.03563	3.2
118.05119	11.8
125.02418	0.6
129.01945	0.6
130.05110	18.2
130.06033	1.3
131.03525	4.0
142.05110	2.2
142.89104	1.0
143.03471	0.8
158.04543	0.6
159.89401	9.9
160.06152	24.0
160.84198	2.9
160.89281	7.7
161.02472	1.4
161.04578	7.0
161.06528	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
55.01879	7.9
57.03441	1.5
58.00589	2.1
59.01109	2.1
59.01382	23.4
69.03461	3.2
69.73022	6.4
71.01381	34.0
72.99278	2.9
73.02949	42.8
73.94186	1.5
75.00873	5.8
85.02955	4.7
87.00872	13.0
89.02446	100.0
98.20551	2.4
101.02454	4.3
103.04014	6.0
122.75541	1.3
131.03499	13.1
134.34975	1.3
149.03363	2.4
149.04555	44.9
150.04869	1.9
151.99449	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	152.0113
Annotation	2,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
65.00320	2.0
66.03494	1.4
67.01920	0.6
68.99836	0.7
69.03451	1.4
69.83605	2.4
71.01373	1.0
79.95747	1.5
81.03461	3.7
83.01395	1.0
85.02973	2.5
89.02443	0.5
95.01388	4.0
97.02950	3.3
103.97739	0.4
108.02180	100.0
108.04562	1.9
109.02972	53.0
110.00116	2.5
110.02484	2.7
122.03815	0.6
122.06161	0.6
123.00896	4.3
123.04548	2.5
124.04049	1.8
124.04860	0.7
125.02474	2.3
136.01654	0.6
137.01985	1.4
137.99608	2.8
138.03209	1.6
151.00343	0.6
152.01163	20.5
152.03448	5.2
152.07184	1.1
153.01947	18.0
153.03163	1.0
153.05589	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	152.0355
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
58.82533	0.3
65.00324	2.5
66.03487	0.9
68.99792	0.4
69.53069	0.4
69.53474	1.4
80.99854	0.3
81.03474	1.2
88.08247	0.3
93.15356	0.3
96.73835	0.2
97.02974	1.3
108.02171	2.2
108.04568	1.2
109.02956	21.7
109.06595	0.4
110.00134	0.8
121.02924	1.3
122.03745	45.6
123.04024	2.0
125.02429	0.8
137.01993	0.4
137.99609	1.0
138.03218	0.4
151.00359	0.5
151.87445	0.3
152.03535	100.0
153.01971	5.3
153.03880	3.9
153.05598	0.7
156.36256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0194
Annotation	3,4-Dihydroxytropolone
Peak:m/z	Relative Intensity
61.66853	0.5
65.00324	88.9
65.33343	0.5
66.00668	2.3
68.89216	0.5
69.03449	1.4
71.28130	0.8
76.84441	0.6
81.03458	1.0
82.00625	1.3
83.01385	1.9
89.02464	0.6
94.00582	0.9
95.01402	1.8
96.99343	0.7
97.02949	100.0
98.03285	2.9
104.47358	0.5
108.02174	1.1
109.02958	10.2
110.00083	3.5
120.99301	3.9
123.04533	0.9
125.02417	2.6
125.99601	0.7
137.99570	4.4
138.03145	0.5
149.01053	0.5
151.00389	0.6
153.01935	23.3
153.05580	1.4
154.02280	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0558
Annotation	Hydroxytyrosol
Peak:m/z	Relative Intensity
57.03434	0.3
62.80810	0.3
63.55603	0.3
65.00323	1.8
65.72967	0.3
67.01893	0.3
68.99824	0.6
69.03452	0.7
69.80204	1.2
71.01382	0.4
81.03453	2.9
82.02997	0.4
85.02940	2.4
93.03439	0.8
95.01384	2.6
95.05039	2.1
97.02936	2.6
98.19959	0.4
99.12955	0.3
105.03477	0.5
108.02174	36.7
109.02956	52.4
110.00114	1.0
110.03297	2.0
113.02428	0.3
121.02956	0.4
122.03732	2.4
123.00922	2.7
123.04521	100.0
124.04019	0.7
124.04851	4.8
125.02427	0.8
135.04471	0.4
137.99602	1.5
138.03160	0.5
153.01935	17.7
153.05559	13.9
153.86862	0.4
154.02321	0.9
169.35536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1286
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
61.98815	0.9
62.16122	0.8
65.00325	9.8
66.03496	1.4
67.01898	0.9
67.87109	0.7
68.43841	0.7
68.99837	1.3
69.03449	1.6
71.05023	1.5
71.50909	1.1
72.92417	1.0
80.99837	1.2
81.03454	5.0
82.03000	1.6
83.01395	1.5
91.01913	1.1
95.01371	1.3
96.99343	0.8
97.02940	8.5
97.06584	11.2
99.08173	4.0
108.02170	12.0
109.02953	100.0
109.06553	2.1
110.00095	3.8
110.02563	1.2
110.03277	5.8
112.98492	0.7
123.00934	1.2
123.04503	3.0
124.01681	1.1
124.04021	1.7
124.98753	1.2
125.02442	3.7
125.09702	1.3
127.36686	0.8
135.04544	1.2
136.04065	1.5
137.09644	1.4
137.99591	7.1
138.03203	1.7
151.00345	2.3
151.11374	0.9
151.72455	0.8
153.01930	25.7
153.05559	3.6
153.09285	0.9
153.12849	37.4
153.86868	37.4
154.01367	1.5
154.02411	1.0
154.05069	1.2
154.13135	1.4
169.80009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26864	0.8
56.77541	0.9
57.03451	4.9
59.01382	11.5
66.52819	0.8
70.02969	1.5
71.01377	11.4
71.05025	5.3
71.50452	1.7
72.99310	4.2
74.02470	10.8
75.00864	2.7
77.45054	0.9
82.02989	2.6
83.01389	1.1
84.04542	4.0
85.02953	8.4
87.00872	6.2
88.01205	1.0
89.02417	1.2
92.96002	1.4
98.02449	2.7
99.00876	2.3
100.07645	1.1
101.02423	2.8
101.06066	3.8
102.05609	100.0
103.04002	1.4
103.05923	2.5
104.03541	1.4
106.42700	0.9
111.76303	0.9
116.03526	2.2
118.10314	0.9
128.03540	32.8
129.01938	5.9
129.03918	1.6
130.53043	0.8
146.02454	0.9
146.04599	14.0
146.86671	1.4
147.02980	1.3
147.06612	4.5
164.65250	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88340	0.8
53.96617	0.7
57.03442	3.8
58.00557	1.0
59.01375	11.0
59.33705	0.9
69.13132	0.8
70.02945	1.1
71.01381	11.5
71.05016	2.5
71.49585	1.2
72.99295	2.5
74.02473	11.8
75.00869	3.3
82.02979	1.7
83.01353	0.9
84.04536	5.5
85.02940	6.4
87.00878	4.7
88.01221	0.9
98.02466	3.9
99.00900	1.8
100.04037	1.3
101.02449	1.8
102.05610	100.0
103.05962	3.0
116.03548	2.1
128.03543	33.7
129.01929	4.0
129.03940	1.8
146.04601	12.0
146.86694	2.1
147.02957	1.4
147.06645	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	149.0455
Annotation	L-xylulose
Peak:m/z	Relative Intensity
51.07113	1.2
55.01878	5.0
59.01382	18.3
69.03462	2.8
71.01384	36.0
71.07522	2.7
71.70074	1.4
72.99297	3.1
73.02949	38.3
75.00876	4.9
77.64916	1.2
85.02962	3.4
86.77559	1.5
87.00871	10.5
89.02444	100.0
90.02755	2.2
91.20754	1.2
101.02432	2.9
103.04019	8.7
131.03491	7.5
144.54131	1.3
148.95369	1.9
149.04565	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00324	19.4
59.01374	9.8
67.86016	3.8
70.14966	9.1
70.15358	9.6
71.01387	52.2
71.23061	4.2
80.99816	6.0
82.02982	14.3
87.00889	8.5
96.99317	26.6
112.98826	31.8
115.00384	8.4
124.98831	45.9
129.79520	4.3
140.98283	12.4
142.99863	100.0
143.03539	4.4
144.06668	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30568	3.0
50.53094	2.6
52.74727	2.4
53.00305	23.8
55.01892	2.3
58.93495	2.9
59.01364	7.6
65.97392	2.7
67.41415	2.9
68.99802	6.9
71.01376	49.9
71.16393	5.2
72.99286	3.4
74.02462	11.5
74.02872	3.4
80.99821	6.8
82.02984	91.0
84.44301	2.7
85.09541	2.7
87.00885	14.3
96.99326	26.3
99.04503	3.8
105.04922	2.8
112.98815	39.9
115.00353	5.1
124.98805	62.0
132.16615	2.5
140.98303	11.0
142.99857	100.0
144.03055	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	144.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00946	0.5
52.01894	2.0
55.91158	0.5
68.01392	1.0
68.99818	1.4
69.62121	1.1
69.62537	2.4
74.02474	20.5
82.02986	100.0
83.03336	3.2
84.04544	0.8
84.50072	0.6
98.19952	0.6
100.04065	4.5
127.05080	0.6
144.03018	8.9
144.86975	2.8
145.06039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
53.91942	0.6
67.01883	1.1
69.03481	0.7
69.62969	0.8
71.27900	1.1
80.39996	0.5
93.03468	0.8
94.03796	2.4
95.01373	0.8
105.34438	0.6
108.02171	77.7
109.02522	3.8
111.00902	3.3
123.03262	0.7
138.01967	100.0
139.00385	1.5
139.02299	5.0
139.04028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	140.0116
Annotation	1-Hydroxy-2-aminoethylphosphonate
Peak:m/z	Relative Intensity
82.00599	2.5
85.02951	1.5
89.36011	1.3
98.00105	2.4
111.00877	20.9
112.01208	3.1
113.34946	1.2
115.35770	1.2
125.99593	22.0
139.00369	66.1
140.01161	100.0
140.07159	1.7
141.01624	4.0
155.55573	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	142.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	24.9
59.01378	7.0
68.99805	5.2
69.85582	15.3
69.85999	7.6
71.01382	45.1
71.53732	4.1
74.02464	14.7
80.99812	11.4
82.02986	88.7
87.00866	14.5
96.99302	29.7
104.94638	4.1
112.98805	42.7
115.00374	9.2
124.98811	67.3
136.77722	4.6
137.18079	5.0
140.98283	10.9
142.99858	100.0
144.03059	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	137.0245
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
57.24401	0.2
61.69651	0.2
65.03970	1.4
69.70586	1.4
79.35669	0.2
93.03459	100.0
94.03799	4.9
98.20539	0.5
108.02151	0.4
137.02449	12.8
138.01933	0.4
138.02861	0.4
144.32071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.12129	0.5
55.01850	0.4
62.84336	0.5
69.36251	1.3
69.36655	2.4
79.35755	0.4
85.58851	0.5
86.13629	0.7
90.45475	0.5
93.03486	0.7
94.03787	0.7
98.20655	0.8
101.70496	0.4
108.02173	78.8
109.02486	4.2
111.00890	1.0
138.01970	100.0
139.02333	3.7
146.70630	0.5
151.87669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
57.75135	0.8
59.01380	1.8
60.62189	1.1
61.81024	0.9
71.01382	85.4
71.06940	1.6
72.01713	1.5
72.98945	1.5
72.99313	19.0
73.03206	1.0
76.75319	0.9
87.00880	2.6
89.02433	9.3
115.00372	100.0
116.00698	3.9
133.01443	17.4
133.05103	1.1
135.40341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06199	0.6
58.67868	0.6
59.01359	1.0
68.02549	0.7
71.01374	0.7
71.50041	0.8
72.01727	1.2
72.99316	1.9
75.00871	9.2
87.00880	1.0
92.02545	10.0
107.03636	39.5
107.05067	1.7
108.04022	0.7
116.00725	1.7
116.19782	0.6
118.09866	0.5
119.73818	0.6
134.04729	100.0
134.86539	3.5
134.89508	0.8
135.02994	2.2
135.04536	5.4
135.05240	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.1
61.03298	0.5
66.49174	0.5
70.64302	1.1
71.01390	1.9
72.99312	7.2
75.00873	37.4
76.01205	0.5
87.00872	0.9
89.02441	2.7
96.85396	0.5
99.00895	0.5
107.04983	0.5
111.31694	0.4
117.01973	0.8
123.79048	0.5
134.03789	0.7
134.88371	100.0
135.03003	8.0
135.04535	4.2
135.88412	5.1
136.93968	0.6
139.06404	0.5
144.42447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
50.29375	1.1
65.00330	2.1
65.03959	7.6
67.01886	6.1
91.01891	54.6
92.02251	2.3
93.03456	52.6
94.03809	2.4
98.19829	1.6
109.02960	18.5
134.00034	1.1
135.00888	71.4
136.01228	3.9
136.89236	1.3
137.02443	100.0
138.02773	4.4
153.01936	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	137.0245
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
57.31485	0.3
65.00336	0.5
65.03969	1.2
67.29066	0.3
69.77515	2.0
81.03426	0.6
91.01881	3.0
93.03458	100.0
94.03790	5.0
108.02171	0.9
109.02942	1.7
135.00873	3.0
136.01651	1.3
136.89192	0.5
137.02444	23.5
137.06007	0.4
138.01857	0.5
138.02802	1.6
138.03751	0.4
138.05598	0.4
153.01921	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0559
Annotation	3-Oxohexanoic acid
Peak:m/z	Relative Intensity
55.01873	11.9
57.03453	31.2
59.01377	11.7
60.92231	3.7
67.01878	13.6
68.99812	12.6
69.32333	17.0
69.32758	13.8
71.01366	12.0
71.56771	3.5
72.99285	6.6
73.02946	8.2
81.36249	3.8
83.01360	4.7
83.05022	38.0
85.02519	3.9
85.02955	35.1
85.06593	100.0
86.06924	5.1
87.00890	5.0
88.04066	7.3
98.20602	7.9
99.00937	3.9
101.02432	10.7
111.00856	5.3
111.04524	27.6
112.90673	5.6
125.25405	3.5
128.90157	54.3
129.01964	27.4
129.03882	3.9
129.05612	31.7
129.07530	11.4
129.09143	3.7
130.08725	33.3
148.17751	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	130.0874
Annotation	Isoleucine
Peak:m/z	Relative Intensity
57.03442	2.4
62.31951	1.2
68.02206	1.2
69.33206	8.9
71.01382	1.9
71.81619	1.3
73.02943	1.5
85.02943	11.5
87.04507	5.4
88.02152	1.3
88.04027	6.4
113.02475	1.5
114.86960	1.6
130.08742	100.0
131.03505	4.2
131.09056	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88504	1.1
59.01364	2.2
59.21849	1.3
68.48059	1.4
69.95520	4.7
69.95917	2.6
71.01381	89.2
72.01717	2.3
72.99307	22.5
80.02919	1.3
86.85406	1.2
87.00881	2.1
87.71221	1.3
89.02433	9.0
95.72538	1.2
96.80881	1.2
111.88504	1.1
114.30644	1.2
115.00374	100.0
116.00697	3.5
133.01442	17.7
133.05026	1.7
148.19699	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	129.0195
Annotation	Mesaconate
Peak:m/z	Relative Intensity
51.69529	4.8
52.18760	3.7
55.01873	13.7
56.99058	4.0
57.03450	40.8
57.62880	3.5
67.01890	100.0
68.99483	4.6
68.99816	23.4
69.71214	24.1
71.01368	14.2
71.07043	4.5
72.99308	6.7
73.02958	10.8
85.02940	23.0
87.00874	7.7
88.04037	53.9
95.99445	5.0
98.19986	6.8
101.02410	5.1
119.86848	4.2
128.89220	6.8
129.01909	25.1
129.03923	6.0
130.08731	7.6
130.47092	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	129.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.2
57.03449	10.5
59.01387	2.2
67.01893	32.0
68.99809	10.5
69.35098	9.8
69.60515	1.1
71.01395	5.6
72.99309	4.7
73.02969	2.8
75.75612	1.2
76.12029	1.1
83.01381	1.7
85.02946	7.2
87.00888	3.9
87.84898	1.2
88.04038	20.2
88.38606	1.2
99.00900	1.4
100.48459	1.1
100.53578	1.3
101.02457	2.7
107.62176	1.1
109.84136	1.4
129.01945	8.9
129.03880	4.6
129.07552	2.2
130.08740	100.0
141.33153	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	125.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23534	1.4
55.57059	1.3
69.03459	12.1
69.24009	8.8
69.24422	4.1
74.82143	1.3
79.01888	6.4
81.03458	4.7
82.02988	3.1
83.01402	2.4
86.96710	1.3
95.01410	2.6
96.99303	9.5
97.02940	12.7
98.20680	3.3
107.01428	2.0
124.01654	4.9
124.98832	5.2
125.02454	100.0
126.02789	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	125.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60729	1.1
67.01894	1.4
69.03456	13.8
70.98098	1.8
70.98432	2.0
73.72572	1.1
79.01888	5.3
81.03465	3.5
83.01370	1.6
87.67018	1.2
89.01175	1.3
95.01373	2.7
96.99315	2.4
97.02959	9.8
106.37057	1.2
107.01400	2.4
124.01679	4.2
124.98795	1.4
125.02451	100.0
126.02837	3.7
128.47575	1.2
132.79405	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	125.0245
Annotation	Hydroxyhydroquinone
Peak:m/z	Relative Intensity
55.95866	1.2
57.26358	1.1
61.92094	1.3
69.03448	12.8
79.01896	4.8
81.03471	3.9
83.01369	2.6
84.66569	1.2
93.69916	1.3
97.02954	10.0
107.01388	1.6
124.01665	3.3
125.02444	100.0
126.02780	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	128.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.4
55.12233	2.4
57.03447	8.2
66.04810	1.8
67.01891	16.2
68.99809	6.9
70.24725	3.0
70.25118	4.1
71.01367	2.3
72.99282	2.6
82.03001	4.6
85.02946	3.1
87.00866	1.8
94.01250	1.8
96.86413	1.6
102.91309	1.6
115.17590	1.5
128.03543	100.0
128.07195	7.3
129.01923	6.5
129.03915	4.1
134.21249	1.9
139.20651	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	128.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.4
55.12233	2.4
57.03447	8.2
66.04810	1.8
67.01891	16.2
68.99809	6.9
70.24725	3.0
70.25118	4.1
71.01367	2.3
72.99282	2.6
82.03001	4.6
85.02946	3.1
87.00866	1.8
94.01250	1.8
96.86413	1.6
102.91309	1.6
115.17590	1.5
128.03543	100.0
128.07195	7.3
129.01923	6.5
129.03915	4.1
134.21249	1.9
139.20651	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	128.0354
Annotation	Pyroglutamic acid
Peak:m/z	Relative Intensity
51.21996	1.1
55.01873	2.5
56.82410	1.0
57.03450	7.3
67.01887	22.5
68.99812	3.2
71.01380	2.1
72.99315	1.7
81.60056	1.1
82.02988	3.1
83.01371	1.9
85.02957	9.0
90.73094	1.1
101.02434	1.4
106.64064	1.0
124.25458	1.2
128.03537	100.0
128.07144	3.5
128.89207	13.3
129.01921	3.8
129.03868	5.1
147.16194	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	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
61.82949	0.6
70.98246	1.5
73.02946	100.0
73.10608	0.5
74.03264	2.8
74.09535	0.6
77.45184	0.6
84.04091	0.6
95.37705	0.5
99.00884	7.8
99.92604	2.4
116.92859	7.2
117.01954	10.3
117.92812	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
52.16204	0.5
52.82592	0.5
55.01871	0.6
70.70049	1.0
70.70387	0.5
73.02946	100.0
74.03294	3.0
99.00874	8.7
99.92590	1.8
116.92870	4.3
117.01949	11.7
117.92847	0.6
118.02230	0.7
123.36423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
54.89362	1.3
57.45366	1.1
69.41273	9.7
78.82967	1.4
78.98275	1.2
90.57662	1.2
93.03473	6.2
94.02982	8.4
98.20632	2.3
98.50388	1.3
101.36829	1.2
108.02177	3.0
121.02956	100.0
122.02469	5.1
122.03311	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	124.0159
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75354	9.9
62.98110	9.7
66.33506	9.7
69.03466	14.2
69.74653	43.4
69.75079	20.9
71.11390	9.7
76.39481	9.9
95.01393	16.8
97.02940	14.8
112.62732	10.0
121.61771	11.0
123.00901	22.2
124.01662	78.8
125.02473	100.0
132.43463	10.7
137.23233	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	1123.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	58.7
79.95750	0.4
80.96526	0.9
94.13675	0.3
96.96969	3.5
97.02956	0.4
102.81464	0.4
125.02412	0.6
129.08794	0.4
132.50238	0.4
150.98016	0.9
152.99582	62.3
153.99956	0.4
169.01462	0.4
171.00636	17.8
227.03314	3.2
245.04295	78.5
246.04645	1.3
253.21712	39.9
254.21994	2.3
265.67624	0.4
300.99954	0.7
462.91022	0.4
481.25696	100.0
482.25983	6.5
709.38367	1.0
732.91986	0.4
795.23126	1.5
895.44916	0.7
943.91644	0.4
1123.49023	21.4
1124.48621	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	1129.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02670	0.4
81.03460	0.9
83.01389	4.1
83.05031	3.1
84.02184	0.4
85.02954	2.6
87.00887	0.8
89.02451	5.8
89.03011	0.3
93.03463	0.2
95.01385	1.2
95.05027	0.6
97.02944	0.5
97.06619	0.2
98.86179	0.1
99.00879	0.3
99.04539	0.2
101.02446	13.0
109.06551	0.3
111.00932	0.2
113.02453	6.5
114.02810	0.2
117.01977	0.2
119.03502	2.9
123.08199	0.2
125.02460	1.0
125.06107	0.5
130.23215	0.2
131.03523	1.4
135.08154	0.7
143.03540	1.6
143.04593	0.3
147.11855	0.2
149.04556	2.7
155.03462	0.4
161.03259	0.3
161.04558	5.2
162.04939	0.2
163.11293	3.1
165.12848	1.6
169.01411	0.6
171.10252	0.9
179.05594	1.2
181.12344	0.4
191.10786	0.8
203.05676	0.8
209.11826	100.0
210.12151	4.1
211.13353	0.2
221.06660	1.5
223.13496	0.1
227.12881	13.5
228.13229	0.6
235.08206	2.0
247.13499	0.7
253.09280	5.5
254.09721	0.2
263.56332	0.1
275.43808	0.2
369.19232	2.9
370.19321	0.2
385.97260	0.2
401.23224	0.3
411.20233	6.5
412.20804	0.5
419.24789	0.2
445.20810	2.9
446.21176	0.3
463.21967	0.5
504.30176	0.2
515.07593	0.2
611.30945	0.2
637.32178	1.3
641.08557	0.1
655.33093	0.4
673.34399	0.4
970.39081	0.2
1160.14795	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0038
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
55.12247	2.4
58.51765	2.5
59.01383	14.7
63.06014	2.7
71.01382	100.0
71.05025	2.9
71.12846	4.3
74.02489	3.1
87.00874	11.2
98.29876	3.3
102.43323	2.9
108.16588	2.7
115.00351	11.8
116.07186	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	111.009
Annotation	3-FUROIC ACID
Peak:m/z	Relative Intensity
51.06788	0.7
53.06011	0.6
53.44645	0.7
55.01883	14.4
56.97143	0.6
57.91318	0.6
60.91017	0.7
67.01896	12.1
68.03159	0.6
68.99811	0.7
71.01395	3.3
71.49615	0.8
78.95911	100.0
81.03485	1.1
83.01394	38.6
83.05022	2.7
84.01732	0.7
84.04532	0.8
93.03474	1.3
99.98434	0.7
103.43547	0.7
110.97585	1.2
110.98531	1.7
111.00891	20.6
111.04517	2.7
112.01272	1.1
113.52015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1111.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
80.23738	1.1
81.03439	1.3
83.01393	1.2
84.44827	1.1
92.99843	6.0
93.03455	1.3
95.01385	42.0
97.02951	1.3
99.00861	1.8
107.01398	8.5
109.02916	2.3
111.00883	1.4
113.02410	1.8
117.03436	2.7
119.04983	1.9
121.02979	1.7
123.00890	10.0
124.01667	1.4
125.02445	49.0
126.02834	1.1
131.05130	2.0
132.02209	1.0
133.02960	1.6
135.04462	1.9
137.02440	3.4
139.00357	4.5
139.03983	1.4
140.01143	2.1
145.02989	6.6
147.04492	3.2
149.02426	1.4
151.00357	3.1
157.02972	3.0
159.04478	2.5
160.01628	1.5
161.02409	5.7
163.00366	14.4
163.03969	2.7
164.01057	1.1
164.98276	31.1
165.01912	4.4
166.99857	5.2
168.00595	5.0
169.01413	65.4
170.01717	2.8
171.00876	1.8
173.02411	10.4
174.03027	1.2
175.04044	3.5
177.01956	4.1
179.03537	1.5
185.02415	7.8
187.00380	1.8
187.04015	2.9
189.01918	9.6
190.02568	1.4
190.99818	4.6
191.03516	5.2
193.01379	4.4
199.00352	2.2
199.03966	1.8
200.01172	1.3
201.01903	10.7
201.03598	1.6
202.02492	1.8
203.03506	7.1
205.01395	2.6
205.04918	1.2
206.99318	1.6
207.02873	1.4
209.00920	5.4
211.02290	2.2
211.04089	1.5
213.01917	5.0
214.99681	1.3
215.03458	2.8
216.00575	3.0
217.01378	11.3
218.02193	1.9
219.02890	2.0
226.99829	2.1
227.03473	2.3
228.00594	2.0
229.01398	20.5
229.11514	1.3
230.02060	1.8
231.02914	7.0
233.00865	1.3
233.04550	1.9
239.03387	1.6
241.01360	2.8
242.02167	1.3
242.99310	2.8
243.02966	3.7
244.00078	2.7
245.00893	23.8
246.01501	1.9
247.02454	6.8
249.03874	2.0
253.04985	1.3
254.99405	3.0
255.02946	2.7
257.00906	19.2
258.01611	5.2
259.02438	5.7
267.03012	2.7
269.00885	4.2
270.01831	1.3
270.98849	6.7
271.02109	2.7
271.99432	1.7
273.00403	34.3
274.01123	7.5
275.01959	61.2
276.02188	2.5
277.03677	1.5
283.02347	1.7
283.99545	4.4
285.00412	10.6
287.01974	7.8
288.99823	1.8
291.01437	1.9
295.04602	3.3
297.00381	1.7
298.98239	6.4
299.01797	3.1
299.99146	13.9
300.02478	2.0
300.99896	100.0
301.03085	3.5
302.00186	5.1
310.98282	4.1
312.99933	10.1
313.05740	5.7
314.00378	2.3
315.01440	4.0
316.99362	7.0
317.02454	1.4
319.00766	2.5
327.01547	2.8
331.00934	5.0
338.97668	1.4
339.05542	1.5
343.00992	4.6
401.05081	1.7
465.00836	1.2
465.06665	8.4
569.05530	1.6
570.07855	1.3
581.05542	1.2
597.05212	2.0
615.08087	1.6
616.97638	2.6
617.07764	50.1
618.08020	4.2
635.08813	2.5
658.02209	1.1
749.05884	3.8
765.05371	1.6
767.07086	18.0
768.07538	2.8
777.06390	1.5
805.05640	3.7
809.08527	7.4
823.06732	2.9
827.09375	2.7
891.09375	1.8
893.10876	3.3
913.07318	1.5
917.06995	10.8
918.07684	1.6
935.07947	24.8
936.08612	3.7
937.09558	37.9
938.10028	4.4
947.07739	5.4
949.08972	3.9
956.60187	1.3
963.10199	1.4
975.07495	48.2
976.08026	6.3
993.06946	2.1
1007.11072	1.6
1051.08838	14.3
1052.09741	2.0
1111.10938	9.6
1112.34741	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	1109.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
81.53082	0.2
81.97164	0.3
83.01375	0.3
91.33734	0.3
92.99825	1.3
93.03427	0.3
95.01388	7.7
107.01414	0.3
109.02947	0.7
117.03491	0.8
119.05019	0.3
121.02956	0.4
123.00880	1.4
125.02425	3.1
129.03468	0.5
131.04984	0.4
132.02208	0.3
133.02974	0.9
135.00899	0.3
135.04578	0.4
137.02454	1.0
139.00403	0.4
145.02957	2.4
147.04489	1.3
149.02411	0.3
151.00348	0.3
157.02930	1.1
159.04498	0.9
160.01624	0.3
161.02469	1.4
163.00397	2.7
163.04004	1.1
164.98303	5.7
165.01906	1.2
166.99796	0.4
169.01418	3.0
171.00882	0.3
172.01724	0.3
173.02417	3.8
175.03995	1.7
177.01904	1.2
178.99837	0.5
184.01720	0.3
185.02420	3.5
187.00375	0.4
187.03883	0.5
189.01942	2.0
190.02715	1.0
190.99883	0.8
191.03474	1.6
193.01466	0.7
199.00398	0.5
200.01103	0.5
201.01936	4.4
202.02469	0.5
203.03494	3.1
205.01381	0.7
208.00220	0.3
209.00929	1.5
212.12885	0.3
213.01903	1.7
214.02650	0.3
216.00627	0.8
217.01428	2.9
218.02182	0.4
219.02898	1.3
226.99814	1.2
228.00574	0.8
229.01421	7.8
230.02077	0.6
231.02963	2.9
233.00914	0.3
233.98064	0.9
240.00488	0.4
241.01372	0.6
242.02068	0.4
242.99329	1.3
243.03009	0.7
244.00029	1.0
245.00891	6.5
246.01425	0.7
247.02451	2.2
248.02980	0.4
249.04019	2.5
254.88632	0.3
254.99390	0.8
255.03033	0.4
257.00891	8.2
258.01584	2.0
259.02393	0.6
261.00284	0.5
263.01904	0.4
269.00903	0.9
270.98810	2.2
271.01517	0.3
271.99390	0.4
273.00418	6.2
274.01147	1.6
275.01959	14.0
276.02414	0.7
282.98651	0.3
283.99634	3.9
285.00403	3.0
286.00928	0.5
287.01917	0.8
291.01312	0.4
298.98367	2.7
299.01587	0.5
299.99112	7.9
300.99884	100.0
302.00180	4.5
310.98431	1.4
312.99881	1.5
314.00650	0.4
315.01401	1.3
316.99161	0.7
319.01071	0.6
325.03238	0.5
326.97894	0.3
328.99512	0.4
331.00854	0.3
343.00909	1.3
417.04480	0.3
445.04193	0.6
461.03223	0.4
463.05249	2.8
473.03381	0.5
475.05063	0.5
501.03165	1.4
504.69955	0.3
577.47180	0.3
613.04700	0.5
631.05823	0.5
633.07300	0.9
671.04901	1.9
765.06110	1.3
775.05298	0.4
803.03717	0.5
825.07611	0.8
858.80878	0.3
915.05695	0.5
919.08521	0.3
933.06244	5.0
934.06512	1.0
935.07996	16.1
935.90033	0.4
936.07574	2.2
945.06183	1.1
947.08545	1.0
953.44812	0.3
973.05817	12.2
974.05701	1.8
978.43378	0.3
1049.07495	7.9
1050.08057	1.0
1095.87903	0.3
1109.09448	4.7
1110.09827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1109.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
77.26976	0.2
79.01878	0.2
92.99818	1.5
95.01390	8.4
97.64877	0.3
98.19875	0.7
107.01370	0.6
107.78403	0.3
109.02926	0.5
117.03465	0.8
121.02896	0.5
123.00871	1.1
125.02480	2.3
129.03458	0.5
132.02150	0.4
133.02953	1.0
133.31044	0.3
137.02489	1.2
139.00354	0.4
143.05064	0.3
145.02930	2.6
147.00885	0.4
147.04521	1.0
149.02434	0.4
151.00352	0.3
157.02977	1.7
159.04501	0.6
161.02429	1.4
163.00398	2.8
163.04047	1.5
164.01118	0.3
164.96924	0.4
164.98289	6.5
165.01947	1.5
166.99864	0.3
169.01431	2.4
169.02737	0.5
171.00964	0.3
172.01604	0.4
173.02443	3.4
174.03163	0.6
175.03992	1.5
176.01152	0.3
177.01904	0.6
178.99913	0.6
179.03275	0.3
185.02446	3.8
187.00374	0.4
187.04018	0.6
189.01941	1.9
190.02736	0.7
190.99847	1.1
191.03470	1.6
193.01443	0.5
194.99356	0.3
199.00317	0.5
200.01169	0.7
201.00116	0.4
201.01924	4.8
202.02614	0.4
203.03522	3.0
205.01482	0.5
209.00903	1.8
213.01978	1.8
214.02692	0.3
214.99918	0.5
215.03362	0.3
216.00618	0.8
217.01410	2.7
218.02138	0.6
219.02908	1.3
226.99907	0.9
227.03391	0.4
228.00613	0.8
228.99156	0.5
229.01419	8.5
230.02112	0.5
231.02962	2.5
233.00974	0.3
233.97997	0.8
234.98755	0.6
238.99860	0.3
241.01353	0.9
242.99342	1.1
243.02972	0.7
244.00140	0.9
245.00874	6.6
246.01376	0.5
247.02492	2.5
248.03018	0.6
249.03960	2.4
253.05168	0.3
254.99397	0.9
255.03119	0.4
257.00909	7.2
258.01532	1.7
259.02365	0.7
261.00339	0.4
269.00885	0.8
269.04312	0.2
270.98843	2.8
271.02618	0.5
271.99695	0.6
273.00412	6.4
274.01205	1.9
275.01968	14.2
276.02310	0.6
283.02161	0.3
283.99649	3.9
285.00458	3.3
285.03659	0.5
287.01978	0.6
288.02942	0.3
291.01404	0.3
298.98248	2.0
299.01855	0.6
299.95914	0.5
299.99130	7.3
300.99893	100.0
302.00250	5.1
303.01086	0.3
310.98355	1.4
312.99860	1.6
314.00705	0.5
315.01538	0.8
316.99387	0.5
319.01022	0.3
326.97726	0.4
329.87531	0.3
338.97760	0.4
343.01038	1.2
345.06668	0.3
356.98795	0.4
445.04114	0.6
461.03571	0.4
463.05103	3.1
475.05408	0.4
501.03061	1.3
613.04858	0.5
615.06335	0.3
631.06055	0.5
633.07184	0.7
671.05396	2.2
689.05457	0.3
765.05804	1.4
775.05231	0.3
803.03619	0.7
825.08337	0.5
828.85791	0.3
933.06415	4.8
934.06580	0.7
935.07947	15.9
936.07800	2.7
945.05890	0.8
947.07788	0.5
973.05908	11.2
974.06329	1.7
991.07520	0.5
1049.07642	8.2
1050.07776	1.2
1071.92041	0.3
1109.09644	5.2
1110.09949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
83.79713	0.2
84.07777	0.2
89.03997	0.3
93.03462	0.5
93.19205	0.2
95.01389	1.4
101.03974	0.4
105.03485	0.2
107.01408	0.3
111.00839	0.2
117.03474	1.6
119.05009	0.6
120.45451	0.2
120.94714	0.2
121.02955	0.4
123.00869	2.0
125.02460	2.9
129.03419	0.4
131.01367	0.2
133.02951	1.6
135.04503	0.6
137.02451	0.3
143.01372	0.3
145.02945	4.7
146.03720	0.2
147.00902	0.5
147.04565	1.6
149.02420	0.5
157.02921	1.1
158.03737	0.3
159.00826	0.6
159.04488	0.9
160.01613	0.3
161.02440	3.4
162.03064	0.3
163.00340	0.9
163.04008	2.1
165.01924	0.3
166.99858	0.9
169.01460	2.6
169.02873	0.4
171.00876	0.9
172.01727	0.4
173.02409	4.9
174.03143	0.4
175.00359	0.4
175.03996	1.5
177.01945	1.0
178.02515	0.2
179.03506	0.4
185.02440	3.4
187.00322	1.3
188.01122	0.4
189.01932	5.1
190.02682	1.3
190.99812	0.5
191.03511	2.6
191.05299	0.3
199.00385	0.7
199.03993	0.3
200.01146	1.0
201.01944	5.2
202.02373	0.4
203.03517	2.3
205.01375	0.7
213.01952	0.8
214.99887	2.2
215.03452	0.2
216.00638	1.1
217.01411	7.0
218.02165	0.6
219.02925	1.6
226.99879	1.4
227.03464	0.3
228.00621	0.7
229.01398	8.0
230.02098	0.7
231.02910	2.2
233.00829	0.6
235.02454	0.5
239.03455	0.3
242.99304	3.9
243.03018	0.6
244.00011	1.3
245.00888	11.8
246.01390	1.1
247.02463	4.7
248.02914	0.5
249.03993	2.4
254.99211	0.5
255.03049	0.3
257.00912	5.0
258.01596	1.3
259.99597	0.3
261.00391	1.9
263.01822	0.3
267.03046	0.3
269.04303	0.2
270.98837	13.1
271.99478	1.2
273.00400	15.1
274.01031	1.7
275.01962	10.2
275.04971	0.3
276.02267	0.5
283.45813	0.2
283.99643	3.0
285.00171	0.5
288.99835	0.3
290.00485	0.3
291.01367	1.3
298.00986	0.3
298.98325	13.0
299.99100	8.2
300.02570	0.5
300.99875	100.0
302.00217	4.8
312.99899	0.3
314.00735	0.4
315.01382	0.9
316.99350	1.2
320.01581	0.2
327.01498	0.3
340.99515	0.3
343.01013	1.1
401.05386	0.3
405.05167	0.3
417.04861	0.3
433.03992	0.5
443.02518	0.5
445.04105	1.7
461.03632	1.8
463.04929	2.3
556.48480	0.3
569.06171	0.3
613.04529	1.8
615.06128	0.3
631.05750	0.8
726.16809	0.2
755.19476	0.3
763.03650	0.3
765.05768	1.1
897.02844	0.3
907.08301	0.7
915.05725	1.2
916.06500	0.3
933.06354	54.3
934.06714	7.8
951.07367	27.4
952.07336	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	1097.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05143	0.2
95.01394	0.6
107.01379	0.4
109.02958	0.2
117.03488	0.4
119.05082	0.2
123.00876	1.5
125.02442	2.2
131.05045	0.3
133.02956	0.4
145.02988	1.6
147.04504	0.9
149.02448	0.4
151.00328	0.3
157.02943	0.8
158.03664	0.2
158.59335	0.2
159.04506	0.8
161.02411	1.0
163.03999	0.9
165.01888	0.3
166.99925	0.3
169.01434	1.8
173.02397	2.1
173.09120	0.2
174.03070	0.3
175.03984	1.3
177.01888	0.8
185.02425	2.6
187.04062	0.6
189.01936	1.6
190.02728	0.8
191.03455	1.0
193.01404	0.3
200.01144	0.4
201.01930	3.1
203.03505	2.0
204.04007	0.2
205.01492	0.3
211.02472	0.3
213.01939	0.4
216.00597	0.2
217.01396	2.2
218.02133	0.3
219.02948	0.8
221.04454	0.3
226.99933	0.5
228.00568	0.5
229.01393	6.2
230.01988	0.6
231.02963	1.5
235.02490	0.2
242.02205	0.3
243.02975	0.4
244.00121	0.5
245.00906	4.8
246.01617	0.5
247.02444	1.5
248.03090	0.4
249.04005	1.7
252.88860	0.2
254.99402	0.2
257.00900	4.7
257.03708	0.3
257.04694	0.2
258.01691	1.5
259.02435	0.7
271.02530	0.2
271.99716	0.3
273.00430	6.2
273.03766	0.4
274.01181	2.6
275.01962	13.0
276.02237	0.7
283.99622	2.5
285.04132	0.5
286.00946	0.3
287.01895	1.0
290.00720	0.4
291.01385	0.5
299.99106	5.9
300.99881	86.9
302.00223	5.0
302.03653	0.3
313.05862	0.3
314.00562	0.5
315.01483	0.3
329.03027	1.0
329.06415	0.2
331.04794	0.3
401.05338	0.3
419.06033	0.6
463.05157	6.7
464.05508	0.5
633.07306	100.0
634.07642	11.2
770.07819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01399	0.4
85.02953	0.7
87.00900	0.2
90.16794	0.2
93.03470	0.3
98.20023	0.2
106.98718	0.2
107.00762	0.2
107.01389	1.1
108.02155	0.9
109.02957	0.3
121.02988	0.4
124.01640	0.3
125.02447	0.3
135.00890	0.5
148.01640	0.8
150.99182	0.3
151.00369	4.5
163.00380	0.7
164.01134	0.3
169.01460	0.4
178.99852	2.7
187.03996	0.2
191.05614	6.8
191.07399	0.3
192.00687	0.2
198.03168	0.2
199.03998	0.6
201.01958	0.3
203.03452	0.2
211.04001	0.4
213.01907	0.2
215.03476	0.6
216.04285	0.6
223.05237	0.2
223.97488	0.1
226.02689	1.1
227.03516	2.0
228.04071	0.2
229.05095	0.2
243.02959	8.2
244.03505	0.5
254.02176	1.9
255.02972	21.3
256.03381	0.9
271.02463	48.8
272.02939	3.4
273.04034	0.4
283.02350	0.2
299.01981	2.0
300.02737	82.7
301.03339	9.3
302.03955	0.3
337.09201	1.1
341.34027	0.2
343.04288	0.3
403.06940	0.2
489.10004	0.2
591.14337	0.2
643.01825	0.2
682.81134	0.2
755.20349	100.0
756.20691	10.7
1051.09656	0.2
1073.55164	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01893	1.8
81.03455	0.9
83.01382	0.6
85.02965	0.6
87.18024	0.4
95.01392	9.2
97.02957	2.2
107.01389	5.2
108.02209	0.4
109.02952	0.5
110.00069	0.4
111.00911	2.3
111.43530	0.3
113.02488	0.4
119.05016	0.6
121.02979	0.9
123.00891	21.4
123.04474	0.5
124.01724	2.6
125.02453	63.9
126.02810	1.4
127.00409	0.7
131.05037	0.7
133.03021	0.4
133.06538	0.4
135.04517	0.5
136.98831	1.4
137.02477	1.1
139.00369	4.7
139.03949	0.4
140.01149	3.1
141.01976	0.9
143.03545	0.4
143.05017	0.8
145.02957	1.3
145.06583	0.5
147.04538	1.0
149.02467	0.9
151.00420	2.2
153.01967	1.1
158.03731	0.4
159.04494	1.4
161.02460	2.0
161.06081	0.6
163.00351	0.5
163.04016	1.2
165.01939	0.7
166.99864	11.4
167.03557	0.5
168.00658	8.8
169.01427	81.9
170.01697	2.2
171.04533	0.7
173.02475	0.8
174.03294	0.5
175.04001	1.0
177.01880	1.8
177.05602	0.6
178.90097	0.4
179.03458	1.2
181.01395	1.1
187.04068	1.9
189.01952	0.9
189.05553	2.1
190.02667	0.8
191.03531	2.3
193.01424	2.9
193.04913	0.5
199.03969	0.9
203.03488	1.3
205.01450	3.5
205.04984	1.6
206.02191	0.4
207.02977	1.3
211.02464	3.8
214.02730	0.6
215.03453	1.8
216.04230	0.5
217.05063	2.3
218.02046	0.5
219.02975	0.8
221.00940	1.6
221.04541	0.6
223.02492	0.7
231.02980	1.3
233.04610	3.8
235.02489	2.0
249.03979	1.0
256.34311	0.4
259.02438	1.3
261.04047	2.4
263.05606	1.1
268.45615	0.4
271.04739	0.6
275.02020	0.6
277.03543	3.2
279.05066	2.6
295.04507	4.8
297.06213	0.8
300.99918	1.1
301.03278	0.5
302.00098	0.6
313.05646	4.9
337.17227	0.4
431.06183	2.5
447.05649	2.7
449.07114	1.1
465.06812	6.6
466.06995	0.5
599.07129	1.8
601.08154	0.9
602.08612	0.5
617.07892	4.6
635.08386	0.7
769.08911	47.9
770.09424	6.0
785.96948	0.4
787.09961	9.2
788.10999	1.2
882.40588	0.4
939.11108	100.0
940.11414	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	1091.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01875	1.9
81.03445	0.6
85.02962	0.4
87.57137	0.4
87.79195	0.4
90.40428	0.3
90.42551	0.3
95.01385	8.4
97.02952	2.1
98.19913	1.1
107.01390	6.1
109.02941	0.5
111.00851	1.6
113.02466	0.5
117.03493	0.5
123.00892	22.4
124.01672	1.8
125.02449	63.3
126.02769	1.0
127.00439	0.8
130.65886	0.4
131.04980	0.5
135.04509	0.6
136.98807	1.2
137.02446	0.7
138.21025	0.4
139.00371	4.3
140.01175	3.6
141.01936	1.3
143.03503	0.6
143.05045	0.9
145.02959	1.3
149.02434	0.6
151.00351	1.8
151.03987	0.6
153.01939	1.1
153.62593	0.4
159.04497	1.1
161.02483	2.2
161.06068	1.0
163.04031	0.9
165.01912	0.8
166.99854	10.5
167.03484	0.8
168.00645	8.0
169.01424	79.6
170.01785	1.9
171.04507	1.1
173.02399	0.8
174.03169	0.5
175.04024	1.2
177.01956	2.1
177.05554	0.6
178.99817	0.5
179.03468	1.6
181.01416	0.7
187.04053	1.8
189.01950	0.7
189.05574	2.0
190.02663	0.8
191.03503	1.7
193.01396	2.4
199.04030	1.0
203.03455	1.7
205.01401	2.5
205.05035	1.7
207.02921	1.2
208.89806	0.4
209.04358	0.4
211.02467	4.0
215.03462	2.0
217.01579	0.5
217.05060	2.2
221.00893	1.1
221.04547	0.9
223.02536	0.8
229.05231	0.5
231.02942	0.9
233.04559	3.0
235.02473	1.6
241.03391	0.5
243.03079	0.5
249.03995	1.1
251.05620	0.8
253.03461	0.6
259.02414	1.4
261.04031	2.5
263.05597	0.6
275.01855	0.5
277.03555	3.0
279.05130	2.5
281.16791	0.4
285.04044	1.3
295.04593	4.6
297.06168	1.0
301.00003	0.5
313.05627	5.6
431.06067	2.5
447.05597	2.4
449.07153	1.4
465.06708	7.7
509.76553	0.4
599.07062	1.2
601.07996	0.8
617.07727	6.3
635.08765	1.2
769.08905	42.6
769.96124	0.7
770.09167	5.3
787.09979	24.7
788.09918	2.8
872.85260	0.5
939.11084	100.0
940.11456	16.0
1049.30396	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.1221
Annotation	2-O-digalloyl-1,3,4,6-tetra-O-beta-D-galloylglucose
Peak:m/z	Relative Intensity
79.01883	1.7
80.51229	0.3
81.03475	0.6
83.01382	0.9
85.02943	0.4
95.01395	8.9
97.02949	1.7
97.22328	0.4
99.17561	0.3
107.01399	4.6
109.02988	0.7
111.00886	2.5
113.02433	0.5
117.03490	0.4
119.05064	0.5
123.00890	21.5
123.04408	0.3
124.01738	2.2
125.02457	61.5
126.02810	1.0
127.00388	1.0
131.05032	0.7
135.04514	0.4
136.98845	0.8
137.02457	0.6
139.00388	5.0
140.01164	3.3
141.01932	1.4
143.03595	0.4
143.05032	0.9
145.02969	1.3
145.06639	0.4
147.04530	0.8
149.02460	1.0
151.00369	2.2
153.01920	0.9
159.04575	1.6
161.02460	2.3
161.06104	0.7
163.04021	0.6
164.01199	0.6
165.01944	0.7
166.99866	11.1
168.00655	8.5
169.01433	75.2
170.01788	1.3
171.04514	0.8
173.02489	0.9
174.03172	0.7
175.04007	0.9
177.01939	2.0
177.05591	0.6
179.03522	1.1
181.01506	0.6
187.03973	2.0
188.04836	0.5
189.01973	0.6
189.05569	1.8
190.02715	0.9
191.03473	1.6
193.01416	3.1
193.05060	0.4
199.04024	0.5
203.03540	1.6
205.01428	2.7
205.05072	1.8
207.03027	1.5
211.02496	3.6
215.03513	1.9
217.01378	0.4
217.05017	2.1
218.02209	0.6
219.03033	0.8
221.00932	1.2
221.04613	0.7
223.02412	0.7
231.03018	1.1
233.04489	2.7
235.02408	1.8
249.04015	0.7
251.05649	0.7
259.02481	1.3
261.04044	2.4
263.05600	0.7
271.04840	0.4
277.03537	3.5
279.05099	3.2
284.70679	0.3
295.04550	4.9
297.06277	0.5
300.99911	0.6
305.53775	0.4
313.05646	4.4
313.08987	0.5
403.06863	0.4
429.04398	0.5
431.06097	2.4
447.05707	2.4
449.07181	1.2
465.06754	6.1
466.06888	0.5
541.22638	0.3
543.24426	0.9
593.14777	0.5
599.06824	1.4
601.08618	1.4
617.07928	5.0
618.08667	0.6
619.49384	0.4
635.08856	0.8
725.09375	0.5
769.08978	50.0
770.09442	4.9
787.10199	6.9
788.10083	1.0
939.11133	100.0
940.11438	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	1091.1212
Annotation	2-O-digalloyl-1,3,4,6-tetra-O-beta-D-galloylglucose
Peak:m/z	Relative Intensity
77.14746	0.4
79.01885	1.3
81.03445	0.5
83.01408	1.0
87.69511	0.4
93.03460	0.4
95.01384	9.1
96.35253	0.4
97.02946	2.2
101.02473	0.6
107.01394	6.2
109.02906	0.9
111.00874	2.1
112.15559	0.6
113.02498	0.7
115.05450	0.4
119.05029	0.5
121.02953	0.6
123.00893	24.4
124.01711	3.6
125.02449	65.3
126.02798	1.6
127.00388	0.7
127.03949	0.4
131.05005	0.6
133.02908	0.4
135.04550	0.8
136.98813	1.4
137.02483	0.8
139.00365	5.9
140.01167	2.7
141.01932	1.1
143.04990	0.9
145.02937	1.2
147.04482	0.5
149.02399	1.1
151.00378	1.6
151.04008	0.7
153.01968	0.7
159.04485	1.3
161.02426	2.7
161.06105	0.9
161.39545	0.4
163.04016	1.2
165.01854	0.6
166.99850	11.9
167.03522	0.4
168.00659	7.7
169.01421	80.4
170.01820	2.1
171.04506	0.6
173.02454	0.6
173.06085	0.4
174.03217	0.8
175.04022	1.0
177.01924	1.9
177.05513	0.5
179.03461	0.9
181.01521	0.7
187.04001	1.9
189.05586	1.8
190.02748	1.2
191.03482	1.4
193.01389	2.8
193.05119	0.4
199.04018	1.2
203.03592	1.3
205.01396	3.4
205.05057	2.1
206.02032	0.6
207.03000	1.7
211.02473	3.7
215.03511	2.1
217.01437	0.7
217.05009	2.3
219.02951	0.7
221.00975	0.8
221.04623	0.9
223.02388	0.8
231.03027	1.4
233.04562	3.4
235.02533	1.6
236.15845	0.4
241.03601	0.5
243.02963	0.8
249.04100	1.0
251.05528	0.6
259.02469	1.6
261.04068	3.0
263.05637	0.5
277.03470	3.8
279.05096	2.9
295.04547	6.0
297.06210	0.5
313.05634	4.4
403.06512	0.6
429.04565	0.7
431.06076	2.6
447.05869	3.1
449.07178	1.2
465.06717	6.4
599.06671	1.2
601.08362	1.9
617.07977	4.8
769.08954	48.8
770.09320	6.2
787.09692	6.4
788.10071	1.5
939.11108	100.0
940.11444	16.0
1093.81934	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.117
Annotation	Unknow
Peak:m/z	Relative Intensity
83.21137	0.2
89.03993	0.3
95.01394	0.8
98.35810	0.2
101.03986	0.2
102.58331	0.3
107.01397	0.4
109.02974	0.5
111.00837	0.2
117.03466	0.9
119.05026	0.3
121.03033	0.4
123.00871	1.2
125.02466	3.1
129.03462	0.7
131.05005	0.4
133.02951	0.8
135.00899	0.3
137.02432	1.0
137.98250	0.2
139.00453	0.4
143.05023	0.3
145.02946	2.2
147.04559	1.5
148.01553	0.2
149.02388	0.3
151.00447	0.2
153.01898	0.3
157.02969	1.1
158.03816	0.2
159.04543	1.2
161.02432	1.0
163.00388	1.3
163.04033	1.4
165.01915	0.9
169.01428	3.4
171.00832	0.3
172.01712	0.3
173.02461	2.7
174.03185	0.3
175.03989	2.0
177.01930	1.2
184.01605	0.2
185.02432	3.5
187.03963	0.6
189.01938	2.0
190.02684	0.8
190.99838	1.1
191.03488	1.5
193.01454	1.7
199.03989	0.3
200.01175	0.4
201.01964	4.3
202.02567	0.3
203.03534	2.7
205.01332	0.6
209.00891	1.0
212.00883	0.3
213.01920	0.9
215.03563	0.4
216.00620	0.6
217.01414	1.8
218.02122	0.6
218.99283	0.3
219.02950	1.0
221.01038	0.4
221.04587	0.3
226.99834	0.5
227.03558	0.7
228.00795	0.3
229.01408	8.4
230.02017	0.4
231.02986	3.0
233.01009	0.4
237.00421	1.2
241.01384	0.3
243.02991	0.8
244.00212	0.6
245.00899	5.2
246.01541	0.6
247.02422	2.5
248.03114	0.5
249.04047	2.3
256.00018	0.3
257.00925	6.9
258.01633	1.9
259.02341	0.5
261.00439	1.0
267.03070	0.4
269.04434	0.3
270.98737	0.4
271.02438	0.5
273.00452	4.4
274.01221	2.5
275.01993	16.9
276.02216	0.7
283.02362	0.3
283.99692	2.8
285.00443	0.7
287.01978	0.8
289.03537	0.3
291.01401	0.4
298.98553	0.6
299.02017	0.8
299.99136	7.9
300.02512	0.6
300.99908	100.0
302.00250	4.3
303.01398	0.4
314.00839	0.4
315.01501	1.7
319.00943	0.7
327.01422	0.8
343.00940	1.7
345.02435	0.5
357.02618	0.4
371.00302	0.4
381.04678	0.7
387.03543	0.3
391.93436	0.3
405.04514	0.7
419.06375	0.3
421.13559	0.3
431.02823	0.3
445.04086	0.6
449.03558	0.5
463.05203	4.5
489.07614	0.3
551.06964	0.5
625.14478	0.3
633.07336	6.1
634.07471	0.7
683.05811	0.5
704.49573	0.3
765.05945	2.0
781.11438	0.3
825.07880	1.2
853.07410	2.9
854.07971	0.4
935.08051	24.8
936.08374	3.1
965.10266	0.5
1005.09265	0.4
1023.09534	1.0
1065.10974	0.4
1066.09656	0.3
1083.11658	7.4
1084.11450	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	1065.6357
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02678	0.6
81.03457	1.0
83.01393	0.7
83.05031	3.2
83.05497	0.4
83.80643	0.3
84.02171	0.5
85.02953	0.8
86.63342	0.3
87.00864	0.5
89.02447	1.1
91.04022	0.4
95.01354	0.4
95.05039	0.3
96.47099	0.3
96.96016	1.5
101.02441	2.9
109.06606	0.8
111.00881	0.4
111.08157	8.8
112.08507	0.5
113.02435	1.5
116.92868	1.4
119.03521	0.7
125.02441	1.5
127.07680	0.5
133.05095	0.3
135.08165	0.8
151.03918	0.3
151.11266	0.7
153.12796	0.7
161.04518	1.9
163.11292	2.9
165.11534	0.3
165.12798	1.7
169.01401	0.9
169.12346	5.0
171.10294	0.8
179.05627	0.7
179.10782	0.8
181.12303	1.3
183.13901	0.9
186.76630	0.3
191.10777	0.9
193.12323	0.5
197.11821	49.2
197.79356	0.3
198.12184	1.5
199.13371	2.9
209.11813	100.0
210.12216	2.6
211.13379	8.3
213.16318	0.3
223.13458	0.4
225.11319	0.5
227.12874	13.4
228.13258	0.4
235.08186	4.6
240.28752	0.4
247.20749	0.5
253.09262	18.4
254.09691	0.4
263.20154	3.3
265.18115	1.1
273.18524	0.7
291.19647	16.4
292.19922	0.4
293.21112	0.6
309.20688	65.8
310.21097	4.4
316.35080	0.3
322.58804	0.3
341.23288	0.5
433.20871	0.6
445.20706	3.8
463.21777	0.4
469.05005	0.8
469.55154	0.7
501.32248	1.2
519.33569	0.5
527.28522	1.1
545.29395	2.4
917.32050	0.4
1065.48816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1078.5445
Annotation	Unknow
Peak:m/z	Relative Intensity
74.85220	4.3
75.00877	24.8
85.02935	5.0
98.20710	8.6
101.02483	4.7
116.92812	5.0
121.43832	4.5
125.02492	5.2
129.01950	100.0
130.02275	8.1
135.03032	44.8
169.01407	6.7
226.07471	5.0
238.19736	4.8
284.15845	4.6
304.25906	4.6
397.13708	7.6
512.60199	4.6
514.03406	4.4
578.50372	4.5
581.76196	4.4
1078.50854	13.8
1079.52747	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	1078.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00872	25.5
83.01389	2.0
85.02952	5.2
87.00872	6.3
88.58189	1.8
89.02446	6.0
96.95981	2.2
97.02949	7.0
98.65903	1.9
101.02423	4.1
102.88820	1.6
105.24909	1.8
113.02464	1.8
115.00383	4.0
125.02415	3.8
128.03529	3.0
129.01945	100.0
130.02284	13.2
135.03000	49.8
136.03297	2.7
167.34720	1.7
169.01468	1.9
175.02498	4.5
197.11711	2.0
197.16290	2.0
209.11819	2.4
215.23192	1.9
219.22755	1.9
239.12830	4.8
247.04477	3.6
277.21817	2.9
322.57095	1.9
327.73178	2.0
397.13232	4.9
415.14706	2.3
631.89471	2.5
927.89447	2.1
942.49158	3.0
944.48755	2.4
1078.51306	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	108.0213
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
54.90726	1.9
65.03950	2.8
67.01898	2.5
67.67554	1.9
69.34972	13.8
81.03434	4.4
91.01880	2.8
92.08588	2.2
96.50900	1.8
108.02184	51.3
108.04565	14.2
109.02956	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	108.0214
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
66.03478	1.7
66.87901	1.2
67.03014	3.3
81.03470	4.4
91.01903	2.6
98.19899	4.2
107.03780	1.9
108.02179	79.5
108.04568	15.1
109.02958	100.0
111.25625	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	1060.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00873	59.4
113.02366	40.6
115.00353	52.0
124.15967	49.1
125.02431	100.0
169.01392	50.8
175.02493	90.8
197.11766	66.4
289.17957	51.9
290.18396	62.5
309.20627	75.0
310.20932	67.3
351.63907	37.7
416.14636	45.4
446.50943	44.6
538.77716	41.4
754.31879	49.9
846.44727	50.1
1061.50500	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.5318
Annotation	Unknow
Peak:m/z	Relative Intensity
79.67551	33.6
82.84084	37.1
90.34270	46.5
95.93796	33.8
98.29621	39.9
125.02438	63.9
159.84557	39.1
169.01390	69.0
183.02995	49.1
192.87311	35.3
204.09225	40.8
209.11931	78.0
249.35149	41.0
260.73883	44.1
309.20712	73.9
397.13770	51.5
451.52716	40.7
827.28302	52.7
971.88867	39.9
1061.51575	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	1062.5493
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00858	14.6
87.00867	42.3
96.95995	44.5
98.20678	31.9
101.02419	15.2
115.00358	50.6
116.92785	12.1
122.97144	11.1
123.00925	12.2
125.02418	28.4
128.03526	16.7
129.11482	12.8
169.01387	21.3
171.10222	12.1
175.02472	100.0
272.08896	38.8
277.21646	24.9
300.93686	12.0
304.06085	24.7
309.20596	24.6
338.04782	14.5
362.78259	12.0
379.41202	13.9
397.13129	24.3
598.99561	15.3
944.49298	59.1
984.48761	20.3
1062.51440	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	1062.5492
Annotation	Unknow
Peak:m/z	Relative Intensity
81.99991	15.4
85.09211	17.5
87.00899	31.2
89.02394	25.0
96.19241	17.6
96.95989	100.0
109.58594	20.2
110.83499	19.4
115.00372	53.1
116.92870	33.9
123.82185	20.4
125.02437	28.8
137.71025	17.4
149.07155	18.1
169.01379	47.7
175.02423	66.8
197.11736	23.1
277.21860	20.8
278.22281	19.0
309.20383	23.2
310.21103	34.1
397.13321	29.9
572.29639	19.7
619.29504	20.0
663.87610	19.9
786.36670	18.8
944.49341	31.7
984.50482	21.9
1062.49292	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01904	0.3
79.14201	0.2
83.01394	0.6
85.02969	0.5
91.32914	0.2
93.03484	0.3
95.01392	0.7
97.02937	0.3
98.20606	0.4
99.00912	0.2
101.02423	1.0
107.01382	3.8
109.03029	0.3
111.00909	0.5
113.02458	0.9
123.00899	4.4
124.01672	0.4
125.02446	26.0
126.02788	0.6
135.00917	0.3
136.98808	0.2
137.02449	0.5
139.00363	1.6
140.01157	0.7
141.01920	0.5
151.00368	5.6
153.01891	0.4
159.04539	0.3
163.00375	0.5
165.01923	0.2
167.03548	0.4
168.00679	1.6
169.01419	41.0
170.01732	0.8
178.99834	0.3
179.03397	0.2
185.06122	0.3
187.04016	0.2
189.05585	0.3
193.01514	0.3
211.02466	1.3
213.05702	0.4
218.77492	0.2
223.02505	0.4
227.03467	5.4
228.03821	0.3
229.05028	1.2
230.92564	0.2
239.03401	0.2
241.03494	3.0
241.05692	0.2
243.02927	0.2
253.03490	0.7
255.02968	9.9
256.03589	1.6
257.04510	0.9
271.02322	0.5
271.04926	0.3
283.02426	0.2
284.03253	17.5
285.04019	12.3
286.04407	0.6
300.02673	1.2
301.00116	0.2
301.03342	0.4
313.05649	12.3
314.05951	0.6
327.05118	0.6
447.09244	1.9
463.08960	0.5
593.15015	3.4
594.15466	0.5
599.10400	100.0
600.10773	10.5
769.08765	0.6
939.10980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02936	2.2
76.33926	1.8
81.03454	2.2
83.01382	4.7
85.02952	4.7
88.98763	2.7
89.02462	14.1
95.01389	3.4
97.02964	6.1
97.06622	2.8
101.02451	14.8
111.08190	9.0
113.02462	8.7
119.03515	3.2
123.08159	1.8
125.02463	9.4
125.09718	4.6
129.22757	1.9
131.03401	1.8
135.08055	2.5
137.09749	2.8
143.03503	2.3
161.04524	5.1
161.09554	2.5
163.11273	6.5
165.12802	2.9
169.01385	3.0
169.12328	3.3
171.10341	3.0
172.17093	1.8
179.05621	4.4
181.12309	2.5
183.03000	3.4
185.11913	4.4
191.14421	7.4
197.11818	44.8
199.13437	2.6
207.10240	3.7
209.11810	11.3
211.13371	10.5
227.12843	2.2
235.08371	4.5
237.11333	2.9
245.19135	13.1
245.21266	2.3
263.20078	6.9
289.18109	55.2
290.18436	4.3
291.19669	23.8
292.20050	3.2
300.57059	1.9
307.19141	58.2
308.19446	3.3
309.20691	100.0
310.21027	7.0
331.00940	2.0
379.12369	5.8
397.13531	48.6
398.13589	2.7
415.14594	23.2
512.89124	2.5
605.29803	1.9
687.32715	3.0
705.33752	4.0
707.34375	4.3
880.64758	2.0
997.54053	7.4
1001.00616	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	1059.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01871	1.8
81.03456	0.8
83.01390	0.8
85.02957	1.0
87.00872	0.5
93.03460	10.5
95.01394	9.2
95.02004	0.4
95.04996	0.4
97.02953	3.5
101.02454	0.6
107.01389	4.6
109.02960	0.6
111.00903	2.4
113.02444	0.8
115.78291	0.3
119.05047	0.6
121.02903	0.5
123.00891	23.3
123.04543	0.3
124.01731	2.0
125.02448	85.4
126.02782	1.9
127.00395	0.4
131.05016	1.1
131.56142	0.3
133.02898	0.4
136.01602	0.8
136.98796	1.2
137.02451	22.5
139.00369	5.4
140.01183	3.8
141.01944	1.6
143.05025	0.5
145.02972	1.1
147.04539	0.7
149.02428	0.6
149.06239	0.4
151.00346	2.1
153.01970	0.8
159.04547	1.5
161.02437	2.8
161.06111	0.5
163.04013	0.8
165.01950	0.9
166.99857	10.3
167.03477	0.5
168.00662	8.1
169.01425	100.0
170.01839	2.1
173.02467	0.8
174.03120	0.5
175.04005	1.3
177.01933	1.7
177.05672	0.7
179.03500	1.8
183.03049	0.6
187.03912	2.4
189.01947	0.8
189.05579	0.6
190.02725	0.9
191.03499	2.0
191.05534	0.4
193.01430	1.8
197.06059	0.4
201.11354	0.4
203.03558	1.7
205.01414	3.3
205.05052	1.6
207.02942	0.7
209.11839	1.0
211.02443	1.7
215.03461	1.9
217.05060	0.6
221.00829	1.4
221.04572	0.6
223.02472	0.5
231.02974	1.2
233.04585	2.4
235.02501	0.9
247.02621	0.4
251.05688	0.5
259.02377	1.4
275.01813	0.4
277.03464	1.8
279.05051	0.7
281.06622	0.6
284.03174	0.5
285.04062	1.4
295.04651	1.7
299.05606	0.5
300.99939	0.9
305.16248	0.4
311.05573	0.4
313.05667	1.9
323.41562	0.4
385.14859	0.5
397.05359	0.6
415.06506	1.9
417.08344	0.8
433.07663	5.7
447.05457	0.4
465.07150	0.9
537.16083	3.7
567.07678	1.2
569.09521	0.6
585.08862	5.6
586.09021	0.5
599.10736	2.7
603.10107	0.5
617.07452	1.1
737.09967	69.3
738.10150	8.1
755.10980	10.3
755.41418	0.4
756.11542	1.1
769.08868	3.5
770.10126	0.5
787.10205	0.6
907.12091	82.5
908.12396	11.6
939.10809	1.3
1016.61920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0193
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
58.00597	0.8
59.01380	28.7
59.98550	0.8
69.88596	2.9
72.67745	0.8
72.99309	93.2
73.99659	1.8
75.00872	27.7
75.15065	0.9
86.05447	0.7
93.30573	0.7
94.66966	0.8
98.19993	1.5
103.00375	1.0
104.15796	0.8
105.01936	100.0
106.02280	4.0
110.12078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
77.61467	0.2
83.01381	0.6
93.03465	0.4
98.19917	0.4
107.01398	2.1
108.02184	0.9
109.02945	0.7
121.02968	1.1
133.98895	0.2
134.37663	0.2
148.01672	0.8
149.02483	0.3
150.99187	0.4
151.00377	7.1
163.00461	1.2
164.01186	0.4
169.01456	0.3
178.99850	3.6
183.04460	0.3
187.03957	0.3
191.00038	0.2
192.00653	0.4
199.03958	0.4
201.01892	0.3
201.05666	0.3
203.03549	0.3
211.03915	0.8
215.03415	0.4
216.04225	0.4
226.02718	1.0
227.03506	3.2
228.04047	0.3
229.04906	0.5
239.03624	0.3
243.02988	6.3
244.03712	0.4
245.04512	1.0
254.02243	1.4
255.03000	19.2
256.03491	1.4
271.02484	34.6
272.02924	2.8
273.03934	0.7
283.02512	0.9
284.03290	3.9
285.03845	0.5
299.01956	0.9
300.02765	67.1
301.03506	33.8
302.03839	1.8
463.08835	100.0
464.09158	7.3
593.15161	5.1
594.16162	0.4
608.98694	0.3
615.10120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.784
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95906	15.2
82.87115	1.4
110.98542	9.3
143.79391	1.2
167.01151	4.6
255.23289	100.0
256.23526	6.7
279.23328	6.4
280.23587	4.9
281.24854	68.0
281.28006	3.0
282.25143	6.4
423.24701	1.8
449.27100	6.1
450.27097	5.4
451.26929	1.6
511.31555	1.5
557.22382	1.4
686.48224	4.5
687.49652	64.6
688.49847	7.9
1001.74622	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	1047.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
81.49377	0.7
82.96467	0.5
93.28448	0.6
96.56207	0.5
97.02968	0.8
103.48823	0.6
107.01389	4.8
111.40076	0.6
123.00901	3.2
125.02448	26.5
125.20309	0.7
133.03098	0.7
139.00366	0.9
140.01178	0.7
151.00377	4.1
155.77579	0.6
168.00645	0.8
169.01418	39.1
177.65875	0.6
178.99806	0.6
187.03963	0.8
211.02434	1.7
227.03503	7.3
229.05130	1.5
241.03522	2.3
255.02991	13.3
256.03452	1.2
257.04373	1.4
270.98746	1.2
284.03259	20.1
285.03979	15.7
298.98306	1.9
299.99045	6.6
300.99719	2.0
313.05661	10.9
315.01492	4.8
396.05688	0.7
447.05438	3.2
447.09698	2.7
469.81653	0.7
599.10425	100.0
600.10760	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	1033.5586
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50465	0.7
71.50922	0.7
72.99303	1.4
73.02950	2.8
75.00867	0.8
78.95908	0.9
81.03463	1.9
83.01394	3.0
83.05039	2.5
85.02966	7.4
87.00902	3.4
89.02451	13.7
95.01405	1.5
95.05033	2.0
96.96030	4.2
97.02967	3.4
97.06059	0.7
97.06580	4.2
98.95607	0.8
99.00880	1.0
99.92599	5.0
101.02448	13.1
107.05047	0.7
109.06597	0.8
111.04497	0.9
111.08174	1.4
113.02447	6.5
114.93465	0.6
116.92868	24.4
117.01914	1.1
117.92870	1.1
119.03509	5.1
121.06638	0.8
123.04530	1.1
123.08155	0.8
125.02455	7.1
125.09756	5.4
127.11290	1.0
131.03510	1.0
137.09723	2.2
141.01930	0.9
143.03499	2.6
145.05017	0.7
149.04507	0.9
155.10847	1.1
161.04591	2.2
163.11276	2.8
165.12836	2.9
167.14401	0.9
169.01489	1.4
171.10283	19.3
177.12885	1.3
179.05598	4.5
181.12373	1.5
183.02924	0.7
183.13905	2.8
185.11871	3.8
191.10767	0.8
191.14397	2.3
193.12286	1.8
197.11859	7.6
199.01068	0.8
201.11362	1.5
207.10303	2.6
209.11823	26.5
209.75685	0.8
210.12234	1.4
211.13399	14.0
221.06709	2.0
221.11829	2.4
223.16951	0.7
225.11353	0.9
225.39549	0.7
227.12918	6.2
229.14435	8.7
235.08223	4.0
239.12894	2.0
245.19098	3.7
247.20662	0.7
249.32657	0.8
253.09293	1.5
257.76791	0.7
263.20264	1.6
289.18103	19.1
290.18326	1.4
291.19638	9.3
306.48169	0.6
307.19165	19.2
308.19330	0.9
309.20718	17.9
325.20190	1.5
327.21768	100.0
328.22049	6.8
343.21350	1.0
351.87833	0.7
397.13464	19.6
398.13766	1.4
415.14539	14.3
556.57990	0.7
607.25928	2.2
705.33441	2.1
707.35138	1.4
1015.54388	1.5
1032.09363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1033.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
89.02441	18.6
96.96014	22.4
97.02979	6.3
97.06606	6.0
101.02440	24.5
112.98542	6.8
113.02444	17.9
116.92859	12.3
121.02933	7.1
123.00897	7.2
125.02443	15.6
125.09721	5.8
143.04680	6.4
145.91362	5.0
161.04579	8.1
165.12816	5.9
169.01437	18.9
179.05664	11.0
182.95528	5.3
197.11842	21.2
209.11838	18.3
211.13356	7.3
229.91179	7.6
245.19203	6.2
263.20206	8.3
265.14801	15.6
265.17682	6.0
287.16443	16.3
289.17966	41.5
291.19675	23.3
293.21191	45.9
297.15195	14.8
305.17532	27.8
306.07620	18.1
307.07779	6.7
307.19092	61.3
309.20660	100.0
328.53323	5.9
341.23431	9.0
397.13464	73.9
398.13947	6.4
415.14612	36.6
689.34363	7.5
705.33612	7.0
796.84143	5.8
997.53857	13.8
1033.51331	93.9
1034.51929	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5814
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49833	0.3
72.99313	1.0
73.02956	1.2
78.95927	1.3
79.95737	1.2
81.03475	0.5
83.01413	0.9
83.05029	1.0
84.02177	2.2
85.02947	3.2
87.00867	2.1
89.02447	8.6
95.01398	1.0
95.05025	0.6
96.96014	10.3
96.96976	1.5
97.02945	3.1
97.06589	5.5
99.00901	0.8
99.04549	0.6
101.02445	7.8
109.06565	0.6
111.00866	0.5
111.08159	5.5
113.02435	4.2
116.92880	1.4
119.03497	2.5
121.10256	0.3
121.33637	0.3
123.00892	0.4
125.02436	3.3
125.09728	1.4
127.07686	0.5
127.11226	0.4
137.09724	0.9
139.11307	0.3
143.03508	1.6
145.06206	1.2
146.04599	0.4
149.13364	0.3
151.11302	0.8
153.12851	0.6
155.10764	0.4
159.79387	0.3
161.04556	1.9
163.11223	0.5
165.12857	1.1
167.10785	0.6
167.14424	0.5
169.01466	1.3
169.12337	2.9
171.10255	9.5
172.10706	0.5
175.11267	0.7
179.05597	3.5
179.10558	0.4
181.12335	0.9
183.10292	0.3
183.13892	0.5
185.04536	0.4
185.11824	1.2
191.10786	0.4
193.12332	9.0
193.14124	0.5
197.11829	25.5
198.12149	1.1
199.13374	1.4
207.10208	0.4
209.11876	1.5
211.13393	6.6
221.06630	1.1
221.11789	1.4
225.14954	12.7
226.15295	0.6
227.12860	1.8
235.08301	2.9
239.12793	0.5
243.16052	4.9
253.09326	0.7
253.14616	0.8
263.20258	1.7
265.17926	0.8
273.18640	0.8
287.07697	0.7
289.18195	1.0
291.19662	9.6
292.20099	0.8
305.08673	1.0
305.21030	0.5
307.19211	0.6
309.20700	55.8
310.21100	2.8
323.10089	0.4
323.22253	0.8
325.20148	1.2
327.21713	0.9
341.23297	100.0
342.23679	5.4
379.12292	0.6
397.13470	17.3
398.13715	0.9
415.14563	16.4
416.14755	0.5
469.05011	0.9
633.43683	5.2
634.44440	0.5
689.33734	1.1
707.34979	3.0
708.36469	0.4
721.36517	2.0
739.37378	4.4
740.37769	0.9
1031.56763	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	23.2
78.95895	15.3
96.96010	60.4
102.06573	14.5
116.92917	14.8
123.00899	16.9
125.02457	100.0
169.01402	83.0
191.54686	20.9
209.11810	25.8
211.13248	21.2
273.03296	17.6
282.53680	16.1
289.42383	18.2
295.27386	18.3
411.14810	16.8
430.31604	18.9
468.54770	18.7
469.05112	54.2
478.64749	18.3
625.02795	16.0
764.30524	16.7
781.58148	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5594
Annotation	Unknow
Peak:m/z	Relative Intensity
71.89355	65.7
82.30441	65.3
106.62714	69.3
116.92878	67.2
125.02458	100.0
137.56035	72.1
169.01498	70.9
309.20770	86.8
388.80197	63.5
458.49655	73.6
469.04678	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1031.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99307	3.1
73.02946	5.5
75.00886	1.7
81.03451	5.4
83.01391	12.1
83.05018	4.5
84.02169	2.4
85.02965	13.6
87.00880	8.9
88.12814	1.1
89.02441	33.6
93.03478	1.9
95.01379	4.0
95.05037	4.0
96.96014	4.2
97.02952	11.3
97.06581	13.0
98.19843	2.1
99.00882	3.7
99.92557	2.6
101.01796	2.1
101.02446	30.4
106.04288	1.3
107.05031	1.3
109.02943	1.7
109.06576	3.9
111.00861	3.0
111.04538	2.1
111.08149	2.7
113.02454	18.4
114.19175	1.2
116.92845	9.5
117.92865	1.2
119.03515	10.2
119.08631	1.6
121.06593	2.3
123.00872	1.6
123.04530	10.5
123.08190	6.1
125.02448	10.6
125.09716	20.9
131.03488	1.8
135.08162	3.2
137.06076	1.8
137.09712	6.5
139.03941	1.7
139.11177	1.5
141.01968	1.2
141.12854	1.4
142.02699	1.7
143.03474	4.7
149.04518	1.1
149.06082	2.8
149.09683	1.6
151.07637	1.4
151.11366	1.5
153.09224	1.7
155.10748	2.3
160.08893	1.2
161.04607	6.4
161.09756	2.1
163.07634	2.2
163.11279	13.9
165.09099	1.8
165.12823	4.4
167.03574	1.2
167.10809	5.6
169.01352	2.9
171.10268	8.6
177.12878	1.5
179.05624	7.2
179.10786	1.9
181.12314	5.4
183.10268	2.9
185.11809	22.3
187.09755	2.9
189.12781	1.3
191.10754	4.2
191.14421	16.8
201.11320	1.5
207.10297	11.6
209.11826	41.1
210.12086	1.7
211.13371	5.8
213.11421	1.5
215.14369	1.3
217.15878	3.2
221.06636	5.8
223.13292	1.6
225.11311	8.6
226.12013	2.4
227.12840	10.5
227.17996	1.6
229.05482	1.9
235.08243	7.3
237.11293	7.3
243.17500	2.3
245.16689	2.3
245.19099	35.1
245.21605	2.1
246.19511	1.3
261.18625	1.3
263.07831	1.5
263.20206	8.4
271.17004	5.0
277.21884	1.1
281.21140	3.6
287.07764	1.3
287.16431	2.4
289.18088	100.0
290.18381	4.6
291.19672	17.4
293.21167	4.6
305.17471	4.9
307.19153	58.1
308.19492	2.8
309.20740	8.2
323.18573	2.9
325.20087	1.8
331.73984	1.2
341.23239	11.4
360.98224	1.1
379.12292	1.6
397.13516	17.1
415.14529	12.8
904.77478	1.5
963.32886	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	1017.5646
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	12.9
72.99321	0.9
73.02950	1.6
78.95903	0.5
79.95737	0.4
81.03462	1.2
83.01393	1.2
83.05022	1.3
85.02956	8.5
87.00882	2.4
89.02451	9.2
89.91244	0.4
93.39368	0.4
95.01387	1.2
95.04996	0.6
96.96014	3.2
97.02961	3.7
97.06599	2.8
98.95620	0.4
99.00879	1.1
101.02451	8.1
109.02940	0.4
109.06590	0.8
111.08171	4.1
113.02458	4.9
116.92857	0.7
119.03523	2.6
125.02460	4.2
125.09718	1.7
127.07664	0.5
127.11302	1.8
131.03494	0.5
137.09738	2.3
141.01947	0.4
143.03520	1.3
151.11319	0.8
153.12845	0.6
155.10837	1.0
161.04613	2.1
163.11346	0.4
165.12840	1.9
167.14420	0.6
169.01384	0.6
169.12354	1.7
171.10275	24.7
172.10544	1.0
175.11261	0.6
177.12852	0.9
179.05594	3.5
181.12355	1.3
183.13885	2.0
185.11792	1.0
193.12419	0.9
197.11836	19.4
199.13420	1.2
200.67671	0.5
201.11310	1.6
203.10818	0.6
206.16542	0.4
207.10295	1.2
209.11845	3.1
211.13414	14.2
212.13678	0.4
221.06691	1.4
221.11827	2.6
223.09756	0.5
225.11331	0.9
225.14677	0.4
227.12907	1.8
229.14436	8.6
230.14854	0.5
235.08179	2.6
239.12907	1.7
247.20683	1.0
253.09370	1.1
257.14157	0.4
263.07562	0.4
263.20050	1.2
265.18201	0.5
273.18558	1.2
287.07858	0.8
291.19696	11.6
292.20016	0.7
305.08740	1.2
307.19397	0.5
309.20724	50.2
310.21051	2.6
327.21771	100.0
328.22095	5.4
351.21701	0.5
379.12012	0.5
397.13492	21.7
398.13837	0.9
415.14569	19.9
416.15231	0.9
437.62054	0.4
558.82941	0.4
619.42108	4.1
707.34882	9.4
708.35590	1.1
725.36182	7.0
726.35925	0.4
882.58862	0.4
947.68994	0.6
1017.56561	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	1025.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
76.10892	0.2
79.63500	0.1
83.01384	0.4
85.02929	0.3
85.34570	0.1
93.03461	2.6
95.01427	0.2
97.36333	0.2
98.20672	0.4
101.02438	0.5
107.01408	1.2
108.02169	0.2
113.02429	0.6
114.42556	0.2
123.00887	0.4
125.02437	0.7
132.02179	0.6
135.00888	0.5
136.13850	0.2
137.02444	3.4
138.02762	0.2
140.01181	0.2
151.00360	2.8
156.40839	0.2
159.04495	0.3
163.00362	0.7
164.01125	0.3
167.04971	0.2
168.00635	0.2
169.01407	1.3
179.03453	0.2
183.02997	0.7
183.04497	0.3
185.06062	0.6
187.03983	0.7
189.05569	0.2
195.04491	0.2
197.05934	0.2
199.04018	0.4
200.04771	0.2
211.02258	0.3
211.04088	1.1
212.04828	0.4
213.05467	0.4
227.03481	18.6
228.03960	0.9
229.05013	1.7
229.19186	0.3
239.03456	0.8
240.04105	0.4
241.04997	0.4
255.02975	38.3
256.03650	5.7
257.04538	1.5
258.04938	0.3
267.03006	0.3
271.04529	0.4
281.06723	0.3
283.02301	0.3
284.03247	64.1
285.03976	18.6
286.04425	1.0
299.02377	0.2
299.05768	0.2
315.50446	0.2
327.05099	0.2
335.03995	0.2
353.19678	0.3
371.20578	0.5
413.21722	0.9
429.08209	0.4
447.09369	0.7
567.11407	100.0
567.23944	4.7
568.11737	9.4
582.27856	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5691
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	26.4
72.99314	3.4
73.02948	3.8
81.03443	2.9
83.01371	3.8
85.02929	5.8
87.00876	6.7
89.02446	22.3
92.26262	1.8
95.01390	2.1
97.02949	4.4
97.06559	3.7
101.02440	23.2
113.02462	13.6
116.92854	4.6
119.03509	6.1
123.04520	2.7
125.02441	10.7
125.09693	3.3
125.51080	1.6
137.09723	2.4
141.12794	2.3
143.03554	2.8
161.04535	5.4
163.11220	4.5
179.05516	5.5
185.11737	4.7
191.14441	5.8
207.10199	2.7
209.11803	15.5
235.08252	9.6
237.11275	3.7
245.19083	14.6
263.20135	5.3
271.16953	2.1
277.21716	100.0
278.22058	2.7
287.07675	3.0
289.18063	93.1
290.18484	5.8
305.08646	2.8
307.19141	92.0
308.19427	7.5
325.20313	2.5
379.12167	9.8
397.13489	83.8
398.14011	3.5
415.14536	24.5
675.35767	2.6
687.32678	4.9
867.48682	3.1
965.54254	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	1028.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01405	0.5
72.00909	0.7
74.02473	9.7
78.95976	0.2
81.04579	0.7
82.02969	1.5
84.04565	0.5
85.04072	0.3
86.02478	3.8
86.06122	0.5
86.99084	0.9
87.05626	2.1
88.04048	0.3
90.00194	0.7
94.42409	0.2
95.02531	0.3
96.04543	0.5
96.96011	0.3
97.03025	0.3
97.04079	1.2
99.05640	9.1
100.00401	0.3
101.02444	0.2
101.07216	1.3
102.05573	1.1
107.06158	0.5
109.04084	2.2
109.07713	0.5
110.02397	0.3
111.05644	0.8
112.04026	0.8
113.03559	0.6
116.01766	0.7
120.01295	0.4
123.00904	0.4
123.05625	1.3
124.04041	0.7
124.07741	0.3
125.02530	1.1
125.03472	1.1
127.05125	1.9
128.03540	27.3
129.02023	0.6
129.03937	0.5
130.05161	0.3
131.04604	0.4
135.05666	3.5
137.02481	0.3
137.07195	0.7
139.01613	0.2
139.05127	0.3
141.06676	2.3
143.04623	35.7
144.04948	0.7
145.06235	2.0
146.04593	3.6
149.07263	0.4
153.06688	3.1
155.08232	0.5
160.00731	9.2
166.09854	1.8
167.04623	3.0
167.08240	1.3
169.01414	1.0
170.03331	0.5
171.04088	0.7
171.07797	1.4
171.10287	0.3
177.03394	3.3
179.04620	8.4
181.06206	0.7
184.10977	0.6
185.05656	1.8
188.66527	0.2
192.07803	1.0
197.05716	1.3
198.08768	0.3
199.07246	0.5
209.11826	1.1
210.08839	9.2
211.08997	0.3
213.03358	0.4
218.56728	0.2
228.09885	0.7
231.04639	0.3
242.07823	0.7
244.09398	0.3
254.05109	0.4
254.07808	10.5
272.08878	19.3
273.09210	0.9
288.06592	5.9
295.27335	0.3
300.99835	0.5
302.20789	0.2
302.33215	0.2
304.06104	1.3
304.12442	0.3
305.08606	0.6
306.07642	100.0
307.07913	4.2
325.03232	0.3
332.05209	0.4
332.09186	7.0
438.69669	0.2
901.55994	0.3
950.41840	0.3
996.42535	0.7
1028.44971	3.7
1029.44556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97546	1.3
70.97866	1.2
71.01382	45.0
72.99296	2.6
73.02951	5.6
74.72773	0.9
75.00876	1.3
77.34319	0.8
80.02660	1.1
81.03429	4.6
83.01371	6.6
83.05018	3.0
84.02183	1.3
85.02954	13.1
86.00119	1.3
87.00878	10.2
88.20526	0.8
89.02444	35.8
93.03465	1.8
93.07074	1.1
95.01365	5.0
95.05027	3.2
96.96004	4.3
97.02954	12.1
97.06587	9.2
99.00886	2.5
101.02441	33.9
106.04231	1.5
109.02933	2.0
109.06573	3.6
111.00900	0.9
111.04517	1.6
111.08157	19.0
113.02447	19.1
116.92864	3.6
119.03503	10.2
119.08653	1.7
121.06598	2.4
123.00926	1.0
123.04533	4.5
123.08156	3.6
125.02447	11.1
125.06181	1.0
125.09734	14.3
127.07674	1.4
130.18893	0.8
131.03531	2.6
135.08177	2.0
137.06068	1.5
137.09746	5.0
139.04002	1.0
141.01935	1.2
141.12781	1.4
143.03537	5.4
145.05040	1.2
149.04602	1.3
149.06039	0.9
151.11278	2.0
153.09166	0.9
153.12799	1.7
161.04593	6.8
161.09724	1.4
163.07654	1.4
163.11264	9.6
164.08434	1.2
165.12828	4.9
167.10789	1.8
169.01425	1.7
169.12334	7.9
171.10287	8.2
177.12820	1.1
179.05618	12.7
179.10770	1.9
181.04927	1.0
181.12318	3.6
183.13904	1.4
185.04553	1.4
185.11818	12.0
189.12897	1.4
191.10741	1.0
191.14394	11.2
193.12311	3.6
195.13902	2.3
197.11827	100.0
198.12170	4.3
199.13387	5.3
207.10233	4.9
207.13770	0.9
209.11829	22.2
211.13390	15.4
217.15930	1.5
221.06612	4.1
221.11754	2.0
223.13367	1.6
225.11301	5.2
225.14912	2.3
227.12862	14.4
228.13062	1.2
235.08183	7.5
237.11357	4.4
239.12810	1.7
245.06523	1.0
245.19078	18.5
246.54106	0.9
247.16971	1.2
247.20692	2.5
253.09198	2.7
263.07770	2.3
263.20120	11.4
264.20297	1.2
265.18076	3.2
271.16992	3.4
273.18616	2.1
281.21088	1.6
287.07785	1.7
289.18094	85.3
290.18436	5.6
291.19647	40.9
292.20056	1.1
293.21228	19.0
294.21539	1.4
305.08755	2.9
307.19147	71.0
308.19431	3.7
309.20700	98.3
310.21075	6.4
323.09702	1.4
325.20096	2.2
333.20840	1.1
341.19229	1.9
341.23312	32.1
342.23563	3.3
379.12442	1.1
397.13498	47.1
398.13702	2.6
415.14539	30.8
416.15320	1.4
607.26062	3.8
617.44525	1.9
687.32874	1.2
691.35339	1.2
705.33020	3.5
721.35956	1.2
829.82098	1.2
997.54633	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	1015.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	33.2
72.99315	3.8
73.02952	7.0
78.95944	0.6
80.02665	1.2
81.03454	2.3
83.01408	5.3
83.05036	2.5
84.02184	0.8
85.02963	9.3
87.00880	8.4
89.02450	29.8
93.03468	1.3
95.01395	2.4
95.05031	2.4
96.96024	2.8
97.02959	8.6
97.06599	6.1
99.00878	1.6
99.92575	3.4
101.02449	24.9
102.02737	0.9
109.02975	0.9
109.06604	2.9
110.03749	0.6
111.00877	0.9
111.08157	15.9
113.02464	15.8
115.03972	0.9
116.92876	18.5
119.03506	8.6
119.05023	0.6
119.08615	0.9
121.03020	0.7
123.00858	1.1
123.04512	2.9
123.08147	2.7
124.01633	0.8
125.02461	10.2
125.06125	0.7
125.09727	9.3
127.07632	2.2
127.11330	1.1
128.03595	1.1
128.90112	1.0
131.03496	2.3
135.08156	1.5
137.06058	0.8
137.09720	3.7
141.01929	1.1
141.12854	1.0
143.03560	4.2
149.09785	1.0
151.11284	3.3
153.12885	1.7
155.10817	0.7
160.08870	0.7
161.04572	5.6
161.09807	1.1
163.11310	6.4
165.01866	0.7
165.09105	0.7
165.12874	4.1
167.10826	1.5
169.01389	1.4
169.12338	9.0
171.10300	4.0
177.12903	0.9
179.05627	7.6
179.10820	1.1
181.12297	3.9
183.02946	0.7
183.13905	1.9
185.11838	9.4
191.10797	2.0
191.14429	7.4
193.12329	1.8
197.11841	87.2
198.12160	3.6
199.11761	0.8
199.13266	3.8
205.12186	0.7
207.10316	4.1
209.11832	19.3
210.12238	1.2
211.13423	13.7
217.07149	0.9
217.15971	1.0
221.06638	3.2
225.11349	3.1
225.14932	0.8
227.12907	11.9
235.08205	7.9
237.11392	2.4
245.19109	17.0
247.16991	0.7
247.20619	1.0
251.12750	0.7
253.09381	1.5
263.07693	1.7
263.20142	11.1
265.18066	2.5
271.17001	2.3
273.18524	2.0
281.21225	1.3
287.07852	0.8
289.18115	59.9
290.18500	4.8
291.19662	29.6
291.22989	0.9
292.20197	1.3
293.21207	3.1
305.08823	2.0
307.19162	59.2
308.19666	3.6
309.20724	100.0
310.21021	8.1
314.72952	0.8
323.10046	1.1
325.20111	1.4
327.21851	0.9
341.23141	5.5
379.12366	1.9
396.96216	0.7
397.13507	33.3
398.13809	2.2
415.14597	22.1
416.15295	1.2
607.26184	3.1
705.33368	2.3
707.17169	0.9
817.37787	0.9
845.71875	0.8
899.46930	0.9
997.53223	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	1017.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	1.4
71.51591	0.6
71.51989	0.4
82.87883	0.4
83.01414	0.5
93.03436	0.4
95.01389	0.7
101.02454	1.1
106.83443	0.4
107.01386	5.2
119.66306	0.4
123.00917	1.8
124.01763	0.3
125.02450	26.5
126.02795	0.5
136.98796	0.5
139.00348	1.1
139.04002	0.5
140.01140	0.7
151.00356	3.3
163.00400	0.4
168.00630	1.3
169.01425	40.9
170.01797	1.1
172.95337	0.4
179.03542	0.5
183.02989	0.4
211.02429	1.1
212.04630	0.4
223.02538	0.5
227.03496	6.1
228.04085	0.4
229.05040	1.6
239.03522	0.5
241.03508	2.5
255.02974	10.7
256.03629	1.4
257.04483	1.9
271.04663	0.8
284.03250	18.3
285.04031	16.3
286.04285	0.7
289.31906	0.4
313.05652	11.2
314.06201	0.8
327.05295	0.4
373.18604	0.5
447.09506	2.6
599.10431	100.0
600.10699	12.0
728.36823	0.4
851.36798	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
98.20757	77.3
131.16214	82.1
133.18082	76.2
179.09637	100.0
216.04166	76.8
268.23343	78.3
321.99847	98.6
380.59583	75.2
408.29117	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	17.0
73.02950	2.2
78.95905	3.3
79.95737	1.7
81.03463	1.9
83.01393	2.1
83.05010	1.9
85.02954	7.9
87.00880	2.9
89.02448	10.6
95.01395	1.8
95.05048	1.3
96.96009	18.4
96.96982	2.4
97.02936	4.0
97.06576	5.4
98.20702	1.3
99.04498	1.1
101.02451	11.3
109.06596	4.7
111.08174	2.7
113.02441	6.0
119.03497	2.3
125.02425	6.8
125.09715	4.2
127.11319	1.8
135.08179	1.1
137.09711	2.1
141.01929	1.3
143.03514	2.6
151.11343	1.0
153.12941	1.0
155.14293	0.9
161.04530	3.0
163.11336	2.8
165.12866	1.9
166.99963	1.0
169.01460	1.8
169.08667	0.9
169.12360	3.9
171.10277	16.2
179.05624	5.0
179.10622	1.0
181.12401	2.2
182.02330	1.2
183.02777	0.9
183.13904	3.4
185.11862	2.9
191.14445	2.8
193.12337	1.4
195.10359	1.2
197.11807	22.3
199.13431	1.7
207.10263	1.5
209.11812	10.5
211.13397	22.3
212.13605	1.4
221.06615	2.3
221.11792	2.2
225.11342	1.6
227.12903	2.9
229.14389	10.5
234.63013	0.8
235.08232	3.9
235.13420	1.4
237.11438	1.2
239.12741	1.1
245.19043	6.1
253.09218	1.9
263.20160	2.1
265.18088	1.0
289.18106	18.9
290.18552	1.2
291.19711	10.5
305.08780	1.3
307.19153	24.2
308.19348	1.9
309.20676	34.5
310.21130	2.1
320.53845	0.9
325.20197	29.7
326.20636	2.1
327.21756	100.0
328.22162	5.7
379.12531	1.3
397.13516	31.0
398.13910	1.2
415.14575	21.9
416.14560	1.1
455.79800	0.9
469.05032	3.6
469.55505	1.4
607.25470	1.2
617.40460	2.3
687.32080	1.3
689.33405	1.1
705.33649	3.2
707.34717	4.7
723.34448	1.4
725.36053	3.1
917.47931	1.9
1015.54126	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	1008.5749
Annotation	Unknow
Peak:m/z	Relative Intensity
81.25380	40.2
92.27821	38.2
97.30025	37.8
98.19887	100.0
119.66801	37.0
168.33162	41.3
229.19734	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	1011.277
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.4
71.51904	0.5
72.25291	0.2
87.00835	0.3
88.77664	0.2
94.16618	0.2
95.01357	0.4
110.00088	0.4
111.00882	1.2
116.59982	0.3
120.38242	0.2
123.00895	0.7
123.99910	0.2
124.01694	0.9
125.02457	1.2
127.00379	0.5
136.98811	1.1
139.00391	1.6
140.01189	2.5
151.00386	0.8
163.95671	0.3
168.00638	4.8
169.01463	1.4
183.02979	100.0
184.03346	3.4
227.03561	0.3
255.02942	0.4
278.25089	0.3
284.03229	0.7
306.07651	0.4
335.04077	42.2
336.04462	2.4
369.75848	0.3
413.14539	3.0
469.05005	0.5
484.19113	0.3
485.19598	0.6
487.05289	0.5
523.22070	2.2
524.22382	0.8
525.22638	0.6
597.12256	0.9
728.87195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1012.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	35.6
71.50080	18.5
78.95904	14.2
79.95742	14.1
96.96014	100.0
98.98692	12.1
101.02438	16.7
112.21392	12.3
123.00883	19.8
123.87999	12.3
125.02446	42.6
169.01373	46.5
182.02254	11.8
207.10341	18.4
219.42690	12.6
225.11302	20.7
232.01819	11.1
309.20895	19.3
320.01117	17.1
397.13541	12.8
426.27237	11.7
468.54453	14.5
469.05322	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	1012.461
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	35.3
71.50542	26.5
77.68681	15.8
78.95901	29.6
96.95985	100.0
121.02975	19.3
123.00859	20.5
125.02425	55.9
169.01439	50.0
182.02271	34.9
209.11745	34.5
341.23074	25.0
397.13397	25.9
469.05133	54.2
536.89099	20.9
543.19257	19.1
646.32159	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1012.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99313	21.8
91.44842	19.0
96.96029	36.8
125.02471	47.3
131.81961	18.1
169.01401	66.6
188.17735	17.8
209.11749	94.1
211.13409	32.8
223.13332	23.3
289.18091	29.2
291.19604	100.0
292.20154	37.2
309.20560	35.7
451.20898	20.5
469.05066	38.4
469.55615	21.2
518.01337	18.7
555.13617	21.2
712.93427	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	1013.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13064	6.7
70.13437	3.6
71.01384	38.5
73.02943	5.1
75.00893	2.1
80.02666	2.2
81.03481	3.9
83.01384	7.0
83.05006	2.2
84.02171	1.8
85.02947	8.4
87.00855	6.9
88.98823	2.2
89.02448	26.5
93.03447	3.5
95.01366	5.4
95.05045	3.5
96.96061	3.9
97.02966	16.8
97.06578	9.4
99.00850	2.3
101.02444	29.1
109.02948	3.0
109.06586	3.1
111.00886	1.9
111.08208	3.6
113.02447	16.5
116.92854	2.5
119.03490	7.9
119.05122	1.6
121.02911	4.0
121.10215	2.4
123.04496	5.3
123.08163	7.8
125.02457	14.8
125.06056	2.4
125.09723	23.6
127.11300	3.5
131.03484	2.0
135.08180	11.3
137.09715	8.7
139.07652	6.5
143.03490	3.9
151.11336	2.3
153.09187	8.1
155.10788	25.1
161.04555	5.1
163.11264	8.1
165.09187	7.3
165.12839	7.4
169.01437	2.7
171.10300	10.9
179.05576	7.7
179.14471	2.9
183.10272	16.6
185.11830	11.4
191.14418	3.5
193.12302	3.1
194.53973	1.9
197.11809	5.2
199.09764	8.0
201.11311	13.2
202.49786	2.0
207.10243	5.8
209.11783	18.7
211.13483	4.5
213.11348	21.6
221.06656	4.4
223.13365	2.3
225.11267	5.9
227.12900	5.4
235.08163	6.2
241.11090	2.3
243.17476	5.3
245.19037	7.8
247.20718	6.8
261.18515	5.2
273.18515	2.5
275.32120	1.9
276.44629	2.0
279.19626	6.0
287.07748	2.8
287.16476	7.5
289.07391	2.5
289.18109	23.8
291.19678	56.2
292.19897	2.5
305.08624	3.0
305.17551	26.5
307.19174	21.5
309.20740	100.0
310.21112	6.5
323.09909	2.4
323.18661	43.9
324.18893	2.2
325.19678	2.7
341.23297	2.1
397.13531	45.3
398.13690	3.3
415.14465	17.0
420.52170	2.0
563.23456	3.5
581.24268	11.5
685.30927	4.5
703.31641	6.7
707.34760	2.9
721.33014	4.0
873.44818	6.1
995.50458	3.7
1013.51733	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	1003.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.5
71.50925	0.3
72.39597	0.3
85.02952	0.7
95.01379	0.6
102.11935	0.3
111.00891	0.6
113.20978	0.3
117.03448	0.3
119.05109	0.3
123.00903	1.4
125.02446	2.6
133.55295	0.3
145.02962	1.5
147.04552	0.6
149.02368	0.3
157.02969	0.7
159.04564	0.7
161.02449	0.9
163.00374	0.3
163.03986	0.7
169.01430	2.3
173.02426	1.6
175.04054	0.6
177.02013	0.4
185.02454	2.0
187.03964	0.3
189.01933	1.1
190.02690	0.6
191.03430	1.2
201.01942	2.1
202.02496	0.3
203.03510	2.1
205.03435	0.4
213.02040	0.6
214.02611	0.3
217.01384	1.7
217.05084	0.4
219.02907	0.5
221.04536	0.5
223.04520	1.3
226.99823	0.5
228.00644	0.5
229.01416	5.0
231.03029	2.2
245.00890	4.7
246.01439	0.5
247.02510	1.9
248.03235	0.3
249.03976	2.0
257.00897	4.4
258.01596	1.1
259.02478	0.5
273.00421	5.7
274.01160	2.4
275.01974	15.2
276.02396	0.5
283.99670	1.8
286.01205	0.4
287.01926	0.9
290.00558	0.6
291.01443	0.6
299.99115	2.0
300.99890	79.4
302.00232	3.8
303.05054	0.3
306.51749	0.3
314.00778	0.7
329.03033	1.0
330.06927	0.3
419.06116	0.5
463.05188	2.0
465.06442	0.4
465.95679	0.3
604.42181	0.3
633.07318	100.0
634.07721	9.8
637.21143	0.4
1016.46906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34122	2.5
71.01378	1.3
75.15332	0.3
79.01874	0.6
83.01396	0.4
85.02955	0.7
85.07677	0.3
89.02444	0.4
95.01363	1.1
97.02956	0.5
101.02431	0.6
107.01395	3.4
108.02146	0.4
109.02879	0.7
111.00863	1.2
113.02420	0.5
121.02958	1.0
123.00889	7.8
123.44520	0.3
124.01631	0.6
125.02444	9.7
136.98779	0.5
138.06813	0.7
139.00365	2.4
140.01146	1.4
140.26759	0.3
141.01904	0.8
148.01555	0.3
151.00360	10.1
153.01891	0.6
153.09210	1.2
156.69745	0.3
163.00415	0.9
163.03957	0.4
163.80939	0.3
168.00662	1.9
169.01418	12.7
178.99861	1.9
181.05165	0.4
211.02428	1.1
211.04231	0.4
225.14998	0.4
226.02734	0.4
227.03436	0.9
243.02928	3.4
245.04587	0.4
254.02133	0.8
255.02966	9.5
256.03525	0.6
271.02423	19.7
272.02890	1.3
273.03696	0.5
273.18860	0.3
283.02383	0.4
293.10266	0.3
299.01837	0.3
300.02731	41.7
301.03479	19.9
302.03940	1.0
313.05634	1.3
463.08804	54.6
464.09085	4.4
539.21295	100.0
540.21655	10.9
947.62177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	1.1
72.99309	0.3
73.02954	0.3
79.01888	0.5
83.01411	0.7
85.02967	0.5
89.02427	0.3
89.92990	0.2
95.01379	1.1
97.02988	0.3
98.19852	0.3
101.02451	0.7
101.98971	0.2
107.01403	2.3
109.02979	0.2
111.00875	0.8
113.02451	0.5
121.02983	0.5
123.00002	0.4
123.00897	6.5
124.01745	0.2
125.02457	8.7
127.00401	0.3
136.98813	0.9
137.02391	0.2
139.00386	3.1
140.01184	1.6
141.01979	1.1
150.54274	0.2
151.00371	7.1
151.04037	0.2
153.01921	0.5
163.00443	0.6
163.03926	0.5
168.00655	1.4
169.01436	11.5
178.99835	0.7
179.03474	0.2
181.05093	0.2
211.02435	1.0
222.31331	0.2
226.02774	0.3
227.03587	0.3
227.16573	0.2
243.02832	1.1
253.03416	0.2
255.03033	3.6
256.03415	0.3
271.02432	8.1
272.02911	0.5
283.02505	0.2
299.01929	0.4
300.02768	15.8
301.03470	6.5
302.03848	0.7
313.05621	1.1
463.08856	15.8
464.08942	1.4
539.21033	0.4
540.21509	0.6
541.22925	100.0
542.23273	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	996.6111
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03422	3.1
69.07076	12.3
71.01347	1.6
71.05000	3.1
71.08640	18.9
71.52368	1.6
73.02910	2.9
79.05499	16.6
81.03428	10.2
81.07065	29.2
83.04977	5.3
83.08627	13.8
85.02431	1.9
85.02912	21.2
85.06535	2.0
85.10185	13.7
87.04457	2.1
89.06040	2.3
91.03988	5.2
91.05492	7.4
93.07030	6.6
95.04964	4.1
95.08062	1.9
95.08614	26.0
97.02910	10.9
97.06560	2.4
97.10176	14.2
105.07007	1.5
107.04987	3.0
107.08588	7.0
109.06558	1.8
109.10165	49.9
111.08076	2.9
117.07011	2.8
119.08571	4.8
121.06479	1.3
121.10143	3.6
123.11687	3.8
125.09645	11.7
127.03934	4.1
129.05487	2.5
129.07011	1.5
131.08574	1.8
135.11679	3.4
137.09604	3.6
139.11252	1.3
143.10654	2.2
145.04950	3.9
145.10103	3.6
153.12741	1.7
155.10666	3.6
161.98993	1.1
163.05997	4.3
163.11174	4.9
173.09549	1.4
173.11757	15.3
181.12154	1.4
191.10760	1.8
193.12296	1.4
199.13300	7.1
209.11745	6.7
227.12772	8.6
229.14381	51.5
239.23703	4.9
257.24808	1.4
267.15884	3.8
269.89075	1.1
283.15393	4.7
301.16483	19.7
313.27402	100.0
314.27747	2.5
341.26956	1.8
399.23746	8.7
437.36124	4.5
455.37451	9.1
467.37372	39.1
468.37756	2.5
505.38922	2.3
521.38049	1.7
538.90271	1.3
539.39435	15.3
557.40240	3.6
560.79517	1.3
637.46765	27.7
638.46234	1.3
983.86694	1.3
996.94031	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	1001.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01401	1.5
71.52094	0.3
72.99320	0.3
79.01890	0.6
83.01389	0.7
85.02950	0.7
89.02428	0.4
91.33250	0.2
95.01395	1.3
97.02934	0.3
100.22170	0.2
101.02444	1.0
103.38783	0.2
107.01406	3.8
108.02193	0.3
109.02917	0.3
110.00085	0.3
111.00893	0.9
113.02445	0.3
121.02984	0.5
123.00894	8.5
124.01691	0.5
125.02453	11.6
125.91579	0.2
126.02876	0.2
127.00374	0.3
132.21809	0.2
136.05272	0.3
136.98814	0.7
137.02371	0.3
139.00371	2.8
140.01175	1.8
141.01926	0.7
148.01675	0.4
149.02481	0.2
151.00366	8.6
153.01892	0.3
153.09227	0.6
163.00391	0.9
163.03946	0.2
167.03506	0.3
168.00623	3.4
169.01436	15.1
170.01810	0.5
172.49687	0.2
175.03981	0.2
178.68851	0.2
178.99873	1.4
182.44377	0.2
199.03998	0.3
205.12357	0.8
211.02469	4.2
211.04379	0.3
216.04208	0.3
226.02617	0.3
227.03531	0.9
241.03473	0.5
243.02968	2.3
245.04543	0.4
254.02179	0.5
255.02995	7.3
256.03375	0.7
271.02463	14.1
271.04730	3.2
272.02798	1.2
283.02472	0.4
299.02020	0.6
300.02762	30.3
301.03494	10.4
302.03833	0.5
313.05804	1.6
331.06744	0.3
343.04242	0.3
407.09805	0.4
463.08847	34.6
464.09219	2.3
536.17816	0.2
537.19781	100.0
538.20123	10.1
593.15320	0.3
599.10669	0.4
705.22693	0.3
915.58905	0.3
967.97522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5604
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	2.7
69.07066	0.6
69.67742	1.7
71.01337	0.3
73.02917	2.7
74.60699	0.3
79.05487	2.1
81.03406	1.7
81.07059	3.2
83.05010	0.5
83.08625	0.4
85.02902	4.4
91.03958	3.1
91.05476	1.9
93.07047	2.5
95.04987	0.3
95.08601	1.7
97.02890	4.1
97.06564	0.3
99.04465	0.9
101.02390	1.3
103.03944	0.3
105.07059	0.9
107.08617	1.2
109.02898	0.6
109.09456	0.3
109.10175	1.1
111.08060	0.3
116.37379	0.3
117.07016	0.6
119.08626	0.8
121.10165	0.7
127.03946	1.1
131.08609	0.5
133.10149	0.5
135.11746	0.8
153.01935	0.3
185.04271	0.9
201.03769	0.3
203.05345	0.7
243.08339	1.7
298.10895	0.3
333.20566	1.1
335.26041	0.6
347.09399	1.4
363.09171	0.6
365.10815	1.0
405.13657	4.9
405.18500	0.3
439.19287	0.6
453.21356	1.0
519.29266	4.4
540.67139	0.4
551.28363	2.0
601.25305	0.3
615.26520	0.5
681.34509	5.1
713.33514	2.5
829.50995	0.8
893.48975	1.3
895.87573	0.3
991.56055	100.0
992.56299	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	996.6104
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	2.6
69.06735	0.8
69.07076	10.7
69.31393	4.9
71.01334	1.4
71.04992	2.6
71.08635	18.3
72.97634	0.5
73.02924	3.2
75.07861	0.5
79.05497	12.3
81.03423	7.5
81.07063	27.5
83.01321	0.8
83.04996	5.0
83.08624	14.4
85.02913	16.0
85.06525	2.3
85.10186	12.8
87.04472	3.2
89.06049	1.1
91.03959	6.4
91.05475	8.1
93.07047	7.1
95.04974	2.8
95.08614	21.9
96.04465	0.7
97.02897	9.6
97.06552	2.7
97.10175	13.6
97.18494	0.5
99.04444	1.0
99.08085	1.2
99.11713	0.8
103.03920	1.3
103.07596	1.0
104.16206	0.5
105.07035	2.9
107.04961	2.4
107.08598	7.9
109.02847	0.6
109.06534	1.5
109.10162	44.9
111.04439	1.7
111.08065	3.1
111.11719	1.0
117.07028	1.8
119.08581	5.6
119.10416	0.6
121.06570	0.6
121.10131	2.6
123.08057	1.6
123.11699	3.3
125.06023	0.6
125.09634	10.7
125.13244	0.6
127.03960	2.9
129.05513	1.6
129.06993	0.8
131.08580	1.5
133.10150	0.8
135.08092	0.8
135.11674	2.3
137.09621	1.7
137.13274	1.5
143.10687	2.4
145.04977	2.7
145.10153	2.3
147.08035	0.8
147.11636	0.7
149.09605	0.7
153.12779	1.9
155.10686	2.7
157.08626	0.7
163.06013	2.9
163.11197	5.2
173.04507	0.8
173.09596	1.5
173.11760	10.1
175.11200	0.8
181.12256	2.2
191.10701	2.2
191.80946	0.5
192.27173	0.5
193.12270	2.4
199.13303	6.6
209.11768	5.8
211.13300	1.4
221.22624	0.5
227.12807	7.6
229.14366	44.9
239.23677	4.9
245.13979	0.6
257.13913	0.9
257.24799	1.7
265.14392	1.0
267.15948	3.5
283.15500	3.1
301.16483	21.6
313.27383	100.0
314.27731	2.2
320.79575	0.6
341.26913	3.5
399.23813	14.3
400.23499	0.6
430.70755	0.6
437.36316	3.2
455.37338	9.0
467.37384	32.2
468.37756	0.8
505.38776	1.9
521.38623	2.2
523.39886	0.7
524.85028	0.6
539.39380	11.8
557.40741	5.3
637.46765	38.5
638.46906	1.5
676.84259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6053
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	9.0
69.07069	24.1
69.81171	4.6
71.04996	4.9
73.02898	3.0
77.03913	1.3
79.05496	71.9
81.03419	11.4
81.07059	85.5
83.04983	9.6
83.08624	13.1
85.02905	12.8
85.06526	2.9
87.04469	0.9
91.03963	4.0
91.05483	53.4
93.07046	75.8
94.07340	1.2
95.04971	11.0
95.08611	53.8
95.96596	0.8
97.02894	8.4
97.06531	13.0
97.10171	5.3
99.04446	1.7
99.08099	3.3
103.05478	1.7
105.04502	2.0
105.07036	37.5
107.04955	5.9
107.08596	41.3
109.02879	1.4
109.06522	6.2
109.10165	23.0
111.04446	1.4
111.08092	6.0
113.09655	0.9
115.05432	2.5
117.06225	1.4
117.07019	18.0
119.06100	1.0
119.08585	27.3
121.06502	3.3
121.10146	28.2
123.08077	3.7
123.11711	7.8
125.09602	4.2
127.03908	5.2
128.06242	1.5
129.05470	1.6
129.06996	5.8
131.08578	23.3
133.06532	1.1
133.10138	26.1
135.08092	4.5
135.11699	19.7
137.06030	0.9
137.09612	2.2
137.13182	1.1
138.13385	0.8
139.11206	1.4
141.06987	1.9
143.08589	5.3
145.04932	2.3
145.06525	1.1
145.10130	17.3
147.08102	1.2
147.11696	12.5
149.09634	8.2
149.13269	16.4
151.11224	1.8
155.08533	3.6
157.10127	4.7
159.11696	13.9
161.09560	1.2
161.13249	6.9
163.06046	1.0
163.11177	6.1
163.14885	2.3
165.12775	1.9
169.10110	2.9
171.11655	3.4
173.04442	3.9
173.11925	1.1
173.13277	6.7
175.11148	1.2
175.14807	2.1
177.12770	2.6
177.16241	0.9
179.14326	1.9
181.12202	1.3
183.11685	3.0
185.13268	3.7
187.14825	2.8
189.16393	1.4
195.13812	5.6
197.13332	1.8
199.14864	1.7
201.12843	1.3
201.16412	2.2
215.17934	1.3
227.12833	2.8
229.14192	1.4
229.19539	1.5
233.15381	1.0
239.17934	2.0
243.21001	2.9
247.20537	1.9
255.15886	9.0
257.18997	5.0
259.20721	1.7
261.22156	9.7
267.15915	2.2
269.17484	34.2
275.20065	19.3
277.21643	1.5
293.21179	1.8
309.20465	1.4
317.24704	2.4
331.22629	2.4
333.24271	1.6
335.25812	90.6
336.26108	1.9
339.18414	0.9
349.23749	21.6
349.27509	0.9
351.25476	1.2
353.24640	1.0
367.24713	4.5
413.21536	2.7
423.32468	1.1
437.34128	3.0
489.35443	2.0
496.76855	1.0
511.37820	1.2
515.37341	18.2
529.38934	100.0
530.39221	3.7
533.38043	1.1
547.39795	1.5
561.77484	0.8
569.42139	4.3
609.45099	29.5
610.45850	1.8
627.46130	10.2
673.42841	3.1
691.44049	1.2
833.77557	0.9
858.89606	0.9
983.52130	0.9
1019.63458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.6366
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	5.5
69.07075	31.6
71.01334	1.3
71.04987	3.9
71.08628	3.5
71.52168	1.4
73.02928	2.7
79.05497	27.2
81.03432	9.1
81.07060	57.7
83.04978	5.7
83.08617	22.9
85.02905	7.9
85.06544	3.3
91.03970	2.8
91.05486	24.2
93.07049	36.2
95.04966	5.3
95.08615	33.7
97.02892	4.7
97.06532	9.3
97.10187	14.2
99.04462	2.0
99.08117	2.0
105.07043	16.2
107.04969	5.7
107.08595	23.8
109.02926	1.8
109.06484	1.8
109.10155	16.4
111.04430	1.2
111.08090	4.7
111.11745	3.0
117.07037	7.1
119.08590	12.0
121.06521	2.2
121.10153	18.5
121.96730	1.1
123.08076	3.2
123.11719	2.7
127.03941	3.7
129.06998	2.7
131.08592	11.0
133.10144	10.6
135.08080	2.4
135.11696	15.7
143.08577	2.3
145.04918	2.5
145.10097	7.8
147.06786	1.2
147.07939	1.4
147.11696	3.9
149.09634	5.9
149.13266	11.2
151.11151	2.3
155.08612	1.4
157.10172	3.4
159.11734	9.2
161.09669	1.6
161.13269	2.6
163.05943	1.6
163.11189	5.2
169.10126	1.3
171.11679	1.3
173.04457	1.4
173.13283	2.4
177.12756	2.3
183.11713	1.8
195.13799	3.6
227.12825	2.3
235.17102	1.1
239.17958	1.3
247.24162	1.7
251.64742	1.2
255.15962	13.3
257.19104	6.1
265.25247	2.9
269.17511	42.4
275.17010	1.8
275.20056	18.4
293.21082	1.8
331.22693	1.7
339.28964	73.2
339.42914	1.3
349.23810	16.8
367.24722	4.6
413.21707	4.3
493.39529	1.5
511.66876	1.3
519.33099	1.8
519.40527	22.1
533.42059	100.0
534.42285	2.4
555.13928	1.2
573.44751	2.1
613.38831	2.3
613.48224	26.5
614.48138	2.2
631.49670	9.7
677.45941	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	5.7
69.07073	20.0
69.07442	0.6
69.81935	2.4
71.04971	1.6
71.63261	0.4
77.03895	0.6
79.05497	32.6
81.03423	4.9
81.07062	37.6
82.07346	0.6
83.04980	3.6
83.08625	6.8
85.02902	3.9
85.06525	1.2
91.03915	1.9
91.05486	20.1
93.07047	29.6
95.01289	0.5
95.04979	6.3
95.08613	26.6
97.02904	10.7
97.06535	3.3
97.09575	0.5
97.10175	9.5
99.04395	0.5
103.05460	1.0
105.04472	1.2
105.07037	14.7
107.04968	5.0
107.08599	18.8
109.02870	0.8
109.06566	2.6
109.10162	13.2
111.04427	0.9
111.08088	2.2
113.09688	0.5
115.05415	0.8
115.36300	0.5
117.07021	7.3
119.04913	0.8
119.07834	0.8
119.08592	12.7
121.06519	2.5
121.10151	12.3
123.04392	0.7
123.08065	3.2
123.11701	3.0
125.09628	7.0
127.03905	1.0
128.06195	1.1
129.07028	3.2
131.08580	11.3
133.06445	2.1
133.09290	0.5
133.10155	6.8
134.07249	1.0
135.08054	2.4
135.11703	6.1
137.09612	1.3
137.13260	0.5
139.11143	0.8
141.06996	0.7
142.07803	0.6
143.08559	3.0
144.09335	0.8
145.05008	0.7
145.06529	0.7
145.10146	7.4
147.08063	4.1
147.11688	4.3
149.09589	1.6
149.13268	4.3
151.11115	0.8
153.09039	0.9
155.08453	0.6
157.10133	2.6
159.11681	4.2
161.09570	2.1
161.13292	2.4
162.10483	0.5
163.11143	1.8
163.14789	1.5
165.09126	1.6
169.10150	0.4
169.12184	0.7
171.10147	0.5
171.11646	1.4
173.04375	0.5
173.11794	0.6
173.13254	2.1
175.11200	1.6
177.12747	1.4
178.80449	0.4
181.12115	0.6
185.13232	1.3
187.13353	0.5
187.14857	1.4
189.11238	3.7
189.12743	0.9
193.12242	1.1
195.13774	1.0
201.12575	0.5
201.16393	0.5
205.12265	1.4
211.13268	1.0
223.13297	16.4
223.15472	0.9
227.12738	3.2
228.57561	0.5
233.22760	0.6
237.16354	0.5
243.21181	2.2
245.19037	1.2
249.14906	2.6
255.17500	0.9
259.20587	0.8
260.23642	0.5
261.22186	6.9
263.20255	0.8
267.15970	1.0
273.18521	9.4
275.20010	0.8
291.19559	79.2
292.19934	2.0
309.20569	0.9
316.02396	0.4
317.24844	2.8
330.81143	0.5
335.25821	72.4
336.26160	1.1
347.22394	2.2
365.23254	43.3
366.23492	1.1
527.37604	1.7
543.37836	0.5
545.38391	4.2
557.38818	0.7
567.40692	0.5
607.43701	2.7
625.44659	100.0
626.45032	4.2
787.49292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5898
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	7.1
69.07074	20.9
69.07425	0.8
69.15885	1.5
69.16298	4.5
71.04951	2.0
73.02906	0.8
75.07576	0.5
77.03922	0.6
79.05497	32.1
81.03423	5.5
81.07061	37.1
83.04994	3.4
83.08625	9.7
85.02917	4.4
85.06508	1.3
91.03920	1.6
91.05484	23.8
92.80795	0.5
93.07050	30.8
94.04158	0.9
95.01303	0.8
95.04962	7.0
95.08610	24.1
97.02319	0.6
97.02890	10.3
97.06533	3.9
97.10179	11.7
99.04401	0.5
99.08046	0.9
103.05440	0.7
105.04513	1.1
105.07035	17.3
107.04953	6.1
107.08596	19.6
109.02811	0.7
109.06494	2.5
109.10166	12.9
111.04423	0.7
111.08053	2.2
115.05399	1.3
116.06187	0.6
117.07025	8.7
119.04899	1.2
119.08587	13.2
120.11698	0.5
121.06511	2.6
121.10153	11.5
123.04359	0.8
123.08074	3.5
123.11753	3.4
125.09637	8.2
127.03807	0.8
128.06181	1.3
129.06992	3.2
130.07756	0.8
131.07599	0.7
131.08568	12.2
133.06450	2.3
133.10135	7.7
134.07220	1.2
135.08046	2.6
135.11690	7.4
137.09570	1.5
137.13223	1.1
143.08575	4.1
145.04892	1.3
145.06476	1.1
145.10133	7.6
145.54065	0.5
147.08061	4.6
147.11699	4.9
149.09560	1.9
149.13269	4.2
153.09024	1.1
155.08501	0.6
157.10146	2.8
159.08051	0.9
159.11688	5.0
161.09639	2.5
161.13277	2.8
162.10410	0.9
163.05919	1.0
163.11156	2.0
163.14784	1.9
165.09048	1.2
169.10072	1.1
171.10249	0.9
171.11662	1.8
173.13268	2.7
175.11154	2.0
175.14699	1.2
177.12773	1.0
185.13280	0.9
187.14777	1.2
189.11246	3.4
189.12691	0.7
193.12218	1.4
195.11591	0.6
195.13695	0.7
199.14764	0.5
205.12257	1.7
211.13249	1.3
223.13310	18.7
227.12773	4.6
227.17821	0.6
243.21114	3.2
245.19000	0.8
249.14990	3.2
255.17357	0.9
259.20819	0.7
261.22198	8.8
263.20111	0.8
267.15820	1.9
273.18503	12.2
275.19922	0.7
283.63525	0.7
285.17059	0.9
291.19550	100.0
292.19852	2.2
302.06592	0.6
309.20667	1.0
317.24704	4.2
335.25815	69.5
336.26190	1.8
347.22220	1.8
349.24005	0.7
365.23251	67.5
366.23651	1.5
429.21048	0.8
527.37311	1.2
533.40192	0.7
545.38409	4.9
551.40936	1.1
557.38550	0.7
607.43518	2.8
625.44653	86.0
626.44806	4.0
643.45654	1.2
984.58130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05854	1.5
69.03433	10.6
69.07069	34.7
69.15693	4.5
69.16115	8.5
71.01349	2.5
71.05000	11.6
73.02917	2.5
77.03920	1.6
79.05495	66.0
81.03421	100.0
81.07059	77.4
83.04984	15.2
83.08156	1.7
83.08624	29.5
85.02505	1.3
85.02917	14.1
85.06532	5.9
87.04456	6.1
91.03964	4.8
91.05482	74.3
91.67796	1.3
93.07047	58.1
95.04970	40.6
95.08607	43.6
97.02896	14.5
97.06545	17.8
97.10165	17.4
99.04453	4.1
99.08083	2.4
103.05471	2.9
105.04536	2.7
105.07033	47.7
107.04962	21.3
107.08596	35.6
109.02877	4.4
109.06529	11.5
109.10159	57.4
111.04439	5.1
111.08081	13.0
113.06026	2.2
115.05450	5.1
115.92087	1.1
116.06265	1.6
117.06245	1.3
117.07027	19.3
119.04906	3.2
119.08586	41.8
121.06512	12.3
121.09332	1.8
121.10152	24.1
123.04424	3.7
123.08060	8.3
123.11715	4.5
125.09630	14.4
127.03904	4.1
127.07620	1.3
128.06204	3.7
129.05452	3.1
129.07013	20.0
130.07800	2.4
131.04903	3.9
131.08572	29.2
131.21837	1.3
133.06490	8.2
133.09125	1.7
133.10136	25.1
135.08070	7.6
135.11685	14.9
137.05984	2.2
137.09639	12.5
139.11194	1.3
141.07005	3.4
141.09021	1.4
142.07791	5.1
143.08572	9.8
143.10699	1.3
145.04903	1.6
145.06473	5.4
145.10124	20.5
147.08052	8.7
147.11703	15.3
149.09633	26.2
149.13234	6.5
151.11182	3.5
153.09071	1.5
153.12727	1.5
155.08565	4.6
155.10635	6.7
157.10138	17.1
159.08043	3.3
159.11714	11.7
161.09605	5.4
161.13269	5.0
163.11185	16.4
165.09097	2.0
165.12738	4.1
167.08591	1.6
167.10759	1.3
169.10133	3.7
171.08051	1.8
171.10345	1.6
171.11714	4.4
173.04477	3.5
173.07343	1.3
173.09581	2.4
173.10345	1.4
173.11737	16.2
173.13264	4.3
175.11172	15.8
177.12743	4.6
179.14368	3.6
181.10358	1.5
181.12206	4.0
183.11687	3.9
185.09700	2.3
185.11789	1.5
185.13306	3.6
187.11208	3.3
187.13284	2.2
187.14775	2.1
189.11256	5.9
189.12662	2.0
191.10713	3.2
193.12247	33.1
195.11745	2.6
195.13809	3.5
197.13332	2.1
197.15381	1.1
199.11360	1.8
199.13326	2.7
203.10596	1.6
203.14394	2.2
205.12233	3.1
209.11711	3.7
211.11374	1.6
211.13193	6.0
213.14682	1.3
217.12341	1.7
219.13805	2.0
223.13255	3.2
225.14690	5.5
227.12766	11.1
229.12096	2.7
229.14342	51.2
231.13867	1.6
233.15523	1.6
235.13301	1.5
239.18010	1.7
241.14276	2.2
243.15927	5.1
245.13716	1.5
247.13176	1.3
247.20482	1.8
249.14827	6.5
253.14256	2.1
255.15926	7.5
257.19009	3.9
259.15338	2.1
263.16388	1.7
267.15915	88.9
268.16354	2.8
269.17413	7.9
273.14877	2.8
273.18494	5.9
275.20065	21.2
283.15341	2.5
285.17010	2.7
291.19540	9.8
293.21109	2.1
299.14951	1.5
309.17010	2.0
311.19833	1.7
315.18118	2.2
329.21216	6.1
331.22757	2.4
343.22681	2.3
347.22128	2.6
349.23782	20.8
350.23917	1.4
355.22736	2.6
365.23300	5.7
373.23581	2.5
379.97116	1.2
385.23813	1.7
389.22998	1.3
391.24808	1.2
403.25070	6.7
409.25745	4.9
417.26306	2.7
421.25876	39.5
423.27347	12.1
429.26175	4.0
435.27304	8.9
437.24878	1.7
445.29590	2.3
447.27444	33.6
448.27866	1.7
449.30045	2.1
453.28577	1.7
459.27460	2.7
461.28928	4.1
463.26828	1.7
465.29959	1.6
477.28531	2.1
489.28632	2.5
493.31418	1.3
503.33945	3.5
509.31039	2.6
523.34149	1.6
540.34814	1.5
541.35272	49.2
543.36304	1.8
547.29150	2.0
557.34674	3.9
559.36426	14.3
591.39221	1.6
607.36279	1.6
613.98846	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.6152
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	7.5
69.06725	3.2
69.07072	38.8
71.01357	2.5
71.04997	4.0
71.08639	30.1
71.49198	1.4
71.51785	1.6
71.52207	3.1
73.02924	4.2
79.05067	3.3
79.05498	43.1
81.03416	15.4
81.07056	69.6
83.04980	8.6
83.08622	21.3
85.02903	18.1
85.06527	5.8
85.10192	16.2
89.06033	2.1
91.03955	6.3
91.05482	45.9
93.07045	46.5
95.04964	11.5
95.08609	57.1
97.02892	12.9
97.06525	14.7
97.10159	13.9
103.05493	1.9
105.06375	1.4
105.07033	35.5
107.04939	10.3
107.08599	20.7
109.02879	3.2
109.06523	5.6
109.10153	33.2
110.77784	1.9
111.04453	3.2
111.08064	6.2
111.11727	2.0
115.05459	2.0
117.07019	9.2
119.08580	24.3
121.06499	5.4
121.10117	11.4
123.08081	8.7
123.11707	7.6
125.09616	5.0
127.03899	5.9
129.05460	3.3
129.07018	5.8
131.08545	12.6
133.10135	17.4
135.08009	4.2
135.11723	10.6
137.09613	12.2
137.13194	2.6
143.08545	5.8
145.04974	2.6
145.10141	11.8
145.52951	2.0
147.11671	11.3
149.09625	15.2
149.13303	4.1
151.11229	3.0
155.10674	2.3
157.10129	4.9
159.11681	9.4
161.09639	3.5
161.13242	6.3
163.11197	9.1
165.09094	2.5
171.10284	1.9
171.11719	6.5
173.04482	2.4
173.11723	6.5
173.13284	5.1
175.11131	3.1
177.12845	2.6
179.14305	6.4
185.13316	2.3
193.12233	2.2
207.13824	2.3
227.12801	2.3
229.14336	6.9
229.19447	3.3
239.23718	6.6
243.16158	2.2
247.20564	3.4
253.14500	2.3
255.15881	5.6
257.19025	6.0
267.15924	4.8
273.18460	6.4
275.20087	36.4
285.16986	3.3
291.19495	6.3
293.21204	3.4
313.27353	100.0
314.27460	2.9
321.24319	1.9
349.23740	58.2
365.23251	6.7
373.18405	2.5
383.24277	2.3
409.33035	7.3
415.71930	1.8
467.37369	33.4
473.28918	3.2
481.38699	8.7
491.41010	8.4
493.38794	6.2
507.40451	7.9
587.46637	66.4
588.46545	3.3
605.48059	9.9
832.20282	1.9
873.23151	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	980.6158
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03437	6.6
69.07074	33.5
69.17425	4.7
69.17844	8.6
71.05007	4.0
71.08636	21.7
73.00532	1.4
73.02927	2.5
73.50594	1.2
79.05499	33.0
81.03430	13.0
81.07061	51.6
83.04976	5.5
83.08626	14.8
85.02913	12.5
85.06548	2.2
85.10184	13.3
86.89600	1.1
91.03965	6.4
91.05486	29.8
93.07050	28.6
95.04984	8.6
95.08617	45.2
97.02901	11.2
97.06528	11.8
97.10162	9.4
98.21455	2.6
99.04470	1.5
99.08088	2.1
103.05500	1.6
105.07040	27.3
107.04935	7.0
107.08603	17.6
109.02903	3.5
109.06525	3.1
109.10172	26.6
111.04422	1.7
111.08105	3.7
117.07027	7.7
119.08584	17.9
121.06509	3.4
121.10172	11.6
123.08067	5.8
123.11719	5.0
125.09639	4.2
127.03956	6.1
128.06197	1.2
129.05481	2.9
129.07024	3.8
131.08595	10.8
133.06532	2.2
133.10149	14.3
135.08092	3.8
135.11711	9.5
137.09631	10.9
141.07068	1.2
143.08553	4.3
145.04938	3.0
145.06625	1.6
145.10147	10.5
147.08055	2.8
147.11707	7.9
149.09631	16.0
149.13246	2.7
151.11163	2.8
155.08597	1.7
155.10652	1.8
157.10147	3.9
159.11682	8.4
161.09592	2.0
161.13280	5.1
163.11232	6.1
165.09174	1.4
165.12770	1.8
169.10187	2.8
171.11673	3.2
173.11755	6.0
173.13280	3.9
175.11165	1.8
177.12740	2.6
179.14394	7.4
187.11246	1.7
195.13837	2.9
195.89244	1.2
227.12772	2.5
229.14340	7.5
229.19496	1.7
231.17451	1.4
239.17902	2.3
239.23730	4.5
243.15968	2.3
245.68500	1.2
247.20601	3.2
255.15831	2.6
257.19080	7.3
266.35654	1.5
267.15970	4.1
273.18488	4.7
275.20096	31.4
291.19595	7.8
293.21091	4.5
299.15021	1.3
313.27390	100.0
314.27917	3.0
331.22635	2.1
347.22122	1.6
349.23770	60.1
350.24310	1.7
365.23450	4.1
375.91534	1.3
409.33362	9.8
467.37384	32.2
473.28922	3.4
481.39035	12.1
485.42984	1.5
491.41074	9.8
493.38632	4.5
505.44818	1.5
507.40384	7.4
523.39838	1.8
587.46790	62.3
587.56311	3.1
588.47211	1.5
603.46082	4.1
605.48047	12.8
937.80286	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06595	16.1
71.06101	0.2
71.52321	0.3
72.08157	24.8
77.03920	0.2
79.05476	0.2
81.03415	0.2
82.06580	0.2
84.04507	4.3
84.08138	1.1
86.02443	0.6
86.09698	0.3
91.05480	7.3
93.07059	0.8
94.06583	0.3
95.04961	0.4
97.04007	0.3
97.97406	0.2
98.09705	0.9
99.05576	1.7
103.05467	4.8
104.26583	0.2
105.06388	0.2
105.07034	0.7
107.04946	0.7
109.06524	0.3
112.07579	0.5
114.08411	0.4
114.09174	6.3
115.05437	0.6
117.05807	0.2
117.07028	0.4
118.06556	2.3
119.04949	4.3
120.08109	100.0
121.06486	0.2
121.07690	0.2
121.08418	1.0
123.04450	0.2
127.90046	0.2
129.07040	0.4
129.10213	0.5
130.06525	2.2
131.04945	0.4
132.08087	3.3
133.06490	0.2
136.07584	32.4
137.07916	0.5
139.08649	2.2
140.07069	2.0
142.06544	0.7
143.07304	0.4
144.06949	0.2
144.08076	4.0
145.06558	0.2
145.07607	4.3
146.06012	10.9
146.09656	1.3
147.04344	0.3
147.09116	0.2
148.07613	0.4
151.41650	0.2
152.04633	0.2
153.01784	0.2
154.06549	0.6
155.08205	0.3
156.08102	0.4
157.09729	23.6
158.06033	0.5
158.09787	0.3
159.09183	5.2
160.07587	1.4
162.09100	0.2
165.05464	0.5
165.10222	0.4
167.08151	0.4
168.09055	0.4
169.07684	0.6
170.06052	1.3
171.09221	1.3
172.07559	3.3
173.10765	0.3
174.12804	1.1
176.07031	0.5
181.07713	0.6
181.09724	8.3
182.06070	0.5
182.08147	2.3
182.09695	0.2
183.09213	1.0
183.11299	0.3
184.07579	0.8
185.09222	22.8
186.05536	0.7
186.09319	0.3
187.08676	0.7
188.07072	31.2
189.07445	0.5
191.11800	5.1
193.09773	0.2
197.10658	0.3
198.05489	0.6
199.08664	3.2
200.07079	1.5
201.10255	0.5
202.08621	0.3
202.67999	0.2
204.06697	0.2
205.09731	19.3
206.09970	0.2
207.10059	0.6
208.10820	0.3
209.07207	0.6
209.09186	4.8
210.05438	0.2
211.08704	0.5
211.10709	0.3
212.07053	0.6
214.04947	1.0
215.08130	0.5
216.08841	0.9
217.09703	1.3
219.11298	5.5
219.14769	1.1
226.08614	0.3
227.08162	3.6
227.11632	0.3
228.06540	0.6
229.09799	0.9
230.12900	0.5
232.06038	2.1
238.12010	0.3
240.14911	0.3
241.13371	0.6
242.16628	0.2
243.09857	0.3
244.11069	0.2
245.09294	1.1
245.16545	0.3
247.14436	0.8
249.08760	1.6
253.09624	0.2
253.13126	0.2
254.11905	0.5
255.07729	0.4
256.06042	2.9
257.12994	0.2
258.12402	0.6
259.14468	1.2
268.14557	1.5
270.15897	0.3
271.14438	0.7
273.08701	6.1
276.13440	13.5
277.13773	0.3
281.12753	0.3
284.07956	0.4
285.12222	1.2
286.15472	2.6
287.13882	3.2
298.12192	0.4
298.15527	1.1
299.10342	0.4
300.81006	0.2
302.14896	0.4
304.16531	0.5
308.13733	0.3
314.14996	8.4
315.13324	3.4
318.18146	0.6
320.15991	0.9
325.15497	0.6
326.14938	1.6
327.13318	1.4
332.16049	42.5
333.16272	1.0
334.98676	0.2
344.12289	2.8
344.16064	4.0
353.03918	0.2
354.14478	0.8
355.13107	0.4
358.17612	1.1
368.16000	0.6
372.15558	4.0
375.20093	0.9
385.18604	0.5
386.16782	0.7
390.16620	1.7
398.16855	0.4
403.19775	25.5
404.20114	0.9
405.19165	0.4
415.19662	0.4
420.15472	0.3
423.20288	10.0
438.24466	0.2
439.16360	0.2
443.19138	0.9
446.17038	0.6
457.17154	3.1
491.19186	0.7
495.21820	0.3
510.23489	2.5
519.21979	0.7
522.27386	1.0
528.24634	2.4
538.23077	1.3
539.21112	0.3
544.25464	1.6
545.23792	0.8
556.23932	5.9
562.26697	1.6
572.24890	0.8
589.27295	0.6
590.26068	2.5
607.28485	0.3
675.30811	0.6
685.29218	0.6
703.31024	2.3
774.34491	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	970.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	5.1
69.07066	18.6
71.04984	2.7
71.93212	2.1
73.02940	3.5
77.54360	1.9
79.05498	70.6
79.87211	2.2
81.03420	4.6
81.07061	70.8
83.05001	2.9
83.08637	12.2
85.02918	17.1
91.03954	12.1
91.05483	73.2
93.06482	5.1
93.07050	79.6
93.07643	4.0
93.33675	2.4
95.04962	6.1
95.08605	58.7
97.02899	10.5
97.06527	6.9
97.10155	5.7
98.21514	5.9
103.05438	4.5
105.07037	69.7
107.08600	47.9
109.06548	4.4
109.10155	22.2
117.07023	21.9
119.08589	56.0
121.10130	34.6
121.23454	2.2
121.87663	2.2
123.08044	4.2
123.11729	6.4
127.03934	4.1
128.06259	4.8
129.07021	12.3
131.08578	35.2
133.10150	48.5
135.11693	27.6
137.09563	2.7
137.13297	3.0
143.08546	12.7
145.04942	5.4
145.10126	27.3
147.11699	37.9
149.09610	2.4
149.13263	16.8
157.10149	10.8
159.11702	27.7
161.13243	21.3
163.06026	9.1
163.11183	4.0
163.14835	5.1
169.10117	3.6
171.11703	13.6
173.13274	19.9
175.14836	12.7
177.12817	3.2
179.14339	2.6
183.11714	5.0
185.13322	12.7
187.14874	8.8
199.14870	7.2
201.16415	3.5
213.16394	5.1
217.15747	2.5
231.17256	3.0
231.21112	7.7
239.17938	3.8
241.19537	28.9
243.35919	2.5
257.18970	12.3
259.20596	70.6
259.23337	3.9
261.22244	12.9
301.21652	3.3
315.23190	5.4
331.22562	3.6
333.24265	62.2
335.25806	100.0
336.26105	3.1
337.27347	3.9
367.22794	3.1
385.23538	2.8
519.41687	7.3
537.43317	3.3
541.38586	4.0
593.45758	16.7
609.44824	3.5
611.46747	98.9
612.47095	6.6
623.46710	4.8
701.47321	3.6
719.48279	3.5
737.50140	3.4
959.14960	2.3
970.56439	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	970.6105
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	6.1
69.07063	24.0
71.04974	5.0
71.52013	4.8
73.02904	7.0
77.03918	2.9
79.05495	75.6
81.03423	7.3
81.07061	80.3
83.04970	5.1
83.08605	12.6
85.02911	20.8
85.06548	6.0
91.03938	14.1
91.05486	76.0
93.07050	100.0
95.04996	6.0
95.08618	64.9
97.02886	7.8
97.06523	7.3
97.10183	6.8
105.04547	4.8
105.07037	73.7
107.08618	45.6
109.06547	8.4
109.10172	31.7
111.08079	6.0
117.07025	30.0
119.08600	56.7
121.10143	39.0
123.11709	7.2
127.03919	3.2
129.07002	12.9
130.07794	3.9
131.08577	36.9
133.10132	47.6
135.08018	4.0
135.11716	32.1
137.09581	3.3
143.08568	12.0
143.26476	3.0
145.05022	6.4
145.10109	30.7
146.31763	2.8
147.11703	42.0
149.09618	3.8
149.13277	15.2
154.67732	2.7
155.08565	5.8
157.10127	12.6
159.11691	24.1
161.13254	29.8
163.06018	8.0
163.14835	8.2
169.10129	4.3
171.11703	17.9
173.11986	2.8
173.13292	21.0
175.14857	9.4
181.10178	3.4
183.11778	6.4
185.13251	8.9
187.14815	7.9
197.13300	7.4
199.14827	5.7
201.82307	3.5
206.66920	3.0
213.16412	3.5
215.17986	3.3
223.14911	2.7
231.21031	3.5
241.19583	25.0
257.19016	12.0
259.20575	63.5
261.22183	12.5
289.21603	5.0
315.23074	5.0
333.24207	54.1
335.22061	6.4
335.25821	95.0
336.25876	4.9
337.27493	4.7
519.41925	5.3
541.38806	3.4
550.87457	4.3
577.40973	3.0
593.46051	15.1
611.46759	87.3
612.47296	4.5
692.86700	3.6
701.48291	4.1
737.50256	3.4
970.58630	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	970.116
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99766	0.5
69.03433	17.8
69.03788	0.7
70.10423	1.7
71.01332	0.8
71.04961	0.7
79.01842	0.4
79.05466	0.7
81.03421	30.9
82.50698	0.3
83.01295	1.2
85.02859	1.6
91.05471	0.5
97.02888	2.9
99.04441	1.8
100.16841	0.3
103.05405	0.8
105.03351	1.1
107.04919	1.1
109.02885	14.7
110.61406	0.3
111.04418	0.7
117.03314	1.0
117.79562	0.3
118.04146	0.4
118.06277	0.4
119.04909	0.6
127.02998	0.4
127.03922	6.3
129.03339	0.4
131.04904	0.7
133.02899	1.8
133.03685	0.3
135.04352	0.6
136.96643	0.4
137.02283	0.5
139.08582	0.3
145.02798	1.6
145.99797	0.3
147.04416	2.8
151.03979	0.6
153.01842	2.9
153.02916	0.7
157.02814	1.2
159.04306	0.4
161.02362	2.7
163.02548	0.5
163.03905	6.8
165.01826	0.7
171.00653	0.4
173.02408	2.7
175.03911	3.6
177.01811	0.7
179.03363	1.6
181.01219	0.7
185.02313	1.6
187.03920	4.0
189.01814	6.0
190.02557	0.5
191.03406	9.4
193.01271	1.4
195.03003	0.8
201.01872	5.9
202.02602	0.7
203.03391	5.2
205.01350	0.8
207.02893	7.0
213.01814	3.4
215.03372	3.3
217.01326	9.7
218.01988	1.1
219.02892	11.7
221.00797	1.9
221.04330	0.8
225.33998	0.4
229.01329	6.1
229.64482	0.4
230.02199	0.6
231.02888	18.4
232.03165	0.5
235.02374	15.8
239.01758	0.5
241.01334	3.8
243.03050	0.4
245.00818	10.6
246.92363	0.4
247.02386	13.6
248.02840	0.7
249.03925	0.6
257.00800	9.5
259.02399	34.0
260.02646	0.6
261.04041	0.5
263.01868	5.5
273.00305	9.2
274.00986	1.1
275.01883	19.2
276.02603	7.8
277.03439	98.1
278.03799	2.3
285.00323	7.2
287.01852	0.8
289.03445	0.9
291.01413	3.4
297.03833	0.5
300.99829	4.0
302.00119	0.5
303.01358	100.0
304.01648	2.8
305.02747	1.7
311.25409	0.4
315.01480	0.4
319.00858	5.9
321.02423	3.3
328.99350	0.5
331.00586	0.8
337.01907	30.3
338.02151	1.0
349.02036	0.7
355.04257	0.4
385.05789	0.6
407.02350	1.2
411.03506	0.8
429.04440	2.8
445.03934	1.7
447.05786	1.1
463.05081	10.7
481.06189	1.4
507.03815	0.5
765.05725	1.2
783.06769	73.2
784.07074	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	968.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	54.9
69.03423	6.6
69.07072	21.0
71.05006	6.9
71.82224	1.1
73.02921	2.1
79.05495	44.2
81.03421	66.9
81.07058	57.7
83.04977	10.5
83.08151	1.8
83.08624	23.3
85.02902	7.8
85.06535	4.4
91.03950	2.2
91.05488	44.7
93.07049	43.3
95.04977	29.2
95.08058	1.7
95.08612	23.9
96.82722	1.1
97.02869	5.2
97.06537	11.5
97.10167	12.8
99.04447	1.8
99.08070	2.1
104.52181	1.2
105.04483	1.7
105.07038	36.8
107.04957	13.3
107.08600	31.8
109.02865	2.8
109.06512	7.9
109.10163	17.9
111.04441	3.6
111.08072	6.6
115.05439	2.8
117.07022	14.8
119.04986	1.9
119.08585	31.7
121.06477	7.9
121.10147	20.8
123.04428	2.5
123.08072	6.2
123.11677	4.3
125.09642	12.2
127.03911	3.3
128.06184	2.2
129.07001	14.5
131.04959	1.6
131.08571	24.7
133.06470	5.4
133.10141	22.0
135.08060	5.9
135.11708	14.2
137.09624	4.7
141.06979	3.0
142.07747	3.7
143.08594	5.7
145.04926	1.5
145.06451	4.1
145.10120	15.6
147.08028	5.5
147.11688	16.6
149.09633	16.1
149.13257	7.6
151.11180	3.5
153.09074	1.5
154.07706	1.1
155.08516	4.3
157.10139	13.8
159.08046	1.5
159.11694	12.1
161.09666	2.9
161.13223	3.5
163.11191	8.6
165.12730	2.1
167.08626	1.6
169.10173	3.3
171.08044	2.1
171.11641	5.8
173.04431	1.9
173.09602	3.4
173.11757	3.1
173.13336	3.0
175.11206	10.9
177.12750	5.1
179.14317	1.6
181.10056	2.1
181.12190	2.1
183.11670	4.4
185.09677	1.4
185.13264	3.8
187.11189	2.7
187.13278	1.4
189.05455	1.3
189.11227	6.6
189.12727	2.1
191.14186	1.3
193.12260	21.1
195.11653	1.8
195.13760	2.4
197.13312	2.7
199.11256	1.8
199.14871	2.2
201.12746	2.1
205.12292	1.6
207.11887	1.2
207.13918	1.4
209.11655	1.9
209.13399	1.7
211.11313	2.2
211.13271	4.4
213.12746	1.8
215.14169	1.8
223.13243	1.4
227.12772	15.9
229.14281	7.4
229.19377	1.8
233.15382	1.6
235.13199	2.0
239.18054	1.3
249.14842	2.7
255.15924	10.1
257.19003	4.0
267.15927	74.8
269.17474	22.5
273.14697	1.6
273.18451	1.2
275.20071	20.6
276.19986	1.2
291.19540	5.3
293.21152	2.3
297.22375	1.5
299.20117	2.6
301.13962	2.1
309.16943	2.4
311.19788	1.4
315.23318	1.6
329.21210	1.2
349.19879	1.6
349.23825	21.9
351.23019	2.0
365.23148	1.7
367.24521	5.2
369.24271	4.6
387.25443	1.5
421.25827	5.8
435.27478	3.5
437.25296	3.1
443.28012	10.8
447.27512	27.9
449.30023	3.6
459.27335	2.4
461.29013	100.0
462.29340	3.3
467.31436	4.4
475.30746	1.6
477.28265	3.2
479.29791	1.9
485.32632	1.9
489.29611	1.5
493.31812	8.6
497.27496	1.2
498.44577	1.1
501.31882	1.6
503.29886	3.8
511.28851	2.3
519.33075	1.6
523.34216	3.6
527.30237	1.3
531.29034	1.7
541.35327	73.6
542.35345	3.5
557.31763	1.5
559.36304	29.1
569.30518	2.2
583.36566	2.8
587.31641	3.9
591.37915	3.7
605.32745	2.1
649.37012	2.0
667.37671	2.9
677.57507	1.2
685.39276	2.5
703.40222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	100.0
69.03436	14.0
69.07070	43.6
69.41944	7.1
69.42355	1.8
71.01371	3.1
71.04998	8.6
73.02898	7.4
75.01822	1.0
75.91780	1.3
76.47967	1.1
77.03944	1.6
79.05495	67.2
80.08418	1.1
81.03423	35.9
81.07061	71.9
82.04218	4.9
82.73452	1.3
83.01311	1.1
83.04987	19.8
83.08621	19.5
84.30815	1.1
85.02917	22.9
85.03427	1.3
85.06574	4.6
87.04512	1.2
91.03961	8.2
91.05482	70.6
93.07046	55.1
93.07634	1.7
94.04248	1.5
94.07888	1.6
95.01317	1.8
95.04974	29.9
95.05568	1.9
95.08611	44.1
96.05782	1.4
97.02891	16.6
97.06528	25.4
97.10168	24.9
98.07313	7.5
98.20786	2.2
99.04495	3.2
99.08121	3.5
101.91740	1.2
103.03951	1.4
103.05494	1.8
105.04565	3.3
105.07037	47.1
105.99181	1.2
107.04959	19.0
107.08604	36.7
107.09305	2.0
109.02905	3.1
109.06541	10.4
109.10160	48.9
111.04471	3.2
111.08086	9.3
113.06046	1.8
113.09623	1.8
115.05457	2.6
116.04733	9.3
117.07025	15.5
119.04916	1.3
119.08579	34.6
120.09344	1.3
121.06508	8.0
121.10155	18.6
123.08074	13.0
123.11722	6.0
125.09635	21.3
127.03943	6.1
127.11233	1.6
128.06203	2.4
129.05490	26.4
129.06969	11.1
130.07797	2.7
131.08568	23.0
133.06555	3.1
133.10133	33.3
133.11081	2.2
135.08060	8.3
135.11708	14.4
136.08870	1.6
137.09615	13.7
137.10428	1.4
137.13301	1.8
139.07597	2.0
139.11232	2.4
141.07050	2.4
142.07814	2.8
143.07068	5.2
143.08539	5.4
143.10643	1.9
144.09410	1.1
145.04984	2.7
145.06534	2.6
145.10130	19.7
146.10886	1.4
147.08087	4.8
147.11708	13.9
149.09634	22.5
149.10750	1.9
149.13304	4.4
151.11217	6.1
153.09145	2.8
153.12790	2.6
155.08572	2.8
155.10721	4.8
157.08655	13.2
157.10168	9.5
159.08060	1.6
159.11687	12.0
161.09647	3.7
161.13286	5.9
162.10464	1.5
162.42296	1.4
163.06070	1.6
163.11176	18.2
165.09175	2.3
165.12807	2.1
167.10739	1.5
169.10187	2.6
171.06549	3.7
171.10252	5.2
171.11726	3.7
173.04530	2.0
173.09648	2.9
173.11786	14.5
173.13312	5.4
175.11145	6.4
177.12820	3.2
179.14310	3.4
181.12315	2.1
183.11774	2.6
184.07414	1.2
185.11823	2.2
185.13309	2.1
187.11256	2.8
189.11259	8.2
189.12709	2.7
191.10643	2.4
193.12283	12.5
195.13843	2.6
199.13275	10.0
199.14886	1.5
200.14073	1.7
201.12859	2.4
201.14845	1.8
205.12300	2.3
209.11732	6.8
211.13231	9.6
223.13336	2.5
225.11142	1.7
227.12781	14.3
228.13658	1.7
229.14363	24.2
229.19463	1.5
239.18042	2.1
241.14645	1.6
243.15956	3.1
247.20683	2.1
253.14384	4.4
253.17950	1.4
255.15851	6.5
257.19150	6.1
265.57547	1.1
267.15939	12.7
269.17526	3.4
273.18488	7.9
274.19321	1.8
275.20059	26.3
275.22775	1.8
281.17578	1.4
283.15387	9.2
285.16925	7.4
291.19568	10.5
293.21106	3.1
301.16476	56.9
326.24625	1.6
349.23755	31.6
365.23462	6.0
373.18784	1.4
383.24054	3.1
397.22256	4.1
409.25693	2.1
421.25867	2.0
425.25668	1.8
439.26944	4.7
455.26367	14.3
457.25522	1.6
469.27914	2.0
479.30124	5.1
492.74249	1.2
495.29465	2.1
511.28366	2.0
523.28601	1.6
533.83093	1.3
541.35498	2.3
557.34637	3.7
558.35675	1.4
559.36304	1.6
575.35779	30.5
576.35638	1.7
591.35065	1.7
593.36926	6.5
609.36346	3.4
648.17645	1.3
686.55786	1.3
748.60498	1.3
771.03589	1.5
968.51080	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	82.3
68.05841	1.8
69.03432	10.4
69.07068	14.9
69.99590	1.3
71.01363	1.8
71.04995	8.4
71.51627	1.8
73.02898	4.4
79.05020	1.5
79.05492	48.7
81.03419	80.3
81.06590	2.6
81.07058	52.0
83.04980	22.0
83.08157	2.0
83.08622	31.1
85.02910	41.2
85.06535	5.7
86.09682	1.4
87.04435	3.6
91.03938	6.4
91.04897	3.0
91.05481	51.5
93.07047	29.8
95.04972	35.4
95.08606	19.0
97.02898	15.2
97.06522	9.4
97.10178	13.3
98.21090	1.3
99.04436	2.8
99.08092	3.3
103.03926	1.8
103.05492	1.5
105.04526	2.4
105.07030	29.6
107.04965	12.1
107.08594	16.7
109.02892	3.0
109.06522	7.2
109.10159	57.6
111.04433	6.0
111.08084	11.6
113.06025	3.3
115.05462	2.9
117.06984	6.7
119.08582	28.3
120.08962	1.4
121.06489	2.0
121.10159	14.0
123.08060	5.6
123.11690	3.8
125.09644	10.3
127.03945	4.0
128.06250	1.6
129.05478	2.1
129.06993	15.9
131.08551	17.7
133.06500	3.2
133.10120	19.2
135.08057	2.8
135.11685	5.8
137.09610	5.5
142.07770	3.0
143.08525	1.6
143.10680	2.8
145.04935	4.0
145.10123	7.0
146.93443	1.3
147.08064	7.4
147.11688	18.0
148.55171	1.4
149.09630	9.0
151.11209	2.1
153.12718	3.5
155.08527	1.7
155.10611	2.5
157.10127	17.0
161.09563	1.6
163.06110	2.6
163.11212	8.1
165.12830	3.5
173.09634	1.8
173.10103	1.7
173.11713	16.4
175.11205	18.1
180.00755	1.4
181.12245	2.6
184.07288	1.7
189.11197	1.6
191.10664	4.0
193.12247	64.8
199.13278	4.9
209.11751	6.0
209.66859	1.4
211.13298	100.0
227.12837	8.5
229.14362	47.5
255.15862	2.4
267.15915	36.4
283.15463	8.1
285.16965	66.7
301.16577	13.7
315.10931	1.3
399.23785	13.2
401.23398	1.6
409.25897	3.8
421.25858	15.6
423.27136	1.6
427.26874	3.1
439.26953	59.7
459.27451	2.6
475.26517	2.2
477.28278	2.9
493.27988	9.8
511.28946	14.5
529.29901	4.3
591.35669	2.2
609.36340	56.9
610.36096	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	966.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	24.0
69.03439	6.3
69.06687	0.8
69.07071	15.5
71.01353	0.7
71.04998	2.5
71.51505	1.3
73.02889	0.9
79.05499	23.4
81.03421	50.5
81.07059	22.3
83.04986	6.9
83.08621	15.0
85.02893	2.6
85.06541	2.0
91.03950	1.0
91.05487	23.2
93.07049	18.6
93.27859	0.8
94.07404	0.6
95.01376	0.8
95.04974	18.8
95.08607	9.9
97.02892	9.9
97.06519	3.9
97.10161	9.5
99.04444	1.3
99.08087	1.1
105.04525	1.0
105.07039	19.3
107.04958	9.4
107.08599	14.2
109.02891	1.1
109.06533	4.8
109.10167	10.7
111.04461	1.5
111.08094	3.6
113.05994	1.9
115.05443	1.6
117.07039	4.2
119.04940	0.7
119.08582	16.0
119.09372	1.2
121.06527	5.0
121.10149	8.7
123.04415	0.8
123.08047	4.4
123.11723	1.4
125.09660	7.3
128.06223	1.6
129.07007	8.0
131.08574	9.7
133.06482	5.8
133.10138	10.0
134.07201	1.1
135.08057	3.9
135.11711	2.8
137.09636	3.2
142.07829	1.9
143.08597	3.7
144.09343	0.8
145.06517	1.7
145.10135	5.5
147.08031	6.1
147.11710	5.4
149.09631	4.9
149.13254	1.3
151.11182	3.1
153.09074	1.2
155.08592	1.2
157.10117	7.8
159.08035	1.3
159.11711	2.0
161.09654	2.3
161.13341	0.8
162.18196	0.8
163.11177	4.2
165.12778	1.4
169.12291	0.9
171.07956	0.8
171.10257	0.8
171.11667	2.0
173.09645	1.1
173.11838	0.9
175.11188	6.6
177.12772	0.8
177.53510	0.7
184.07272	0.8
185.13283	1.1
187.11165	1.4
189.11209	4.7
189.12749	1.1
191.10646	0.9
193.12245	10.1
195.11772	0.9
195.13843	0.9
201.12653	1.1
203.14352	0.9
205.12286	2.0
209.11737	1.0
211.13338	1.1
219.13844	3.0
223.13293	15.1
227.12749	5.9
229.14462	1.4
245.19058	1.2
249.14944	3.3
249.92015	0.8
253.14380	5.2
255.17668	1.1
267.15933	59.2
268.16119	0.9
273.15506	1.2
273.18509	9.5
277.09518	0.8
283.15366	1.5
287.20068	1.4
291.19562	57.4
292.19940	2.1
313.21735	3.2
319.15656	0.7
347.22189	2.0
365.23257	34.3
366.23709	1.2
385.23996	1.3
389.23196	0.8
419.23917	0.7
437.25510	1.3
445.25800	5.5
459.27490	6.9
463.27063	2.3
465.30130	1.4
477.28244	3.6
483.31372	1.8
529.35297	1.0
539.33746	9.4
557.34778	100.0
558.35388	4.7
575.35986	2.6
589.36951	1.7
599.35425	2.0
607.33624	0.9
665.37091	1.2
683.37628	1.0
738.55359	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	40.8
69.03431	7.5
69.07072	24.3
70.76284	1.3
71.04986	3.2
71.08636	24.7
73.02914	3.1
74.08292	0.7
79.05494	29.7
81.03423	9.8
81.07059	57.2
83.04989	9.0
83.08620	15.4
85.02905	9.0
85.06547	3.5
85.10185	15.1
89.06031	1.7
90.12154	0.7
91.03946	3.8
91.05484	24.4
93.07050	32.7
95.04982	6.9
95.08611	36.5
96.08960	0.7
97.02891	7.1
97.06539	10.8
97.10170	7.5
99.04465	1.4
99.08102	3.3
103.05434	1.4
105.04536	0.8
105.07038	21.7
107.04957	5.8
107.08598	19.5
109.02895	1.6
109.06549	4.1
109.10166	14.2
111.04432	1.8
111.08075	3.4
111.11705	0.9
115.00572	0.7
115.05403	1.3
117.07024	10.0
119.08580	13.8
121.06483	3.8
121.10161	9.1
123.08058	3.0
123.11714	5.4
125.09654	2.8
127.03926	4.7
128.06221	1.2
129.05490	1.6
129.07027	2.7
131.08571	11.5
132.59555	0.7
133.06532	1.1
133.10147	13.6
135.08099	3.6
135.11710	10.3
137.09650	2.7
137.13239	1.6
141.07002	1.6
143.08600	2.8
145.05013	2.8
145.10130	8.7
147.08090	0.7
147.11699	7.1
149.09639	10.1
149.13260	9.5
151.11209	1.8
155.08556	2.0
156.09233	0.9
157.10176	2.7
159.11693	8.4
161.09621	1.0
161.13272	2.8
163.05986	1.8
163.11174	5.7
165.12724	0.9
169.10150	2.1
171.11711	3.0
173.04485	2.8
173.13271	3.8
177.12775	2.8
179.14343	1.6
181.12276	1.0
183.11763	1.8
185.13313	1.0
187.11188	0.8
189.11214	0.9
189.12788	0.7
193.12314	0.9
195.13788	4.2
197.13158	0.9
199.11139	0.8
213.14824	0.8
217.25058	0.8
219.13844	1.5
227.12711	3.9
229.19536	1.9
233.15410	0.9
237.35733	0.9
239.17976	1.6
239.23674	4.0
247.20584	1.8
251.16524	1.0
255.15907	13.9
257.19022	6.9
257.24783	1.5
267.15845	2.3
269.17499	35.4
273.56894	0.8
275.20074	25.5
291.19617	1.0
293.17807	1.5
293.21207	2.5
303.16071	1.3
309.20477	1.3
313.27374	93.7
314.27686	1.7
331.22638	2.2
339.18069	2.1
349.23752	26.5
350.24075	1.0
367.24823	3.8
413.21704	3.4
419.24445	1.0
467.37332	2.6
493.27875	1.5
493.38870	22.7
507.40494	100.0
508.40552	3.5
531.40717	1.0
547.43536	3.2
573.41846	1.0
587.46722	38.2
588.47418	1.6
605.47778	12.5
606.48016	1.1
627.40845	0.9
629.48126	0.9
638.55292	0.8
651.44653	3.7
731.50623	1.2
749.51624	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	963.6014
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.3
69.03431	3.2
69.07092	1.1
71.05010	0.5
71.51594	0.5
73.02934	2.9
76.75567	0.5
79.05495	2.0
81.03431	1.5
81.07072	2.0
83.08644	1.3
83.89300	0.4
85.02911	4.8
88.04578	0.4
89.59341	0.5
91.03959	3.4
91.05502	1.3
93.07063	2.0
95.08629	1.9
95.55418	0.5
97.02898	4.9
97.10193	0.7
99.04480	1.1
101.01707	0.4
101.02395	2.0
109.02911	0.5
109.10188	1.0
113.37800	0.4
121.10196	0.8
122.19101	0.4
127.03945	1.6
145.22165	0.5
185.04269	0.7
196.69730	0.4
203.05434	0.9
243.08388	2.3
273.97330	0.5
290.22110	0.5
291.92844	0.5
339.28909	0.7
347.09622	2.9
365.10794	1.3
405.13712	4.7
519.29260	4.2
523.32184	2.9
681.34619	5.5
685.37872	2.9
801.55176	0.8
963.60211	100.0
964.60284	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	962.6051
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04809	1.6
67.05195	4.0
67.05512	17.4
67.24694	0.8
69.03429	6.3
69.07072	17.7
69.15957	6.7
69.16367	1.5
71.05001	1.1
71.08639	16.3
73.02937	1.5
79.05064	1.1
79.05499	12.9
81.03414	3.2
81.07065	18.0
82.38654	0.7
83.04986	3.0
83.08632	10.1
85.02908	2.9
85.06551	0.8
85.10191	8.4
89.06033	1.8
91.03951	1.8
91.05485	9.9
93.07058	10.0
95.01313	0.7
95.04987	6.5
95.08615	17.5
97.02904	8.8
97.06535	2.0
97.10173	10.8
105.07040	6.5
107.04958	3.5
107.08583	6.6
109.02929	1.0
109.06532	2.3
109.10170	9.5
111.04459	0.8
111.08113	1.9
117.07033	4.0
119.08587	6.7
121.06507	2.5
121.10136	3.4
123.08065	2.0
123.11712	1.8
125.09621	6.0
127.03959	1.3
129.07031	1.4
131.08556	4.4
133.06525	2.5
133.10092	3.5
135.08087	2.5
135.11710	1.5
137.09630	1.2
143.08591	2.7
145.04991	0.8
145.10112	3.3
147.08015	4.2
147.11696	1.2
149.09612	1.1
149.13303	1.1
151.11131	0.9
157.06563	0.8
157.10130	1.8
159.11665	1.7
161.09645	1.3
161.13344	0.7
163.11221	0.8
165.09174	1.1
171.11684	1.1
175.11208	1.0
187.11308	0.8
189.11229	2.1
193.12289	0.8
202.15924	4.2
205.12244	1.9
211.13312	1.1
223.13301	12.8
224.13741	0.8
227.12854	2.7
239.23787	1.4
245.19000	0.9
249.14989	2.3
253.14420	0.9
257.24838	1.2
273.18503	10.0
291.19568	62.8
292.19678	0.9
300.13644	3.7
313.27390	71.0
314.27768	0.9
327.06540	0.7
342.96066	0.8
347.22321	2.9
365.23260	35.1
483.36694	0.9
505.39008	1.4
523.40186	4.7
545.42468	0.9
585.45300	3.1
590.76672	0.8
603.46252	100.0
604.46405	4.6
734.56146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5703
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	3.2
69.03434	3.3
69.07078	0.9
71.01365	0.6
71.52699	0.6
73.02915	3.5
74.30910	0.6
79.05514	1.9
79.07002	0.4
81.03425	1.3
81.07060	3.1
85.02909	4.8
91.03967	3.2
91.05491	1.7
93.07075	2.2
95.08642	1.5
97.02893	4.6
99.04461	0.6
101.02402	1.8
107.08625	1.4
109.10177	0.8
115.29613	0.5
115.85931	0.5
119.08601	0.5
121.10151	0.6
127.03943	1.6
132.33737	0.5
140.52432	0.5
145.05046	0.5
185.04294	0.7
243.08569	2.1
347.09708	2.1
365.10727	0.9
405.13593	3.9
519.29285	6.0
681.34637	8.6
959.57001	100.0
960.57050	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	962.6043
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05195	4.1
67.05510	32.4
69.03433	2.5
69.07082	8.8
71.04994	3.8
71.08634	9.0
72.46370	1.3
73.02920	2.1
79.05497	16.3
80.45519	1.6
81.03417	3.1
81.06596	2.0
81.07056	35.0
83.04971	6.8
83.08627	8.6
85.02886	6.2
85.06546	3.5
85.10180	7.5
86.33662	1.6
86.71819	1.4
91.03957	2.4
91.05482	30.6
93.07043	19.7
95.04955	5.6
95.08615	18.0
97.02869	2.7
97.06519	2.9
97.10155	3.7
105.04488	2.1
105.07040	22.5
107.04922	3.7
107.08592	17.2
109.06511	5.8
109.09470	2.6
109.10162	35.3
113.05944	2.3
117.07016	5.0
119.08595	8.8
121.06522	3.6
121.10137	2.3
121.58999	1.4
123.08060	1.7
123.11703	9.0
127.07594	2.4
131.08566	6.1
133.06468	3.9
133.10132	38.6
135.08035	4.8
135.11703	2.8
137.09550	1.4
143.08597	2.7
145.10104	5.2
149.09618	2.4
151.11168	22.9
157.10110	2.3
161.09653	2.3
163.11261	1.7
169.12285	2.8
175.11174	2.1
177.08966	2.8
189.12715	1.8
214.65642	1.7
215.12784	2.3
223.13370	1.5
230.30266	1.5
245.19054	2.6
251.12694	3.2
253.14362	100.0
263.20041	3.0
273.18484	17.5
291.16553	2.1
291.19559	21.2
302.69397	1.7
313.27365	48.6
341.26978	2.3
347.22043	8.7
365.23300	34.1
399.78827	1.8
439.60083	1.5
507.36713	2.7
509.38321	16.6
585.44775	6.4
603.46240	98.8
604.46173	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	962.6052
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04761	1.2
67.05176	5.6
67.05466	19.4
69.03096	0.5
69.03421	6.4
69.07072	18.0
69.28799	3.4
69.29208	1.2
71.04971	1.1
71.08634	15.1
73.02898	0.9
75.04420	0.5
79.05494	13.1
79.47816	0.4
81.03421	4.8
81.07057	19.7
83.04971	2.7
83.08172	0.8
83.08617	11.3
85.02915	4.3
85.06530	0.8
85.10187	9.0
89.06001	1.0
91.03961	2.9
91.05486	11.1
93.07042	11.1
95.04957	5.4
95.08607	17.0
97.02898	9.2
97.06490	1.6
97.10168	11.1
103.07565	1.2
105.04498	0.7
105.06421	0.6
105.07036	8.4
107.04974	5.1
107.08606	8.8
108.05737	0.6
109.02842	0.7
109.06494	2.2
109.09470	0.7
109.10156	10.1
111.08047	1.5
115.05447	0.9
117.07038	4.5
119.04893	1.0
119.07790	0.8
119.08586	8.3
121.06476	2.3
121.10140	4.1
123.08039	2.6
123.11716	2.5
125.08943	0.5
125.09639	6.3
127.03920	1.1
128.06223	0.8
129.05432	0.6
129.06966	2.3
131.08577	5.2
133.06448	1.8
133.10175	3.3
134.07208	1.1
135.08040	2.4
135.11655	2.4
137.09604	1.4
137.13245	0.7
143.08578	2.5
145.04913	0.6
145.10144	3.6
147.08049	4.8
147.11650	1.6
149.09579	1.3
149.13239	1.4
151.11130	0.6
153.09068	0.6
157.10101	1.5
159.08022	0.9
159.11627	1.8
161.09570	2.0
162.10432	1.1
163.05930	0.6
163.11160	0.9
165.09029	1.2
171.10184	0.6
171.11673	1.1
175.11143	1.9
177.12700	0.9
179.10675	0.6
181.10106	0.7
185.13338	0.6
188.33316	0.6
189.11212	3.3
193.12265	1.5
195.13680	0.9
202.15897	2.7
205.12160	1.1
211.13324	0.9
223.13283	15.7
227.12756	4.2
227.17889	0.9
239.23682	1.7
245.18945	1.7
249.14972	2.7
253.14262	1.3
255.17412	0.8
255.84758	0.5
257.24689	1.5
263.20142	0.7
264.91562	0.5
267.15982	1.0
273.18488	11.9
291.19550	86.1
292.19861	2.0
300.13535	3.3
309.20593	1.0
313.27368	74.0
314.27704	1.7
346.30139	0.5
347.22125	2.8
365.23233	63.7
366.23666	1.1
483.36639	0.6
505.38892	1.9
509.38470	0.5
523.39984	5.1
535.39813	0.7
569.11700	0.5
585.45215	2.4
603.46198	100.0
604.46570	5.5
621.47687	0.7
765.51117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.6469
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	59.8
69.03426	3.1
69.06733	2.5
69.07077	37.4
69.21311	11.7
69.21712	3.4
71.04984	3.1
71.08619	4.4
73.02903	4.3
79.05499	35.2
81.07060	67.7
83.05005	2.4
83.08626	27.1
85.02513	1.9
85.02915	22.3
85.06535	3.8
85.10174	2.3
86.22250	1.5
91.03963	15.6
91.05483	18.3
92.64211	1.5
93.07051	51.0
95.04986	3.0
95.08614	59.0
97.02906	11.4
97.06513	4.4
97.10191	15.2
99.08091	2.2
100.86414	1.6
102.43767	1.6
105.04564	1.7
105.07035	11.1
106.07494	1.6
107.08590	23.4
109.10172	27.3
111.08053	3.1
111.11730	3.3
115.03951	1.5
117.07030	5.8
119.08606	9.4
121.10149	28.1
123.08064	1.8
123.11726	11.6
125.09595	2.2
127.03933	6.2
131.08592	10.1
133.10139	6.7
135.11700	18.1
137.13210	3.8
139.11223	1.7
145.04967	7.3
145.10103	5.9
147.11708	5.1
149.13255	12.1
159.11720	7.4
161.13272	5.7
163.06046	8.2
163.14830	5.1
173.13272	6.9
175.14778	1.8
177.16376	3.2
187.14827	3.2
233.84528	1.5
236.36478	1.5
243.20995	8.8
247.24290	2.5
261.22159	35.1
265.25241	4.7
273.95459	1.7
313.27451	4.2
317.24750	7.4
335.25839	97.0
337.27298	7.9
339.28955	100.0
340.29285	2.9
353.26913	2.2
502.05203	1.7
523.91577	1.7
525.46704	2.3
573.48584	1.9
599.50360	49.3
600.50476	3.3
617.51398	23.0
622.91785	1.6
959.57202	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	958.152
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99795	0.1
69.03422	0.2
70.97234	0.1
70.97565	0.1
73.06332	0.1
78.82490	0.1
79.01857	5.5
81.03407	0.5
83.05009	0.1
87.00823	0.2
97.02898	1.2
107.01319	1.1
109.02892	1.0
123.00796	0.2
125.02351	2.7
127.02972	0.1
127.03923	2.8
131.04906	0.2
143.03406	5.9
153.01837	100.0
153.02873	5.8
154.02153	1.1
154.03320	0.1
159.04416	0.4
163.03944	0.1
171.04492	0.1
177.05482	0.2
181.01373	0.2
183.02861	0.1
187.03882	0.1
189.05348	0.1
205.04958	0.6
215.03416	0.2
217.04968	0.3
222.56577	0.1
230.28528	0.1
233.04462	1.5
243.02907	0.3
261.03970	2.2
279.05011	3.6
280.05276	0.1
305.02924	2.4
431.06174	0.4
449.07095	0.3
501.83502	0.1
619.09412	0.1
771.10406	1.7
772.12054	0.1
894.65045	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	958.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99796	0.1
69.03426	0.3
71.51286	0.1
79.01858	5.2
81.03428	0.6
82.66788	0.1
87.00853	0.1
97.02894	1.0
107.01318	1.1
109.02885	1.0
112.54198	0.1
123.00797	0.3
125.02357	2.5
127.03932	2.9
131.04929	0.1
143.03404	5.6
147.90692	0.1
153.01836	100.0
153.02858	5.1
154.02158	0.9
159.04420	0.4
163.03853	0.2
177.05470	0.2
181.01320	0.2
183.02792	0.1
187.03827	0.2
191.03410	0.1
197.00804	0.1
205.04941	0.7
207.02769	0.1
210.91824	0.1
215.03316	0.2
217.04947	0.4
221.00887	0.3
233.04468	1.8
237.04112	0.1
243.02898	0.2
261.03964	2.7
264.10391	0.1
277.03604	0.1
279.05011	4.1
289.06891	0.1
303.01407	0.2
304.01602	0.1
305.02908	2.7
306.03369	0.1
311.39304	0.1
382.83856	0.1
431.06094	0.5
449.07248	0.5
501.98343	0.1
525.84540	0.1
619.09424	0.2
683.53345	0.1
727.33813	0.1
771.10400	2.6
772.09796	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	956.6307
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	100.0
69.06734	2.6
69.07072	34.3
71.04994	2.3
71.08634	4.2
71.52007	2.0
73.02901	6.1
77.03918	2.8
79.05080	3.8
79.05499	48.7
81.03397	4.8
81.07062	99.8
83.04985	2.1
83.08224	2.0
83.08630	19.7
85.02908	22.9
85.06556	3.1
90.58582	1.8
91.03973	16.8
91.04982	2.6
91.05496	32.9
93.06491	3.4
93.07050	58.0
95.04949	5.7
95.08613	79.6
96.04488	2.6
97.02903	10.2
97.06567	3.7
97.10184	12.4
99.04426	3.2
99.08040	2.6
105.07048	20.4
106.56363	2.0
107.07982	2.9
107.08611	36.2
109.09470	3.4
109.10162	43.8
111.08074	4.0
115.03858	2.1
117.01435	1.9
117.07016	5.7
119.08588	23.8
121.10149	27.8
123.08058	2.3
123.11689	12.7
127.03905	6.9
131.08546	12.6
133.10135	19.9
135.11707	23.2
137.13261	2.8
143.08530	3.6
145.04955	8.8
145.10114	9.3
147.11685	15.5
149.13229	9.2
159.11684	8.5
161.13254	8.9
163.06024	8.8
163.14780	8.9
173.13260	5.7
175.14783	6.4
187.14838	5.0
189.16319	2.3
231.20892	2.2
241.19658	2.1
243.21088	7.7
245.22650	3.2
259.20593	6.3
261.22128	24.8
263.23682	5.1
315.77393	2.2
317.24872	4.5
333.24246	6.7
335.25827	78.2
336.26306	3.8
337.27396	92.3
339.28833	8.2
401.70114	2.0
443.63214	2.0
510.27649	2.2
523.44769	3.4
541.45819	3.2
597.48834	39.5
615.49890	45.1
616.50452	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	954.6156
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	56.7
69.03436	3.2
69.07073	12.4
69.24186	2.0
69.24611	4.2
71.04992	2.1
71.08624	0.9
73.02914	5.8
79.05496	35.7
81.03450	1.5
81.07061	55.3
83.05000	1.9
83.08636	5.4
85.02909	14.9
85.06535	1.8
91.03961	10.1
91.05490	23.6
91.06026	0.6
93.07050	44.5
95.04964	2.6
95.08612	48.0
97.02905	8.0
97.06544	2.3
97.10165	3.1
98.26508	0.6
99.08119	1.5
101.42449	0.6
105.04522	1.9
105.07039	21.1
107.08603	24.3
109.06519	1.1
109.10165	20.7
111.08081	1.8
111.11726	1.1
113.09687	0.7
117.07026	7.1
119.07812	1.2
119.08595	15.8
121.10148	21.4
123.08081	1.6
123.11715	7.8
125.09607	1.0
127.03904	4.5
128.06187	0.6
129.07007	2.0
131.08582	13.3
132.72481	0.7
133.10144	13.9
135.11702	15.0
137.09644	1.3
137.13290	3.6
143.08540	2.3
145.04965	6.1
145.10135	9.9
147.11699	12.1
149.13275	9.3
151.14806	1.4
155.08530	0.7
157.10136	2.7
159.11702	10.5
161.13277	8.6
163.06046	7.3
163.11310	0.9
163.14854	4.3
171.11743	2.9
173.13286	8.9
175.14845	3.5
177.12772	0.6
177.16393	2.5
183.11661	0.7
185.13257	2.1
187.14816	3.6
189.16438	1.9
199.14825	2.0
201.16415	2.0
203.18108	0.8
213.16479	0.9
215.17932	0.8
217.19472	0.8
219.17421	1.0
231.17508	0.8
231.21037	0.8
233.19031	1.1
239.18172	0.7
241.19740	3.2
243.21074	6.0
245.22836	1.2
259.20609	9.7
261.22168	20.4
263.23721	1.4
273.22186	0.8
275.20197	1.1
279.23328	1.4
287.23819	0.8
291.23090	1.0
293.21106	0.6
299.23773	1.3
315.23196	1.4
317.24783	3.6
333.24213	7.4
335.25824	100.0
336.26141	2.3
337.23801	0.7
337.27368	12.8
521.43591	2.9
543.40021	0.9
595.38525	1.3
595.47235	14.7
613.48297	22.8
730.60236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	100.0
69.03424	7.3
69.07069	16.2
71.01367	1.2
71.05001	12.5
71.51192	1.8
73.02924	4.2
79.05497	55.0
81.03428	10.1
81.07058	60.4
83.04964	6.8
83.08619	19.1
85.02907	14.1
85.06568	4.0
87.04470	35.0
91.03966	6.4
91.05479	28.9
91.06017	1.7
93.07048	47.5
93.07634	2.5
94.96629	1.0
95.04970	7.5
95.08608	44.9
96.04530	1.0
97.02882	9.1
97.06529	5.3
97.10166	20.1
99.04462	18.0
99.05103	1.3
99.08121	1.4
105.04529	2.2
105.07030	17.7
107.04994	3.8
107.08594	30.5
109.06556	2.7
109.10162	60.7
111.04469	3.3
111.08087	4.5
113.05996	1.3
113.09603	1.2
115.03984	2.6
115.05513	1.4
117.05484	1.0
117.07021	9.3
119.08591	19.0
121.06536	2.2
121.10142	24.2
123.08116	3.5
123.11723	4.9
125.09645	20.0
127.03976	3.5
129.05489	1.6
129.07028	2.7
131.08582	12.6
133.10150	10.2
135.08104	1.6
135.11693	14.9
137.09639	4.6
137.13390	1.0
139.11212	1.4
143.08598	2.7
143.10699	2.0
145.04994	2.9
145.10136	11.8
147.08156	1.5
147.11705	10.0
149.09627	2.3
149.13191	6.3
153.12827	2.2
155.08710	1.3
155.10686	4.7
157.10172	4.6
157.12347	1.7
159.11667	7.1
161.13293	4.5
163.06097	2.0
163.11134	6.9
163.14886	2.2
165.12733	1.4
169.10155	1.3
171.10284	1.4
171.11676	2.1
173.08269	1.2
173.09662	2.4
173.11780	14.9
173.13326	6.3
175.11191	1.4
175.14879	2.8
181.12239	1.8
183.11789	1.3
185.13271	2.3
187.14862	2.5
189.11243	2.3
191.10800	2.9
193.12308	3.3
194.45868	1.3
199.13245	8.8
201.16338	1.9
209.11674	1.4
211.13330	2.3
217.14386	2.3
223.13269	1.8
225.14905	2.0
227.12779	10.7
229.14365	43.7
241.14322	5.4
241.19554	1.9
243.21115	5.7
257.13947	2.2
259.20624	1.6
261.22211	14.4
267.15930	10.6
271.20630	1.8
277.21738	1.3
283.15503	1.4
289.21518	2.6
299.23700	1.8
309.22470	1.2
315.18024	10.7
317.24841	4.2
327.22751	1.3
333.19141	2.9
333.24048	1.7
335.25818	59.1
335.29877	3.1
336.26154	2.2
363.25546	6.8
371.25781	1.2
451.32037	2.2
477.35727	17.6
489.35764	50.8
490.36081	2.7
517.35431	1.6
534.30188	1.2
543.37085	6.1
561.37952	3.0
575.39404	4.6
593.40375	3.4
633.40344	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.547
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	100.0
69.03445	6.1
69.06721	1.5
69.07069	14.3
69.97962	0.8
70.06588	2.1
71.01358	1.3
71.04996	8.9
71.51314	0.9
73.02917	2.7
76.46980	1.0
77.79675	0.8
79.05496	38.4
81.03417	9.8
81.07061	47.5
83.04979	4.0
83.08620	14.0
85.02909	9.9
85.06543	4.9
87.04473	46.1
91.03969	6.3
91.05486	25.5
91.05912	0.5
93.07048	39.2
95.04970	5.3
95.08611	39.6
97.02894	7.9
97.06542	5.1
97.10181	11.2
99.04453	9.6
99.08120	1.2
105.04472	1.1
105.07036	14.7
107.04951	2.7
107.08599	20.6
109.02879	1.5
109.06509	2.0
109.10160	64.4
110.10500	1.8
111.04459	2.1
111.08053	4.0
115.03948	1.7
116.07085	1.2
117.07014	7.3
119.08585	15.7
121.06467	1.4
121.10149	19.7
123.08079	1.3
123.11726	4.5
125.06009	1.1
125.09621	8.4
127.03921	3.4
129.07025	3.4
131.08582	11.4
133.10136	11.2
135.08055	1.4
135.11710	11.3
137.09648	3.9
137.13239	1.2
139.11188	1.3
143.08568	2.3
143.10699	1.0
145.04976	2.1
145.10129	10.1
147.11674	6.9
149.09641	2.1
149.13252	5.9
151.11235	1.1
155.10652	5.7
157.10161	2.5
159.11691	6.9
161.13281	4.7
163.06012	2.5
163.08836	0.8
163.11214	4.3
163.14798	1.6
165.12808	0.9
171.11702	2.0
173.09543	1.3
173.11760	19.2
173.13287	4.4
175.11188	1.6
175.14931	1.6
177.12704	1.0
181.12312	1.7
185.13249	1.2
187.14835	1.9
189.11195	2.2
191.10677	1.2
193.12265	3.5
195.11620	1.0
199.13303	5.3
199.14880	1.2
203.14378	1.1
211.13257	1.6
213.16588	1.0
217.14282	2.0
223.13297	1.1
227.12817	4.9
229.14354	54.5
230.14702	0.9
241.14294	2.2
241.19574	1.0
243.21091	4.4
257.13800	3.7
259.15381	1.4
259.20721	2.9
261.22134	13.9
267.15891	8.9
271.20465	1.1
275.20203	1.0
277.21643	2.1
283.15601	1.0
289.21707	2.8
299.23615	1.1
315.18060	5.7
315.23203	1.7
317.24683	2.4
327.23184	1.6
331.22696	1.2
333.24039	2.2
335.25803	52.0
336.26187	2.3
349.24194	1.1
351.25409	1.4
363.25360	4.7
459.34763	1.0
469.33203	0.9
477.35785	8.1
487.34509	1.0
489.35745	67.8
490.36130	3.1
514.14014	1.1
517.35199	3.6
525.35608	2.4
527.36884	1.0
543.36841	4.6
561.37677	2.0
575.39404	3.4
593.40186	1.5
626.87085	1.0
708.67371	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5476
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	100.0
69.03429	6.7
69.07068	15.3
71.04993	14.9
71.51306	1.2
72.20898	1.2
73.02920	3.4
79.05495	61.6
81.03427	10.3
81.07058	64.1
83.04973	6.7
83.08620	20.2
84.08936	1.4
85.02907	16.0
85.06543	3.9
87.04467	27.7
88.79752	1.1
91.03953	4.0
91.05483	31.7
93.07043	48.6
95.04964	9.9
95.08611	41.7
96.04492	1.1
96.80390	1.1
97.02881	8.5
97.06510	6.1
97.10171	21.7
99.04455	17.8
99.08080	2.0
105.04516	1.7
105.07034	20.0
107.04974	4.5
107.08597	33.4
109.02842	1.1
109.06498	3.1
109.10157	52.4
111.04442	3.5
111.08091	3.6
115.03929	1.6
117.07024	10.8
119.08591	17.5
121.06511	2.0
121.10149	22.5
123.08093	2.1
123.11678	5.4
125.09631	17.8
127.03941	3.8
128.06256	1.4
129.07002	3.8
131.08560	15.1
133.10127	12.4
135.08102	2.0
135.11693	17.1
137.09608	3.4
137.13248	1.7
138.89977	1.3
143.08583	3.7
143.10672	3.2
145.04965	1.7
145.10126	12.2
147.08002	2.0
147.11690	9.1
149.09602	3.6
149.13292	6.3
151.11197	1.1
155.08510	1.2
157.10114	3.1
159.11710	7.1
160.11201	1.4
161.09668	1.7
161.13312	5.2
163.05988	2.1
163.11156	6.5
163.14816	2.5
169.10081	2.1
171.11703	2.7
173.09630	2.0
173.10330	1.3
173.11736	12.6
173.13269	7.4
175.11183	2.0
175.14828	2.5
181.12245	2.1
182.02603	1.0
184.07326	2.5
185.13321	2.9
187.14864	2.4
191.10704	3.1
193.12245	4.7
197.13298	1.6
199.13281	12.6
199.14854	2.0
209.11755	3.0
211.11256	1.2
211.13196	2.6
211.14990	1.9
213.16412	1.3
217.14316	2.3
223.13257	1.7
227.12711	9.3
229.14371	36.4
241.14357	5.0
243.21072	4.3
254.66191	1.0
257.13834	3.0
259.15457	1.4
259.20511	3.8
261.22211	14.7
267.15906	9.4
277.21729	1.9
279.00644	1.2
283.15378	2.3
299.23709	1.3
315.18073	15.5
317.24734	2.7
333.19022	2.5
333.24384	1.2
335.25806	73.2
336.26334	2.7
363.25214	4.5
459.34174	2.7
477.35797	30.0
489.35803	40.7
490.35883	2.5
525.35791	2.0
527.37573	1.8
543.37140	6.8
561.37585	3.7
571.81549	1.5
575.39545	6.2
593.40314	6.3
888.14264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	100.0
69.03433	14.3
69.07069	44.0
71.01361	1.6
71.05000	11.6
73.02914	5.5
77.03946	2.3
79.05495	69.0
81.02934	2.4
81.03419	75.5
81.07060	80.4
83.04984	25.4
83.08622	34.1
85.02908	37.8
85.06541	3.6
86.20480	1.6
87.04446	1.9
91.03962	7.5
91.05481	91.2
93.07046	61.1
95.04972	40.7
95.08605	50.8
97.02892	16.8
97.06532	23.0
97.10184	15.2
98.20782	2.8
99.04469	2.5
99.08067	2.1
100.29794	1.7
103.05471	3.3
105.04536	2.4
105.07030	58.3
107.04957	21.8
107.08592	34.4
109.02889	3.6
109.06527	9.9
109.10159	35.8
111.04461	5.7
111.08096	17.3
113.06003	2.6
115.05460	3.1
116.04726	1.9
117.07023	17.0
119.04938	2.1
119.06111	1.7
119.08577	43.2
121.06517	6.7
121.10143	26.3
123.08092	10.5
123.11700	4.6
125.09623	14.0
125.53188	1.5
127.03920	5.7
127.07551	1.8
128.06224	2.4
129.05498	8.8
129.07007	18.9
131.08571	32.1
133.06554	7.2
133.10129	33.1
133.11104	2.4
135.08112	8.0
135.11699	13.5
137.09616	15.5
139.11186	2.1
141.06992	2.6
142.07762	3.3
143.06998	2.0
143.08566	5.3
145.04942	3.5
145.06563	2.1
145.10121	20.5
147.08054	5.8
147.11693	29.9
149.09633	27.1
149.13237	4.8
151.11205	4.5
155.08600	3.9
155.10638	3.7
157.08734	3.5
157.10107	21.4
159.11696	11.3
161.09605	4.0
161.13246	5.9
163.06055	2.3
163.11177	15.8
165.09088	2.7
165.12778	5.8
169.10095	2.0
171.10371	2.5
171.11722	5.6
173.09656	2.7
173.11729	7.6
173.13254	4.4
175.11180	21.8
175.14874	1.7
177.12764	3.2
179.14285	3.3
181.12143	1.5
183.11690	3.5
185.13219	2.7
187.11191	2.3
189.11263	5.4
189.12758	1.8
193.10425	2.9
193.12244	60.0
195.13750	1.5
199.13304	3.2
205.12270	1.8
209.11688	2.5
211.13292	65.3
215.14275	1.6
217.12201	1.7
223.13229	3.1
227.12813	12.1
229.14334	15.0
229.19626	1.9
239.18013	2.1
249.14673	1.6
253.14297	3.4
253.18004	2.9
255.15826	3.5
257.19064	8.5
267.15900	33.2
269.17477	5.9
273.18524	5.3
275.17694	0.8
275.20059	39.3
283.15436	4.1
285.16968	49.8
291.19537	9.0
293.21140	3.7
301.16565	10.9
331.22589	2.2
349.23743	42.9
363.21680	3.2
365.23114	3.7
381.22632	5.8
421.25729	5.7
423.27567	3.6
435.27426	3.0
439.26981	30.4
445.29767	2.0
447.27386	2.8
453.28421	2.8
461.29092	3.2
463.30374	4.5
477.28513	2.4
479.30099	4.7
495.29691	6.4
507.29361	2.7
523.33600	1.9
541.35352	18.8
557.34735	3.6
559.36261	44.1
560.36035	2.6
575.35986	13.2
577.37213	4.7
593.36835	2.2
606.37610	1.5
780.05402	1.9
904.39069	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	950.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	100.0
69.03441	18.6
69.07073	55.2
71.01348	3.7
71.05000	12.2
73.02912	9.1
77.03937	1.8
79.05498	90.3
81.03426	39.8
81.07063	79.8
82.04214	2.1
83.01355	11.0
83.04985	28.2
83.08625	27.4
84.04458	1.6
85.02911	28.7
85.06541	6.7
91.03960	8.8
91.05487	82.2
93.07048	78.6
94.04183	1.7
95.01280	1.6
95.04971	29.2
95.08611	53.0
96.04454	1.7
97.02888	24.6
97.06537	21.0
97.10174	19.9
98.07358	1.9
99.04460	5.6
99.08095	3.2
101.02361	1.9
103.05476	3.3
105.04510	4.5
105.07040	57.9
107.04961	29.6
107.08602	51.9
109.02879	2.3
109.06529	15.9
109.10165	41.2
111.04439	6.3
111.08097	10.4
113.09660	1.8
115.05457	3.6
116.04701	5.6
117.07024	30.5
119.08595	49.5
121.06505	14.4
121.10154	26.9
123.04485	3.2
123.08083	19.5
123.11703	3.9
125.09642	15.9
127.03922	6.6
128.06284	2.4
129.05513	12.8
129.07013	11.2
131.08582	25.7
133.06483	5.9
133.10138	30.4
133.24400	1.5
135.08076	10.0
135.11696	27.1
137.09644	17.4
139.07555	1.6
141.06999	2.6
142.07831	1.9
143.08585	7.8
145.04942	4.6
145.06502	5.3
145.10138	41.3
147.08060	10.3
147.11702	16.5
149.05997	1.8
149.09633	22.9
149.13278	5.5
151.11188	7.1
153.09073	2.2
153.12688	3.6
155.08525	4.1
155.10689	2.8
157.08572	6.0
157.10126	9.1
159.08125	3.1
159.11662	11.6
161.09627	5.5
161.13309	7.0
163.06073	3.1
163.11180	43.9
165.09158	5.1
165.12827	2.8
169.10042	2.2
169.12331	2.1
171.10222	4.1
171.11716	4.7
173.04433	4.5
173.09584	7.6
173.11743	10.3
173.13280	4.1
175.11214	6.0
177.12718	3.5
179.14276	2.1
181.12271	6.8
183.11697	2.2
184.07317	3.1
185.13286	2.9
187.11142	3.4
187.14865	2.3
189.11250	6.4
189.12814	2.0
191.10689	4.7
193.12245	6.5
197.13300	2.3
199.13322	6.3
201.12875	1.7
205.12305	2.2
209.11720	17.7
211.13293	5.0
223.13257	11.3
227.12817	17.1
229.14377	12.4
235.13300	1.5
239.18054	1.6
243.34238	1.6
245.19185	2.8
247.20566	2.7
253.14272	7.6
255.15794	3.5
257.19067	4.2
265.14453	1.9
267.15948	8.5
269.17627	3.0
273.18494	15.1
275.20096	29.4
276.20514	1.6
283.15424	88.0
284.16061	2.3
285.16928	3.7
285.78564	1.7
291.19574	61.3
293.21103	4.8
301.16473	24.6
309.20721	2.0
347.22232	2.9
349.19772	2.9
349.23761	38.6
365.23248	24.0
379.21094	10.5
407.24475	1.9
437.25378	47.4
440.52069	1.6
451.27014	8.5
461.29047	7.7
463.26938	5.8
477.28281	4.1
478.01343	1.6
493.27960	2.6
503.97845	1.9
505.27890	2.2
519.33282	2.4
539.33228	2.8
557.34790	54.8
558.34943	3.2
573.34381	12.6
574.34930	3.8
575.35925	10.3
591.35175	35.0
592.35156	3.2
950.47406	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	949.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	59.6
69.03428	8.5
69.07070	15.4
71.04981	4.4
73.02917	4.1
73.87677	1.0
77.03922	1.4
79.05494	54.6
81.03416	6.0
81.07058	67.5
83.04970	5.1
83.08626	11.8
83.36872	1.1
85.02905	15.2
85.06539	2.5
91.03989	8.0
91.05482	76.9
93.07045	52.7
94.47327	1.0
95.04993	7.0
95.08608	48.7
96.66308	1.0
97.02899	13.4
97.06535	9.5
97.10155	7.5
97.52119	0.9
99.04453	1.5
99.08096	2.5
103.05450	3.8
105.03390	1.2
105.04520	2.7
105.07031	59.9
107.04973	5.6
107.07890	1.6
107.08601	25.4
109.02878	1.4
109.06522	16.9
109.10160	14.3
111.08120	7.3
115.05445	8.5
116.06229	4.0
117.07027	41.2
117.07858	2.0
119.04990	1.4
119.08587	35.1
120.08946	1.0
121.06528	10.8
121.10139	18.6
123.08078	10.1
123.11715	4.3
125.06005	2.9
125.09648	4.4
127.03891	2.5
128.06212	23.2
129.07016	25.9
130.07814	10.9
131.08575	72.6
132.05769	1.1
132.08943	1.2
133.06505	18.5
133.10133	22.4
135.08083	8.0
135.11714	9.9
137.09630	3.7
137.13245	1.5
139.11194	2.5
141.06966	9.3
142.07817	7.0
143.08560	75.6
144.09306	2.5
145.04991	2.6
145.06494	4.4
145.10126	78.1
146.07320	1.4
147.08034	19.0
147.11670	12.3
149.09633	5.6
149.13274	4.3
151.07538	2.9
151.11189	4.4
153.06998	2.2
154.07791	2.1
155.06059	1.7
155.08582	10.1
157.10141	21.7
159.08090	7.4
159.11696	27.9
161.09633	19.7
161.13268	4.0
163.11220	4.2
163.14777	2.4
165.07001	2.6
165.12808	1.3
166.07771	1.9
167.08591	4.5
167.99962	1.1
169.10121	15.8
171.07991	3.2
171.11690	17.5
173.09589	6.8
173.13243	5.1
175.11195	10.4
177.09155	1.5
177.12740	12.0
180.09331	2.2
181.10130	11.3
182.10886	1.3
183.11702	9.8
184.07394	1.2
184.12405	1.3
185.09674	3.3
185.13275	7.3
187.11194	3.6
187.14784	1.7
189.12759	1.5
195.11713	19.5
196.12407	1.2
197.13304	3.1
199.11110	5.5
199.14832	3.2
201.12798	3.0
205.36378	1.1
209.13268	3.6
211.14899	2.2
213.12813	4.9
227.14552	1.4
227.17961	6.8
231.13814	1.6
237.16399	23.5
241.14381	3.2
245.19022	5.7
255.17432	34.0
257.19022	1.8
261.22177	3.7
273.18503	92.6
274.18848	2.9
291.19534	5.2
317.24530	1.4
329.21167	8.1
335.25803	100.0
336.26126	3.8
347.22168	53.5
348.22589	2.3
381.20377	2.5
399.21667	1.3
417.22693	1.7
459.75351	1.3
491.26492	1.5
502.40317	1.0
607.43591	91.1
608.43658	4.9
625.44794	7.7
787.49847	1.7
909.24854	1.2
949.54175	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	43.1
69.03441	5.7
69.06735	0.9
69.07076	11.6
71.01325	0.8
71.04993	1.7
71.24438	0.6
71.51039	1.4
73.02917	2.3
77.03937	1.6
79.05498	35.6
81.03423	3.9
81.07061	46.4
83.04979	2.7
83.08623	7.9
85.02903	10.2
85.06532	2.3
91.03975	4.8
91.05485	42.1
93.07049	40.9
95.04974	5.9
95.08613	34.3
97.02896	7.7
97.06529	6.0
97.10168	3.2
99.04428	0.9
99.08117	1.1
101.02370	0.9
103.05479	2.5
105.04563	1.1
105.07034	32.3
107.04971	3.5
107.07878	1.4
107.08598	18.6
109.02905	0.9
109.06521	11.5
109.10159	9.9
111.08076	4.2
115.05447	3.8
116.06244	2.4
117.07024	19.5
119.04939	0.8
119.08588	21.7
121.06518	5.4
121.10144	13.0
121.11022	0.8
123.04382	0.8
123.08078	6.1
123.11714	3.7
125.05991	0.9
125.09631	2.0
127.03923	1.7
128.06224	10.5
129.07016	12.8
130.07832	5.3
131.08577	36.0
132.05757	0.9
133.06503	9.8
133.09117	0.9
133.10141	16.8
135.08049	4.9
135.11693	7.9
136.46185	0.7
137.05954	0.8
137.09607	2.1
139.11172	1.0
140.52473	0.7
141.06972	5.4
142.07816	3.8
143.08571	37.5
144.05621	1.0
145.04942	1.9
145.06499	2.5
145.10132	33.1
146.07288	0.8
146.10379	0.8
147.08060	10.9
147.11703	7.0
149.09642	4.2
149.13260	4.3
151.07564	2.1
151.11185	2.7
153.06975	1.3
154.07745	1.1
155.06032	1.1
155.08594	6.4
156.09367	0.9
157.10143	10.5
159.08096	4.4
159.11688	15.5
161.09612	11.2
161.13237	2.3
163.06097	0.8
163.11200	3.1
163.14803	0.9
165.07002	1.5
165.09135	1.0
165.12820	0.8
166.07834	0.9
167.08571	2.7
168.09329	0.7
169.10124	7.9
171.08043	1.9
171.11684	9.5
173.09622	3.8
173.13243	2.7
175.11211	5.7
177.12759	6.9
180.09341	0.9
181.10103	5.2
182.10883	1.2
183.11646	4.3
184.07387	0.8
185.09654	2.3
185.13292	5.0
187.11172	1.7
187.14914	1.5
189.12762	1.3
195.11708	8.7
197.09547	0.9
197.13271	1.6
199.11197	1.5
199.14821	1.6
201.12770	1.7
208.12526	0.8
209.13301	2.0
211.14795	0.8
213.12772	2.2
217.70285	0.6
227.14421	0.9
227.17941	3.6
237.16423	9.0
241.14450	1.0
243.21169	1.0
245.18993	2.9
255.17476	15.8
257.19034	1.1
259.20587	0.9
261.22177	4.0
271.17041	0.8
272.17410	0.8
273.18494	51.0
274.18930	1.5
291.19574	3.0
317.24866	1.3
327.19733	1.0
329.21210	4.8
335.25815	100.0
336.26102	2.9
347.22189	29.0
348.22568	0.9
351.19241	0.7
355.79807	0.7
381.21213	0.8
417.22787	1.4
435.23792	1.7
589.42267	1.8
607.43604	62.7
608.44135	4.3
625.44812	6.5
676.11237	1.0
715.45447	0.8
769.48083	1.2
787.49292	2.0
895.51398	0.8
949.55627	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
67.76950	0.4
69.47112	0.9
69.47515	2.5
70.06596	20.1
72.08159	15.0
75.31120	0.4
79.05512	0.5
81.03404	0.4
82.06583	0.9
83.04945	0.4
84.04508	5.7
84.08154	0.5
85.04049	1.1
91.05484	14.5
93.07030	0.9
98.09698	1.7
99.05568	1.0
99.09231	2.8
103.05471	7.3
105.07054	0.8
107.04967	0.9
115.05476	1.8
117.05753	1.2
117.07037	0.9
118.06552	10.3
118.07363	0.8
119.04963	7.0
120.08108	100.0
121.08436	2.1
125.07173	0.4
127.08675	5.3
129.07031	0.8
130.06531	74.8
131.06866	1.0
132.07079	0.4
132.08096	9.0
136.07584	49.0
137.07898	0.6
142.06554	2.4
143.07291	0.8
144.08083	9.2
145.07600	0.8
146.06013	38.8
146.09642	2.9
148.25781	0.5
153.01782	0.4
153.10225	4.7
154.06552	1.9
155.08203	0.7
156.08086	1.2
158.06033	5.9
158.08397	0.6
158.09598	0.6
159.09183	26.4
160.07616	2.2
169.07616	15.8
169.09076	0.8
170.04633	0.8
170.06017	11.3
170.08241	0.6
171.09193	4.7
173.07117	0.7
174.12794	1.5
176.07019	0.4
181.07921	0.7
181.09729	11.2
182.06035	1.8
182.09744	0.6
183.09311	0.5
184.07608	0.5
184.11217	0.6
185.07129	0.5
186.10297	1.2
187.08685	3.8
188.07071	84.0
189.07405	1.1
191.08250	1.0
191.11816	1.2
192.92801	0.4
196.11264	0.4
197.07109	2.5
197.08894	0.4
197.10794	1.3
198.05429	0.6
199.08682	1.6
200.07007	0.4
201.10168	0.7
201.13890	4.5
205.09731	63.6
206.10060	1.1
208.11035	0.4
209.09201	5.1
215.08165	17.2
217.09764	0.8
219.11365	1.3
223.12306	0.4
225.06619	0.5
225.10342	0.9
225.13766	0.8
229.09882	0.8
229.13364	20.4
232.10800	4.8
234.12967	0.5
236.10413	0.6
241.13354	1.3
243.07640	1.4
244.11249	0.6
247.14563	0.8
250.96483	0.4
251.11823	0.6
252.14917	0.7
253.09560	0.6
253.13350	2.4
256.14343	0.4
257.12857	31.0
258.12906	0.7
268.14508	1.6
269.12860	1.3
270.16037	0.9
274.15591	0.6
276.13455	6.4
280.14362	2.5
281.12854	6.1
285.12335	17.8
286.11993	1.3
286.15292	0.7
290.11716	0.9
290.14963	0.4
296.13992	1.1
297.12411	0.8
300.17032	1.3
302.14993	20.7
303.14676	2.2
314.14984	6.2
324.13333	0.9
324.17032	0.6
328.16562	5.2
342.14410	4.3
344.16064	0.9
345.19293	0.5
356.15958	3.6
368.16119	0.5
371.17078	1.0
372.16101	0.8
373.18744	17.6
378.18088	1.1
385.18494	0.8
389.18100	1.5
399.16711	1.3
413.18149	0.7
416.19867	0.5
427.15591	0.4
433.18588	1.2
437.21582	0.5
443.20670	1.6
444.19135	1.3
461.21844	0.7
465.21243	1.3
471.20227	0.5
472.18936	0.5
488.26404	1.4
489.21362	6.0
497.22275	0.5
498.23691	2.0
514.24615	4.6
516.26038	5.9
526.22980	3.7
532.25635	3.7
542.23901	4.2
549.27948	1.0
560.25092	12.0
568.21460	0.5
578.26038	0.7
645.29797	2.2
666.91022	0.5
667.29089	0.7
673.29681	1.9
702.31006	0.7
730.31500	1.0
809.93304	0.5
903.38953	0.5
920.42078	0.9
948.41876	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01849	0.8
68.99789	2.2
69.03092	0.5
69.03433	8.0
69.60490	0.9
69.60902	1.1
71.01327	0.6
71.04971	0.7
77.03947	0.4
79.01849	2.3
79.05494	0.4
81.03422	29.2
83.01335	1.7
84.83935	0.3
85.02918	2.1
89.03899	0.5
89.50491	0.3
91.01852	0.3
91.05471	0.6
92.99770	2.1
93.03408	1.3
95.01330	5.0
95.04964	0.3
97.02895	2.9
99.00809	1.1
99.04447	1.2
101.02350	0.8
103.01807	0.4
103.05465	0.8
105.03394	0.4
107.01328	0.4
107.04912	0.5
109.02886	23.0
111.00804	1.2
111.04426	1.0
113.02374	1.1
117.03364	0.7
119.01301	1.4
119.04955	0.7
121.02882	3.5
123.00801	2.7
125.02341	1.7
126.28895	0.3
127.03931	6.0
129.03397	0.5
135.04422	0.4
137.02354	2.8
139.00261	0.7
139.03900	1.0
141.01811	1.5
145.02850	1.1
147.00745	1.0
147.04402	1.6
149.02365	3.2
151.00275	1.5
153.01837	1.6
154.99776	0.4
157.02855	1.3
159.04430	0.7
161.02303	0.6
163.00340	0.5
163.03915	1.8
164.02994	0.3
164.98177	0.7
165.01842	11.1
166.99771	2.1
167.03429	4.7
169.01337	1.0
173.02357	2.3
175.00252	0.4
175.03859	2.3
177.01907	1.8
181.01306	1.1
182.99252	1.1
183.02837	0.6
185.00906	0.5
185.02322	1.9
187.02438	0.5
187.03935	4.5
189.01857	1.5
191.03418	3.2
193.01338	37.0
194.01762	0.4
194.99283	0.6
195.02910	1.8
197.00786	0.6
201.01816	5.0
202.02620	0.4
202.99796	0.9
203.03395	5.5
205.01295	2.0
207.02849	0.8
209.00871	0.9
210.42494	0.4
211.02374	2.0
213.01862	3.4
215.03401	3.6
217.01425	1.7
217.04887	0.5
219.02911	5.4
221.00818	57.4
222.01147	1.0
223.02296	0.6
227.03400	0.4
229.01355	5.7
230.02055	0.5
231.02893	21.0
237.00429	0.3
239.01848	5.3
240.99025	0.6
241.01308	3.9
243.02913	1.1
245.00839	3.5
247.02402	12.6
248.02988	0.3
249.03880	0.4
255.02870	0.4
257.00809	7.0
257.02917	0.5
258.01462	0.5
259.02393	29.5
260.02826	0.9
261.04041	0.7
263.01868	2.4
267.01321	1.7
269.04535	0.5
271.02386	1.7
273.00308	2.3
273.03967	0.9
275.01877	16.7
276.02545	3.8
277.03448	100.0
278.03867	2.0
281.04480	0.5
283.02252	0.7
284.05963	0.4
285.00296	5.8
285.03589	0.6
287.01807	1.1
289.03391	1.4
291.01431	1.1
295.02704	0.4
297.00427	0.4
297.03970	0.6
299.01978	0.5
300.99835	0.7
301.03336	1.0
302.00781	0.7
303.01355	83.5
304.01703	1.8
305.03043	0.7
309.03662	0.4
311.01651	0.6
312.99887	0.5
313.03589	0.4
315.01382	0.4
317.02930	0.7
319.00717	0.6
319.04376	0.4
321.02368	1.9
325.03619	0.5
327.01285	0.6
329.02866	1.0
345.02609	0.4
347.03955	1.0
355.04477	0.4
357.02444	0.5
358.48859	0.4
365.04810	0.5
375.03696	0.5
383.04004	0.5
385.05936	0.5
393.03201	0.3
401.05597	0.5
403.02911	1.3
411.03857	0.5
415.03125	0.4
421.04266	0.4
429.04529	2.7
431.02786	2.0
446.87097	0.5
447.05539	2.5
449.03555	4.1
459.01974	5.0
467.04666	0.7
477.03003	18.1
478.03326	0.4
495.03769	0.9
513.05383	0.5
557.05438	1.0
575.07111	0.5
585.05194	0.9
603.06146	1.6
621.07275	5.4
941.08765	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	941.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01870	0.3
68.04701	0.3
69.03437	4.9
70.47385	0.9
71.01347	0.3
71.04977	0.4
75.71490	0.3
77.03917	0.3
78.93594	0.3
81.03420	33.8
82.03785	0.3
83.01334	0.7
85.02885	1.3
89.03922	0.6
91.05474	0.6
92.99772	0.6
93.03417	0.6
94.98555	0.3
95.01331	3.9
97.02877	1.4
99.00824	5.5
99.04472	0.7
101.02378	0.4
101.67947	0.3
103.05449	1.0
105.03405	0.4
107.04948	0.7
109.02884	17.8
109.21346	0.3
111.00798	0.5
111.04431	0.9
113.02376	0.7
117.01846	0.7
117.03342	0.4
119.01269	0.4
119.04967	0.5
121.02843	0.8
123.00777	0.4
125.02361	0.5
125.34258	0.3
127.03936	3.3
129.03351	0.9
131.04956	1.0
133.02908	0.4
135.04349	0.3
137.02335	2.9
139.03906	1.8
141.01848	1.8
145.02840	0.7
147.04422	2.0
149.02357	0.8
151.00293	0.4
153.01843	1.4
157.02867	1.4
157.06401	0.4
159.04433	0.8
161.02368	0.7
163.03874	2.1
165.01848	6.5
165.03268	0.3
167.03407	2.3
169.01286	0.6
173.02391	2.3
175.00266	0.8
175.03923	2.8
177.01796	1.8
179.03345	0.5
181.01314	0.3
182.99178	0.4
183.02898	0.9
185.02321	1.7
187.03918	5.1
189.01833	2.5
191.03419	4.1
192.04129	0.3
193.01328	12.1
195.02835	1.5
197.00871	0.6
201.01857	4.5
202.02412	0.4
203.03407	4.7
205.01338	0.7
207.02895	0.7
211.02367	0.7
213.01871	3.6
215.03400	4.5
217.01343	3.7
218.01962	0.7
219.02902	6.6
221.00819	41.6
222.01117	0.6
229.01353	4.2
230.02066	0.7
231.02896	23.0
232.03256	0.4
235.02409	0.9
239.01874	18.8
241.01363	4.2
245.00845	7.5
245.02974	0.2
246.01477	0.6
247.02402	9.5
248.02812	0.4
257.00778	6.7
259.02393	33.4
260.02832	0.8
261.04016	0.4
263.01968	1.2
269.01483	0.3
271.02322	0.4
273.00320	4.8
273.03387	0.5
274.01028	0.6
275.01877	16.2
276.02591	4.4
277.03445	100.0
278.03787	2.2
283.02563	0.3
285.00360	4.1
285.03500	0.5
287.01868	0.5
289.03442	0.8
291.01373	0.5
301.00125	0.5
301.03494	0.7
302.00650	0.3
303.01361	53.8
304.01703	1.6
305.02856	1.7
313.03366	0.7
315.01270	0.8
316.53583	0.3
317.02753	0.6
321.02386	2.0
328.99329	0.9
329.02921	0.5
331.00937	1.2
347.04013	0.4
349.01993	0.7
367.04153	0.3
380.89365	0.3
393.27539	0.3
411.03607	0.9
421.04013	0.6
429.04568	1.4
431.02499	0.4
447.05292	1.4
449.03531	11.4
459.01874	1.2
467.04825	0.4
477.03036	28.9
478.03391	1.1
495.04037	5.1
557.05695	0.4
585.05188	0.4
603.06207	0.4
621.07318	4.3
783.00525	0.3
941.08978	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	940.5842
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	19.2
69.03392	2.4
69.07073	21.5
71.04970	2.1
71.08602	2.7
73.02901	1.8
77.89233	0.7
79.05084	0.9
79.05495	12.7
81.03421	62.6
81.07060	23.6
83.04975	3.7
83.08622	26.9
85.02905	5.4
85.06544	1.2
85.10177	2.0
86.09679	0.7
91.03931	2.8
91.04984	0.9
91.05483	12.7
93.07045	11.5
93.69074	0.6
95.04388	1.1
95.04974	19.3
95.08614	21.9
96.08918	0.8
97.02891	4.8
97.06498	3.1
97.10175	13.0
99.08035	0.7
105.06393	0.9
105.07034	9.3
107.04951	4.2
107.08598	6.7
107.14651	0.7
109.06524	3.2
109.10156	9.3
111.04460	1.2
111.08093	6.0
111.11700	2.2
115.05443	1.3
117.07030	0.8
119.04971	1.0
119.08591	7.9
121.06464	1.8
121.10155	10.6
123.04443	1.5
123.08041	1.5
123.11662	2.1
125.09626	1.4
127.03850	0.8
129.07010	6.5
131.08591	7.2
133.06429	1.7
133.10126	3.8
135.11691	6.7
139.11156	1.2
142.07733	1.7
143.08545	0.7
145.04910	1.6
145.10158	1.4
147.04385	0.8
147.08011	2.0
147.11703	5.4
149.09656	4.2
149.13239	2.8
157.10136	7.1
163.06026	2.5
163.11169	1.9
163.14851	1.2
165.12756	1.0
165.16330	0.7
171.11601	0.9
175.11174	6.7
189.05434	0.9
193.12253	22.1
211.13277	1.9
235.13263	2.1
247.24144	1.6
249.14871	2.3
259.13318	1.8
265.25223	2.9
267.15930	100.0
268.16327	1.3
268.57697	0.7
301.14331	1.9
309.16910	3.2
339.28955	91.2
340.29352	2.6
375.17880	1.1
457.36871	2.4
531.40485	85.1
532.40820	4.3
549.41553	14.0
573.41467	6.3
591.42480	0.8
627.42621	2.4
639.42261	2.5
657.43481	2.8
675.44373	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5864
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	0.1
67.05510	1.6
69.03432	2.7
69.07072	0.5
70.28214	0.4
71.01366	0.6
71.04993	0.3
71.08642	0.5
73.02921	3.2
73.03310	0.2
75.04479	0.1
78.82230	0.1
79.05489	1.1
81.03425	1.3
81.07054	1.7
83.08636	0.4
84.86104	0.1
85.02911	4.6
85.10202	0.5
87.04490	0.2
91.03962	2.9
91.05491	0.6
93.07053	1.4
95.04992	0.2
95.08611	1.6
97.02900	4.3
97.06570	0.1
97.10172	0.2
99.04460	1.0
101.02387	1.5
103.03981	0.2
105.07071	0.4
107.08604	0.6
109.02882	0.8
109.10168	0.7
115.03967	0.4
119.08641	0.4
121.10150	0.3
123.11735	0.3
127.03933	1.7
131.08606	0.3
135.11742	0.4
145.05014	0.4
147.11682	0.2
149.13269	0.1
159.11794	0.1
161.13284	0.1
171.23535	0.1
185.04243	0.7
201.03754	0.2
203.05319	0.8
243.08368	1.9
259.07816	0.2
261.22046	0.1
267.55566	0.1
267.97992	0.1
286.99161	0.3
306.74930	0.1
313.27475	0.5
335.25912	0.3
347.09531	2.3
363.09189	0.5
365.10526	0.9
405.13705	5.1
497.30896	3.5
497.37836	0.2
519.29333	4.0
571.58575	0.1
659.36096	4.0
681.34540	5.6
682.35449	0.3
775.53387	1.1
879.48962	0.2
937.58630	100.0
938.58887	6.7
957.57233	0.1
974.00854	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	938.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	4.5
67.05507	100.0
68.05817	1.3
69.03429	5.7
69.06733	1.4
69.07072	20.2
70.06593	1.4
71.01342	2.3
71.05005	5.0
71.51943	1.2
73.02893	2.3
74.71690	1.1
79.05495	59.2
81.03419	11.3
81.07058	61.9
83.04979	8.6
83.08621	17.3
84.92314	0.9
85.02435	1.8
85.02908	24.4
85.06528	2.4
87.04475	6.6
91.03956	8.5
91.04903	1.8
91.05484	34.2
92.05815	1.0
93.07047	48.5
95.04989	8.1
95.08607	50.0
96.04518	1.1
97.02902	11.5
97.06524	5.7
97.10171	22.9
99.04470	1.2
99.08089	1.2
103.03957	3.4
103.05463	1.3
105.04531	2.1
105.07030	20.7
107.04924	3.1
107.08596	32.1
109.02899	1.2
109.06509	3.7
109.10160	58.0
111.04446	1.9
111.08089	5.1
113.09629	1.9
117.07010	12.0
119.08588	21.3
121.06534	1.9
121.10149	26.2
123.08057	6.1
123.11715	5.3
125.09628	20.6
127.03923	3.8
129.07008	3.8
131.08566	13.4
133.06470	1.2
133.10146	13.2
135.08029	1.4
135.11703	13.7
137.09630	3.3
137.13235	1.4
139.11133	3.0
143.08557	3.4
143.10677	2.8
145.04968	3.2
145.10138	12.1
147.08051	2.1
147.11726	6.4
149.02350	1.2
149.09624	3.2
149.13281	6.1
151.11180	1.3
153.01805	1.3
153.12709	1.6
155.08601	2.0
155.10687	4.1
157.10146	3.9
159.08113	1.1
159.11662	8.2
161.09645	1.5
161.13261	3.9
163.06053	1.5
163.11177	5.9
163.14793	3.4
169.10100	2.2
171.05933	1.1
171.11685	2.8
173.09677	1.4
173.10333	1.3
173.11737	12.7
173.13274	7.7
174.98792	1.1
175.11263	2.5
175.14850	3.3
183.11653	1.1
185.11765	1.4
185.13300	3.3
187.14819	4.0
189.11198	2.8
189.12788	1.2
191.10687	3.1
193.12283	3.9
199.13287	9.5
199.14859	1.6
201.16400	2.5
203.12758	1.8
205.15918	1.3
209.11682	3.6
209.48820	1.0
211.13205	2.1
217.14311	1.5
225.16605	1.0
227.12766	9.8
227.18205	1.1
229.14342	45.8
230.14723	1.9
241.14366	2.0
243.21094	5.1
245.13866	4.5
259.20673	2.9
261.19208	1.5
261.22134	13.8
263.20068	1.2
267.15948	7.3
275.20056	2.1
277.21664	2.6
283.15237	1.6
285.16855	1.2
289.21716	3.0
300.15381	1.1
301.16467	21.0
315.23132	2.8
317.24692	3.0
319.17542	2.0
327.23123	2.1
333.24225	1.7
335.25824	60.2
336.26050	2.9
349.24045	1.4
351.25494	1.7
363.25571	1.9
385.49896	1.2
433.30798	1.8
451.31876	2.1
459.35043	1.2
469.32742	2.4
477.35556	7.9
489.35995	10.7
503.33844	1.3
507.36935	1.4
525.35846	2.2
527.37177	1.4
543.36786	9.0
561.38000	13.4
579.38831	3.5
622.67151	1.3
896.66870	1.2
938.45123	1.5
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
65.03932	2.8
67.05510	57.4
69.03420	3.5
69.07078	10.0
69.92761	5.2
71.04992	2.8
73.02906	2.4
79.05493	47.6
81.03419	91.3
81.07057	59.5
83.04990	6.3
83.08150	1.9
83.08624	24.7
85.02891	8.1
85.06554	3.2
91.03963	5.6
91.05486	37.7
93.07047	43.6
93.07639	2.1
95.04970	31.9
95.08609	41.8
97.02888	7.0
97.06522	4.9
97.10164	5.0
97.10715	1.1
98.21443	1.6
99.08109	2.5
103.05476	1.5
105.04520	2.0
105.07034	26.2
107.04960	7.7
107.08594	24.7
109.02890	1.3
109.06530	4.5
109.10162	22.6
111.04411	2.1
111.08057	9.6
113.65332	1.2
115.05456	1.8
117.07020	8.7
119.04910	1.3
119.08582	25.6
121.06497	4.9
121.09328	2.0
121.10149	23.9
121.11037	1.4
123.04447	2.3
123.08073	4.8
123.11714	7.2
125.09629	5.9
127.03941	2.4
129.07016	10.1
131.08577	18.8
133.06497	3.3
133.10126	13.6
135.07983	1.6
135.11708	13.4
137.09630	3.3
137.13220	2.2
142.07790	2.4
143.08566	3.4
145.04915	3.5
145.06516	1.6
145.10143	9.8
147.04329	1.7
147.08075	5.5
147.11699	14.3
149.09613	4.9
149.13243	9.0
155.08554	2.4
155.39273	1.1
157.10104	9.4
159.11671	6.9
161.09633	1.6
161.13280	6.7
163.06010	3.5
163.11189	2.1
163.14822	3.6
165.12749	1.8
169.10136	2.1
171.11658	2.6
173.13271	5.5
175.11151	8.4
177.12820	1.2
177.16359	1.6
183.11769	1.9
183.37706	1.2
185.13220	2.4
187.14801	4.3
189.11230	4.2
193.12241	22.9
201.16312	1.8
211.11255	1.1
211.13345	3.2
227.12758	8.2
233.15408	1.9
235.13284	3.2
243.21130	4.9
247.16989	1.4
249.14862	3.0
259.13327	2.2
261.22131	17.5
262.32520	1.1
267.15933	100.0
268.16379	1.4
279.23108	1.8
301.14136	1.9
301.25278	5.2
309.17120	6.1
309.20343	1.6
317.24884	2.9
335.25821	76.1
359.25281	1.5
417.31296	1.6
421.25699	3.1
435.27560	2.6
435.32388	5.7
453.33524	9.7
471.34601	4.8
475.30841	1.4
509.36026	2.7
527.37347	70.2
528.37354	2.9
545.38354	66.1
546.38086	3.1
559.40497	2.3
569.38440	8.8
587.39563	1.4
635.39471	3.4
653.40350	3.2
671.41107	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	937.5863
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	2.0
69.03431	3.5
69.07077	0.6
69.84608	1.0
71.01366	0.4
71.05007	0.5
71.08630	1.0
73.02926	3.6
76.19624	0.2
79.05495	1.2
81.03436	1.4
81.07065	2.4
83.01321	0.3
83.04999	0.2
83.08648	0.8
85.02911	5.6
85.10206	0.7
87.04497	0.3
91.03960	3.4
91.05514	0.9
93.07034	1.3
95.08624	1.5
97.02896	5.4
99.04475	0.9
101.02393	1.8
103.04039	0.3
105.07023	0.4
107.08614	0.7
109.02901	1.0
109.10180	0.8
113.30544	0.2
115.03951	0.4
119.08558	0.3
121.10161	0.8
127.03925	1.7
133.10172	0.3
135.11729	0.3
145.04918	0.5
145.10139	0.3
147.11690	0.3
159.02699	0.2
185.04303	1.0
196.93762	0.2
203.05325	0.7
223.25935	0.2
243.08394	2.0
254.86288	0.3
313.27551	0.8
347.09567	1.9
363.09155	0.4
365.10440	1.0
405.13730	5.2
405.18604	0.4
497.30908	3.4
519.29407	4.7
659.36292	3.7
681.34613	5.6
682.35437	0.4
775.53540	0.9
824.75415	0.3
937.58649	100.0
938.58771	6.7
946.57471	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	936.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	6.0
67.05508	83.1
69.03436	14.0
69.07074	29.5
69.32790	14.5
71.04989	8.9
71.08617	1.7
72.45883	1.9
73.02909	6.4
79.05497	81.4
80.05840	2.4
81.02932	2.5
81.03422	67.6
81.07059	87.4
82.07391	2.3
83.04989	24.8
83.08624	27.4
84.08155	2.1
85.02909	48.4
85.06536	3.8
86.09711	2.2
87.04482	2.0
91.03956	11.2
91.05486	100.0
93.07047	72.4
95.04972	39.5
95.08608	46.5
97.02897	16.0
97.06539	17.2
97.10184	10.1
98.20888	4.6
98.21535	3.6
99.04451	4.9
99.08099	5.7
103.05421	2.6
105.04529	3.6
105.07035	87.2
107.04975	13.2
107.08596	39.5
109.02889	3.3
109.06532	11.8
109.10156	21.4
111.04413	5.1
111.08087	14.5
113.06001	2.8
113.09618	2.0
115.05447	4.6
117.07011	22.3
119.08588	61.5
121.06537	4.5
121.10153	30.7
123.08065	10.1
123.11699	6.7
125.09612	8.0
127.03926	8.4
128.06180	3.9
129.05478	7.2
129.07007	24.4
131.08577	39.9
133.06482	5.2
133.10136	47.7
135.08084	3.6
135.11711	17.9
137.09604	4.4
141.06990	2.7
142.07776	7.2
143.08542	11.7
145.04932	5.5
145.10130	22.2
147.08075	4.9
147.11691	44.2
149.09651	16.4
149.13298	12.7
153.01828	2.1
153.15817	1.9
155.08556	5.0
157.10130	25.1
159.11700	18.9
161.09628	1.8
161.13258	15.9
163.05984	2.3
163.11217	9.9
165.12762	5.2
169.10103	3.6
171.11693	10.2
173.04523	2.0
173.11963	2.2
173.13167	9.8
175.11223	17.4
175.14818	5.1
177.12756	6.5
181.10068	2.8
183.10144	2.0
183.11615	4.2
184.07367	7.3
185.13245	6.9
187.14796	2.9
189.11194	4.1
193.12257	58.1
195.13776	6.3
197.13272	3.0
199.14844	3.9
201.41183	2.0
211.13301	73.6
211.15297	3.5
227.12685	4.0
229.14355	5.6
231.21053	2.7
235.29742	1.8
239.17989	2.9
241.19508	15.6
249.15025	2.1
255.15894	2.8
257.18979	7.6
259.20587	44.5
267.15897	34.1
269.17398	19.7
271.20398	1.9
275.20157	20.1
277.21606	3.0
283.15472	7.0
285.16989	70.6
293.21149	3.4
301.16562	5.5
315.23242	4.5
333.24319	31.8
349.23730	11.2
433.30783	4.2
439.26636	3.1
451.31873	7.0
461.29016	13.3
463.30554	2.1
477.28235	4.7
479.30115	32.0
507.35226	2.1
515.37183	4.9
525.35693	15.8
541.35077	4.6
543.36865	45.7
559.36444	14.4
561.37231	3.2
574.80042	1.9
577.37207	5.1
704.43475	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	936.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	4.6
67.05506	72.3
69.03436	15.8
69.07069	32.9
69.11066	1.9
71.05000	11.8
73.02906	4.6
77.03914	2.7
79.05494	83.7
81.03419	100.0
81.07055	96.1
83.04992	26.6
83.08626	37.6
85.02909	45.1
85.06536	6.2
91.03950	6.3
91.05482	89.2
93.07050	70.2
95.04973	40.9
95.08611	41.2
97.02889	17.4
97.06532	17.0
97.10162	14.9
99.08083	3.7
104.41844	2.0
105.07036	67.1
107.04969	19.6
107.08610	49.9
109.02874	5.3
109.06534	12.8
109.10149	15.6
111.04436	5.6
111.08083	17.5
113.06005	3.1
115.05457	4.2
116.06191	2.0
117.07011	20.8
119.08592	50.5
121.06509	7.9
121.10143	26.4
123.08058	9.5
123.11700	4.4
125.09629	15.1
127.03905	6.6
127.07543	2.1
128.06255	3.0
129.05519	3.7
129.07005	20.5
131.08575	36.7
133.06516	4.2
133.10143	34.1
135.08015	6.6
135.11697	15.8
137.09636	4.1
140.04189	2.4
141.06985	3.6
142.07788	6.5
143.08543	5.0
145.04929	2.4
145.06479	2.7
145.10139	25.6
147.08029	6.4
147.11688	28.3
149.09636	19.5
149.13263	10.1
151.11198	3.6
153.09137	2.1
155.08545	3.6
157.10150	25.9
159.11723	15.4
161.13332	4.2
163.11159	11.2
165.09166	3.3
165.12756	4.2
169.10152	3.4
171.10254	2.4
171.11661	3.4
172.90901	2.4
173.04436	5.0
173.13232	6.7
175.11172	23.2
177.12695	4.7
179.14317	2.4
181.12202	2.9
183.11707	3.9
185.13295	4.1
187.11227	3.3
187.14896	2.5
189.11192	5.0
193.12247	59.9
195.13751	5.0
197.13165	2.8
211.13298	78.7
211.15294	4.8
227.12770	23.4
239.17880	3.7
247.20444	2.3
255.15804	10.5
257.19159	13.6
267.15921	47.1
269.17465	31.0
275.20065	50.3
278.71066	2.4
285.16986	93.0
290.06522	2.0
293.20978	4.7
331.22552	3.2
349.23746	53.0
350.24133	2.7
367.24768	3.0
421.25732	4.2
437.24979	2.7
439.26953	4.4
443.27783	4.4
447.27344	12.1
453.28625	2.1
455.25885	3.5
461.28958	33.1
463.30728	2.5
465.28601	15.3
479.30051	93.7
479.36972	4.8
480.30350	2.5
492.64667	2.5
539.57593	2.1
541.35199	34.8
559.36334	81.1
560.36975	3.9
577.37451	13.5
605.32623	2.6
623.24487	2.5
623.34021	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	934.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	7.2
67.05509	72.8
69.03431	15.3
69.07072	41.7
70.90661	3.6
70.91011	2.6
71.05003	10.7
73.02908	4.9
79.05499	65.2
81.03425	55.6
81.03837	1.3
81.07063	80.1
83.01347	8.3
83.04987	28.7
83.08622	34.3
84.24888	1.5
85.02911	30.8
85.06550	5.2
86.09708	1.9
91.03953	7.5
91.05483	68.4
91.76738	1.5
93.07050	68.5
95.04980	31.3
95.07994	1.9
95.08601	33.6
97.02906	19.6
97.06535	20.4
97.10175	20.2
99.04455	5.3
99.08101	4.2
105.03400	2.2
105.04540	2.3
105.07040	51.2
107.04974	21.9
107.08601	52.3
109.02904	3.2
109.06532	18.2
109.10174	18.7
111.04462	5.1
111.08102	9.3
113.09482	1.7
113.11625	1.6
115.05457	3.6
117.07016	23.9
119.04935	2.3
119.08587	44.3
121.06510	11.6
121.10159	27.1
123.04438	1.8
123.08067	12.4
123.11703	4.1
125.05996	2.7
125.09652	17.0
127.03931	7.5
128.06149	2.4
129.05528	2.4
129.07018	13.9
130.07785	4.8
131.08582	26.0
133.06494	6.2
133.10133	27.3
135.08066	7.2
135.11685	19.8
137.09647	6.1
139.07556	1.8
142.07829	1.9
143.08595	8.6
145.04950	3.3
145.06508	3.3
145.10133	32.8
147.08063	9.1
147.11678	19.4
149.05930	1.6
149.09598	13.2
149.13301	9.0
151.11124	2.6
153.09117	2.5
153.12772	3.3
155.08580	5.8
157.10103	13.1
159.08040	2.3
159.11705	14.9
161.09644	5.3
161.13248	3.7
163.06108	2.1
163.11200	28.2
165.09084	3.0
165.12820	3.0
169.10107	2.3
171.11688	4.1
173.04565	3.8
173.09637	4.2
173.13249	3.8
175.11191	7.9
176.00816	1.7
177.12773	5.3
181.12245	4.0
183.11566	2.0
189.11221	7.9
191.10709	2.4
193.12265	24.7
195.13829	6.1
205.12314	2.1
209.11760	5.6
211.13293	36.7
223.13280	14.8
227.12761	23.5
229.19403	2.3
249.14876	4.3
253.14471	2.2
255.15923	7.0
257.19034	6.6
267.15909	25.9
269.17496	17.9
273.18506	17.3
275.20035	24.6
283.15430	83.5
284.15619	1.7
285.14038	3.3
285.16980	36.6
289.17953	2.5
291.19550	94.2
292.19916	1.8
293.21106	3.4
347.22229	2.8
349.23868	23.3
365.23264	47.8
437.25308	3.8
445.25699	3.6
453.24826	4.1
459.27518	5.5
463.27023	22.3
477.28525	100.0
478.28964	3.5
495.28976	2.4
539.33655	5.9
557.34802	87.1
575.35840	91.3
576.36115	4.4
621.32373	3.6
651.89331	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	934.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	5.9
67.05508	80.7
69.03435	9.1
69.07074	11.5
71.01360	3.6
71.04996	18.0
71.69086	1.4
73.02921	5.1
79.05495	46.1
81.03419	100.0
81.07058	55.2
83.04980	19.9
83.08620	31.8
84.04498	1.8
85.02903	13.5
85.06545	6.4
86.09672	1.9
87.04472	22.6
91.03960	3.8
91.05485	54.8
93.07042	40.2
95.01302	2.1
95.04971	40.1
95.08606	22.6
97.02896	13.4
97.06528	10.6
97.10177	19.0
99.04469	9.5
99.08147	1.9
103.05473	3.1
105.07039	34.5
107.04955	24.1
107.08590	27.0
109.02890	4.5
109.06502	10.7
109.10157	57.9
109.32916	1.4
111.04449	13.0
111.08073	10.6
115.05457	2.9
117.07014	14.6
119.04922	2.6
119.08585	30.3
121.02862	2.5
121.06526	11.8
121.10153	23.0
123.04466	8.2
123.08054	9.0
123.11700	2.5
125.06009	3.3
125.09636	15.0
127.03971	2.2
129.05556	1.8
129.07010	20.0
131.04965	2.8
131.08560	23.4
132.99536	2.0
133.06491	5.8
133.10139	17.4
135.04434	8.7
135.08060	8.7
135.11676	12.3
137.05995	6.1
137.09613	6.9
141.06972	2.4
142.07768	3.7
143.08604	3.9
143.10736	2.7
145.04958	1.9
145.06523	3.7
145.10153	13.2
147.04407	5.9
147.08083	8.2
147.11684	19.1
149.05998	2.1
149.09627	25.1
149.13298	1.9
151.07568	3.2
151.11258	1.9
153.09111	6.1
153.12753	9.9
155.08508	3.4
155.10670	4.8
157.06459	2.1
157.10144	17.2
159.08134	2.0
159.11734	2.8
161.05994	5.8
161.09584	2.9
161.13260	1.6
163.07559	2.3
163.11172	19.2
165.12766	4.7
167.10683	2.5
169.10121	3.1
171.10236	2.1
171.11606	2.7
173.05841	1.6
173.09622	4.2
173.11818	11.8
173.13100	2.7
175.11188	23.7
179.08446	1.9
181.12241	10.1
183.11685	3.6
185.13174	3.3
189.09633	1.8
189.11227	11.7
189.12741	2.6
191.10712	9.0
193.12256	62.9
195.11723	2.3
197.15393	3.5
199.11488	2.4
199.13226	8.4
201.12730	2.6
203.14316	3.3
205.12294	3.0
207.13792	1.8
209.11646	13.1
211.11308	3.0
211.13280	53.6
213.12762	2.6
215.10684	1.8
217.12349	3.7
219.13794	2.4
221.15326	3.5
223.13242	3.0
225.14873	15.1
227.12767	21.4
229.12245	2.8
229.14352	39.5
231.13850	6.5
233.11815	1.9
235.13278	6.1
241.14394	3.2
247.13310	8.9
249.14903	20.0
251.12851	2.3
256.13681	1.5
259.13190	3.8
259.15521	2.9
263.16437	2.9
265.14499	2.1
267.15939	70.1
273.14853	5.8
275.12888	2.9
277.43829	1.6
283.15405	19.7
289.14328	1.9
299.18558	1.8
301.14383	7.8
303.15820	2.0
309.16837	5.7
315.18121	6.1
319.15540	2.7
337.21576	7.1
347.20044	2.7
355.22571	9.7
365.21115	13.3
367.22638	2.1
373.23920	7.6
383.22208	35.8
391.24667	2.7
401.23221	28.5
403.24579	4.0
409.25970	2.4
415.24823	7.2
421.25912	26.9
433.25958	10.4
439.24884	2.7
447.27359	4.6
457.26019	13.6
459.27365	4.2
463.26779	3.2
475.26968	31.5
477.28549	2.3
489.28381	4.5
493.28201	9.8
499.27240	1.8
507.29599	30.2
517.28046	4.3
525.30402	11.8
529.27844	3.9
547.28699	3.7
633.32288	4.8
651.33484	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	932.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	3.1
67.05505	56.3
69.03423	5.4
69.06726	1.7
69.07070	20.3
70.46162	2.3
70.46468	1.3
71.04979	5.7
73.02900	2.6
73.06543	2.0
79.05493	71.5
81.03420	14.0
81.07055	61.7
83.04987	12.9
83.08630	10.3
85.02891	7.4
85.06531	4.7
91.04900	2.7
91.05479	64.3
93.07045	69.9
95.04973	15.0
95.08609	28.6
97.02876	6.5
97.06528	15.0
97.10178	6.1
99.04445	1.5
99.08104	1.4
102.90517	1.2
103.05513	1.4
105.04531	3.1
105.07029	49.4
107.04951	12.2
107.08585	25.6
109.06522	7.2
109.10150	13.6
111.04372	1.4
111.08071	5.2
115.05451	2.8
117.06992	17.4
119.08579	29.3
121.06479	3.8
121.10141	10.9
123.08070	6.2
123.11721	2.5
125.09606	4.4
127.03928	2.8
128.06236	3.6
129.07016	16.6
131.08545	12.3
133.06511	1.3
133.10133	18.8
135.08046	2.9
135.11681	12.6
141.07037	1.6
143.08562	7.6
144.09299	1.3
145.06491	1.5
145.10112	15.4
147.08086	3.0
147.11687	29.5
149.09653	8.9
149.13240	4.7
151.11147	2.4
153.12698	1.5
155.08562	1.7
156.38568	1.3
157.10152	3.2
159.11761	6.9
161.09634	2.8
161.13240	11.6
163.11151	9.0
169.10092	2.7
171.11699	18.2
173.04433	2.5
173.11877	1.5
173.13280	4.6
177.12805	2.5
179.14282	1.5
181.12221	2.0
183.11720	2.0
187.11337	1.4
189.11203	2.2
189.12729	7.1
197.13306	1.8
207.13777	16.5
225.14774	1.3
227.12788	9.0
229.19408	1.7
232.85509	1.2
239.17967	2.1
253.14313	4.0
255.15849	4.7
257.18997	6.7
269.17520	10.1
275.20108	23.0
281.17468	54.3
283.15421	3.8
293.21323	2.3
293.33496	1.3
312.47427	1.6
331.22897	1.4
349.23776	17.3
367.25107	1.9
435.27283	5.8
451.26874	2.7
455.81122	1.3
457.29254	2.5
459.31104	2.4
461.28937	21.8
462.28925	1.7
475.30582	100.0
476.30682	4.7
479.26465	2.6
527.37170	2.2
537.35510	1.8
555.36816	45.2
556.36536	1.8
573.38239	8.6
580.03424	1.4
619.34479	5.0
948.29016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.631
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	1.3
67.05509	35.4
69.03396	1.7
69.07076	9.8
70.63145	1.2
70.63508	1.1
71.04978	1.1
71.08638	18.2
73.02930	4.4
74.55229	0.6
77.03865	0.7
79.05498	20.9
81.03394	1.4
81.07062	39.4
83.04984	1.0
83.08162	0.6
83.08624	10.8
85.02444	0.8
85.02907	14.9
85.06536	1.3
85.09730	1.0
85.10188	11.3
89.06007	0.7
91.03958	11.4
91.04962	0.8
91.05481	9.9
93.07051	28.1
95.04942	1.1
95.08612	38.8
97.02899	7.9
97.06491	1.6
97.10174	4.3
99.04433	1.1
99.08038	0.9
99.11694	1.0
103.07563	1.3
105.04513	0.9
105.07036	8.2
107.08602	14.4
109.06486	0.7
109.09491	1.1
109.10168	17.5
111.08067	1.0
111.11692	1.1
117.07035	3.0
117.09109	0.8
119.08584	7.9
121.09346	0.8
121.10160	14.3
123.08054	1.3
123.11720	7.1
127.03937	4.2
131.08582	7.1
133.10156	6.4
135.11703	10.7
137.09589	0.6
137.13275	2.8
145.05005	6.5
145.10103	4.2
147.11699	4.5
149.13274	6.3
151.14793	1.1
159.11722	5.6
161.12183	0.5
161.13283	4.2
162.93451	0.5
163.06017	5.9
163.14827	4.3
165.16461	0.6
173.13243	4.5
175.14799	1.7
177.16380	2.0
187.14839	2.2
201.16270	0.6
215.17862	0.6
233.22655	1.8
239.23654	3.8
243.21124	9.9
257.24808	1.9
258.48831	0.6
261.22144	36.4
262.22473	0.9
277.21756	0.7
279.22986	0.6
299.23569	0.8
313.27383	100.0
314.27802	1.8
317.24713	7.4
335.25827	78.3
336.26202	2.3
499.45068	1.2
562.71100	0.7
573.48828	40.3
574.49286	2.1
591.49811	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	933.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	0.7
67.05511	13.1
69.03434	7.5
69.07074	7.0
69.97911	2.6
71.01347	1.2
71.04987	1.8
73.02924	7.5
79.05501	10.3
81.03416	4.0
81.06586	1.0
81.07056	12.3
83.04965	0.8
83.08607	2.8
85.02911	17.4
85.06538	0.7
87.04456	1.3
91.03963	10.5
91.05489	8.4
93.07047	10.9
95.04974	1.6
95.08618	11.7
97.02901	18.4
97.06525	1.4
97.10180	2.3
99.04458	1.7
101.02385	1.9
105.07046	6.9
107.08604	6.1
109.02857	1.3
109.06544	0.8
109.10178	4.5
111.08113	0.6
115.03961	1.3
117.07021	4.9
119.08598	7.4
121.10153	3.7
123.08089	0.6
123.11732	1.2
125.09628	1.2
127.03928	4.6
128.06250	1.3
129.07010	5.5
130.07785	0.6
131.08582	8.7
133.10162	4.4
135.11731	2.7
141.06947	3.3
142.07777	2.1
143.08592	8.0
145.04955	3.5
145.10136	7.5
147.11681	3.1
149.13257	1.2
153.01869	0.7
153.06976	0.8
154.07794	1.3
155.08559	6.8
156.09387	1.1
157.10146	7.9
159.11700	4.7
161.13257	1.8
163.06085	0.8
166.07809	0.7
167.08600	3.7
169.10124	7.9
169.11545	0.6
170.10797	0.6
171.11707	6.2
173.13245	3.4
175.14871	1.2
179.08644	1.6
180.09293	0.8
181.10107	4.6
182.10960	0.7
183.11699	7.7
185.13255	5.1
187.14854	2.2
193.10178	1.9
195.11690	4.1
197.13245	6.1
199.14883	2.8
205.10205	0.7
207.11749	2.2
208.12427	0.8
209.13293	4.5
211.14870	5.0
213.16432	2.4
215.17888	1.1
219.11630	0.9
221.13318	1.9
223.14873	3.3
225.16371	2.8
227.14398	0.6
227.18059	1.6
235.14893	1.7
237.16420	2.5
239.18097	1.3
241.15691	0.6
241.19643	0.7
247.14848	0.7
249.16451	0.6
251.17949	1.1
253.19649	0.9
258.08911	0.6
261.16489	0.6
261.22147	0.7
265.19864	0.8
267.20969	0.9
277.19736	0.6
281.22659	0.7
295.20712	0.6
297.35385	0.6
305.22574	0.7
309.22159	0.8
311.23660	0.8
313.27368	1.0
321.22076	0.6
323.23560	1.0
333.22101	0.7
335.26483	0.8
336.26239	0.9
337.25186	0.9
339.27060	0.6
351.26727	0.6
415.28918	0.6
475.35742	0.6
501.35770	0.7
511.33594	0.8
515.37683	0.8
517.40491	3.4
521.36731	0.6
525.35889	0.6
527.38141	0.7
535.41956	1.5
539.37329	1.8
541.39215	0.7
547.41748	0.6
591.44116	5.4
607.43506	2.0
609.45178	100.0
610.45502	5.5
611.46570	0.8
621.45148	1.8
633.45624	1.0
637.45203	0.6
651.45984	1.0
673.07800	0.6
699.46533	0.8
717.47101	1.3
735.48260	1.9
753.49426	3.3
768.86249	0.6
771.50525	27.3
772.50983	1.1
933.55591	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	930.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	48.2
69.03432	4.3
69.07074	10.5
71.04999	8.8
71.08636	23.6
73.02909	2.3
79.05495	14.3
81.03428	6.9
81.07061	27.9
83.04977	3.8
83.08624	19.1
85.02905	12.8
85.06550	1.9
85.10187	13.0
87.04472	28.7
89.06018	2.0
91.03951	5.0
91.05474	6.3
93.07051	5.6
95.04966	2.7
95.08615	23.4
97.02893	8.3
97.06516	2.3
97.10175	19.8
98.21506	2.1
99.03851	1.7
99.04458	21.0
101.05974	1.0
105.07043	2.1
107.04947	2.5
107.08585	10.3
109.06499	1.1
109.10162	40.3
111.04429	1.7
111.08066	1.0
112.54974	0.8
115.03926	2.2
117.07011	1.8
119.08563	3.9
121.06529	1.0
121.10110	1.4
123.11700	2.8
125.09642	15.1
125.29193	0.7
127.03912	2.8
129.05447	0.8
131.08533	1.6
131.49651	0.8
135.11682	2.3
137.09599	1.7
137.13248	1.1
141.88293	0.7
143.10719	2.2
145.04968	1.3
145.10133	2.8
153.12747	1.6
155.10710	3.7
163.06006	2.9
163.11179	3.3
173.04436	1.0
173.11771	10.3
181.12231	1.5
189.11229	1.7
191.10724	2.2
199.13298	18.1
199.15033	1.5
202.15947	1.0
209.11758	2.4
215.72223	0.9
223.13293	3.0
227.12752	6.4
229.14371	43.2
230.14792	0.9
239.23607	5.0
241.14355	6.5
257.13892	1.1
257.24722	1.2
265.14606	1.1
267.16037	4.6
283.15372	3.6
313.27371	100.0
314.27701	2.5
315.18045	17.6
333.19016	2.6
341.26837	4.6
355.67023	0.9
437.36215	9.9
455.37363	37.1
456.37625	1.3
467.37372	57.5
468.37576	2.0
505.38690	3.6
521.38440	1.1
539.39294	2.6
553.41089	5.3
571.42169	7.5
856.41858	1.0
930.51959	1.1
953.62476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
64.83303	0.1
68.99796	0.1
69.03423	0.2
70.59557	0.1
71.51488	0.1
74.74034	0.1
79.01857	5.9
81.03419	0.4
85.19527	0.1
87.00819	0.2
89.16873	0.1
95.01336	0.1
95.92912	0.1
97.02897	1.2
97.53616	0.1
107.01325	1.3
109.02877	0.7
113.88448	0.1
123.00796	0.3
125.02348	2.9
127.03924	3.0
131.04868	0.1
143.03403	6.4
153.01836	100.0
153.02866	5.7
154.02153	0.9
159.04402	0.3
163.03830	0.1
166.05144	0.1
177.05470	0.2
181.01323	0.1
187.03844	0.1
189.05487	0.1
191.03429	0.1
205.04918	0.5
207.02782	0.1
215.03426	0.2
217.04994	0.2
233.04457	1.1
243.02884	0.2
261.03970	1.4
279.04999	1.8
305.02927	5.7
306.03488	0.1
313.63141	0.1
338.40909	0.1
431.06360	0.2
447.16498	0.1
449.06833	0.2
457.04315	0.1
601.08130	0.1
649.87164	0.1
771.09900	0.3
923.10675	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	927.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	29.8
69.03435	6.4
69.07072	12.0
70.45004	0.9
70.45608	1.9
70.46005	2.2
71.05009	2.3
71.08640	15.7
73.02936	4.6
77.03899	0.9
79.05498	24.5
80.25716	1.0
81.03426	3.6
81.07064	35.0
83.04961	4.3
83.08624	11.5
85.02914	12.5
85.06563	1.6
85.10184	10.4
87.04479	1.1
89.06036	1.1
91.03976	5.3
91.05489	45.8
93.07047	26.5
95.04983	6.0
95.08612	29.2
97.02911	9.3
97.06547	7.2
97.10180	7.4
99.04462	1.4
102.67223	1.1
103.05489	1.8
103.07604	1.1
105.07037	41.7
107.04955	3.5
107.08605	12.0
109.02877	1.5
109.06522	13.6
109.10160	10.5
111.08060	4.7
111.11805	1.1
115.05463	4.8
116.06264	2.1
117.07028	28.8
119.04963	1.6
119.08581	21.4
121.06510	6.7
121.10120	5.8
123.08102	8.0
123.11729	2.6
125.09669	1.8
127.03951	2.7
128.06216	18.0
129.05527	1.3
129.07018	17.6
130.07808	7.6
131.08580	50.4
133.06490	12.8
133.10143	14.5
135.08087	5.6
135.11703	4.3
137.09645	2.0
139.11186	1.6
141.06982	9.4
142.07784	6.1
143.08569	57.0
144.09297	1.0
145.04956	2.9
145.06520	2.8
145.10135	58.7
146.07300	1.4
147.08043	12.9
147.11682	5.8
149.09639	3.2
149.13284	2.5
151.07544	3.1
151.11157	2.1
153.07013	0.9
154.07768	1.5
155.06055	1.8
155.08513	5.3
155.50832	1.0
157.06544	1.1
157.10143	14.9
159.08038	4.4
159.10423	1.9
159.11705	19.3
161.09634	14.4
161.13222	1.7
163.11201	4.8
165.07014	2.0
165.09169	1.0
165.12744	1.1
166.07745	1.0
167.08537	3.3
169.10138	11.3
171.08121	2.2
171.11708	12.1
173.09619	5.0
173.13261	1.7
175.11250	7.8
177.12727	9.8
180.09337	2.1
181.10139	9.5
182.10913	1.7
183.11729	8.0
185.09731	1.8
185.13228	5.0
187.11232	2.4
187.14737	1.1
189.12848	1.2
195.11705	17.0
196.12357	1.2
197.13264	2.0
199.11177	2.2
199.14902	1.5
201.12761	2.3
208.12619	0.9
209.13261	1.9
211.14812	1.4
213.12738	4.4
213.16458	1.1
215.12872	1.0
217.15952	1.1
227.17847	5.3
237.16408	20.7
239.23798	1.8
241.14363	2.1
245.19058	4.4
255.17467	28.3
257.24857	1.7
273.18512	87.4
274.18848	2.4
291.19489	2.7
301.16656	3.4
302.16812	2.1
313.27386	100.0
314.27579	2.6
315.19431	1.5
329.21124	8.0
341.30740	2.4
347.22205	55.3
348.22870	1.1
365.23099	1.1
417.22598	2.7
435.23813	1.5
453.36035	1.1
491.26270	1.5
567.43402	3.5
568.42859	3.2
585.45190	97.4
586.45209	4.5
603.46155	8.2
693.46954	1.0
747.50110	2.8
765.51685	2.2
901.89990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5629
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.2
67.05508	50.5
69.03435	3.2
69.07072	6.6
71.01329	0.8
71.05001	5.0
71.08635	17.5
73.02905	1.9
74.39727	0.5
79.05500	6.7
81.03431	3.9
81.07061	18.0
81.14937	0.6
83.04982	2.3
83.08623	11.5
85.02911	8.4
85.06511	1.3
85.10186	11.7
87.04472	40.4
89.06018	1.0
91.03954	3.2
91.05482	4.3
93.07049	3.5
95.04958	1.3
95.08611	18.3
97.02888	5.6
97.06536	0.9
97.10177	9.1
99.04454	6.2
103.07578	0.5
105.07054	0.9
107.04972	1.2
107.08596	4.0
109.02896	1.1
109.06492	0.9
109.10162	48.6
111.08080	2.0
111.11710	0.6
117.07039	0.6
119.08579	3.8
121.06535	0.5
121.10142	1.7
123.11747	3.1
125.09621	6.1
127.03937	2.5
129.07076	0.6
133.10106	0.9
135.11726	1.1
137.09634	2.1
137.13243	1.1
143.10732	0.6
145.04982	2.3
145.10170	1.5
153.12794	0.8
155.08594	0.7
155.10698	4.3
155.11855	0.9
163.06038	1.9
163.11182	1.7
173.04570	0.7
173.09593	0.8
173.10147	0.8
173.11751	14.1
173.13051	0.5
191.10646	1.0
193.12219	1.0
199.13257	5.5
200.88568	0.6
209.11768	0.9
223.13400	0.6
227.12836	2.5
229.14363	57.1
230.14627	0.9
239.23732	3.9
241.14316	1.4
257.13901	3.5
257.24756	1.2
265.14273	0.7
267.15900	4.2
271.22275	0.7
283.15369	1.4
300.13742	0.9
313.27368	69.9
314.27768	1.9
315.18039	7.2
341.26920	5.0
437.36185	2.2
442.57913	0.7
455.37311	8.3
467.37360	100.0
468.37698	4.8
489.37189	0.6
505.38675	2.7
521.38678	0.8
553.41101	1.6
571.42328	1.1
692.32660	0.6
715.44489	0.7
930.50769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.1
67.05508	59.5
69.03430	2.0
69.07068	10.4
69.28297	5.5
71.04996	18.2
73.02907	2.6
77.03893	0.7
79.05498	33.6
81.03413	2.7
81.07061	83.2
83.04987	4.0
83.08622	6.8
85.02906	9.4
85.06542	7.0
87.04483	1.6
91.03948	4.6
91.05489	25.6
92.05795	0.7
93.07049	36.1
95.04950	2.9
95.08613	25.7
96.04514	1.1
97.02908	4.9
97.06514	3.6
97.10172	3.1
105.07041	13.8
107.07883	1.0
107.08601	18.6
109.02827	0.9
109.06524	2.3
109.10159	15.6
109.10847	1.4
111.08086	2.1
117.07025	5.0
119.08577	8.8
121.09319	1.4
121.10152	15.5
123.08064	1.4
123.11729	11.6
125.09645	2.6
126.02190	0.8
127.03911	1.6
131.08575	7.4
132.01988	0.7
133.10136	17.9
133.11101	1.2
135.08028	0.8
135.11703	9.9
143.08603	0.9
145.04916	1.5
145.10136	4.5
147.11725	3.7
149.09579	0.8
149.13295	6.6
151.11172	5.7
153.12766	0.9
155.10719	0.7
157.10159	0.9
159.11693	5.4
160.11264	0.9
161.13277	2.4
163.06032	2.7
163.11092	1.1
165.12846	0.7
168.36427	0.7
169.12267	1.2
171.11705	0.9
173.11763	2.0
173.13324	2.4
175.14806	0.9
177.12767	1.9
180.08563	0.7
183.13869	1.4
187.13301	3.4
187.14809	1.1
195.13797	1.1
199.13368	0.9
227.16341	0.8
229.14395	3.1
243.15887	1.3
257.17603	1.2
258.08969	1.1
259.20673	1.5
261.22131	1.9
269.17471	5.5
301.20071	10.6
317.24863	0.9
335.25827	23.0
336.26212	0.9
399.23972	0.9
419.33368	1.0
429.33377	0.8
437.34845	0.8
447.60388	0.7
455.34726	0.8
485.36261	2.3
503.37344	78.3
504.37750	2.9
517.38855	3.2
529.38831	16.3
561.41522	100.0
562.41858	4.4
705.45679	1.8
723.43164	1.2
871.74292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5577
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	3.7
65.35127	0.7
67.05510	83.3
68.05830	0.8
68.42873	0.6
69.03416	3.6
69.07078	13.2
69.92130	3.1
70.39304	0.8
71.04996	20.5
73.02925	3.7
77.03929	0.9
79.05499	40.8
81.03426	4.9
81.07062	100.0
82.07407	1.0
83.01383	0.6
83.04986	6.3
83.08622	11.8
85.02909	16.8
85.06542	9.0
87.04475	2.5
88.72199	0.7
91.03968	6.6
91.04906	1.2
91.05488	32.4
93.07050	44.0
95.04962	4.7
95.08612	32.3
97.02899	7.6
97.06528	5.9
97.10178	9.5
99.04491	1.2
99.08124	1.5
103.03965	1.0
103.05506	0.8
105.04553	1.2
105.07047	17.2
107.04975	1.5
107.07877	1.3
107.08601	25.5
109.02887	1.0
109.06531	2.5
109.10164	33.0
111.04477	1.4
111.08109	3.3
111.11672	0.7
115.03948	0.9
117.07024	5.6
119.08591	13.4
121.06550	1.0
121.10146	17.1
123.08089	1.5
123.11714	12.8
125.09637	7.3
127.03939	2.6
127.58237	0.7
128.06238	1.1
129.07016	1.3
131.08580	10.2
133.10138	20.4
135.08090	1.1
135.11703	11.6
137.09662	2.8
143.08635	1.2
145.04968	2.1
145.10138	6.9
147.11696	4.9
149.13257	6.4
151.11230	6.8
153.12767	2.6
155.10677	3.6
157.10143	1.4
159.11720	7.4
161.13232	3.7
162.72746	0.8
163.06062	3.0
163.11209	3.4
163.14911	1.5
169.10179	1.1
169.12378	1.5
171.11758	1.3
173.09639	1.0
173.11766	7.4
173.13281	3.3
175.11247	0.8
175.14856	1.2
177.12714	1.9
183.11761	0.8
183.13802	3.5
185.13315	1.4
187.13327	3.8
187.14888	1.7
191.10764	1.3
193.12192	1.1
195.13898	1.6
199.13359	4.2
199.14944	1.2
201.16397	0.8
209.11758	1.9
213.14848	0.8
227.12839	1.4
227.16466	3.3
229.14357	17.9
241.19797	1.1
243.15961	1.0
243.21118	0.8
253.17947	1.0
257.17609	2.6
259.20642	1.5
261.22208	2.0
267.15955	1.2
269.17514	6.4
283.15607	1.0
301.16501	4.2
301.20020	20.1
335.25806	17.2
383.13016	0.7
383.24298	2.5
399.23929	5.7
411.32693	1.9
429.34021	0.7
437.34271	2.3
450.58295	0.8
455.26328	0.9
455.35181	1.0
485.36395	4.6
503.37357	81.6
504.37613	3.4
511.37964	2.0
517.39008	3.9
529.38940	29.6
530.39453	1.2
547.39984	1.2
553.02826	0.9
553.34015	2.4
561.41553	93.9
562.41895	5.5
705.45563	1.5
723.43066	3.1
905.35443	0.8
920.48352	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	3.0
66.28204	0.7
67.05506	63.3
69.03430	7.5
69.06729	1.3
69.07070	16.4
70.96056	1.5
71.01359	1.5
71.05011	4.0
71.08622	1.0
73.02913	7.4
77.03936	1.1
77.91995	0.8
79.05496	50.2
80.05841	0.8
80.06290	0.9
81.02980	1.3
81.03421	14.7
81.07057	60.8
82.04199	2.6
83.04984	11.3
83.08620	13.5
85.02908	18.2
85.06532	2.9
87.04465	1.2
91.03962	8.5
91.05483	36.2
91.15198	1.0
93.07046	52.2
95.04978	14.0
95.08611	37.8
96.04480	1.3
97.02312	0.9
97.02900	11.3
97.06541	8.1
97.10172	12.8
98.07338	3.8
99.04475	1.6
99.08076	1.3
101.06010	1.2
103.05489	1.6
105.04516	1.2
105.07037	22.7
107.04947	5.1
107.08599	29.9
109.02858	1.5
109.06516	4.6
109.10163	20.5
109.10870	0.7
111.04456	2.6
111.08085	5.2
113.06004	0.8
115.05465	1.4
116.04721	9.3
117.07020	12.5
119.08585	21.3
121.06504	2.4
121.10149	22.0
123.08051	4.5
123.11719	5.6
125.09630	12.7
125.34508	0.8
127.03929	4.6
127.11169	1.1
128.06194	1.7
129.05489	23.0
129.06950	6.2
130.07802	1.2
131.08571	14.2
131.50946	0.9
133.06480	1.5
133.10138	15.8
135.08067	2.8
135.11696	14.2
137.09621	3.7
137.13255	1.7
139.11176	1.5
139.87897	0.9
142.07809	1.8
143.07057	5.0
143.08507	3.0
143.10751	0.8
145.04953	4.3
145.10127	12.2
147.08051	2.0
147.11690	14.8
149.09628	3.7
149.13280	7.1
151.11148	2.0
153.12750	1.0
155.08519	1.2
155.10732	1.1
157.08594	11.2
157.10097	5.9
159.11694	8.5
161.09653	1.0
161.13286	5.2
163.06027	3.3
163.11154	4.6
163.14809	2.6
165.12720	1.9
169.10126	1.2
171.06494	1.0
171.10170	4.8
171.11694	2.4
173.09712	1.3
173.11760	1.8
173.13219	4.5
175.11157	4.1
175.14818	1.7
179.14282	0.9
181.12212	1.7
183.11600	1.6
185.11752	1.8
185.13231	1.6
187.14799	2.3
189.11256	4.8
191.10704	1.3
193.12228	9.5
197.13211	0.8
199.13310	3.6
199.14905	1.3
200.14070	1.3
201.16370	1.5
209.11703	4.4
211.13278	7.6
213.16454	1.0
217.14220	1.1
219.17424	1.1
227.12758	8.3
229.14256	4.5
241.19611	1.0
243.21021	3.0
253.14261	0.8
255.15886	1.4
258.08759	1.3
259.20517	3.4
261.22134	12.7
267.15854	7.0
275.19968	1.5
277.21805	3.8
283.15363	8.2
285.17001	3.7
301.16470	61.5
315.23053	1.9
317.24567	2.1
333.24170	1.6
335.25809	75.4
336.26184	2.2
351.25177	1.3
373.23520	0.8
435.32700	1.0
451.32098	1.5
459.34930	0.8
469.32959	1.1
512.62567	0.8
515.36871	0.8
525.35693	1.9
527.37305	6.4
543.36682	11.0
544.26501	0.8
544.36829	1.9
545.38300	2.9
561.37860	100.0
562.37860	3.9
579.38550	1.4
743.64581	0.9
809.89227	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	4.0
67.05507	52.8
69.03431	6.0
69.06686	0.6
69.07066	12.5
69.73914	2.5
69.74328	1.3
71.01333	1.0
71.05005	3.5
71.08613	1.1
73.02914	7.7
77.03912	0.9
79.05495	39.2
80.05822	0.6
80.06265	1.0
81.02930	0.6
81.03419	13.8
81.07057	48.3
82.04189	2.7
82.90070	0.5
83.01330	0.6
83.04984	10.8
83.08149	0.8
83.08621	12.1
84.05752	0.6
85.02905	16.3
85.06541	2.2
87.04470	1.0
91.03965	6.9
91.04493	0.8
91.04903	1.0
91.05484	29.2
93.07047	37.8
95.04971	12.3
95.08607	33.3
97.02894	10.5
97.06528	6.5
97.10164	10.4
98.07321	3.6
98.21485	1.0
99.04443	1.2
99.08092	1.1
101.06021	1.6
103.05478	0.9
105.04498	1.3
105.06305	0.8
105.07028	19.5
107.04971	5.0
107.08598	23.7
109.02859	1.3
109.06508	3.4
109.10161	20.1
109.10932	0.7
111.04455	1.3
111.08075	5.0
112.08604	0.5
113.09586	0.6
115.03941	1.0
115.05482	1.9
115.07579	0.6
116.03972	0.9
116.04719	10.0
117.07009	8.4
119.08584	18.0
120.09399	0.8
121.06528	1.7
121.10143	15.0
123.04414	1.0
123.08080	4.7
123.11687	3.7
125.09629	12.2
127.03918	2.5
127.11183	0.9
128.06241	0.8
129.05479	26.3
129.06935	6.0
130.07802	1.1
131.08577	12.2
133.06508	1.3
133.10129	11.6
135.08047	2.9
135.11685	10.2
136.08783	0.6
137.09612	3.9
137.13271	1.1
141.06955	0.6
142.07803	0.6
143.07051	6.4
143.08548	2.1
145.04936	3.2
145.06551	0.6
145.10126	9.8
147.08015	1.4
147.11693	10.2
149.09622	2.9
149.13271	6.5
151.11185	1.8
153.09102	1.2
153.12755	1.4
155.10712	0.8
157.08603	13.8
157.10118	4.8
159.11681	5.3
160.11264	2.6
161.13246	4.6
163.06047	4.3
163.11182	4.7
163.14861	2.8
164.11916	0.8
164.55598	0.5
165.12772	2.6
169.10106	1.0
171.06459	0.9
171.10170	4.6
171.11702	2.2
173.04375	0.6
173.09578	0.6
173.11763	2.6
173.13263	4.3
175.11169	3.8
175.14827	2.1
179.14426	0.6
181.12181	1.6
183.11742	0.8
184.07338	0.8
185.11716	1.4
185.13203	1.0
187.14796	2.0
189.11200	5.6
189.12720	0.9
189.16422	1.0
191.10713	0.7
193.12253	9.4
195.13881	0.6
199.13306	3.4
199.14841	0.9
200.14043	1.8
201.16440	0.8
209.11749	2.1
210.12482	1.0
211.13300	6.1
211.15005	0.6
219.13782	0.7
227.12801	10.4
229.14285	5.2
241.19662	1.2
243.21051	3.2
251.20157	0.6
255.16017	1.4
258.09006	2.6
259.20523	2.7
261.22119	9.4
267.15948	7.9
269.17477	1.3
277.21695	4.9
282.14532	0.6
283.15463	3.9
285.16837	3.0
299.23740	1.1
301.16461	100.0
302.16754	1.5
315.23209	1.6
317.24719	2.2
327.23318	0.8
333.24191	1.3
335.25815	62.5
336.26172	2.4
351.25186	1.5
389.27060	1.0
409.25687	0.6
423.27454	0.7
433.30249	0.7
435.32434	0.8
487.33926	0.9
489.35730	1.6
509.36334	0.8
527.37451	6.9
529.37042	0.7
543.36591	3.1
544.01129	0.6
544.38110	1.1
545.38202	3.3
546.38654	0.9
561.37854	48.1
562.37866	2.3
573.51050	0.6
579.38776	1.8
878.73553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.7
67.05507	52.3
69.03419	3.9
69.06723	1.1
69.07068	11.4
69.34975	1.2
69.35392	4.8
69.69562	0.7
71.01366	0.9
71.04994	2.0
71.08636	21.0
73.02913	3.1
75.52983	0.7
79.05495	17.6
81.03424	5.3
81.07057	28.3
83.04986	3.8
83.08147	1.3
83.08615	15.9
85.02910	20.4
85.06525	2.0
85.10188	10.1
86.09697	1.8
87.04469	5.1
89.06017	1.6
91.03963	5.5
91.05490	11.2
93.07052	9.5
95.04975	2.9
95.08612	23.2
97.02376	0.7
97.02909	6.8
97.06513	2.6
97.09550	1.3
97.10169	22.6
99.04434	1.4
99.08075	1.1
99.11694	0.7
103.03925	1.6
103.07566	1.1
105.07039	4.0
107.04949	2.7
107.08592	10.7
109.10161	37.9
111.04464	1.5
111.08078	2.5
111.11710	1.3
117.07018	2.0
119.08582	4.1
119.56681	0.7
121.10160	4.2
123.08123	0.8
123.11732	3.4
124.99973	1.7
125.08759	1.4
125.09637	17.4
127.03903	2.4
129.07019	0.8
131.08580	2.3
133.10155	1.9
135.11676	3.0
137.09621	1.9
137.13255	2.2
139.04094	0.7
143.08560	1.0
143.10683	3.9
144.08156	1.0
145.04971	2.2
145.10136	2.6
147.08131	0.9
147.11652	0.7
149.09616	1.4
153.12747	1.4
155.10667	2.2
157.10220	0.9
159.98000	0.7
160.11212	5.1
163.06050	2.4
163.11169	3.1
173.09589	0.8
173.11766	9.7
175.55441	0.9
176.27353	0.8
181.12202	1.0
184.07341	3.4
185.07698	0.7
189.11237	1.0
191.10655	2.9
193.12244	1.2
199.13283	9.9
199.14999	0.9
209.11694	6.8
217.14375	1.4
223.13266	1.8
227.12796	9.1
229.14359	49.5
239.23795	3.5
257.13882	1.2
257.24768	2.0
258.08871	4.6
267.15958	2.6
269.17654	0.8
283.15366	6.2
297.16974	3.5
299.15021	1.5
300.15204	1.9
301.16476	31.5
313.27377	100.0
314.27661	2.7
319.17511	1.3
335.25861	5.5
341.26880	1.9
437.36316	6.7
455.37357	17.2
467.37378	28.7
468.37662	0.9
489.35635	1.6
505.38712	1.0
521.38031	2.7
539.39392	21.3
557.39380	5.4
701.44324	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03877	1.2
67.05425	14.5
69.03351	3.0
69.06992	3.6
71.04906	2.2
75.49126	0.6
79.05405	19.8
81.03331	47.0
81.06971	13.9
81.07484	1.1
83.04891	3.7
83.08619	14.1
85.02821	1.7
85.06494	1.3
86.12992	0.6
89.08504	0.6
91.03906	1.1
91.05484	14.7
93.07047	10.8
95.04975	18.2
95.05534	1.0
95.08604	7.4
97.02782	1.9
97.06439	2.6
97.10178	13.4
105.07043	9.6
107.04964	12.7
107.08607	9.4
109.06522	8.3
109.10162	4.6
111.04364	1.4
111.08076	4.3
113.87074	0.6
115.05379	1.4
117.07005	4.8
119.04817	1.3
119.08591	9.5
121.06506	10.1
121.10143	7.0
123.04312	2.2
123.08060	3.8
125.05904	1.2
125.09637	13.0
128.06161	1.0
129.07016	7.6
131.04828	2.3
131.08569	8.4
133.06490	4.1
133.10150	4.3
135.08084	4.7
135.11615	1.4
137.05824	0.8
137.09523	1.3
141.06897	1.7
142.07741	1.2
143.08455	2.6
145.06473	5.8
145.10130	5.0
147.04305	2.0
147.08098	4.7
147.11696	6.0
149.09633	5.5
153.09114	3.1
153.12714	0.9
155.08453	2.3
157.06474	1.3
157.10139	6.4
159.07991	2.0
159.11549	1.9
161.06003	1.1
161.09512	1.8
163.05844	1.1
163.11191	3.8
165.12721	1.0
167.10626	0.9
169.06430	0.8
169.10056	0.9
171.07964	1.7
171.10161	1.3
171.11607	1.8
173.09576	1.6
173.13112	0.8
175.11212	5.7
177.12634	0.9
181.10062	1.3
185.09552	1.5
185.13185	0.7
187.11186	1.0
187.14702	0.9
189.09509	0.6
189.11104	5.0
189.12694	2.2
191.10442	0.8
191.14139	1.2
193.10435	1.1
193.12238	16.0
195.11572	1.4
197.09514	0.7
197.13142	1.1
199.11133	1.7
203.14134	0.9
205.12158	1.8
205.15720	0.6
207.11644	1.1
207.13522	0.8
209.13277	0.8
211.11137	0.7
211.13159	1.3
213.12616	1.0
215.14258	2.1
217.12167	1.5
219.13681	2.8
223.11139	0.7
223.13229	1.2
225.12703	1.1
225.42007	0.6
227.12714	2.8
231.13791	1.3
231.32530	0.7
233.15326	4.6
235.13063	1.3
237.12596	1.7
237.14696	0.8
243.13773	0.9
249.14763	1.3
251.14468	0.7
255.13699	2.1
257.15338	0.9
259.13263	1.5
261.14908	0.7
267.15924	42.9
268.16214	1.5
271.16766	1.1
273.14841	6.5
275.16376	1.0
283.35278	0.7
293.17612	1.1
309.17053	1.1
339.23425	2.9
349.21478	3.8
357.24310	1.6
367.22736	11.1
385.23782	20.0
403.24863	7.3
405.24200	0.6
441.26370	8.4
459.27432	100.0
460.27643	3.7
477.28503	89.5
478.28897	2.7
481.15030	0.7
491.30084	11.4
492.29962	0.7
501.28674	6.0
509.31238	5.0
513.28894	2.0
519.29901	0.8
531.29462	1.9
543.29767	2.3
555.29773	2.0
567.29285	5.0
585.31012	1.4
602.83691	0.7
603.31555	1.4
918.48822	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5238
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34511	0.2
67.05505	1.5
69.03429	2.7
69.07086	0.7
70.80346	0.2
71.01366	0.5
71.05006	0.8
71.08644	0.9
71.51634	0.4
73.02922	2.8
78.81001	0.3
79.05486	1.3
81.03413	3.2
81.07052	1.4
83.08620	0.9
85.02904	4.8
85.10194	0.6
86.09734	0.4
87.04493	0.5
91.03950	2.1
91.05519	1.2
93.07066	1.1
95.04980	0.4
95.08612	1.2
97.02893	4.1
97.06539	0.4
97.10157	0.4
99.04493	0.8
101.02393	1.8
103.03972	0.5
105.07066	0.8
107.08636	0.7
109.02901	0.6
109.06521	0.2
109.10193	0.6
111.08110	0.4
112.10658	0.2
119.08604	0.7
121.10187	0.8
127.03918	1.6
129.05450	0.3
129.07027	0.3
131.08618	0.5
133.10185	0.4
145.05000	0.5
147.11760	0.7
149.09636	1.3
157.10176	0.4
160.11304	0.7
165.12912	0.3
175.11214	0.4
184.07417	1.3
185.04317	0.8
193.12347	0.7
203.05362	0.7
225.14943	0.4
243.08409	1.8
258.09027	0.7
267.16132	0.5
283.15100	1.9
313.27554	0.9
339.18011	0.7
347.09561	2.1
363.09134	0.4
365.10785	1.0
405.13684	5.2
405.18649	0.4
469.21439	0.5
497.30890	4.3
501.23047	9.0
502.23874	0.4
659.36157	3.9
663.28302	7.7
757.47314	2.0
919.52386	100.0
920.52594	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	914.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	0.5
67.05507	11.8
69.03444	2.4
69.06743	0.4
69.07069	5.4
70.53322	0.5
70.90199	1.0
71.04955	0.9
71.08636	18.1
72.94387	0.4
73.02881	1.6
79.05501	5.8
81.03421	55.6
81.07057	13.0
83.04969	2.7
83.08621	15.4
85.02904	4.5
85.06523	1.1
85.10184	11.0
87.61559	0.5
89.05999	1.3
91.03947	3.7
91.04992	0.6
91.05481	8.4
93.07044	5.3
95.04397	0.7
95.04974	15.5
95.08611	16.0
97.02906	3.4
97.06509	1.1
97.10175	4.6
99.08052	0.9
99.11698	0.7
103.07571	0.5
105.07041	6.9
107.04942	4.2
107.08610	2.6
109.02893	0.5
109.06480	2.0
109.10163	6.4
111.04406	1.4
111.08084	4.2
111.11708	0.7
113.05951	0.6
117.07021	0.6
119.04883	0.7
119.08582	6.9
120.50774	0.5
121.06464	1.8
121.10155	4.0
123.04421	1.7
123.08058	1.2
123.11732	2.8
127.03865	1.1
129.06984	4.7
131.08569	5.5
133.06465	2.0
133.10123	2.6
135.11711	0.5
137.09625	1.0
137.13229	1.2
142.07770	2.0
145.04950	1.3
145.10123	0.9
147.08028	1.9
147.11699	4.5
149.09607	2.7
157.10143	5.7
163.06020	2.5
163.11168	1.3
165.12746	1.6
175.11169	7.2
193.12251	23.0
211.13251	1.0
221.15591	0.5
235.13313	1.6
239.23744	1.1
240.18214	0.5
249.14830	1.4
257.24802	2.1
259.13254	1.2
267.15921	100.0
268.16281	2.0
273.14902	0.7
301.14459	2.7
309.16995	2.2
313.27371	97.3
314.27734	2.0
319.15390	0.8
328.42395	0.6
375.18332	0.5
391.64505	0.5
505.38910	82.9
506.38974	3.4
523.40027	1.5
547.39941	5.7
561.94781	0.5
565.40582	1.0
589.41064	1.1
601.40692	2.5
613.40985	2.2
631.41931	2.6
649.43353	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.8
67.05508	16.2
69.03432	3.3
69.07071	7.3
70.97330	0.4
70.97649	0.7
71.05009	2.6
71.08637	15.1
72.08102	0.5
73.02928	2.4
79.05499	11.8
81.03423	32.7
81.07063	20.3
83.04990	8.2
83.08623	14.6
85.02912	21.0
85.06503	0.8
85.10181	9.3
91.03960	4.4
91.05486	16.1
93.07052	7.8
95.04980	13.7
95.08611	14.5
95.09526	0.5
97.02906	6.0
97.06534	2.1
97.10175	5.3
99.04457	0.6
99.08056	0.9
99.11677	0.5
103.07550	0.7
103.64451	0.4
105.07036	11.4
107.04966	3.4
107.08593	3.9
109.02850	0.6
109.06545	2.6
109.10159	5.6
111.04440	1.0
111.08093	5.4
111.11674	1.8
113.05976	1.1
115.05470	0.5
117.06986	1.1
119.04881	0.7
119.07812	0.7
119.08585	9.9
121.06468	0.7
121.10141	5.0
123.08031	1.5
123.11737	2.6
125.09565	0.7
127.03927	2.4
128.06161	0.6
129.07014	5.0
131.08578	6.5
133.06471	1.9
133.10150	6.2
137.09595	1.2
137.13251	0.8
142.07738	1.7
143.86995	0.4
145.04938	2.0
145.10153	1.0
147.08038	1.0
147.11700	8.0
149.09633	3.1
151.11137	0.8
157.10129	8.7
163.06070	2.3
165.11330	0.4
165.12735	1.5
172.54649	0.5
175.11191	8.1
184.07314	0.7
193.12256	26.1
202.15996	0.8
211.13306	43.1
212.13562	1.0
249.25697	0.5
267.15933	14.7
267.26791	0.7
285.16980	60.2
286.17398	1.0
300.13635	0.6
332.49539	0.5
341.30521	56.7
342.30832	1.5
411.05054	0.5
493.38861	0.9
501.40839	0.6
533.42029	13.7
534.42426	0.9
551.43115	100.0
552.43213	4.6
620.96356	0.5
846.72223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	0.6
68.05053	0.5
69.08241	0.4
69.17728	0.4
70.02960	2.2
70.06596	100.0
71.06920	0.7
71.12595	0.4
72.08162	15.0
74.58565	0.4
79.05496	0.8
81.03410	1.3
82.06613	0.7
85.04025	4.0
87.05597	5.5
88.03997	7.6
91.04909	0.9
91.05480	17.8
95.04980	1.4
95.06128	1.2
97.07661	0.6
98.02437	0.9
98.06090	0.8
99.09214	1.4
102.97060	0.4
103.05467	2.4
105.03394	1.2
106.06569	1.9
107.04964	9.1
110.02450	0.8
115.08736	0.8
116.04983	1.7
117.03400	0.6
117.05777	1.1
118.06550	33.9
119.04948	3.5
119.07310	1.5
120.08108	9.6
121.02879	0.9
121.06599	0.7
121.07620	0.5
122.06035	7.1
123.04440	2.5
124.60963	0.5
125.07125	20.1
127.08697	2.1
129.06976	0.5
130.06535	1.6
131.04938	1.3
132.04456	2.7
132.08133	0.7
133.05278	0.5
134.06021	13.7
135.04431	1.9
135.06755	0.7
136.07607	9.2
136.08694	1.4
137.07130	5.2
138.07877	1.3
139.08722	0.6
140.07050	0.6
144.08087	0.5
145.06525	0.5
146.06017	66.8
147.04404	1.5
147.06366	1.0
148.07637	1.0
149.07115	1.9
150.05556	1.0
150.06636	2.7
150.07803	0.9
151.08670	0.5
152.08195	1.2
153.01837	1.0
153.06621	0.8
155.08549	0.5
156.04439	0.9
158.06021	0.7
160.03946	1.1
160.07552	0.7
160.11240	2.3
161.07230	0.7
162.05510	13.7
163.08696	1.2
164.08237	1.1
165.05571	3.0
165.09004	4.8
167.08205	3.2
168.06573	0.6
170.09622	0.5
171.07628	2.6
172.07574	1.2
172.11270	2.4
173.07117	0.9
174.05548	2.8
174.09135	0.6
174.12831	2.0
176.10684	1.2
177.06644	0.9
179.08543	0.9
182.08157	1.4
183.08022	1.3
185.09236	13.5
187.12347	0.7
188.03423	1.0
188.07076	2.6
188.10699	3.4
189.06696	1.0
190.12296	1.9
191.08177	0.9
192.06511	1.1
193.08563	1.1
194.09351	0.9
195.07736	3.8
196.06079	7.3
196.08452	2.0
197.07204	1.0
197.10750	1.5
198.05527	3.6
199.12363	1.1
202.08685	2.2
205.09805	0.5
205.13284	0.8
206.09573	0.5
207.07985	1.6
209.10768	0.6
210.08734	0.8
211.07576	0.6
211.09518	1.4
213.08722	5.8
215.08264	0.6
216.06679	4.2
216.10216	6.3
217.06113	1.4
217.13365	14.2
222.09099	1.3
223.07489	0.9
224.11987	5.2
225.10243	6.2
226.13390	2.4
227.11861	0.9
229.29106	0.5
231.11353	1.6
233.12950	0.8
234.09184	1.4
235.07480	0.8
235.14403	3.5
236.10722	1.0
237.08565	2.1
238.00291	0.4
240.10216	1.3
243.11357	2.2
244.09694	2.8
245.12874	36.1
246.13129	0.8
248.10283	1.0
249.08678	3.5
250.08549	1.0
252.11476	15.1
254.10443	0.9
254.12920	12.4
259.07178	4.1
259.10779	0.7
261.09409	0.8
261.12375	12.9
262.07053	1.8
262.09106	0.7
267.11307	0.5
269.12915	0.6
270.12457	0.7
274.25302	0.5
276.09778	8.8
279.09494	2.5
280.10815	6.5
281.08432	0.5
286.10855	0.7
287.06903	0.9
287.10275	3.2
289.11966	0.9
294.12332	1.8
296.09076	1.0
296.12515	7.0
297.12408	1.6
298.11874	9.0
304.09232	0.7
305.07764	1.1
312.13544	0.7
314.15048	8.2
322.11978	3.6
323.10187	0.7
332.16135	0.9
337.11868	0.6
340.12958	12.6
342.18118	0.8
349.11426	0.6
358.13995	90.6
359.14420	3.5
366.14444	0.6
367.12808	1.4
375.16638	4.3
376.14978	0.8
378.17975	0.5
381.41183	0.5
383.12512	0.9
400.15134	2.4
401.14523	1.5
406.17813	2.5
412.15195	0.7
424.15103	0.6
430.16882	0.5
440.14450	0.5
457.16727	2.2
457.21271	2.1
485.16577	1.7
519.18567	0.8
521.19513	0.5
531.52722	0.4
539.21179	1.0
545.19623	0.5
547.17432	0.6
556.24030	7.9
574.26361	0.9
582.22015	0.6
592.27820	4.2
600.23895	1.0
601.22742	0.5
618.25757	8.8
656.25317	0.6
656.80554	0.5
701.28943	1.8
729.28540	0.9
732.28790	0.6
733.27930	0.8
761.81390	0.5
787.28113	0.9
798.33325	1.3
814.30109	1.4
895.36334	1.0
896.33521	0.6
913.37134	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	909.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	0.4
67.05505	4.7
69.03429	4.4
69.07069	1.1
70.17579	1.7
71.01366	0.7
71.04995	0.8
72.08184	0.4
73.02927	4.6
79.05502	3.4
81.03425	3.5
81.07062	3.6
82.07466	0.4
83.05006	0.7
83.08662	0.6
85.02909	6.8
86.09760	0.4
91.03954	4.8
91.05484	3.3
91.99185	0.4
93.07051	3.4
95.05006	1.0
95.08609	3.5
97.02895	6.5
97.10199	0.5
98.20816	0.4
99.04501	1.3
102.64546	0.4
103.03956	0.5
105.07066	1.7
107.04948	0.5
107.08583	2.0
109.02884	1.1
109.10152	1.9
111.08078	0.5
115.03960	0.6
117.07064	0.6
119.08614	1.0
121.06639	0.4
121.10176	1.2
123.11755	0.4
127.03906	2.0
129.07088	0.4
131.08617	1.2
133.10173	1.1
135.11711	0.8
145.10147	0.7
147.11717	0.9
149.13283	0.7
159.11696	0.6
171.11761	0.6
175.11261	0.5
184.07397	1.0
185.04315	1.2
193.12288	0.6
203.05402	1.1
211.13342	0.4
243.08362	2.2
251.12553	0.8
307.15146	0.5
335.25943	0.8
347.09637	1.6
365.10892	0.9
405.13660	4.9
469.20477	3.5
519.29114	4.9
631.25769	3.7
681.34668	6.4
721.37860	1.7
723.39185	1.8
739.38214	1.4
747.43085	1.0
909.48230	100.0
910.48047	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	909.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03959	0.4
67.05505	4.7
69.03429	4.4
69.07069	1.1
70.17579	1.7
71.01366	0.7
71.04995	0.8
72.08184	0.4
73.02927	4.6
79.05502	3.4
81.03425	3.5
81.07062	3.6
82.07466	0.4
83.05006	0.7
83.08662	0.6
85.02909	6.8
86.09760	0.4
91.03954	4.8
91.05484	3.3
91.99185	0.4
93.07051	3.4
95.05006	1.0
95.08609	3.5
97.02895	6.5
97.10199	0.5
98.20816	0.4
99.04501	1.3
102.64546	0.4
103.03956	0.5
105.07066	1.7
107.04948	0.5
107.08583	2.0
109.02884	1.1
109.10152	1.9
111.08078	0.5
115.03960	0.6
117.07064	0.6
119.08614	1.0
121.06639	0.4
121.10176	1.2
123.11755	0.4
127.03906	2.0
129.07088	0.4
131.08617	1.2
133.10173	1.1
135.11711	0.8
145.10147	0.7
147.11717	0.9
149.13283	0.7
159.11696	0.6
171.11761	0.6
175.11261	0.5
184.07397	1.0
185.04315	1.2
193.12288	0.6
203.05402	1.1
211.13342	0.4
243.08362	2.2
251.12553	0.8
307.15146	0.5
335.25943	0.8
347.09637	1.6
365.10892	0.9
405.13660	4.9
469.20477	3.5
519.29114	4.9
631.25769	3.7
681.34668	6.4
721.37860	1.7
723.39185	1.8
739.38214	1.4
747.43085	1.0
909.48230	100.0
910.48047	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	908.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	0.8
67.05509	19.8
69.03432	3.8
69.07075	20.3
69.20937	3.5
69.21339	0.9
71.04995	2.9
71.08627	2.4
73.02917	2.4
79.05499	15.7
81.03423	36.8
81.07063	25.5
81.31778	0.6
83.04984	9.5
83.08624	24.7
85.02911	21.4
85.03276	0.4
85.03435	0.7
85.06545	1.6
85.10181	1.3
86.57196	0.5
91.03962	5.8
91.05486	16.2
93.07053	12.7
95.04977	13.4
95.08611	17.6
97.02889	6.1
97.06536	3.1
97.10181	9.7
99.04468	0.7
99.08112	1.1
105.07039	12.2
107.04929	3.5
107.08595	5.7
109.06531	2.7
109.10167	8.0
111.04486	1.3
111.08091	5.5
111.11726	2.6
113.05994	1.6
115.05480	0.7
117.07036	1.0
119.04944	0.5
119.08592	10.0
121.06507	0.6
121.10148	9.7
123.08048	0.8
123.11732	2.6
125.09648	1.1
127.03938	2.3
128.38544	0.5
129.07007	6.0
131.08574	5.1
133.06537	1.0
133.10136	6.1
135.11737	3.9
137.09633	1.7
137.13298	0.8
139.11218	0.8
142.07771	1.1
145.04977	1.8
145.10106	1.2
147.08075	1.9
147.11693	8.9
149.09639	2.6
149.13277	1.5
157.10139	7.7
163.06030	2.7
163.14828	0.9
165.12762	2.2
168.53987	0.5
175.11201	8.7
180.28264	0.4
193.10417	0.7
193.12253	26.2
211.13304	41.5
212.13693	0.5
229.14528	0.5
231.96288	0.4
247.24315	0.7
265.25345	1.7
267.15915	14.9
271.19791	0.6
285.16983	59.7
286.17285	1.2
291.59329	0.5
292.39423	0.5
296.60492	0.5
339.28952	56.3
340.29379	1.2
349.87823	0.6
410.40585	0.5
499.12195	0.5
531.40436	13.3
532.41003	0.5
549.41534	100.0
550.41736	3.9
693.46100	0.8
718.98688	0.5
737.35199	0.7
738.35443	1.8
764.13306	0.5
824.38647	0.6
897.77588	0.6
908.47888	0.8
911.53760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	14.2
69.03405	1.6
69.07076	14.6
71.01336	0.8
71.04966	2.0
71.08637	3.4
71.51686	1.1
73.02926	2.8
79.05496	12.1
81.03417	6.6
81.07059	17.7
83.01347	5.5
83.04985	5.1
83.08625	16.6
85.02448	0.8
85.02911	10.9
85.06525	1.4
85.10172	1.1
91.03958	6.6
91.04987	0.5
91.05489	6.8
93.07048	16.2
94.07280	0.5
95.04980	4.0
95.08614	15.2
97.02892	5.8
97.06535	3.6
97.10180	7.3
99.04444	2.0
99.08086	1.2
105.07029	5.0
107.04950	4.5
107.07980	0.8
107.08600	8.5
109.02854	1.0
109.06528	3.6
109.10157	6.5
111.04411	1.1
111.08064	1.5
111.11710	1.2
113.57626	0.5
117.07017	4.2
119.08601	5.1
121.06481	1.4
121.10146	7.9
123.08070	4.6
123.11687	1.9
125.05978	0.9
125.09599	1.5
127.03904	1.8
128.31110	0.5
129.06973	0.7
131.08585	2.5
133.10127	1.2
135.07982	1.4
135.11694	10.8
137.09602	0.9
139.11189	0.9
143.08542	0.7
145.05003	3.2
145.06488	0.5
145.09048	0.9
145.10127	9.4
147.08057	1.1
149.13249	1.7
153.12730	2.0
155.08554	0.7
160.11224	1.8
163.06027	2.6
163.11189	15.3
163.14844	1.0
173.09616	2.2
181.12206	2.2
184.89835	0.6
191.10675	1.2
209.11699	4.5
227.12788	3.3
247.24168	0.6
258.08945	1.4
265.25150	1.2
283.15414	100.0
284.15717	1.5
339.28964	70.5
340.29367	1.7
547.39990	52.0
548.40295	2.0
588.20001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03948	1.0
67.05509	19.2
69.03440	3.6
69.07070	20.0
71.04991	3.0
71.08641	3.0
73.02921	2.6
79.05497	15.5
81.03422	35.1
81.07056	24.8
83.04984	8.1
83.08622	25.0
85.02908	21.7
85.06540	1.9
85.10173	1.4
87.04513	0.5
91.03958	5.9
91.05485	17.3
93.06477	1.0
93.07048	13.3
95.04967	14.9
95.08611	17.3
97.02905	5.4
97.06541	3.6
97.10183	8.9
98.20689	0.8
99.04469	0.6
99.08097	1.1
105.07040	12.4
105.48312	0.6
107.04951	4.2
107.08598	7.9
109.02888	0.6
109.06516	2.5
109.10159	7.9
111.04452	1.6
111.08095	6.7
111.11720	1.4
113.06019	2.0
113.09678	0.7
115.05466	0.9
117.07031	0.5
119.08582	10.7
121.06496	1.1
121.10146	9.7
123.08066	1.4
123.11748	2.4
125.09634	1.0
127.03947	2.2
127.07652	0.6
129.07014	5.7
131.08577	7.5
133.06497	1.4
133.10139	6.5
135.11716	4.1
137.09637	1.1
137.13271	0.9
142.07793	1.8
145.04950	2.5
145.10098	1.3
147.08049	1.5
147.11710	8.3
149.09630	3.2
149.13272	1.9
151.14908	0.6
157.10127	7.5
157.11337	0.7
163.06013	2.7
163.14850	0.6
165.12761	1.8
175.11197	10.3
181.35968	0.4
181.37576	0.4
193.12253	25.3
194.12624	1.1
211.13300	43.6
212.13524	0.7
214.14751	0.4
247.24222	0.6
249.14914	0.8
265.25357	1.7
267.13007	0.7
267.15930	15.5
285.16974	59.4
286.17410	1.6
339.28958	54.8
340.29373	1.9
531.40552	14.6
543.50470	0.5
549.41534	100.0
550.41833	6.1
595.41492	0.5
655.17743	0.5
738.35590	1.3
908.49957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	0.1
68.99801	0.2
69.03416	0.3
69.07079	0.2
69.35400	0.7
70.06597	0.5
72.08179	0.1
79.01859	5.1
79.05518	0.1
81.03417	0.7
81.06599	0.1
81.07037	0.1
83.17400	0.1
84.08151	0.6
86.09708	1.4
87.00832	0.2
87.05602	0.1
91.05482	0.2
97.02904	1.5
99.04393	0.1
107.01320	1.2
107.04958	0.2
109.02898	0.6
119.04928	0.1
121.02861	0.1
123.00784	0.2
125.02357	2.9
127.02973	0.1
127.03931	2.7
129.10239	0.3
136.07573	0.2
137.02348	0.1
139.03882	0.1
143.03412	5.6
147.04449	0.3
153.01843	100.0
153.02881	5.7
154.02159	1.1
157.13336	0.1
159.04329	0.1
163.03932	0.9
165.01874	0.2
165.05379	0.1
171.02925	0.7
175.03929	0.1
177.05457	0.1
179.03429	0.2
191.01694	0.1
191.03423	2.5
193.05070	0.1
205.04970	0.2
207.02899	0.2
209.04475	0.9
213.03886	0.5
213.05762	0.1
219.02911	0.4
221.04315	0.2
233.04399	0.5
237.03957	6.0
261.03964	0.9
267.05096	0.1
268.16235	0.1
279.04984	1.6
287.05521	4.3
288.05930	0.2
297.06058	1.2
305.03006	0.4
449.07251	2.5
449.48422	0.1
450.07620	0.1
467.08069	0.2
619.09308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.563
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03955	5.2
67.05509	100.0
69.03431	10.3
69.07075	47.5
69.07467	1.8
71.01330	1.9
71.02698	2.1
71.05002	16.4
73.02916	2.3
79.05498	59.7
81.03419	19.0
81.07061	79.3
83.04985	11.2
83.08620	17.2
85.02910	6.6
85.06547	5.6
86.09721	2.1
91.03974	2.4
91.05486	64.3
93.07049	66.4
95.04983	15.7
95.08609	42.9
97.02903	6.2
97.06538	25.6
97.10181	11.6
99.04452	1.7
99.08095	2.1
101.05964	1.3
103.05500	2.0
105.04515	2.4
105.07036	46.4
107.04971	12.2
107.08598	37.0
109.02898	2.6
109.06530	8.8
109.10165	36.4
111.04434	2.8
111.08087	8.9
115.05441	3.1
115.07513	1.1
117.07031	20.6
119.04948	1.1
119.06015	1.1
119.08591	34.5
121.06526	6.7
121.10155	20.3
123.04469	1.5
123.08100	5.4
123.11722	5.0
125.09636	11.0
127.03922	2.1
127.07577	1.1
128.06229	3.1
129.05484	3.6
129.07031	10.5
131.04877	1.0
131.08577	24.0
133.06505	3.3
133.10138	26.0
133.11099	1.8
135.08073	8.4
135.11700	17.8
137.09633	11.6
139.07571	1.0
139.11169	2.5
141.06953	1.4
142.07747	1.3
143.08566	9.7
145.06485	2.2
145.10130	18.5
146.10861	1.1
147.08083	2.8
147.11710	14.2
149.09637	22.2
149.10776	2.3
149.13275	13.4
151.11145	2.4
153.09154	1.8
154.07874	1.2
155.08559	4.4
155.10658	3.3
157.10130	10.0
159.08066	2.4
159.11700	19.0
161.09618	3.7
161.13312	7.1
163.11162	10.5
165.06950	1.1
165.09135	1.5
165.12781	1.3
167.08575	2.2
169.10133	4.1
171.10349	1.7
171.11729	8.1
173.04428	2.4
173.09622	2.5
173.10318	1.4
173.11748	11.4
173.13266	5.8
173.24643	1.1
175.11163	3.2
175.14828	2.5
177.12781	5.3
179.14337	3.9
181.10091	1.1
181.12257	1.5
183.11745	5.1
184.07407	1.8
185.11722	1.4
185.13281	4.1
187.11201	3.2
187.14861	2.5
189.11201	3.5
189.12787	2.0
191.14363	1.2
193.12198	3.2
195.11676	3.1
195.13812	5.9
197.13309	3.4
199.13206	2.2
199.14874	1.9
201.12770	1.4
203.14297	1.5
205.12225	1.4
209.13297	2.2
211.13228	1.3
213.14723	1.4
215.14394	1.2
227.12770	9.3
227.17946	1.1
229.14334	15.2
229.19382	1.2
233.15353	1.4
237.16394	1.6
239.18085	2.4
241.19624	2.6
243.15901	1.1
247.20543	3.2
249.14709	1.3
255.15805	2.3
257.19073	8.5
259.20590	5.5
261.22232	1.4
267.15775	5.6
269.17462	18.7
273.18457	4.9
275.20068	29.7
289.21689	2.1
291.19553	8.8
293.21201	2.7
313.21777	1.5
331.22580	1.7
333.24408	5.0
347.22308	1.6
349.19769	1.8
349.23749	20.7
365.23318	5.2
367.24863	1.4
381.26352	1.5
383.24158	4.1
409.25745	3.1
423.27451	20.3
431.27972	3.4
437.29517	2.1
445.29440	2.3
449.29257	2.9
453.34167	1.1
461.28976	1.3
463.30826	5.0
485.32785	1.2
503.33667	7.8
521.34680	1.7
525.35651	2.7
527.37360	8.3
529.35620	2.0
543.36755	15.5
545.38074	3.5
559.36383	2.2
561.37671	1.7
567.31305	2.3
623.42847	6.7
641.44098	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	4.3
67.05511	100.0
69.03437	7.9
69.07076	36.9
69.79015	4.0
71.01351	1.9
71.05000	5.4
73.02940	4.4
79.05499	45.3
81.03423	20.9
81.07062	60.8
83.01376	0.7
83.04993	12.7
83.08154	1.1
83.08627	16.5
84.13737	0.8
85.02914	12.8
85.06555	4.9
86.09739	0.9
87.04466	4.0
91.03958	1.8
91.05488	47.4
92.06296	0.8
93.07050	39.9
95.04984	14.7
95.08616	34.8
97.02917	6.8
97.06544	12.5
97.10174	15.6
99.04440	1.5
99.08087	1.6
101.02407	1.0
103.03920	1.6
103.05519	1.4
105.04533	2.4
105.07038	30.4
105.14674	0.8
107.04964	9.0
107.08603	24.4
109.02852	1.0
109.06543	4.7
109.10165	56.2
110.10523	0.9
111.04473	1.8
111.08083	6.8
113.09682	0.8
115.05488	2.0
116.04742	1.0
117.07029	10.0
119.08595	24.0
121.06503	3.6
121.10158	13.5
123.08069	7.1
123.11693	3.9
125.09632	14.7
127.03927	2.5
127.07520	0.9
128.06265	1.2
129.05525	4.8
129.06999	4.8
131.08571	12.1
133.06454	2.0
133.10139	15.2
135.08064	3.6
135.11710	11.1
137.09644	10.5
137.13208	1.4
139.07564	1.0
139.11165	1.6
141.07043	0.9
141.09099	0.8
143.07036	1.0
143.08562	2.7
143.10733	1.4
145.06522	1.0
145.10139	11.0
147.08073	2.8
147.11690	12.8
149.09627	14.2
149.13231	1.8
151.07568	1.2
151.11205	2.8
153.09032	1.1
153.12769	1.8
155.08687	1.4
155.10626	5.1
157.08699	1.0
157.10152	3.2
159.11681	7.5
161.09630	2.3
161.13281	3.5
163.11208	10.8
165.09091	1.3
165.12776	2.6
167.10703	0.8
169.10114	1.3
169.12247	1.1
171.10158	2.1
171.11603	1.4
173.09608	1.2
173.10121	1.0
173.11755	15.9
173.13266	3.1
175.11223	3.2
177.12796	1.8
179.14362	2.3
181.12234	2.9
183.11722	1.7
187.11110	0.9
189.11281	2.4
191.10718	1.6
193.12241	3.8
195.13754	1.3
197.13364	1.1
199.13297	6.2
209.11752	3.0
211.13280	2.5
223.13347	2.8
227.12822	5.1
229.14384	30.6
243.15759	1.4
247.20638	2.4
253.14458	1.9
253.17972	1.3
255.15773	4.6
257.19006	3.7
259.20395	0.9
261.22018	1.2
267.15985	8.0
269.17654	1.2
273.18628	2.4
275.20093	19.5
283.15527	3.1
284.15723	1.8
285.16971	8.5
291.19489	5.9
293.21152	3.6
301.16571	5.2
325.20117	3.6
335.25790	8.1
349.23764	19.7
365.23209	2.6
383.24326	9.1
397.21686	1.7
397.26135	1.7
399.23950	8.5
407.27856	3.1
409.25894	1.3
423.27356	1.0
503.33618	7.0
521.34558	1.1
545.38324	7.9
548.24988	0.8
553.33472	3.0
575.35840	1.5
673.43140	5.5
691.44922	1.3
707.42566	0.9
904.49371	3.7
905.51050	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	904.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	6.1
67.05507	100.0
68.95515	1.0
69.03431	11.2
69.07072	43.1
71.01357	3.7
71.04995	15.5
73.02911	2.3
73.93941	1.2
77.03893	1.6
79.05495	64.4
81.03419	18.0
81.07061	84.1
81.17867	1.1
82.07364	1.4
83.04987	14.8
83.08620	16.7
85.02903	7.5
85.06532	5.0
87.04475	1.4
87.56064	1.2
91.03968	2.3
91.05483	66.2
93.07043	67.4
94.07396	1.2
95.04979	18.9
95.08607	45.6
97.02879	5.3
97.06544	24.4
97.10165	11.4
98.21552	2.6
99.04469	2.3
99.08086	3.3
103.05461	1.3
105.04537	3.1
105.07034	47.0
107.04943	9.9
107.08595	39.2
109.02885	2.6
109.06522	9.6
109.10158	35.1
111.04408	1.8
111.08080	9.5
115.05460	2.8
115.07577	1.9
117.07023	18.7
119.08581	34.3
121.06517	7.2
121.09333	1.9
121.10147	21.5
123.08094	7.2
123.11703	5.6
125.06018	1.8
125.09630	9.3
126.95040	1.2
127.03899	3.8
127.07551	1.2
128.06192	1.9
129.05486	4.0
129.06996	10.8
130.07779	2.2
131.08577	26.2
133.06477	2.8
133.10133	27.4
135.08064	7.7
135.11697	15.6
137.09618	10.7
139.11220	1.7
141.06969	2.4
142.07791	2.5
143.08578	9.6
144.09335	1.8
145.06471	3.0
145.10127	17.3
147.08037	5.0
147.11685	16.6
149.09641	20.0
149.13266	12.3
151.11151	4.9
153.08943	1.4
155.08549	4.0
155.10651	3.2
157.10158	7.5
159.08069	2.3
159.11688	18.0
161.09627	3.4
161.13252	7.3
163.11156	9.7
163.14795	1.6
165.09032	1.4
165.12740	1.8
169.10126	5.0
171.10271	2.6
171.11707	5.0
173.04561	1.8
173.09624	2.2
173.11752	10.4
173.13274	7.8
175.11162	4.9
175.14822	1.8
177.12744	5.6
179.14287	5.0
181.10126	1.7
181.12257	2.1
183.11656	4.3
184.07387	1.4
185.13307	3.7
187.11206	3.0
187.14931	1.8
189.11241	5.4
189.12761	1.9
191.14490	1.4
193.12262	4.6
195.11841	1.9
195.13812	7.0
197.13333	3.4
199.11250	1.4
199.13223	1.7
199.14937	2.1
201.12735	1.8
203.14268	1.4
205.12340	1.3
211.13200	1.7
211.14981	2.7
227.12801	6.6
229.14313	15.7
229.19531	3.0
233.15424	2.4
239.17833	1.8
243.15848	2.4
245.13766	1.6
245.18965	1.6
247.20596	1.6
253.14534	1.5
253.17755	1.3
255.15912	5.5
257.18982	6.6
259.20572	4.7
267.15903	7.5
269.17477	17.1
273.18533	5.1
275.20081	34.0
277.60321	1.2
279.15964	1.3
283.18906	1.6
285.17041	3.4
289.21439	1.8
291.19495	6.7
293.21036	3.7
331.22592	2.8
333.24319	3.7
335.25858	5.0
345.24344	1.4
347.22064	1.5
349.19708	2.0
349.23737	20.7
365.23230	4.2
369.23328	1.3
373.18561	1.7
383.24228	2.4
408.35400	1.3
409.25815	4.0
413.21887	1.5
423.27469	16.8
431.27997	3.1
437.28973	3.2
439.27283	1.6
445.29602	2.4
449.28934	6.7
462.57684	1.6
463.30502	4.7
479.30185	2.2
503.33942	6.3
509.36368	1.2
525.35480	2.5
527.37439	7.6
529.35345	2.8
543.36804	16.4
545.38477	6.0
557.37939	1.6
559.35736	2.1
561.37488	2.0
567.30774	1.6
577.36566	1.5
586.95825	1.3
623.43475	6.2
641.43933	1.3
687.42126	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	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.9
67.05508	41.8
67.05861	1.3
69.03439	3.7
69.07072	11.8
69.34147	2.1
69.34560	0.9
71.04999	3.3
73.02913	2.8
73.06547	0.6
77.03912	0.6
79.05498	32.6
79.44520	0.3
81.03423	35.8
81.07061	40.2
81.94607	0.4
82.07373	0.8
83.04986	9.7
83.08624	15.9
83.15971	0.4
85.02908	22.8
85.06512	1.7
85.06973	0.4
86.97754	0.4
87.04424	0.7
91.03963	6.3
91.05486	29.9
92.05788	0.5
93.07047	30.4
95.04970	16.9
95.08611	27.7
97.02893	7.2
97.06530	3.8
97.10164	3.9
99.04406	1.3
99.08031	1.1
101.05959	0.4
103.05444	0.9
105.04482	0.6
105.07034	20.8
107.04970	4.8
107.08599	16.5
109.02865	0.7
109.06516	3.6
109.10168	12.9
111.04387	1.6
111.08090	6.2
113.05964	1.3
115.05392	1.2
117.07024	3.7
119.08589	17.4
121.06489	1.7
121.10149	16.0
123.08081	2.7
123.11711	4.1
125.09623	2.0
127.03923	2.0
128.06236	0.6
129.05484	0.6
129.07028	7.3
131.08580	12.8
133.06526	1.8
133.10136	11.0
135.07996	1.0
135.10722	0.6
135.11699	8.4
137.09583	1.8
137.13251	0.7
139.11179	0.7
141.06970	0.5
142.07796	1.5
143.08582	0.9
145.04948	2.5
145.10132	6.2
147.08051	2.2
147.11696	11.9
149.09633	4.7
149.13284	3.8
151.11140	0.6
153.12724	0.6
157.10136	8.5
159.11711	3.4
161.09651	0.6
161.13269	2.5
163.06047	2.7
163.11151	1.4
163.14857	2.0
165.12747	1.7
169.10104	0.7
170.12939	0.4
171.11630	0.9
173.09506	0.7
173.11871	0.7
173.13251	3.2
175.11191	7.9
175.14804	1.4
177.12698	0.5
177.16364	0.5
181.12253	0.5
184.07231	0.5
185.13231	0.4
187.14774	1.4
189.11215	0.6
193.12250	26.3
199.14771	0.7
201.16365	0.5
209.11671	0.4
211.13298	34.4
212.13629	0.6
227.12688	1.9
229.14273	2.2
243.21046	2.6
249.14890	0.9
253.14500	0.4
261.22141	9.3
267.15912	11.2
269.17484	1.3
273.18472	0.9
275.19992	1.1
279.22940	0.5
283.15445	1.2
285.16980	43.0
286.17441	0.9
291.19604	2.6
299.23715	0.6
301.16528	0.8
301.25183	1.1
317.24637	2.0
333.24106	0.5
335.25812	67.1
336.26114	2.2
349.23767	0.8
365.23483	0.6
435.32660	1.5
453.33609	1.9
471.34683	0.9
473.33182	0.5
509.35938	0.8
519.33240	1.2
527.37317	14.0
528.37433	0.6
545.38397	100.0
546.38684	4.3
563.39038	0.6
575.36182	0.4
689.42889	0.7
803.05817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.5
67.05509	50.5
69.03435	6.0
69.06727	0.9
69.07070	11.9
69.91806	0.9
69.92212	1.8
71.01352	0.7
71.04662	0.6
71.04994	3.8
73.02927	4.0
74.41402	0.6
79.05498	40.6
81.03422	49.2
81.07060	51.2
83.04987	12.2
83.08622	22.5
83.09122	1.1
85.02908	29.3
85.06538	2.2
91.03967	7.8
91.05487	35.6
93.07050	38.6
95.04977	21.8
95.08613	29.8
96.04485	0.6
97.02901	7.9
97.06539	4.8
97.10169	4.8
99.04428	1.4
99.08105	1.3
103.05473	0.6
105.04537	1.1
105.07034	25.4
106.12059	0.5
107.04955	6.3
107.08596	18.1
109.06517	4.2
109.09474	1.0
109.10166	14.4
111.04436	1.8
111.08085	10.0
111.11751	0.6
113.06007	1.3
115.03899	0.7
115.05459	1.8
117.07034	5.1
119.08589	22.5
121.06516	1.7
121.10151	18.3
123.08106	2.8
123.11718	4.6
125.09628	2.6
127.03905	2.3
127.07550	1.0
128.06229	0.7
129.07007	9.3
131.08572	14.8
133.06509	3.1
133.10130	15.5
135.08080	0.8
135.11702	7.2
137.09653	1.8
137.13281	0.9
142.07791	1.7
143.08632	1.4
145.04961	3.2
145.10135	6.1
147.08109	2.7
147.11696	14.4
149.09602	5.2
149.13251	3.5
151.11140	1.3
155.08566	1.1
157.08955	0.5
157.10139	11.1
159.11691	4.4
161.13226	2.6
163.06046	3.2
163.11230	1.4
163.14874	1.4
165.12794	3.1
169.10173	0.8
171.11732	1.0
173.11952	0.6
173.13269	3.3
175.11208	11.5
175.14803	0.9
184.07370	0.6
185.13350	1.0
187.14886	1.6
189.11226	1.2
193.12256	36.6
199.14905	0.7
201.16455	0.5
211.13295	62.6
212.13608	0.8
227.12801	1.7
229.14221	2.5
243.21175	3.4
259.20505	0.6
261.22153	9.6
261.24854	0.7
267.15930	14.4
273.18643	0.8
274.29959	0.5
279.23120	0.7
285.16974	69.8
286.17258	1.1
291.19467	0.8
296.22980	0.6
301.25186	1.2
303.23132	0.7
315.11084	0.6
317.24802	2.5
335.25824	63.8
336.26196	2.0
359.26019	0.7
417.31662	1.0
435.32645	1.8
453.33813	2.2
471.34741	0.9
509.36005	0.6
527.37354	13.5
545.38391	100.0
546.38525	4.4
563.39539	1.0
688.36230	0.7
870.14111	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.511
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.9
67.05509	41.4
69.03424	4.0
69.07075	9.9
69.41054	5.8
71.05006	4.3
71.08633	1.1
73.02921	3.5
79.05498	36.0
80.05787	0.7
81.03430	10.8
81.07064	46.4
82.16071	0.7
83.01355	7.8
83.04562	1.0
83.04996	10.6
83.08627	13.6
85.02908	18.9
85.06543	1.7
91.03959	9.8
91.04903	0.9
91.05487	22.4
93.07051	43.7
95.04986	7.0
95.08614	30.6
95.44818	0.8
97.02893	11.0
97.06526	5.1
97.10194	4.7
99.04459	2.1
99.08086	0.8
103.05474	0.9
105.07038	16.8
107.04979	6.9
107.07874	1.5
107.08601	24.6
109.02853	1.0
109.06529	8.1
109.10174	14.2
110.07558	0.7
110.08304	0.8
111.04455	2.4
111.08096	2.2
114.14184	0.7
117.07028	11.7
119.08582	15.6
121.06516	3.5
121.10153	17.3
123.08066	7.4
123.11726	4.8
124.91169	0.8
125.05971	1.3
125.09647	3.6
127.03912	3.8
129.07014	2.9
130.07819	1.5
131.08577	10.0
133.10136	7.3
135.08076	3.0
135.10709	1.3
135.11705	17.2
137.09615	2.3
137.13202	1.0
143.08571	1.7
145.04968	5.2
145.10133	18.3
147.08000	2.1
147.11703	5.2
149.09636	2.1
149.13290	5.3
151.11205	1.3
153.12741	2.7
155.08521	1.2
157.10188	1.0
159.11731	5.8
161.13266	2.8
163.06010	6.7
163.11186	19.7
163.14838	2.7
166.19356	0.7
169.10184	1.4
171.10240	0.7
171.11635	1.6
173.09618	3.0
173.13266	5.4
175.11293	0.9
175.14856	1.5
181.12279	2.8
185.13312	1.4
187.14848	2.1
189.11270	2.4
191.10689	2.1
191.45039	0.8
193.12230	1.8
199.14886	0.8
201.16353	1.6
209.11737	6.2
211.13248	1.8
227.12782	10.7
229.14384	1.0
240.23288	0.7
243.21123	5.6
259.20636	2.2
261.18317	0.8
261.19217	1.0
261.22141	11.9
267.15918	3.0
268.16351	1.1
283.15417	100.0
284.15750	1.9
285.16968	1.4
299.23697	4.9
314.27811	0.8
317.24860	4.1
333.24280	1.8
335.25842	66.0
336.25964	2.5
415.30139	0.9
423.32852	0.9
433.30933	2.3
451.32159	3.5
469.33301	2.8
487.34399	1.5
515.36707	1.0
525.35797	5.9
529.66687	0.9
543.36877	59.3
544.37018	2.6
561.37848	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	902.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	1.8
67.05511	35.0
69.03409	2.1
69.06741	0.5
69.07074	10.2
71.04968	2.2
71.08632	0.5
73.02911	2.4
77.03859	0.5
79.05501	32.7
81.03421	3.5
81.07063	36.5
82.07360	0.5
83.04980	3.7
83.08627	7.9
85.02901	3.6
85.06541	0.8
85.10172	0.5
91.03923	2.2
91.05487	13.0
93.07052	40.0
95.04972	5.7
95.08614	43.5
97.02909	5.6
97.06531	4.8
97.10139	1.8
99.04450	3.2
99.08036	0.7
103.05433	0.7
105.04508	1.0
105.06393	0.8
105.07038	10.6
107.04960	7.2
107.08603	31.1
109.02873	0.5
109.06527	2.7
109.10154	10.9
111.04390	1.4
111.08044	2.1
117.07019	8.3
119.07813	0.7
119.08596	12.4
121.06514	4.7
121.10154	17.9
123.08054	0.9
123.11681	2.3
125.06026	3.2
127.03899	0.9
129.06944	1.5
130.07762	1.8
131.08578	5.1
133.10146	6.1
135.08020	2.3
135.11703	41.2
137.13292	0.7
139.07550	0.9
139.11253	0.6
143.08543	1.2
145.04968	0.7
145.10133	26.0
147.11707	2.5
149.13242	2.1
153.12791	1.0
159.11681	2.2
161.13228	1.7
163.11194	51.5
163.14825	1.6
173.09605	0.9
173.13271	1.6
175.14774	0.8
181.12257	8.9
184.07408	0.8
187.14839	0.8
191.10497	0.6
193.12234	0.7
209.11815	1.8
227.12796	67.9
228.13156	1.3
229.14412	0.9
229.22142	0.9
243.21117	2.1
254.48792	0.5
261.22162	7.8
267.15994	1.5
268.16354	0.6
275.20251	0.5
283.15424	100.0
284.15756	1.4
289.71521	0.5
291.19519	1.4
307.51099	0.5
313.27429	1.6
314.27701	0.8
317.24789	2.3
335.25830	85.7
336.26083	3.2
365.23343	0.6
385.75656	0.6
469.33075	0.8
506.39520	0.9
507.40085	0.7
510.40213	0.6
543.36865	96.5
544.37048	4.5
561.37811	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	3.6
65.75761	0.7
65.79350	0.7
67.05505	54.2
68.05817	0.8
69.03421	4.8
69.06733	1.1
69.07072	14.2
69.72336	1.5
69.72749	3.1
71.01324	1.2
71.04993	5.1
71.08610	1.8
73.02908	4.9
77.03885	1.5
79.05495	48.8
80.88335	0.7
81.02988	1.1
81.03427	15.9
81.07057	56.4
82.07363	0.7
83.01337	8.1
83.04981	11.6
83.08151	1.2
83.08617	17.0
85.02905	21.4
85.06562	2.3
91.03960	11.8
91.04903	1.4
91.05483	32.7
93.07044	54.3
95.04970	7.5
95.08607	40.9
96.04471	1.0
97.02892	11.7
97.06522	5.0
97.10166	6.4
99.04471	3.6
99.08083	1.5
105.04488	2.1
105.06326	0.7
105.07037	21.6
107.04973	7.7
107.08601	30.0
109.02873	1.5
109.06510	6.5
109.10159	18.4
111.04430	3.4
111.08075	3.8
113.09649	1.0
115.03941	1.3
117.07033	13.2
119.08582	17.4
121.06503	3.1
121.10141	23.5
123.04427	1.3
123.08084	6.5
123.11724	4.3
125.05984	1.3
125.09626	4.1
127.03934	4.2
129.07021	3.6
130.07771	2.5
131.08585	13.0
133.10139	10.5
135.08072	3.0
135.11696	21.0
137.09613	2.6
137.13232	1.6
139.11095	0.9
143.08568	1.8
145.04961	4.7
145.06517	1.0
145.10130	22.7
147.08035	2.6
147.11690	7.1
149.09610	1.8
149.13277	8.3
151.11185	1.1
151.14886	0.9
153.12724	2.7
155.08513	2.0
157.10124	2.8
159.11716	7.9
161.13271	4.2
163.05960	4.9
163.11185	22.0
163.12553	1.3
163.14726	3.5
165.12622	0.9
171.11653	1.5
173.09636	3.5
173.11880	1.2
173.13251	6.8
175.14822	2.2
177.16360	1.9
181.12215	4.0
183.11673	0.9
185.13264	1.7
187.14807	2.9
189.11227	2.3
190.81596	0.8
191.10683	2.3
193.12207	2.6
201.16287	1.0
209.11743	6.2
211.13269	1.9
225.16533	1.0
227.12796	12.4
229.14410	0.8
243.21121	5.0
259.20602	1.9
261.22147	18.7
267.15958	5.8
268.16269	1.5
273.22137	1.1
275.20108	1.0
277.21591	1.3
283.15408	100.0
284.15768	2.0
285.16968	1.1
299.23691	6.3
306.96201	1.0
313.27368	2.3
314.27762	2.0
317.24689	5.7
333.24167	2.0
335.25809	91.6
336.26154	1.9
385.57724	1.0
415.30219	1.0
433.30908	2.7
451.31961	4.9
469.33139	3.1
487.34924	1.4
499.34055	1.0
505.38800	1.1
506.39200	2.1
507.39343	2.2
515.36945	0.9
517.34808	0.9
525.35754	7.9
543.36829	95.9
544.36975	5.8
561.37903	6.0
585.74823	0.8
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
65.03899	2.1
67.05508	36.2
69.03386	2.2
69.07069	10.5
70.18932	0.6
71.04989	2.5
71.08572	0.6
71.51225	0.5
73.02891	1.1
77.03880	0.5
79.05496	32.2
81.03445	2.7
81.07061	37.5
82.07355	0.6
83.01325	0.5
83.04990	3.5
83.08623	7.1
85.02911	3.6
85.06501	1.5
89.02012	0.6
91.03925	1.5
91.05485	16.5
93.07047	43.3
94.07370	0.7
95.04478	0.6
95.04968	5.7
95.08612	42.3
96.08897	0.6
97.02911	3.0
97.06537	3.6
97.10124	2.0
99.04405	1.9
99.08099	0.8
103.05423	1.4
105.04491	0.7
105.07037	11.7
107.04947	6.1
107.08603	28.4
109.06533	2.5
109.10164	12.4
111.04401	1.1
111.08043	1.9
113.05952	0.6
113.09651	0.6
115.05418	0.9
115.88573	0.5
117.07029	8.6
119.07829	0.9
119.08584	11.5
121.06495	3.6
121.10154	16.7
123.08046	1.0
123.11718	3.0
125.05979	1.3
125.09579	1.6
127.03876	0.8
128.04286	0.5
129.07002	1.3
130.07751	1.1
131.08580	6.3
133.10138	6.7
135.08083	2.5
135.11699	38.7
137.09595	1.4
137.13254	0.8
139.07501	1.4
143.08539	1.1
145.04942	0.7
145.10132	21.0
147.07994	0.6
147.11676	2.5
149.09653	1.0
149.13283	3.6
151.11127	1.2
153.12730	1.2
155.08562	0.5
159.11656	2.1
161.09607	0.5
161.13205	2.3
163.05971	0.6
163.11185	38.9
163.14845	1.5
164.11514	0.8
173.09604	0.9
173.13232	1.9
181.12251	6.1
184.07262	0.7
187.14755	0.9
209.11662	1.4
217.98155	0.5
227.12790	49.4
228.13202	0.7
229.14282	0.9
243.21062	2.0
253.14360	2.0
261.22141	7.6
267.15875	0.9
273.18396	0.8
275.19919	0.9
282.37912	0.5
283.15405	53.3
284.15781	1.1
291.19434	1.0
293.20969	0.5
300.18835	0.5
313.27380	1.1
314.27762	0.9
317.24786	1.9
335.25812	100.0
336.26126	4.0
349.23627	0.8
365.23306	0.9
505.38684	0.5
543.36847	89.7
544.37128	4.4
559.36365	1.0
561.37543	0.8
705.41522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88445	0.9
65.03936	3.3
67.05507	43.5
69.03439	6.6
69.07068	10.8
69.41808	4.8
69.42223	2.1
70.06590	1.3
71.01339	2.3
71.04997	5.7
73.02924	6.2
79.05498	37.7
79.05966	1.8
81.03421	100.0
81.07059	36.5
82.03734	1.3
82.04189	2.3
83.04987	25.0
83.08624	29.4
84.05768	1.1
85.02908	11.1
85.06542	3.0
87.04477	1.3
91.03956	3.4
91.05484	34.5
93.07052	28.5
93.60345	0.9
94.97072	0.9
95.04976	40.3
95.08610	12.8
97.02888	10.3
97.06537	11.1
97.10164	16.3
98.07304	5.1
98.20801	2.2
99.04449	2.2
99.08096	2.5
101.06040	1.0
103.05492	1.2
105.04484	1.3
105.07031	22.8
107.04958	17.9
107.08595	19.6
109.02887	2.4
109.06512	7.4
109.09476	1.4
109.10165	19.8
111.04446	12.5
111.08077	14.3
115.05437	1.9
116.04717	9.4
117.05522	4.4
117.07032	7.2
119.04916	2.5
119.08585	23.7
121.02872	6.3
121.06510	8.8
121.10136	12.6
123.04411	2.7
123.08057	6.7
123.11723	1.9
125.05998	2.1
125.09628	19.6
127.03898	2.1
127.11197	1.2
128.06247	1.1
129.05489	30.7
129.06969	14.4
131.04938	2.3
131.08569	12.2
133.06511	6.4
133.10126	11.5
135.04391	4.4
135.08049	5.3
135.11699	12.2
137.05989	2.3
137.09624	3.4
142.07787	3.3
143.07050	6.4
143.08540	2.1
145.04939	1.6
145.06476	3.5
145.10127	10.3
147.04398	3.0
147.08061	6.7
147.11703	11.6
149.05931	1.6
149.09601	7.5
153.06985	0.9
153.09119	3.5
153.12749	23.6
155.08568	2.3
155.10674	1.3
157.08604	12.9
157.10121	13.5
158.05721	1.3
159.11658	1.2
161.09607	1.4
163.06036	1.0
163.11192	22.5
165.12750	3.8
169.10139	1.0
171.06512	1.5
171.08035	1.3
171.10190	5.1
171.11496	1.3
173.04451	1.1
173.05870	1.2
173.09596	3.5
173.11763	4.3
173.13223	2.1
175.11201	13.0
181.12234	18.3
183.11685	4.3
185.11739	2.1
185.13274	1.9
187.11273	1.2
189.11208	15.3
189.12724	1.3
191.10664	10.5
193.12254	39.1
199.13290	3.9
200.14081	3.7
201.12767	2.8
201.14861	4.6
203.14279	1.2
205.10022	0.9
205.12234	2.3
207.13811	0.9
209.11694	11.3
211.11325	2.0
211.13246	10.9
213.12740	1.4
219.13771	6.0
223.13390	1.1
227.10541	2.0
227.12794	41.5
228.13248	1.0
229.12221	2.7
229.14348	20.8
231.13785	3.6
235.13309	1.4
247.10794	2.1
247.13307	33.6
248.13678	1.5
249.14941	6.4
255.15941	1.5
259.13290	2.7
265.14349	3.1
267.15930	89.2
268.16248	2.2
273.14832	1.0
283.12436	1.5
283.15411	23.1
285.17020	3.5
301.13434	1.6
301.16528	31.5
309.16855	1.0
321.16959	13.0
339.18121	3.3
355.22852	1.3
365.21109	1.9
372.67377	0.9
383.22241	3.6
399.23837	1.6
401.23126	3.2
421.25784	2.4
439.26691	2.6
457.25940	3.3
458.26669	1.3
459.27512	3.1
463.26297	1.3
475.26855	21.9
476.27844	4.8
477.28448	1.3
493.27969	36.8
494.28391	1.2
525.30511	3.5
535.28461	1.2
543.31158	1.2
601.29523	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.46
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	6.2
67.05508	100.0
68.64635	1.1
69.03426	12.4
69.07071	11.5
70.06596	1.6
70.85014	3.0
71.01344	2.5
71.05003	16.0
71.89619	1.2
73.02902	3.2
77.03904	1.6
79.05495	48.5
81.03423	85.7
81.07059	50.8
83.04987	26.7
83.08624	35.4
83.09121	1.5
84.04481	1.2
85.02901	26.1
85.06560	6.6
86.09693	1.9
87.04469	24.7
91.03956	5.8
91.04912	2.4
91.05486	48.2
93.07046	33.2
95.04974	30.3
95.08610	19.5
97.02906	10.8
97.06529	11.3
97.10170	17.3
99.04459	13.0
99.08101	1.6
103.05470	3.7
105.04543	1.7
105.07040	29.2
107.04957	18.2
107.08595	17.6
109.02912	2.0
109.06515	6.8
109.10163	59.6
111.04433	9.7
111.08079	12.9
113.06001	2.3
115.03961	2.1
115.05445	1.7
117.07047	6.9
119.04971	1.6
119.08583	27.3
119.09362	2.0
120.08146	2.0
121.02850	2.5
121.06511	4.6
121.10144	16.6
123.04448	1.9
123.08072	5.4
123.11733	2.0
125.05984	2.5
125.09634	11.6
127.03931	3.2
128.06203	2.1
129.05496	2.8
129.07007	15.4
130.06526	1.7
130.07489	1.4
131.04956	4.1
131.08582	18.9
133.06517	4.6
133.10130	14.8
135.04376	1.5
135.08076	2.9
135.11664	9.0
137.09621	5.5
142.07784	4.1
145.10175	6.8
146.05997	2.3
147.08063	4.8
147.11708	14.8
149.06026	1.6
149.09578	7.8
153.01877	8.3
153.12711	10.1
155.08598	2.4
155.10675	3.1
157.10130	12.7
157.78586	1.3
163.11221	14.8
165.12732	3.3
173.09601	2.9
173.10326	1.4
173.11778	14.3
175.11169	18.7
181.12236	6.1
185.13261	1.8
189.11272	3.5
191.10631	8.0
193.12257	49.0
199.13342	9.0
209.10013	1.2
209.11647	8.1
211.13298	64.5
217.14473	1.9
219.13823	2.1
223.13365	1.9
227.12753	20.8
229.14366	67.4
241.14328	5.3
247.13364	4.7
248.65738	1.4
249.14815	3.3
265.14337	1.9
267.15936	49.1
283.15402	18.1
285.16986	42.9
301.16684	3.0
313.16479	2.2
315.18021	8.1
365.21246	1.8
383.22241	5.0
401.23361	3.3
409.25766	6.9
421.25888	23.4
427.26978	5.5
439.26944	96.0
440.27124	4.0
457.25851	4.0
461.29022	5.0
467.26178	1.8
475.26889	21.0
476.26971	1.7
493.28152	10.2
507.29956	1.4
525.30597	11.4
543.32166	7.1
846.17206	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03936	2.4
67.05506	39.3
69.03425	1.9
69.07072	9.7
71.04995	1.6
71.08620	3.4
71.10046	0.7
73.02917	1.2
73.06541	1.2
74.01014	0.8
77.03927	0.9
79.05498	48.6
79.65909	0.7
80.05834	0.8
81.03426	6.2
81.07059	40.2
83.04988	8.7
83.08619	6.8
85.02908	6.4
85.06558	1.6
85.10193	2.3
86.09682	0.9
91.03947	3.6
91.04900	1.4
91.05482	39.5
93.07047	47.7
95.04975	10.1
95.08607	27.7
96.08946	1.5
97.02883	3.4
97.06528	3.1
97.10177	4.1
98.98462	1.0
99.08099	1.5
105.04536	2.0
105.06316	1.2
105.07034	24.9
107.04971	3.8
107.08601	18.7
109.06522	3.8
109.10166	10.1
111.08096	1.6
112.82681	0.8
117.07012	6.6
119.08589	15.5
121.06490	1.4
121.10134	7.5
123.08084	4.1
123.11683	2.2
125.00006	1.9
125.09634	1.5
128.06223	1.1
129.05530	1.5
129.06996	8.2
131.08560	6.1
133.10143	10.0
134.09628	1.3
135.08112	1.3
135.11700	4.8
143.08586	5.0
143.86626	0.8
144.08086	1.1
145.05057	0.9
145.09073	1.2
145.10150	7.9
147.08026	1.4
147.11696	21.0
149.13248	1.9
151.11166	1.1
151.20277	0.8
153.12772	0.8
153.23193	1.0
157.08653	1.1
159.11705	2.2
160.11211	12.1
161.09598	1.9
161.13254	6.9
163.06026	0.8
163.11212	1.4
169.10178	0.8
171.11693	13.5
173.13385	1.6
174.41838	0.8
177.16566	0.7
184.07330	2.1
189.11298	1.1
189.12659	3.9
191.14394	0.8
207.13809	14.8
227.12813	1.6
229.14400	1.9
243.21065	3.1
253.14302	3.8
253.26355	0.9
258.08936	11.1
261.22159	4.7
267.15945	2.3
272.20108	1.1
279.15866	2.5
281.17490	54.0
282.17789	1.3
283.15631	1.1
284.15717	1.3
285.16809	1.2
301.16431	5.2
302.16882	4.3
303.17038	1.7
313.27353	9.3
314.27728	5.2
315.27942	2.2
317.24387	1.5
335.25812	44.3
336.26279	1.1
452.47281	0.8
523.39252	2.8
539.39728	2.0
540.39618	3.3
541.38959	100.0
542.39331	5.4
559.39697	3.2
562.17944	0.9
738.52985	1.2
882.51703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5731
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	0.7
67.05509	33.3
67.51942	0.4
68.92204	0.4
69.03436	2.1
69.07071	6.5
70.69953	1.3
71.04599	0.8
71.04995	15.0
71.08633	17.5
73.02929	2.2
79.05491	7.7
81.03426	0.9
81.07059	60.7
83.04990	2.3
83.08624	9.9
83.09121	0.7
85.02906	8.5
85.06548	5.9
85.10184	10.9
85.10669	0.7
87.04458	0.4
91.03960	4.7
91.04900	0.6
91.05483	12.3
91.06017	0.9
93.07050	8.2
95.04985	0.7
95.08611	19.1
97.02892	5.4
97.06528	2.4
97.10171	4.0
99.08104	0.7
99.11733	0.7
105.07023	4.4
107.08601	5.2
109.02900	0.9
109.06552	0.6
109.10159	10.4
111.08044	1.0
111.11721	0.6
117.07008	1.1
121.10172	2.0
123.11710	12.8
125.00101	0.5
125.09628	0.6
127.03918	1.8
131.08569	1.2
133.10143	10.5
135.11685	1.9
137.13333	1.0
141.87961	0.5
145.04982	2.1
149.13248	2.4
151.11172	6.3
151.14827	0.6
159.11707	2.9
163.06024	1.6
165.46254	0.4
169.12234	1.0
171.10422	0.5
177.12788	1.3
183.13841	2.1
184.07391	1.1
187.13306	4.3
194.82265	0.5
195.13818	1.5
201.14906	0.7
239.23798	1.9
250.99596	0.5
253.18048	0.5
254.08543	0.5
257.17606	1.8
269.17462	4.5
301.20102	15.5
313.27399	16.4
341.27045	0.5
445.24408	0.9
481.38919	69.0
482.39175	2.6
495.40573	2.6
507.40555	7.8
509.42108	0.7
539.43097	100.0
540.43494	4.6
625.43677	0.6
683.46704	1.2
840.20135	0.5
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
65.03931	1.4
67.05508	26.8
69.03420	1.3
69.07070	7.9
71.04996	12.4
71.08636	17.1
73.02911	1.8
77.92129	0.7
79.05495	7.1
81.03410	1.2
81.07061	53.1
83.04977	2.6
83.08629	9.5
85.02911	6.8
85.06542	4.6
85.10189	9.2
86.09689	0.8
89.06023	0.7
91.03952	4.5
91.05490	9.9
93.07047	5.4
94.41004	0.7
95.05007	0.7
95.08617	18.7
97.02900	4.2
97.06544	1.9
97.10162	3.8
99.08131	0.6
101.06044	0.6
105.07031	5.5
107.08607	4.8
109.10143	8.4
111.11694	1.0
117.07020	1.1
119.08594	0.9
119.22415	0.6
121.10181	2.0
123.11725	12.6
124.99941	0.7
127.03913	1.9
130.15295	0.5
131.08588	1.9
133.10136	9.2
135.11688	1.8
137.13295	0.8
137.14413	0.5
145.04984	2.4
146.92595	0.6
149.09763	0.6
149.13330	2.8
151.11176	5.8
151.14891	0.6
159.11717	2.8
162.07578	0.6
163.06071	1.4
175.18018	0.7
177.12791	1.8
183.13834	2.1
184.07378	2.5
187.13312	3.1
195.13818	0.9
229.25642	0.8
239.23763	2.0
257.17386	0.6
257.24963	1.1
269.17538	5.9
275.87903	0.6
292.28888	0.6
294.28314	0.7
301.20050	7.8
313.27396	22.0
351.51242	0.7
360.63840	0.7
445.24258	0.9
481.38916	65.1
482.39331	2.5
495.39996	1.9
507.40424	8.2
539.43109	100.0
540.43433	4.0
625.43628	1.3
646.44647	0.6
683.47241	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	898.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.9
67.05509	17.5
69.03431	4.0
69.07066	7.7
69.17006	2.6
69.17435	2.4
71.01323	1.3
71.04966	1.4
71.08636	14.8
73.02924	6.3
79.05499	11.5
80.06264	0.6
81.02988	0.6
81.03419	7.6
81.07057	15.7
82.04170	2.1
83.04576	0.6
83.04983	7.3
83.08622	9.1
84.02106	0.8
85.02911	10.6
85.06516	1.0
85.10181	9.5
86.09675	0.5
87.04432	0.6
89.06037	0.6
91.03957	5.5
91.05003	0.5
91.05487	8.1
93.07051	7.4
95.04983	6.6
95.08607	14.5
97.02905	4.9
97.06542	4.3
97.10174	9.9
98.07320	3.8
99.04443	0.8
99.08079	0.9
99.11733	0.7
103.07538	0.7
105.04531	0.7
105.07036	4.6
107.04989	3.7
107.08595	5.1
109.02839	0.9
109.06478	1.3
109.10162	9.2
111.04453	1.2
111.08087	2.7
111.11677	1.3
113.05961	0.9
115.05514	0.7
115.07575	0.9
116.04715	9.0
117.05463	0.5
117.06994	2.1
119.08602	3.5
121.06453	1.0
121.10151	3.0
122.74619	0.5
123.08077	2.6
123.11669	1.9
124.99960	0.5
125.09641	8.2
127.03891	2.4
127.11156	0.9
129.05487	20.5
129.07008	1.8
130.47005	0.4
131.08592	2.7
133.10115	2.0
135.08022	2.0
135.11682	2.3
137.09583	1.0
137.13240	0.6
143.07033	5.0
143.10692	0.8
145.04962	1.9
145.10110	1.7
147.07994	0.9
147.11707	2.6
149.09602	1.4
150.32912	0.5
152.26169	0.5
153.12733	2.0
155.23009	0.5
157.08582	8.7
157.10080	2.1
158.05678	0.6
163.06079	2.6
163.11177	3.5
164.11894	0.5
165.12732	0.5
171.06488	1.3
171.10144	4.1
173.09601	1.1
175.11136	1.7
181.12343	1.1
184.07335	2.0
185.08107	0.6
185.11749	0.9
189.11238	5.9
191.10657	1.2
192.11470	0.5
193.12288	2.6
199.09683	0.5
199.13309	3.1
200.14053	2.0
208.67966	0.5
209.11754	1.6
210.12466	1.6
211.13350	0.8
224.05258	0.4
227.12794	11.4
229.14400	0.9
239.23685	2.5
242.37663	0.4
245.98787	0.4
255.15913	1.8
257.24750	1.9
265.14224	1.3
267.15939	4.5
272.64499	0.5
283.15402	5.0
284.15982	0.6
301.16467	100.0
302.16876	2.6
311.22110	0.9
313.27371	69.2
314.27673	2.1
367.28421	3.5
395.31754	0.7
409.33151	1.0
437.36520	0.9
438.37158	1.4
467.37454	1.5
491.52008	0.5
493.39178	0.6
505.38876	3.5
521.38312	4.2
522.39325	1.4
523.39532	0.5
539.39435	69.7
540.39783	3.8
714.77667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.537
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03897	1.2
67.05508	27.8
67.05845	0.9
69.03429	6.1
69.07077	12.2
71.01327	0.7
71.04951	2.4
71.08636	26.3
73.02915	6.0
79.05497	18.4
81.03420	8.2
81.07063	22.7
82.04160	2.8
83.04986	11.0
83.08167	1.0
83.08621	14.1
85.02909	14.3
85.06502	2.0
85.10189	14.9
86.09677	0.9
87.04448	1.1
89.05987	2.2
91.03963	8.4
91.05490	15.4
93.07045	16.0
95.04972	10.6
95.08614	24.3
97.02899	12.5
97.06535	6.3
97.10171	11.3
98.07286	2.8
99.04429	2.7
99.08021	1.3
99.11727	0.9
103.07565	0.8
105.07030	6.8
107.04964	6.0
107.07999	0.9
107.08607	9.4
109.02890	0.7
109.06488	1.9
109.09485	1.0
109.10168	13.7
111.04443	5.6
111.08094	3.4
111.11675	0.8
113.05976	1.2
115.03932	1.2
115.05454	0.7
115.70101	0.5
116.04717	7.1
117.06313	0.7
117.07028	5.6
117.09055	0.8
119.07956	0.6
119.08599	6.0
121.06470	1.9
121.09474	0.5
121.10152	5.7
123.04395	1.9
123.08047	2.6
123.11735	4.7
125.09654	6.5
127.03925	3.6
127.11143	1.4
129.05498	16.4
129.06462	0.9
129.06989	2.4
130.07803	1.4
131.08553	5.3
133.10144	3.2
135.08014	2.4
135.11710	6.6
137.09525	0.9
137.13232	1.1
143.07040	4.0
143.08043	0.7
143.08542	0.8
145.04982	3.0
145.06497	0.9
145.10132	7.7
147.08046	1.8
147.11639	2.1
149.09566	2.3
151.11086	0.8
153.09111	0.8
153.12692	0.9
155.08568	1.4
157.08627	7.8
157.09901	1.0
158.05772	0.9
163.06055	3.7
163.11179	7.0
165.12846	0.9
171.06502	2.2
171.10147	2.5
173.09679	3.2
175.11137	1.1
181.12184	1.1
184.07341	2.9
185.07950	0.8
189.11200	2.3
191.10646	4.7
192.11510	0.6
193.12256	1.9
199.13278	1.4
200.14124	0.8
209.11765	12.9
210.12518	0.8
227.12766	8.1
229.14384	1.1
239.23775	3.7
255.15880	5.4
257.24716	2.9
265.14285	0.8
267.15894	3.3
283.15417	64.6
284.15869	1.7
301.16476	46.4
302.16891	0.9
311.22086	0.8
313.27374	100.0
314.27884	3.5
341.26944	0.7
367.28445	4.6
381.29984	1.2
395.31732	1.7
438.36975	1.6
467.37161	1.5
483.95251	0.6
505.38889	4.5
521.38397	33.9
522.39136	3.2
539.39471	96.7
540.39752	5.2
587.90350	0.7
619.26001	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.5235
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.9
69.03426	2.5
69.07068	2.8
69.67580	1.2
69.68009	1.5
70.06594	2.5
71.04999	1.5
71.07388	0.7
72.08144	0.8
73.02926	2.3
79.05500	4.3
81.03440	1.7
81.07061	5.5
83.04992	0.6
83.08624	1.0
85.02900	2.5
86.09710	6.5
91.03969	1.8
91.05473	3.4
93.07043	3.7
95.05004	0.7
95.08604	2.5
97.02915	2.8
97.06548	1.2
97.10188	1.0
98.98494	0.4
99.04444	0.7
101.02403	1.0
105.07059	2.5
107.04961	0.4
107.08633	1.8
109.02903	0.7
109.06528	0.5
109.10172	1.0
111.08116	0.5
117.07054	1.5
119.04993	0.4
119.08622	1.3
120.08132	1.3
121.10143	0.8
124.99995	2.1
125.09665	1.0
127.03983	1.0
129.07074	0.5
130.06599	0.6
130.47824	0.4
131.08597	1.1
133.10184	1.3
135.08127	0.5
135.11772	1.1
136.07669	0.9
139.11205	0.5
141.10242	1.0
147.11713	0.5
159.07983	0.4
159.09239	0.9
159.11786	0.5
169.09891	1.2
184.07353	10.4
185.07785	1.1
203.05302	0.4
243.08455	2.7
275.20190	0.8
301.09402	0.4
333.20532	1.3
365.23221	1.7
421.25854	0.5
439.19644	1.6
453.21063	1.3
503.12839	0.4
513.23303	0.6
533.28577	0.4
551.28241	5.8
583.30963	4.6
749.41248	0.6
765.40564	1.4
795.45172	0.9
807.40680	0.9
875.48120	0.5
876.27063	0.5
893.52307	100.0
894.52814	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	898.446
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02393	0.4
67.05511	0.6
69.07076	2.7
70.06594	18.4
70.91354	0.6
71.06120	0.3
72.08158	13.4
74.24664	0.3
77.03913	0.3
79.05489	0.4
80.98604	0.3
81.03412	1.2
81.07046	0.6
82.06574	0.9
83.62534	0.3
84.04499	4.8
85.04025	0.7
86.09705	28.2
91.05464	2.8
93.07052	1.3
95.04960	0.6
95.08576	0.3
98.09702	0.9
99.05578	0.8
99.09233	2.6
103.05457	5.5
105.07051	1.2
105.80999	0.3
110.06033	0.3
115.05470	1.3
117.05790	1.1
117.07019	0.8
118.06548	8.8
120.08106	100.0
121.08427	1.0
127.08682	4.9
129.07022	0.5
130.06526	69.7
130.14201	0.3
131.06871	0.6
131.11813	1.5
132.08092	8.2
137.69720	0.3
141.10252	0.6
142.06529	1.9
143.07332	1.2
144.08089	7.7
145.07590	0.4
146.06009	34.0
146.09625	2.4
152.87404	0.3
153.10231	3.8
154.06511	1.4
155.06137	0.4
155.08157	0.9
156.08069	0.8
158.06020	4.0
158.08392	0.9
158.09615	0.6
159.09178	23.6
160.07610	1.5
168.08081	0.5
169.07602	11.0
170.06003	9.0
171.09149	3.6
174.12785	1.0
181.08049	0.5
181.09705	7.2
182.06035	1.5
184.11179	0.4
185.10687	0.4
186.10335	0.8
187.08652	2.3
188.07066	75.6
189.07408	1.1
189.10312	0.3
191.11789	1.1
196.11229	0.4
197.07108	1.6
197.10771	1.3
198.05627	0.4
199.08678	1.4
201.10167	0.3
201.13857	3.6
205.09724	63.5
206.10017	1.3
209.09236	4.0
215.08168	11.0
216.08484	0.4
217.09842	0.5
219.11244	0.6
225.10408	0.6
225.13896	1.0
228.06531	0.4
229.09767	0.7
229.13353	16.1
230.12892	0.7
231.11281	0.4
232.10834	3.0
233.09520	0.4
236.10297	0.6
241.13330	1.2
243.07632	0.9
247.14307	0.7
248.76656	0.4
251.11806	0.5
252.15027	0.5
253.09625	0.4
253.13361	1.7
257.12848	27.3
258.13077	0.9
267.15961	0.8
268.10916	0.5
268.14340	1.0
269.12790	0.9
270.12729	0.3
270.15918	0.8
271.12369	0.5
274.15442	0.5
276.13422	7.4
280.14514	1.8
281.12878	4.9
285.12326	15.3
286.12000	1.0
286.15341	0.7
294.18253	1.8
296.13956	0.9
298.15463	0.7
300.16925	0.9
302.14990	22.1
303.14807	1.8
314.11542	0.4
314.14975	5.3
321.19159	0.9
322.17673	1.0
324.13425	0.6
325.11670	0.3
328.16541	4.4
339.20197	1.1
342.14584	3.5
345.19052	0.8
349.18555	1.8
356.16116	2.7
373.18698	17.3
374.18704	0.6
378.17984	0.7
413.18414	0.5
415.23489	0.7
423.20499	0.6
428.19492	0.4
433.18814	0.5
443.20605	1.4
444.19037	1.0
448.25522	0.8
459.27380	0.4
461.21951	0.6
466.25562	0.4
476.24731	1.7
477.25043	0.7
488.26514	1.2
489.21246	6.0
514.24396	3.8
516.26056	5.5
532.25549	2.7
542.23688	2.6
549.27863	0.7
560.25037	10.6
561.24646	0.4
577.26282	0.4
578.25323	0.8
581.26697	0.4
595.32202	1.4
617.30530	0.5
623.31543	1.4
680.33435	0.7
870.44287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05510	5.0
67.05842	0.5
69.03436	2.0
69.07072	2.3
70.06597	1.7
71.05001	1.7
71.51140	0.3
71.51546	0.4
72.08170	0.5
73.02917	2.4
79.05492	3.7
81.03438	1.4
81.07068	4.8
83.05012	0.6
83.08627	0.6
85.02901	3.7
85.06568	0.5
86.09710	3.2
88.03258	0.3
91.03984	1.5
91.05483	3.6
93.07053	3.8
95.04961	1.1
95.08620	2.1
97.02894	3.1
97.06549	0.9
97.10197	1.0
99.04501	0.9
99.05522	0.3
101.02401	1.6
105.07021	2.2
106.54800	0.3
107.08602	1.9
109.02930	0.7
109.06512	0.4
109.10182	1.4
111.08124	0.6
115.03985	0.3
115.05418	0.4
117.07062	1.0
119.08576	1.6
120.06753	0.4
120.08127	0.6
121.06625	0.5
121.10143	0.5
123.08109	0.6
125.00025	1.1
125.09654	0.7
127.03930	1.0
131.08612	1.3
133.10194	1.1
135.11740	0.9
136.07637	0.5
145.10205	0.7
147.11720	0.6
148.43846	0.3
149.13339	0.5
159.09210	0.6
159.11794	0.9
169.09837	0.7
184.07364	5.2
193.04973	0.3
237.99667	0.3
243.08374	2.4
256.26370	0.4
257.26065	0.4
282.18140	0.4
326.99802	0.3
332.46167	0.4
333.20261	1.5
365.22922	1.6
413.17679	0.5
421.25769	0.4
439.19623	1.6
453.21115	0.6
469.20511	0.6
485.23691	0.5
513.23145	0.6
551.28241	3.5
553.29651	0.5
583.30975	5.8
628.32977	0.4
679.77301	0.4
690.86176	0.4
712.07349	0.4
723.39539	1.3
749.42114	0.4
765.40204	0.6
795.45929	0.5
807.41327	0.5
893.52319	100.0
894.52893	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	893.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38684	0.5
67.05508	8.8
67.72698	0.4
68.05820	0.5
69.03442	2.6
69.07059	1.7
71.01343	0.7
71.04994	0.7
71.50895	0.5
71.51259	0.7
73.02918	3.4
79.05498	4.1
81.03408	2.1
81.07058	5.5
83.04964	0.8
83.08618	1.1
85.02898	4.5
86.09702	1.8
87.10028	0.6
91.03960	2.4
91.05476	3.2
93.07039	3.6
95.04945	0.8
95.08606	2.9
97.02905	4.4
97.06544	0.6
99.04470	0.9
101.02379	1.2
103.05463	1.3
105.07047	2.3
105.57462	0.5
105.97785	0.5
107.04961	0.6
107.08610	2.1
109.02911	0.6
109.10176	5.7
115.03969	0.5
115.57957	0.5
117.07004	0.6
119.08581	2.0
121.06515	0.6
121.10123	0.6
125.00033	2.0
127.03923	1.5
130.43861	0.5
131.08571	1.5
133.10220	0.5
135.11685	0.9
137.09668	0.7
145.04913	0.7
145.10191	0.6
155.10631	0.6
159.11717	0.8
173.11743	2.0
184.07361	7.3
184.08821	0.7
185.04282	1.1
185.07657	0.8
195.09912	0.6
203.05284	0.7
229.14362	1.4
230.15353	1.0
243.08376	2.4
256.79800	0.5
301.09113	2.4
315.10468	0.5
333.20428	2.9
373.11346	0.8
378.20706	1.4
379.21149	0.7
385.18478	1.4
389.22839	0.6
413.17825	11.0
414.17328	0.5
429.17480	0.6
439.19312	1.3
441.20966	0.5
453.21063	1.8
469.20761	1.5
470.10196	0.5
477.24799	0.6
481.20840	0.5
499.21292	0.9
541.22626	4.8
551.28290	8.0
561.33813	1.1
623.30389	1.8
625.31409	2.8
679.37183	0.9
693.37689	0.7
723.39258	100.0
724.39575	5.0
730.45740	0.8
731.47180	1.5
749.40472	0.8
751.42749	3.6
779.41711	3.1
825.42017	0.6
893.48901	13.5
894.48767	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.5236
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	0.3
65.73592	0.3
67.05510	4.5
69.03428	2.3
69.07067	3.0
70.06599	1.3
71.04993	1.6
72.08158	0.6
73.02907	1.8
76.20286	0.3
79.05495	3.8
79.92533	0.3
81.03429	1.3
81.07058	4.2
83.04988	0.7
83.08615	0.9
84.04475	0.4
85.02908	3.8
86.09705	2.8
87.04468	0.3
89.48662	0.3
91.03963	1.5
91.05492	2.8
92.53110	0.3
93.07050	3.7
95.04971	1.0
95.08615	1.9
97.02885	3.1
97.06539	1.1
97.10173	0.8
98.21591	0.8
99.04455	0.5
101.02400	1.4
103.03959	0.4
105.07046	2.1
107.04986	0.5
107.08605	2.5
109.02916	0.5
109.06520	0.5
109.10178	1.4
111.08085	0.4
117.07035	0.8
119.08604	1.7
121.06571	0.7
121.10157	0.8
123.08138	0.5
125.00014	0.8
125.09668	1.0
125.10722	0.3
127.03940	0.8
131.08594	0.6
133.10129	1.2
135.11725	1.1
141.10324	0.8
145.10155	0.7
147.11731	0.7
149.09700	0.5
149.13297	0.5
159.11734	0.6
169.09775	0.5
184.07330	3.6
203.05325	0.7
229.12903	0.4
243.08400	2.9
301.08994	0.5
326.36172	0.4
333.20383	1.6
335.22021	0.4
365.23016	1.8
389.22861	0.4
413.17886	0.7
421.26028	0.5
439.19788	1.3
453.20975	0.8
467.68716	0.4
469.20782	0.7
485.23962	0.8
517.63947	0.3
551.28296	4.4
552.55804	0.4
583.30743	6.2
749.41138	0.6
765.40332	1.0
795.44513	0.5
807.41211	0.5
893.52264	100.0
894.52527	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	893.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	7.1
69.03442	2.4
69.07069	1.8
71.04987	0.7
73.02917	3.1
75.98509	0.4
79.05495	3.2
81.03433	2.0
81.07056	4.0
81.80875	0.4
83.04980	0.9
83.08654	0.8
85.02916	4.7
86.09718	2.6
91.03969	2.0
91.05511	2.8
93.07038	2.9
95.04950	0.6
95.08613	2.3
97.02917	3.4
97.06562	0.4
97.10194	0.6
99.04463	0.7
101.02405	1.7
103.03973	0.4
105.07070	1.5
107.04973	0.7
107.08627	1.3
109.02901	1.0
109.10162	5.0
114.92738	0.4
117.07029	0.9
119.08614	1.5
121.10163	0.6
125.00043	1.4
127.03925	1.7
131.08568	0.6
133.10172	1.4
145.10220	0.5
147.11736	0.6
155.10669	0.9
164.77318	0.5
173.11812	1.5
184.07356	7.6
185.04268	0.8
185.07599	1.0
195.09961	0.5
198.76492	0.4
201.03789	0.7
229.14468	1.0
243.08304	2.0
301.09045	2.3
315.10403	0.5
318.53064	0.4
333.20352	3.6
371.16788	0.6
373.11288	1.1
373.23611	0.8
385.18527	1.3
389.22861	0.6
413.17844	10.3
429.17606	1.0
431.24200	0.8
439.19727	1.0
449.24844	0.6
453.21112	1.6
457.38644	0.4
469.20447	1.5
477.24597	0.9
481.21021	0.5
499.21860	0.9
504.08688	0.5
512.77423	0.6
513.27026	0.7
530.59503	0.5
541.22528	4.6
551.28271	8.6
561.33795	1.1
583.27240	0.6
591.34778	0.5
606.48889	0.4
623.30060	2.3
625.32269	1.8
626.00842	0.4
637.32245	0.8
651.33405	1.0
665.34979	0.6
693.37836	1.0
723.39270	100.0
724.39606	4.9
749.40662	0.7
751.42584	3.7
779.41760	3.9
893.48431	13.2
894.48755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	892.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	7.2
67.05508	56.3
69.03418	8.1
69.07071	27.9
70.03760	2.2
70.06568	2.1
71.04983	7.3
71.07365	2.2
71.24694	4.8
71.25033	2.3
73.02891	3.6
74.95535	2.0
78.28698	1.9
79.05078	3.9
79.05497	52.3
81.03442	11.5
81.07058	65.0
83.04992	10.3
83.08621	16.4
85.02888	9.1
85.06541	3.7
86.09692	8.7
91.03943	3.2
91.05486	46.9
93.07049	54.0
94.07339	2.2
95.04961	9.6
95.08616	30.0
97.02873	7.4
97.06540	14.4
97.10165	9.3
101.01572	3.9
103.05448	2.5
105.07031	35.2
107.04929	6.9
107.08590	31.4
109.06513	5.9
109.10173	15.7
111.08081	4.0
117.07019	27.7
119.08580	27.9
121.06514	4.7
121.10147	14.1
123.08080	5.2
123.11706	2.6
125.00006	6.7
125.09618	6.3
127.03883	5.1
128.00856	2.1
129.06978	5.5
130.07770	2.1
131.08563	25.7
131.17233	1.9
133.10127	23.7
135.08002	4.2
135.11720	13.2
137.09612	3.3
143.08575	4.6
145.06400	2.3
145.10127	19.7
147.11659	10.4
149.09637	17.5
149.13254	8.5
151.11185	4.3
152.05615	4.5
153.04526	2.5
155.08545	6.4
157.10153	6.3
159.11691	18.8
161.13255	7.6
163.11172	9.0
165.09184	2.2
165.12839	2.3
169.10080	2.9
171.10191	2.0
171.11670	6.7
173.13254	6.9
177.12726	6.4
178.07243	6.7
179.14342	3.3
183.11725	5.1
184.07362	31.0
185.13181	2.7
187.14769	2.2
189.11320	3.2
195.13777	5.6
197.13335	4.5
227.12744	5.1
229.14349	2.8
239.17963	5.6
243.08463	3.0
247.20544	2.4
255.15938	7.5
257.18964	16.8
269.17432	21.2
275.20065	36.2
287.14047	22.0
293.21194	2.6
313.21735	2.3
331.22647	3.9
349.23779	37.0
367.20593	2.9
367.24680	4.2
385.21481	11.7
467.25400	2.7
481.27148	19.1
525.35565	7.0
527.37366	3.3
529.35004	10.4
543.36920	28.4
561.32990	6.3
565.32709	4.8
579.34167	16.5
583.31183	2.8
623.42920	7.6
641.43781	4.6
659.39905	4.6
687.39752	2.2
723.38171	3.4
892.50946	100.0
893.49731	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	891.472
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.0
67.05510	17.9
68.05831	1.4
69.03436	3.8
69.07072	4.8
70.07408	0.4
71.01357	0.5
71.04997	1.3
71.08607	0.6
71.45940	0.4
71.51814	0.8
73.02927	3.1
79.05495	7.2
80.05845	1.1
81.03429	4.1
81.07059	9.7
81.71021	0.5
82.03755	0.5
82.07391	0.9
83.04983	1.8
83.08631	2.9
85.02907	5.5
85.06526	0.7
86.09718	0.8
87.04453	0.7
91.03945	2.5
91.05489	5.6
92.05801	0.7
93.07047	5.5
94.07365	0.6
95.04980	2.0
95.08605	3.9
97.02902	4.7
97.06541	2.0
97.10174	2.3
99.08085	1.4
101.02394	2.3
103.03944	0.8
103.83337	0.5
105.04458	0.4
105.07042	3.5
106.08160	0.5
107.04984	1.6
107.08598	3.5
108.08887	0.5
109.02885	0.9
109.06533	0.7
109.10161	12.0
110.10485	1.2
111.08085	0.7
117.07031	1.5
119.08572	3.3
121.06522	0.8
121.10152	1.8
123.08035	0.9
123.11637	0.6
124.99966	0.6
125.09631	2.5
127.03947	2.0
129.05507	0.6
131.08559	2.3
133.10101	2.3
134.10519	0.7
135.11691	1.6
137.09697	0.8
145.10176	1.3
147.11656	1.0
149.09642	0.5
149.13327	1.0
151.11203	0.7
155.10680	1.3
157.10152	0.8
159.11690	1.7
163.11232	1.4
171.11569	0.7
173.11765	2.9
175.11414	0.6
184.07431	2.1
185.04266	1.3
189.11343	0.5
195.10016	1.0
203.05356	0.7
209.11829	0.5
223.13310	1.5
227.12833	0.9
228.13071	0.5
229.14404	3.6
230.14774	0.9
243.08429	4.2
267.15878	0.6
269.17526	2.0
270.17813	0.9
275.20184	1.4
276.20389	0.6
291.19739	1.4
301.08932	3.1
315.10709	0.6
331.18784	2.9
349.23734	1.2
380.05380	0.5
385.18500	1.0
387.21533	0.4
401.25397	0.8
413.17896	11.2
423.27533	1.4
424.27835	1.1
429.17371	1.0
445.19907	0.5
455.18887	0.5
469.20773	0.9
475.23129	0.9
513.32056	0.6
539.21014	4.1
549.26715	7.4
550.27539	0.5
595.38361	0.7
596.38550	0.8
621.28949	1.4
623.30426	3.5
653.31622	2.0
663.34326	0.6
677.34906	0.8
691.37305	0.6
721.37708	100.0
722.38165	5.7
747.38782	1.0
749.40454	3.8
753.31671	0.6
763.36224	1.1
777.40240	3.4
793.38586	0.5
891.47174	11.8
892.47626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	0.4
66.28020	0.4
67.05508	9.2
68.05833	0.8
69.03439	3.0
69.07078	2.1
69.80489	2.3
71.04999	0.9
73.02924	3.3
78.75658	0.4
79.05499	3.4
81.03423	3.2
81.07059	6.7
83.04998	1.2
83.08629	2.0
85.02910	4.7
85.06568	0.4
91.03953	2.7
91.05486	4.4
93.07047	3.3
94.07404	0.7
95.04966	0.9
95.08620	3.0
97.02895	4.5
97.06520	0.8
97.10178	0.4
97.17622	0.4
99.04487	1.2
99.08135	0.5
101.02394	1.5
105.07047	2.3
107.04958	0.7
107.08601	2.4
108.26649	0.4
109.02890	1.1
109.06560	0.4
109.10161	7.1
110.71728	0.4
111.04494	0.6
111.08078	0.8
117.07149	0.5
119.08601	2.3
121.06478	0.4
121.10165	0.8
123.08118	0.6
123.11697	0.4
123.93960	0.4
127.03996	1.9
129.05539	0.5
131.08604	1.1
133.09296	0.5
133.10132	2.2
135.08090	0.5
135.11760	0.5
145.10150	0.5
147.11752	1.1
155.10686	0.7
159.11699	0.7
173.11713	1.9
175.11276	0.6
185.04230	1.6
193.12292	1.5
194.31816	0.5
195.09949	0.8
200.29059	0.4
229.14415	1.4
243.08400	3.0
261.11102	1.2
269.17511	0.9
270.18051	0.5
273.18546	0.7
285.16763	0.6
301.09009	3.1
311.27222	0.4
313.17859	1.5
315.10547	1.0
331.18796	3.9
331.22278	0.5
335.25928	0.9
336.26181	0.9
339.28818	0.4
355.13861	0.5
357.15274	0.7
369.15079	0.7
371.21808	0.4
373.11255	1.3
385.18283	2.1
387.21329	0.6
411.20367	0.6
413.17825	12.4
413.23129	0.7
413.84521	0.4
414.18237	0.7
429.17471	2.3
437.18265	0.6
451.19598	1.8
455.19046	1.5
469.20486	2.1
475.23093	0.9
479.19504	0.5
485.20258	1.8
530.39325	1.1
531.25964	2.9
531.39655	1.2
532.39984	1.0
539.21179	3.6
539.28473	0.8
549.26837	4.8
549.41266	0.7
559.32892	0.9
583.27161	0.8
621.28766	1.6
623.29956	4.1
635.30664	0.5
649.32373	0.7
652.31055	0.7
653.31287	1.9
677.34436	0.5
691.36884	0.9
703.36682	8.6
721.37726	100.0
722.38379	5.1
747.38971	0.9
749.40979	4.8
759.39160	0.9
777.40057	3.5
793.39948	1.2
823.41589	0.5
873.46466	0.9
891.47339	10.6
892.47351	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	4.5
67.05511	100.0
69.03425	11.3
69.07072	26.8
71.04990	5.5
73.02917	4.3
79.05071	3.9
79.05495	51.8
81.03043	2.1
81.03416	19.7
81.06591	4.3
81.07056	69.3
83.05000	15.2
83.08630	18.7
85.02905	16.4
85.06539	4.8
86.09712	5.1
87.04461	3.6
91.05484	46.0
93.07050	45.6
95.04974	12.0
95.08611	27.2
97.02881	11.8
97.06528	12.8
97.10194	14.6
99.04430	3.1
99.08050	4.2
101.84634	1.8
105.04477	2.4
105.07052	26.8
107.04946	12.1
107.08607	30.7
109.02884	2.4
109.06494	3.8
109.10160	67.0
111.04436	2.1
111.08056	6.1
113.05991	2.2
117.07007	15.7
119.08577	18.4
121.06509	3.0
121.10156	14.8
123.08052	4.5
123.11685	3.9
124.99979	3.5
125.09650	14.9
127.03941	4.4
129.07028	5.7
131.08554	17.8
133.06493	2.4
133.10141	19.2
135.08044	4.9
135.11705	17.6
137.09621	5.9
143.08569	2.2
143.10693	2.3
145.10126	11.9
147.07973	2.8
147.11661	6.0
149.09665	10.0
149.13292	10.7
151.11177	3.3
153.12778	2.5
155.10678	5.1
157.10072	2.8
159.11723	14.3
161.13177	2.6
163.11191	15.0
165.12805	2.2
166.77127	2.1
171.11772	2.8
173.11732	12.7
173.13127	4.3
175.14812	2.1
177.12672	5.3
179.14284	2.7
181.12329	3.8
184.05763	2.8
184.07344	21.3
189.11226	3.0
191.10683	3.2
193.12236	2.6
195.13812	7.2
199.13257	5.8
209.11691	4.9
227.12715	10.5
229.14359	39.8
230.14565	2.5
255.15758	6.1
257.19012	4.7
267.15863	5.0
269.17471	29.3
275.20111	14.5
283.15295	2.7
291.19583	4.1
292.19977	3.1
297.65988	2.1
301.16403	9.3
335.25531	2.6
349.23749	12.5
351.24982	4.2
354.47992	2.2
399.23898	3.3
401.25494	10.7
402.24625	2.4
409.25827	6.2
423.27426	32.9
477.28284	3.1
495.29721	3.7
503.33838	4.3
561.54535	2.1
575.35577	3.1
593.37079	12.4
595.38361	18.1
675.44055	4.1
693.45294	2.3
721.37708	32.4
890.49951	8.5
891.46918	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	891.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03957	0.5
67.05502	2.6
69.03433	3.6
69.07062	0.5
70.06615	0.5
71.01359	0.6
71.04978	0.9
71.51485	0.6
73.02922	3.6
79.01868	0.7
79.05490	3.0
80.59094	0.3
81.03419	5.6
81.07054	2.5
83.04981	0.8
83.08630	1.6
85.02911	7.3
85.06546	0.5
87.04493	0.6
91.03962	3.8
91.05489	3.6
93.07071	1.6
95.04974	2.0
95.08614	1.2
97.02898	6.2
101.02388	1.9
103.03971	0.5
105.07027	2.2
107.04977	1.1
107.08626	1.3
109.02910	1.3
109.06535	0.9
109.10138	0.6
111.04498	0.5
111.08102	0.9
113.06020	0.4
119.08634	1.6
121.02914	2.0
121.10187	1.4
127.03930	2.2
127.97314	0.4
129.07051	1.2
131.08600	1.4
133.10147	1.4
136.07639	0.5
141.97717	0.4
142.07790	0.6
143.03375	0.4
147.11732	1.6
149.09665	1.5
153.01842	12.8
153.02898	0.8
157.10194	1.3
175.11261	1.3
182.46953	0.4
193.12283	1.9
201.07872	0.4
203.05351	0.8
211.13344	1.0
225.15015	0.5
243.08325	2.1
251.12779	0.9
261.03992	0.8
267.16031	0.9
283.15219	2.4
285.16730	0.5
290.83517	0.4
305.03101	0.9
307.15387	0.6
339.17938	0.6
347.09634	2.5
365.10703	0.7
382.58115	0.4
405.13699	6.4
459.33209	0.4
469.20441	8.1
474.47510	0.5
501.23044	7.9
631.25818	6.0
663.28314	7.8
729.36975	2.5
891.41974	100.0
892.42072	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	890.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80629	1.1
65.03936	4.9
67.05508	100.0
68.05850	2.0
69.03431	5.9
69.07072	50.0
70.06590	2.1
71.01369	1.4
71.05013	7.2
72.85719	1.0
73.02901	2.7
79.05499	52.6
81.03420	11.6
81.07060	81.4
83.04991	10.3
83.08615	19.3
85.02914	4.2
85.06548	4.7
86.09715	3.9
89.97271	1.3
91.04906	3.1
91.05481	55.4
93.07047	51.9
93.07637	2.8
95.04971	15.3
95.08612	41.3
97.02892	6.1
97.06531	18.4
97.10180	11.4
99.08092	4.5
103.05465	1.7
105.04504	2.1
105.07025	44.3
107.04970	10.9
107.08596	37.7
109.02853	1.6
109.06523	7.5
109.10159	41.6
111.04479	1.5
111.08065	6.2
113.09692	1.2
115.05492	2.2
117.07018	18.7
119.08591	34.2
121.06532	6.4
121.10151	17.4
123.08054	7.2
123.11703	5.2
125.00015	2.8
125.09634	11.9
127.03936	1.9
128.06258	2.0
129.05521	2.3
129.06985	7.6
131.08577	22.3
133.06500	2.4
133.10130	24.7
135.08080	7.5
135.11687	11.6
137.09621	13.1
139.11156	1.2
141.06985	3.0
143.08546	7.0
145.06418	2.5
145.10141	15.1
147.08051	4.6
147.11707	16.7
149.09622	19.6
149.13255	11.1
151.11177	4.3
155.08551	4.4
155.10677	3.4
157.10168	6.5
159.11708	16.4
161.09622	3.7
161.13283	5.5
163.11179	10.7
165.09120	2.4
165.12688	2.2
169.10133	5.2
171.10173	3.0
171.11700	5.2
173.09616	2.1
173.11755	12.3
173.13286	7.2
175.11217	2.9
177.12750	5.8
179.14304	4.5
183.11713	4.8
184.07390	12.9
185.13223	2.2
187.11107	1.6
187.14737	1.5
189.11266	4.8
189.12766	2.8
195.11870	1.7
195.13837	4.7
197.13284	2.8
199.14822	1.7
213.14784	1.9
219.13873	1.3
227.12798	10.4
229.14323	22.0
229.19501	3.6
239.17981	3.7
247.20618	4.4
253.14392	2.2
255.15961	3.9
257.18991	8.8
267.15988	4.3
269.17477	16.1
273.18497	4.9
275.20071	46.2
285.16904	1.6
291.19482	5.4
293.21054	5.5
321.24292	1.5
325.20200	1.5
331.22525	2.8
349.23752	38.3
365.23300	4.8
367.24811	6.5
383.24408	11.6
400.76901	1.2
409.25800	2.5
423.27487	14.1
445.29416	1.5
449.29059	2.1
463.30090	2.8
503.33862	11.8
506.64957	1.3
521.34216	2.3
525.35742	1.7
529.35437	2.5
543.36798	14.6
559.35724	1.7
561.37793	2.0
623.43323	8.5
641.43878	4.8
891.48175	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	888.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	6.9
67.05507	95.5
69.03427	9.7
69.06731	2.9
69.07073	40.2
70.63724	3.0
70.64036	3.1
71.01343	2.5
71.04996	18.9
73.02917	3.6
73.06533	2.3
77.03933	2.2
79.05496	70.0
81.03416	21.3
81.07060	100.0
83.04985	13.9
83.08622	21.5
84.23602	1.9
85.02899	6.1
85.06536	7.0
87.20506	1.9
91.05486	62.2
93.06486	3.5
93.07047	70.1
95.04967	12.9
95.08062	3.2
95.08614	41.7
97.02888	5.3
97.06535	28.4
97.10182	11.5
99.08076	6.6
105.04501	2.0
105.07031	46.4
107.04964	15.2
107.08595	52.8
109.02882	3.0
109.06519	14.9
109.09486	2.3
109.10168	32.8
111.08080	12.2
115.05443	3.8
115.07526	3.3
117.07016	25.8
119.08585	35.2
121.06497	8.3
121.10156	22.4
123.08061	7.6
123.11723	4.7
125.09647	11.4
127.03873	4.0
128.06157	2.2
129.07030	11.2
130.07808	3.8
131.04897	1.9
131.08563	34.4
133.06540	2.6
133.10133	31.9
135.08043	7.7
135.11696	21.1
136.47275	1.9
137.09578	5.5
141.06967	4.8
142.07751	2.2
143.08598	10.5
145.10133	28.5
147.11690	15.9
149.08565	2.3
149.09625	17.0
149.13249	16.0
151.11218	3.6
155.08577	6.3
155.10672	4.0
157.10155	10.6
159.08012	2.8
159.11700	26.0
161.09621	5.4
161.13232	6.7
163.11154	13.6
169.10104	6.8
171.08125	2.4
171.11690	8.6
173.04436	7.0
173.09593	2.7
173.11835	3.0
173.13283	6.1
175.11157	2.3
175.14790	2.5
177.12711	6.1
179.14267	2.1
181.10106	1.9
183.11667	7.8
184.07280	2.3
185.13243	5.9
187.11125	2.9
187.14867	2.1
189.11180	4.7
189.12741	3.4
191.82240	1.6
193.12230	2.6
195.11784	2.4
195.13805	6.9
197.13240	4.0
199.11229	2.4
199.14842	2.7
201.12718	3.0
203.14302	1.8
209.13263	3.5
211.14711	4.0
213.16446	2.9
217.15881	2.2
227.12732	11.6
229.14383	14.9
229.19501	2.9
239.17975	3.5
247.20631	2.9
251.16338	2.7
255.15904	7.1
257.15479	2.1
257.18976	12.6
269.17496	34.3
273.18460	4.6
275.17300	3.6
275.20087	46.9
276.20612	2.4
291.19351	2.7
293.21140	3.5
313.21469	2.8
327.23059	2.9
331.22647	8.2
349.23782	33.3
353.24713	2.7
367.24783	4.4
409.25714	6.9
413.21661	5.9
417.29977	2.2
423.27469	28.7
423.32779	3.0
431.28079	3.9
433.30737	4.5
445.29340	8.6
449.28992	23.3
451.32077	3.1
463.30585	34.2
464.31119	2.5
477.31979	2.1
503.33313	6.5
515.37292	4.4
521.34882	2.8
525.36115	13.2
529.34753	7.8
543.36884	76.0
544.37292	3.7
550.10315	2.0
561.37860	15.2
575.39893	4.3
589.33521	3.1
593.33081	3.3
607.34668	14.4
623.43091	10.1
687.40894	4.6
705.42035	4.2
922.78180	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	888.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.0
65.52067	1.1
67.05507	96.1
68.05844	1.8
69.03439	8.2
69.07072	27.0
69.71660	1.9
69.72072	5.6
71.01383	1.6
71.05007	5.8
73.02914	5.0
76.10182	1.1
79.05495	64.7
81.03419	10.0
81.07059	97.1
82.07391	1.4
83.04994	8.4
83.08625	21.8
85.02904	20.9
85.06530	3.9
87.04468	2.0
91.03951	9.2
91.05480	39.7
93.07048	65.2
95.04967	8.3
95.08607	42.2
97.02893	12.5
97.06538	10.3
97.10175	8.9
99.04461	1.5
99.08103	2.3
105.04504	2.6
105.06329	1.3
105.07034	26.5
107.04978	6.0
107.07880	2.2
107.08604	40.4
109.02851	1.4
109.06525	4.7
109.10159	34.1
111.08086	5.6
113.06036	1.4
115.05504	1.8
117.07034	13.9
118.98861	1.3
119.08588	16.8
121.06506	4.0
121.10152	17.2
123.08060	2.8
123.11709	7.1
125.09622	7.1
127.03939	3.6
129.07016	4.2
131.08577	17.8
133.06439	1.8
133.10129	18.2
135.08115	2.4
135.11684	15.3
137.09615	2.9
137.13191	1.4
143.08560	3.5
145.04980	3.1
145.10175	11.0
147.08063	2.6
147.11710	8.6
149.09668	2.0
149.13258	15.4
151.11214	3.5
153.12726	1.2
155.10689	1.9
157.10150	2.5
159.11702	14.1
160.33862	1.3
161.09622	1.3
161.13275	4.5
163.06026	3.7
163.11224	4.7
165.12767	1.5
171.11697	2.9
173.11748	4.5
173.13283	5.7
177.12794	6.6
179.14262	1.2
183.11655	1.3
187.14880	2.0
191.10672	1.3
193.12312	2.0
195.13792	12.8
199.13286	2.4
211.13342	1.4
213.14793	1.5
223.13344	4.9
227.12854	3.6
229.14357	16.6
243.21053	2.7
253.14363	3.1
253.18027	1.3
258.08893	1.6
261.22229	10.7
267.16052	2.9
269.17487	71.7
273.18576	3.8
275.20059	2.8
277.21701	1.5
281.17538	2.1
291.19562	30.1
293.21146	4.4
301.16479	3.1
317.24814	2.6
335.25809	69.1
336.25998	2.1
349.23648	1.7
365.23279	11.6
399.23553	1.6
401.25363	3.1
437.34305	4.4
455.35669	1.9
511.37881	3.0
519.33337	9.6
529.38934	100.0
530.39154	5.7
547.40051	2.8
691.43719	2.7
886.29053	1.5
888.49182	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	888.5681
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80489	1.2
65.03933	5.1
67.05510	100.0
69.03432	12.1
69.07073	41.2
69.77477	1.3
71.01358	1.3
71.04995	16.6
71.51801	1.8
73.02929	1.6
73.06570	1.5
77.03936	1.5
79.05499	74.1
81.03423	21.0
81.07063	98.4
83.04993	15.9
83.08628	23.2
85.02916	7.9
85.06525	4.9
87.04482	2.3
89.27731	1.4
91.05489	61.4
93.07050	71.2
94.04175	1.5
95.01351	1.4
95.04969	17.5
95.08615	50.5
97.02888	8.4
97.06538	27.0
97.10174	15.2
99.04442	2.6
99.08104	3.7
103.05463	3.2
105.04515	2.8
105.07036	50.1
107.04960	15.1
107.08592	44.4
109.02875	3.4
109.06520	14.1
109.10163	32.5
111.04464	3.0
111.08076	8.9
111.11707	1.4
113.09644	1.5
115.05473	3.5
115.07549	2.0
117.07029	29.2
119.08590	35.9
121.06528	11.0
121.10138	24.5
123.04468	1.8
123.08073	5.8
123.11708	4.7
124.99973	1.5
125.09631	11.8
127.03918	5.6
127.07583	1.7
128.06245	4.0
129.05499	2.9
129.07004	12.6
131.04919	2.0
131.08580	32.7
131.09532	2.3
133.06508	4.1
133.10135	32.8
135.04424	1.6
135.08067	9.5
135.11700	19.5
137.06009	1.6
137.09639	7.2
139.11259	1.8
141.06976	5.0
142.07762	2.3
143.08554	12.6
144.09338	1.8
145.06508	3.1
145.10121	24.6
146.10480	1.8
147.08047	3.9
147.11691	19.3
147.99504	1.3
149.09625	19.8
149.13297	13.0
151.11156	5.0
153.09181	1.6
155.08577	5.8
157.10156	13.9
159.08043	3.7
159.11697	21.3
161.09625	4.7
161.13257	6.0
163.11194	14.0
165.12817	2.2
166.07825	1.7
167.08559	2.0
167.10692	1.7
169.10141	7.8
171.08072	1.8
171.10234	2.4
171.11646	10.5
173.04456	3.8
173.09656	3.1
173.11795	3.8
173.13286	7.9
175.11232	5.9
177.12775	5.0
179.14343	4.4
181.10106	4.3
181.44809	1.4
183.11662	6.7
184.07379	2.5
185.09605	1.7
185.13283	5.7
187.11253	2.8
187.14760	2.8
189.11266	4.3
193.12402	1.7
195.11780	2.8
195.13861	5.4
197.13281	5.1
199.11250	2.0
199.14891	1.7
201.12807	1.6
201.16504	1.6
209.13260	2.4
211.13097	1.6
211.14915	1.9
213.12857	2.4
213.16487	2.1
215.14374	2.0
217.15923	1.7
223.13147	2.0
223.15039	2.4
227.12692	9.3
227.17984	1.5
229.14343	15.6
229.19514	2.5
233.15344	2.2
239.18007	4.0
245.19055	1.8
247.20622	2.8
249.15063	1.8
255.15784	6.7
257.18964	12.1
267.15967	3.9
269.17499	21.0
273.18509	6.1
275.20090	42.1
276.20209	1.5
289.18210	2.1
291.19620	14.5
293.21185	3.9
321.17038	1.7
321.21884	1.6
331.22806	5.1
339.18231	1.3
349.23761	29.4
365.23267	5.0
367.24768	2.4
409.26047	1.8
413.21625	4.0
423.27393	10.6
431.27780	5.7
433.30902	1.6
445.29431	6.4
449.29080	18.3
451.32343	2.2
463.30707	21.1
469.32986	2.7
495.03146	1.5
503.33850	8.7
507.34665	2.4
515.37183	4.3
519.32831	4.0
525.35919	10.9
529.35522	8.1
541.35144	2.2
543.36877	56.9
544.37158	2.1
559.36603	2.7
561.37805	10.0
575.39539	6.3
589.34198	2.0
593.34155	3.6
601.63043	1.5
605.41132	2.1
607.34735	11.2
609.37433	1.6
623.43152	7.9
639.42334	3.9
641.43811	4.4
655.45490	3.8
673.45520	1.7
687.40814	3.8
705.41913	2.6
815.20428	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	888.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.8
65.88130	1.1
67.05511	100.0
69.03426	8.1
69.06726	1.8
69.07075	24.5
70.63240	2.9
70.63605	2.3
71.01343	2.2
71.04986	6.2
71.61953	1.2
73.02908	3.3
79.05499	48.3
81.03426	16.7
81.07063	70.9
83.04988	11.8
83.08624	18.8
83.55745	1.2
85.02910	11.1
85.06541	4.9
87.04457	4.4
91.05490	40.0
93.07050	48.4
95.04980	12.5
95.08620	26.5
97.02895	6.0
97.06533	12.9
97.10173	14.1
98.90478	1.2
99.04463	1.5
99.08097	4.1
103.05457	1.9
105.04567	1.9
105.07036	27.2
107.04961	8.0
107.08598	30.1
109.02871	1.9
109.06523	8.7
109.10166	58.9
111.04465	1.8
111.08097	9.4
115.05460	1.8
117.07019	15.5
119.08594	22.2
121.06510	3.4
121.10156	14.8
123.08046	6.1
123.11700	4.3
125.09647	10.7
127.03941	2.1
128.06245	1.3
129.05453	4.9
129.07013	4.2
130.07790	1.4
131.08571	11.1
133.06496	1.6
133.10133	14.8
135.08069	5.1
135.11710	16.6
137.09621	3.5
139.11185	2.1
143.08585	3.8
143.10709	1.7
145.10139	11.2
147.08040	1.9
147.11729	9.5
149.09636	7.6
149.13277	12.8
153.09155	1.2
153.12762	1.7
155.08580	1.9
155.10672	6.1
157.10156	3.5
159.11717	10.8
161.13249	2.1
163.11223	10.2
165.12798	1.9
171.11670	2.4
173.04440	1.5
173.09648	2.3
173.11739	12.9
173.13287	4.1
175.11182	2.8
177.12759	3.7
179.14348	2.0
181.12250	3.3
183.11673	1.3
191.10690	1.7
193.12309	1.6
195.13818	7.4
199.13283	4.2
209.11754	4.1
227.12831	7.4
229.12091	2.6
229.14372	38.3
239.18077	1.4
251.16383	2.1
255.15910	11.3
257.13925	2.3
257.18991	3.7
267.15903	6.4
269.17514	28.5
275.20074	16.7
283.15335	4.6
301.16388	8.2
349.23868	11.5
367.24808	2.0
399.23898	17.4
409.25601	8.4
423.27414	30.1
454.82877	1.3
459.26956	1.6
477.28549	3.3
495.29572	7.4
503.33450	6.1
529.38776	2.1
539.82471	1.3
579.35266	2.7
593.36877	27.7
594.37427	1.7
673.43085	3.4
691.43762	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	888.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	5.2
67.05510	100.0
68.05828	1.0
69.03440	8.4
69.04498	1.0
69.06734	2.0
69.07075	27.2
69.81448	1.0
69.82320	5.4
71.01339	1.9
71.04989	7.7
73.02914	3.4
73.43135	0.9
73.65216	1.0
79.05498	52.9
81.03426	23.0
81.07063	76.1
82.63022	1.0
83.04981	15.0
83.08624	20.4
85.02911	12.2
85.06557	5.3
87.04459	3.4
91.05485	46.9
93.07051	47.1
93.07637	2.6
95.04978	12.8
95.08613	28.0
97.02905	8.6
97.06528	13.7
97.10179	13.4
98.20815	1.3
99.04451	2.6
99.08093	3.5
103.03972	1.0
103.05470	1.3
105.04512	2.1
105.07039	29.5
107.04951	10.1
107.08604	30.8
109.02902	2.0
109.06510	7.6
109.10167	52.4
109.10928	2.5
110.10501	1.3
111.04421	3.2
111.08109	6.9
113.09652	1.7
115.05460	1.7
117.07016	14.6
119.08590	26.3
121.06504	4.9
121.10155	14.1
123.08031	4.0
123.11660	3.3
125.09636	14.0
127.03916	2.8
128.06242	1.2
129.05487	3.1
129.07045	5.7
131.05022	1.1
131.08582	16.7
133.06445	1.6
133.10139	17.1
133.72054	1.1
135.08063	3.8
135.11711	15.8
137.09613	5.8
141.07010	1.3
143.08571	3.7
145.06592	1.2
145.10123	12.9
147.08055	2.6
147.11691	8.8
149.09619	11.4
149.13278	10.5
151.11200	2.1
153.09154	1.2
153.12718	2.5
155.08560	2.6
155.10675	6.7
157.10097	4.0
159.11707	12.7
161.13246	3.2
163.11183	10.6
165.12837	2.4
169.10132	2.6
171.10286	1.6
171.11676	2.7
173.04434	2.2
173.09576	2.8
173.11736	13.6
173.13216	2.7
175.11223	2.0
177.12801	4.7
179.14368	2.5
181.12206	4.0
183.11729	2.1
185.13228	1.6
187.14763	1.5
189.11147	2.7
191.10683	4.1
193.12308	4.9
195.12260	1.3
195.13782	7.2
197.13257	1.3
199.13333	6.0
203.14354	1.1
209.11723	6.1
211.13345	1.5
215.14357	1.2
219.13834	1.4
227.12759	10.4
229.14352	39.1
229.19472	1.9
238.97037	1.0
239.18088	2.5
247.20753	1.7
251.16321	1.4
255.15904	11.3
257.19058	7.2
267.16110	6.3
269.17477	21.1
275.17432	1.0
275.20096	26.2
275.96631	1.1
283.15341	3.9
293.21106	1.2
301.16452	7.6
331.22610	1.3
349.23776	19.1
367.24786	2.9
391.46994	1.0
393.26624	1.2
395.20740	1.4
399.23837	15.6
401.22018	1.1
409.25922	10.2
411.27029	1.3
413.21576	2.0
423.27454	22.0
447.27902	1.5
460.37085	1.3
474.80466	1.3
477.28561	1.3
495.29453	4.3
503.33768	9.3
521.34521	1.9
575.35791	2.7
579.35266	4.8
581.37299	1.2
593.36902	26.1
673.43329	6.0
691.44000	2.2
797.77240	1.1
890.57263	1.5
919.78485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.7
67.05507	100.0
68.05844	1.6
69.03433	9.5
69.07072	59.0
70.75863	3.5
71.01360	3.1
71.04999	7.5
73.02917	3.3
77.03928	1.7
79.05497	59.8
81.03424	19.8
81.07058	68.3
81.72166	1.1
83.04983	12.7
83.08621	18.0
85.02909	9.9
85.06544	4.2
87.04460	1.8
91.03952	2.7
91.05482	61.3
93.07044	52.2
93.07640	2.5
94.04161	1.4
94.07365	2.0
95.04979	14.1
95.08613	38.5
97.02894	6.7
97.06531	17.2
97.10167	16.9
99.04435	2.0
103.05505	2.2
105.04501	2.7
105.07032	42.2
107.04952	13.7
107.08595	32.1
108.08886	1.3
109.02854	1.8
109.06524	6.5
109.10162	44.0
111.04463	1.5
111.08076	8.4
113.06042	1.2
115.05453	2.8
116.04708	1.9
117.07030	15.9
119.08588	27.1
121.06490	3.3
121.10159	15.1
123.08126	6.1
123.11697	3.9
125.09629	18.2
127.03934	2.8
127.07555	1.6
128.06216	2.4
129.05489	4.4
129.07018	7.5
130.07794	2.1
130.16525	1.1
131.08575	19.5
133.06485	3.2
133.10138	23.6
135.08089	5.6
135.11681	13.8
137.09656	10.6
141.07068	2.3
142.07802	1.7
143.08554	6.4
145.05002	1.6
145.06444	1.9
145.10130	15.9
147.08090	2.6
147.11688	11.4
149.09636	19.2
149.13239	4.2
151.11179	4.7
153.09055	1.5
153.12811	2.1
155.08559	3.6
155.10713	2.2
157.08696	2.2
157.10118	7.2
159.11694	13.0
161.09651	4.0
161.13268	5.7
163.11186	12.1
163.14882	1.8
165.09196	1.6
165.12811	1.5
169.10109	3.3
171.10168	4.3
171.11705	6.2
173.11742	8.7
173.13278	6.7
175.11238	4.2
175.14775	1.6
177.12791	4.9
179.14322	6.2
183.11734	3.6
185.13312	2.5
187.11136	2.3
187.14838	2.8
189.11288	6.2
189.12779	1.8
193.12279	2.2
195.13879	3.1
197.13330	2.0
199.13277	2.7
199.14963	1.4
205.12296	1.4
211.13182	1.7
215.17946	1.3
223.13326	2.2
227.12805	15.5
229.14355	14.3
229.19484	2.5
239.18028	1.8
243.15950	2.5
247.20558	3.4
253.14523	2.1
253.17961	2.7
255.15889	4.5
257.19067	5.4
263.20212	1.2
267.15994	2.7
269.17496	3.9
273.18509	4.7
275.20074	29.5
276.20593	1.4
283.15451	2.5
291.19583	7.7
292.19968	1.7
293.21085	3.0
299.20065	1.3
301.16330	2.8
321.24072	1.4
331.22546	2.6
349.23761	29.2
349.28052	1.4
365.23169	2.4
383.24326	1.8
399.23544	5.5
405.26599	1.2
409.24866	1.3
423.27600	2.3
445.29208	1.8
503.33527	7.2
527.37097	2.4
575.35901	1.4
593.36725	2.7
623.42859	4.3
641.42603	1.3
673.42773	3.6
869.61316	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03950	3.8
66.04729	0.6
67.05508	83.1
68.05863	0.8
68.99799	0.8
69.03432	6.8
69.07070	16.8
71.01363	1.0
71.05000	6.1
71.08631	0.6
73.02927	1.5
77.03924	0.8
79.05498	38.1
80.05798	0.9
81.03423	14.7
81.07061	59.3
83.01318	0.6
83.04987	11.2
83.08622	10.6
85.02906	9.0
85.06548	6.7
87.04472	3.6
87.10842	0.6
91.05484	51.7
93.07049	32.1
95.04971	11.6
95.08614	18.0
97.02901	3.3
97.06543	7.1
97.10172	8.9
99.04465	2.2
99.08124	1.5
103.05451	1.1
105.04543	1.0
105.07038	40.8
107.04970	8.6
107.08602	33.1
109.02911	1.3
109.06525	9.9
109.10161	71.1
110.71240	0.7
111.04463	1.7
111.08090	4.7
113.06007	1.8
115.05456	1.7
116.06233	0.7
117.07005	7.1
119.08588	13.5
121.06504	7.7
121.10146	6.9
123.04456	1.1
123.08099	4.2
123.11720	8.6
125.09631	10.8
127.07568	1.9
128.06226	2.2
129.05492	2.4
129.07016	4.0
130.07785	0.8
131.08580	11.6
133.06483	4.0
133.10138	59.9
135.08043	6.5
135.11681	6.0
137.09605	4.1
141.07048	0.8
142.07736	1.4
143.08563	4.5
143.10709	0.8
145.06509	1.0
145.10107	8.0
147.08058	3.9
147.11690	3.7
149.09624	5.4
149.13252	1.7
149.24916	0.7
151.07550	0.7
151.11188	31.0
153.12743	1.5
155.08575	1.3
155.10675	2.5
157.08759	1.2
157.10141	2.8
159.08029	1.2
159.11710	2.5
160.11224	1.3
161.09615	6.0
161.13232	1.2
163.07643	1.1
163.11201	5.3
165.09120	1.3
165.12805	0.7
167.10646	0.9
169.10114	1.3
169.12245	6.8
171.11652	1.6
173.09625	2.1
173.11778	8.3
173.13252	1.1
175.11169	3.5
177.09155	1.6
177.12729	0.7
179.10716	2.8
181.12309	1.6
183.11670	0.8
184.07278	0.7
185.13278	1.2
187.11218	0.8
189.11223	0.9
189.12746	1.4
191.10710	1.8
193.12270	2.6
195.11830	0.8
197.11743	0.8
199.11494	0.9
199.13242	3.6
203.14400	0.8
205.12292	0.7
209.11732	3.5
211.13300	0.9
213.12598	0.7
213.16341	0.6
215.12727	3.6
215.14523	0.6
217.19540	0.6
223.13249	1.4
227.12808	3.9
227.18011	1.6
229.14366	20.8
235.13109	0.8
237.16612	0.9
245.19119	3.4
251.12779	1.9
253.14365	100.0
254.14690	1.9
255.17432	1.5
258.08887	1.6
263.20166	3.6
267.15939	1.9
271.15387	2.0
273.18488	21.4
283.15472	0.9
291.19559	18.8
301.16516	5.5
309.20630	1.4
313.27313	0.7
347.22195	6.4
365.23233	21.7
391.79666	0.7
395.24261	1.8
399.23810	14.9
425.25378	12.4
479.26343	1.9
489.32275	1.0
497.27625	3.4
501.32272	2.1
507.32907	1.0
519.33282	14.9
591.35052	2.8
593.32227	0.8
595.34558	0.9
609.35718	1.1
671.41663	1.1
689.42621	16.5
690.42932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48529	0.7
64.29997	0.6
65.03950	1.0
67.05180	1.1
67.05510	14.7
69.03420	2.5
69.07082	4.2
70.06630	0.6
70.76801	1.7
70.77140	0.7
71.04977	3.1
73.02907	1.4
75.12009	0.8
79.05067	1.3
79.05497	17.3
81.03423	75.5
81.07060	19.2
83.04985	8.1
83.08621	21.4
85.02438	1.2
85.02913	13.8
85.06562	1.2
91.03948	2.5
91.05489	23.1
93.07038	11.2
95.04977	24.5
95.08598	6.4
97.02898	3.7
97.06533	3.8
97.10172	6.3
99.08097	1.0
105.07034	16.7
107.04946	8.3
107.08588	6.5
109.06540	4.7
109.10179	3.6
110.09553	0.6
111.04456	2.5
111.08101	6.7
113.05997	1.4
115.05466	1.9
117.07005	2.6
119.04922	1.4
119.08583	15.2
121.06512	4.6
121.10155	8.2
123.04407	1.0
123.08074	3.0
125.09647	4.2
127.03989	0.9
129.07016	11.1
131.08582	11.8
133.06537	3.6
133.07317	0.7
133.10132	7.3
135.08041	1.6
135.11662	0.9
137.06020	1.0
137.09619	1.8
142.07784	2.8
143.08636	0.7
145.04901	0.8
145.06509	5.3
145.10129	3.3
147.04384	0.7
147.08061	4.8
147.11708	10.8
149.09631	7.5
153.09090	0.8
155.08493	1.4
157.06560	1.2
157.10135	14.3
159.08035	1.3
163.05933	0.7
163.11186	1.9
165.12781	2.9
169.10149	0.9
171.08128	1.1
171.11641	1.5
173.09653	1.0
175.11200	12.8
183.08121	1.2
185.13278	1.0
187.11150	0.8
189.11205	1.6
191.82935	0.8
193.12263	35.1
194.12430	0.8
195.11751	1.6
197.13205	1.1
205.12227	1.1
211.13301	13.2
213.12817	1.2
227.12610	1.2
229.14233	1.2
233.15315	1.2
249.14807	1.5
255.13779	2.4
259.13324	0.9
267.15930	100.0
268.16272	2.4
271.00470	0.7
273.14877	5.8
283.15305	1.1
285.17001	11.4
301.14301	1.4
309.16971	1.1
341.21268	1.6
349.21753	4.0
357.24286	1.2
367.22818	8.1
385.23813	10.0
403.24701	2.7
415.24762	0.9
421.25943	0.7
433.25934	17.2
434.26291	1.0
441.26389	6.4
459.27432	74.6
460.27783	5.0
471.00165	0.9
477.28522	42.5
478.28625	1.9
501.28546	2.0
519.29279	3.4
585.30939	1.7
603.31287	1.3
621.32385	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.516
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.1
67.05508	59.7
69.03437	10.1
69.07072	25.0
69.44737	4.1
71.01356	0.9
71.04999	3.4
71.05312	0.6
72.35567	0.6
73.02898	1.3
75.40740	0.6
77.39231	0.5
79.05497	30.3
81.03418	12.0
81.07059	33.1
83.04980	6.8
83.08625	12.3
84.08145	3.9
85.02910	6.3
85.06544	2.3
85.59727	0.6
87.04464	1.9
91.05484	25.8
93.07046	20.9
93.07641	1.1
95.04982	9.1
95.08614	14.2
97.02888	8.6
97.06541	5.6
97.10172	16.5
103.03890	0.7
103.05509	0.9
105.03409	0.7
105.04513	0.8
105.07036	16.9
107.04965	7.9
107.08598	16.1
108.05739	0.7
109.02889	0.7
109.06513	3.8
109.10165	39.2
110.39259	0.6
111.04454	1.7
111.08080	4.1
112.18845	0.6
113.02301	0.7
115.05449	1.8
116.06226	0.8
117.07021	7.2
119.04957	1.5
119.06134	0.7
119.08585	13.3
121.06510	3.8
121.10148	5.0
123.04406	0.9
123.08089	4.0
123.11694	1.3
125.05962	0.7
125.09634	13.7
127.07553	0.7
128.06290	1.2
129.05501	3.1
129.07010	4.5
130.07814	0.9
130.08661	5.6
131.08560	9.0
133.06490	3.8
133.10129	9.4
134.07268	1.3
135.08067	4.4
135.11722	4.4
137.09628	3.9
141.07007	0.9
142.07793	1.1
143.08653	3.0
143.10695	1.1
145.06485	1.3
145.10127	7.3
146.08109	0.7
147.08060	5.8
147.11682	3.6
149.05968	0.6
149.09639	3.6
149.13287	1.9
151.11180	4.2
153.09097	1.8
153.12738	2.1
155.08563	1.4
155.10667	3.7
157.08685	1.1
157.10107	3.0
159.08121	0.7
159.11696	2.9
161.09642	2.4
161.13274	0.9
162.10417	1.0
163.11186	6.0
165.09128	1.7
169.12273	1.8
171.10225	1.3
171.11679	1.5
173.09599	1.3
173.11742	8.9
175.11194	2.3
177.12750	0.9
179.10608	0.7
181.12221	1.3
181.14165	0.5
189.11269	4.8
189.12784	1.2
191.10709	2.0
193.12288	2.8
195.13826	1.1
196.60130	0.6
199.11488	0.8
199.13260	3.9
203.10724	0.6
205.12274	2.0
209.11752	3.7
211.13307	1.7
223.13307	17.6
227.12775	7.5
227.17911	0.6
229.14371	30.5
230.14629	0.7
245.19077	1.9
249.14900	3.2
253.14328	7.0
263.20135	1.4
267.15909	3.1
273.18515	13.1
275.20251	0.7
283.15442	2.1
285.88120	0.6
287.52917	0.6
291.19553	100.0
292.19858	3.0
301.16455	7.2
347.22137	2.3
365.23273	32.3
366.23477	1.1
388.27411	0.7
399.23846	10.6
425.25082	1.0
489.32153	1.9
507.33163	2.5
519.33191	26.3
557.34735	0.9
573.33704	2.1
591.35352	5.1
597.95190	0.6
609.36365	1.3
689.42523	11.2
690.43256	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03904	1.1
67.05508	46.0
67.05853	1.7
69.03399	1.3
69.07066	6.6
71.05002	13.5
71.08636	16.4
73.02879	2.2
79.05490	5.8
81.03430	2.4
81.07061	16.5
81.16197	0.5
83.04988	2.6
83.08615	9.9
85.02901	8.2
85.06497	2.2
85.10185	10.2
87.04436	0.5
91.03962	5.9
91.05479	7.2
93.07058	6.9
95.04943	0.6
95.08611	20.0
97.02891	4.7
97.06496	2.6
97.10167	4.0
99.04434	1.3
99.08064	1.1
99.11726	0.9
105.06992	0.9
107.07932	0.6
107.08583	4.8
108.70766	0.5
109.10159	48.2
110.10472	0.7
111.08037	1.7
111.11683	0.7
113.56568	0.5
117.06995	1.3
119.08576	5.6
121.10115	1.7
123.11722	3.5
125.09618	0.7
127.03864	2.2
133.10017	0.6
135.11693	6.0
137.09605	6.7
137.13249	1.1
145.04936	2.3
145.10086	1.8
151.14729	0.5
155.10655	2.8
160.11209	0.6
163.05977	2.2
163.11227	2.4
169.12187	1.2
173.11765	7.1
181.12221	1.1
202.06027	0.5
211.13330	0.5
229.14445	1.1
239.23692	1.6
243.15944	1.3
255.15958	4.2
287.18558	17.6
313.27390	16.1
467.37347	78.0
468.37799	3.1
481.38940	2.1
493.38852	6.0
525.41528	100.0
526.41821	4.6
805.84418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4487
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	1.5
67.05511	15.2
69.03419	3.2
69.07064	3.4
70.06588	1.3
71.05005	2.9
71.51650	1.4
73.02925	1.9
79.05498	18.6
81.03423	49.9
81.07065	17.9
83.01351	1.1
83.04964	6.8
83.08617	14.3
85.02882	5.4
85.06541	2.1
90.76519	1.0
91.03963	1.4
91.05484	16.4
93.06480	1.7
93.07051	22.9
95.04967	18.4
95.08613	19.5
97.02881	5.7
97.06536	2.7
97.10177	3.4
99.04459	2.4
105.07040	9.8
107.04942	10.1
107.08589	15.6
109.02853	1.6
109.06503	5.2
109.10154	4.1
111.04422	3.0
111.08103	5.9
115.05473	1.8
117.07026	6.7
119.04939	1.1
119.08588	13.2
121.06526	5.2
121.10147	10.6
123.04479	1.1
123.08037	1.6
125.06007	1.8
125.09630	2.9
129.07022	6.1
131.04851	1.0
131.08543	7.1
133.06499	3.2
133.10135	7.0
135.08023	2.5
135.11699	22.6
137.09598	2.1
137.48630	0.9
142.07758	1.3
143.08591	1.4
145.10133	17.5
147.08058	2.2
147.11705	4.8
149.09639	3.5
153.01872	1.3
153.12767	2.3
157.10094	6.0
157.77049	1.1
161.09584	1.2
163.11197	35.5
163.12563	2.0
165.12758	1.5
173.09589	2.5
175.11195	4.4
178.85471	1.1
181.12195	7.7
184.07365	1.7
191.10585	1.7
193.12250	13.6
205.12271	1.2
209.11734	1.9
211.13312	4.0
227.10550	1.8
227.12791	35.7
228.13083	1.5
229.14380	2.8
253.18124	1.1
267.15927	70.7
268.16296	1.2
283.15405	42.5
283.18561	2.1
285.16998	2.4
289.14313	1.1
293.38138	1.1
351.14755	1.4
351.22330	1.1
383.22226	2.6
401.23267	1.6
457.25812	4.5
461.29138	6.2
475.26953	100.0
476.27258	4.3
493.28125	7.0
493.34375	1.3
507.29709	1.2
517.27606	2.1
525.30542	1.8
570.62518	1.4
571.28882	1.5
637.32159	1.7
884.47571	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.8
66.39018	0.7
67.05176	1.3
67.05508	15.0
69.03442	2.2
69.06730	0.7
69.07052	4.0
70.06599	1.6
71.04995	2.7
73.02937	2.0
79.05132	0.7
79.05495	20.9
81.03423	48.7
81.07061	15.6
83.04995	5.8
83.08621	14.6
84.08146	0.9
85.02906	4.8
85.06551	1.4
91.03951	1.4
91.05489	14.2
93.06483	1.2
93.07054	19.9
95.04974	17.8
95.08620	22.0
97.02903	4.9
97.06540	2.8
97.10174	2.4
98.20773	2.5
99.04472	2.4
104.34229	0.8
105.07038	10.1
107.04961	8.1
107.08601	16.2
109.06562	3.7
109.10161	4.5
111.04437	3.6
111.08105	4.8
114.99172	0.7
115.05486	0.7
117.07024	5.5
119.04916	1.1
119.08584	13.9
121.06493	6.0
121.10149	9.7
123.04433	1.1
123.08067	1.7
125.06018	1.4
125.09632	1.1
127.03940	1.0
129.07014	6.2
131.08580	5.7
133.06534	1.7
133.10135	5.3
135.08098	2.5
135.11700	27.1
136.12071	0.8
137.09581	1.4
142.07805	1.3
145.10136	17.0
147.08055	2.4
147.11717	4.0
149.09604	2.7
153.01834	0.9
153.12720	2.5
155.08501	1.0
157.10133	7.8
161.05957	1.2
163.11194	43.5
165.12764	1.4
169.10069	0.9
171.11583	0.9
173.09581	1.6
175.11186	6.1
181.12233	7.8
184.07349	1.1
191.10692	2.2
193.12254	15.0
200.79672	0.8
205.12187	1.1
209.11768	2.7
211.13251	4.0
223.13350	1.0
227.12791	43.2
229.14404	0.9
247.13374	1.1
249.14862	1.5
267.15933	80.7
268.16214	2.8
283.15414	51.6
285.17020	2.2
292.19125	0.8
301.16687	1.0
309.17068	0.9
329.84283	0.8
383.22079	1.8
401.23471	0.9
457.25854	5.0
461.28986	1.6
475.26956	100.0
476.27267	3.0
493.28064	6.0
517.27948	3.1
525.30334	2.9
588.68597	0.9
669.31134	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	5.5
67.05510	69.7
69.03439	33.4
69.07079	20.8
70.06582	7.6
71.04999	14.5
71.51927	4.0
72.16132	2.8
73.02925	4.1
79.05498	61.5
81.03424	100.0
81.07064	80.0
83.05003	22.5
83.08622	24.4
85.02896	26.8
85.06541	6.7
86.09710	3.7
91.03970	4.5
91.05483	70.7
93.07056	50.7
95.04980	34.0
95.08613	32.5
97.02897	32.1
97.06544	17.9
97.10177	11.1
99.04451	11.4
99.08109	4.2
103.03929	3.2
103.05512	3.2
105.07035	43.6
107.04956	13.5
107.08599	37.4
109.02876	17.4
109.06511	12.8
109.10146	13.9
110.07117	3.1
111.04465	10.6
111.08065	8.0
115.05463	4.9
117.07005	18.3
118.43969	2.5
119.04945	4.7
119.08581	37.7
120.08115	3.8
121.06510	10.9
121.10143	22.3
123.04430	4.4
123.08081	10.6
123.11686	8.4
125.09648	11.9
127.03937	16.0
128.06224	5.2
129.05493	5.2
129.07024	21.7
131.08588	26.7
133.06494	7.1
133.10149	27.0
135.04417	3.3
135.08073	10.4
135.11722	14.5
137.09631	4.6
141.06987	4.9
143.08569	9.7
145.06483	7.2
145.10124	20.9
147.04425	4.1
147.08052	4.5
147.11723	23.5
149.09627	11.8
149.13283	9.5
153.01840	3.7
153.12700	4.0
155.08585	5.3
157.06543	3.2
157.10126	12.1
159.08029	3.2
159.11717	15.1
161.09694	3.8
161.13332	4.6
163.11194	8.1
165.12790	4.7
169.10147	6.4
171.08022	5.7
171.11707	7.5
173.04524	24.1
173.05916	5.7
173.09621	8.8
173.13287	6.2
175.11159	9.3
177.12743	6.2
181.12271	4.0
183.11707	7.7
184.07286	3.7
185.09705	2.8
187.14804	2.8
189.11282	4.1
193.10507	3.9
193.12230	23.8
195.13905	3.5
203.14325	3.8
211.13280	23.9
211.15099	4.2
227.12798	8.8
229.04369	3.3
229.14484	4.0
229.72688	2.7
247.20592	5.7
257.18994	8.8
267.15918	27.1
269.17532	18.0
273.14828	3.3
273.18216	3.0
275.20071	31.5
285.10193	4.2
285.16965	22.3
291.19809	3.8
299.20038	3.8
306.48724	3.7
331.22827	3.8
349.23672	18.5
411.20151	6.5
421.25873	3.6
429.21219	4.8
461.28979	28.0
479.29980	4.9
523.34222	4.5
527.30127	3.9
531.36627	4.5
541.35223	38.9
559.36432	36.6
569.31531	4.9
587.31940	6.4
604.86432	3.2
605.20581	3.6
605.33038	9.1
623.34137	12.6
667.38257	5.0
685.39154	5.6
703.40576	18.5
721.40784	9.9
767.37622	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	882.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06731	0.3
65.03915	0.8
67.05510	13.6
69.03441	2.7
69.07074	6.6
71.04997	2.1
71.08637	16.4
71.09005	0.6
73.02571	0.3
73.02921	2.3
79.05497	9.9
81.03425	24.3
81.07063	17.2
83.04986	5.5
83.08626	14.3
85.02913	15.6
85.06550	1.4
85.10191	8.3
86.09664	0.8
87.04449	0.8
89.05995	1.2
91.03970	4.3
91.05488	13.1
93.07047	7.2
95.04975	9.9
95.08614	14.4
97.02895	5.1
97.06538	1.9
97.09651	0.4
97.10165	4.1
98.20769	0.5
99.04436	0.6
99.08114	0.7
99.11726	0.6
103.07577	0.6
105.07040	9.2
107.04961	3.0
107.08591	2.7
109.02853	0.4
109.06500	1.8
109.10172	6.0
111.04391	1.2
111.07397	0.3
111.08091	4.5
111.11702	0.7
113.05991	0.6
115.05441	0.4
117.06999	0.8
119.08595	7.5
121.06448	1.0
121.10146	3.4
123.08039	1.1
123.11715	3.2
124.99973	1.0
125.09605	0.6
127.03918	1.4
129.05507	0.4
129.07016	4.5
131.07747	0.3
131.08585	4.8
133.06520	1.4
133.10132	5.0
135.11635	0.5
137.09607	0.7
137.13206	0.9
142.07779	1.3
145.05003	1.8
145.10086	1.1
147.08087	1.5
147.11703	6.6
149.08783	0.2
149.09653	2.5
149.84441	0.3
151.11061	0.3
151.14835	0.4
153.51408	0.3
157.10138	6.2
163.06052	2.4
163.11151	0.4
165.12720	1.1
175.09798	0.4
175.11201	6.5
180.08673	0.4
184.07365	4.4
193.12259	17.0
194.12497	0.3
211.13313	23.9
229.10155	0.3
239.23683	1.3
249.14816	0.4
257.24768	1.2
267.15933	13.3
268.16541	0.4
268.70776	0.3
285.16986	35.1
286.17294	0.6
313.27386	69.2
314.27609	1.6
429.20593	0.3
505.38919	16.0
506.39417	0.6
509.89178	0.3
523.39990	100.0
524.40314	4.1
551.41571	0.3
649.42639	0.3
667.44189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.9
67.02465	0.7
67.05511	19.0
69.03421	2.7
69.07078	3.8
70.06594	2.9
71.04991	1.6
71.24667	1.4
73.06541	0.8
79.05503	29.8
79.05974	1.4
81.03424	31.0
81.07061	17.2
82.07333	0.6
83.04989	5.8
83.08627	9.1
84.08118	1.2
85.02900	3.0
85.06558	1.3
86.09724	2.2
91.03923	1.0
91.05491	25.2
93.07053	23.4
95.04970	15.6
95.08608	9.5
97.02902	3.0
97.06545	2.5
97.10156	2.4
99.08124	0.8
103.54583	0.7
105.04517	1.1
105.07037	16.4
107.04954	4.6
107.08601	5.9
109.02883	0.9
109.06556	3.2
109.10178	3.3
111.04454	0.8
111.08066	3.4
115.05440	1.3
117.07043	4.0
119.08590	11.1
120.08096	1.3
120.71157	0.7
121.06511	3.0
121.10113	3.9
123.04453	0.9
123.08112	3.7
125.09653	0.7
128.06255	1.1
129.07021	10.6
130.07690	0.6
131.08582	4.3
133.06482	1.8
133.10126	6.5
135.08047	1.5
135.11630	1.0
137.09642	0.9
142.07872	0.7
143.08571	3.8
145.10175	4.0
147.08061	2.8
147.11700	15.3
149.09598	2.1
149.13293	0.8
157.10161	4.6
159.11794	1.0
161.09653	1.8
161.13261	3.4
163.11232	1.5
165.12827	0.8
171.11691	9.1
175.11212	3.5
187.11131	0.7
189.12730	3.9
193.12242	8.3
207.13809	9.2
249.14952	1.0
267.15942	30.0
268.16406	0.7
281.17493	33.2
282.17877	0.9
333.54208	0.8
421.25693	0.9
447.27185	1.1
473.29028	100.0
474.29358	5.4
491.29993	3.1
499.28140	0.8
515.30212	2.1
540.34448	1.3
558.35449	1.0
581.31073	1.0
882.46143	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.8
67.05505	18.2
69.03434	3.5
69.06738	0.6
69.07069	7.8
69.14623	4.4
71.04988	2.6
71.08633	17.2
71.79398	0.4
73.02926	3.0
79.05493	13.6
81.03421	40.8
81.07059	22.6
83.04986	9.8
83.08620	21.3
83.09119	1.1
85.02910	25.2
85.06518	1.3
85.10191	11.6
86.09695	0.6
87.04437	0.9
89.05980	1.1
91.03961	6.5
91.05481	17.7
93.07050	10.0
95.04968	15.3
95.08609	19.3
96.04487	0.5
97.02895	8.2
97.06519	2.8
97.09663	0.4
97.10174	4.8
99.04449	0.9
99.08115	1.0
103.07566	0.7
104.03690	0.4
105.07034	13.5
107.04982	4.1
107.08591	4.8
109.02843	0.5
109.06505	3.1
109.10152	7.4
111.04404	1.3
111.07380	0.6
111.08082	7.3
111.11719	0.6
113.05984	1.2
115.03922	0.8
115.05442	0.9
117.06999	0.9
119.04887	0.6
119.08585	12.0
121.06493	0.8
121.10139	4.8
123.08045	1.5
123.11697	2.7
124.99980	0.8
125.09626	0.5
127.03922	2.3
127.07558	0.4
129.07014	6.5
131.08586	7.3
133.06479	1.8
133.10133	7.2
135.11676	0.5
137.09605	1.1
137.13219	0.7
140.82500	0.4
142.07825	2.0
145.04964	2.6
145.10092	1.5
147.08076	2.3
147.11684	10.0
148.27589	0.4
149.09613	5.0
149.13266	0.6
151.11119	0.5
157.10143	10.8
163.06042	3.2
163.11136	0.6
165.12743	1.5
175.11192	9.7
176.58974	0.4
184.07336	2.6
193.12248	29.7
194.12608	0.5
211.13298	45.4
212.13644	0.8
239.23685	1.2
249.14893	0.8
257.24762	1.7
265.41867	0.4
267.13034	0.5
267.15924	16.1
285.16971	60.5
286.17328	1.4
313.27377	62.9
314.27823	2.6
466.35226	0.5
505.38870	13.0
506.39200	0.8
523.39954	100.0
524.40411	4.5
667.42834	0.7
753.89709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	7.9
61.37105	0.2
63.08835	0.3
65.03917	0.5
67.05510	8.5
69.03436	2.0
69.07075	5.1
69.32362	2.1
71.01345	0.3
71.04997	1.9
71.08638	12.1
73.02922	2.5
75.04487	0.3
77.03918	0.3
79.05499	8.7
81.03429	5.8
81.07061	12.9
82.07392	0.3
83.00899	0.3
83.01346	4.1
83.04990	4.8
83.05472	0.5
83.08624	8.9
85.02912	12.3
85.06517	0.5
85.10188	7.6
86.09705	0.5
89.05991	0.9
91.03965	5.7
91.05482	4.5
93.07057	10.9
95.04986	3.1
95.08614	12.6
96.04503	0.3
97.02296	0.4
97.02895	6.5
97.06533	2.1
97.10171	3.5
99.04461	1.6
99.08120	0.5
99.11727	0.3
103.07552	0.7
105.06388	0.4
105.07034	4.3
107.04963	3.8
107.08603	5.4
107.60680	0.2
109.02848	0.6
109.06506	3.0
109.09486	0.3
109.10165	4.4
111.04411	1.2
111.08112	0.6
111.11713	0.6
115.03944	0.3
115.05433	0.4
117.06351	0.3
117.07027	3.6
119.08596	3.9
121.06528	1.6
121.10152	3.7
123.04447	0.3
123.08086	4.4
123.11713	1.6
125.05968	1.0
125.09656	0.6
127.03935	2.7
129.06982	0.9
130.07784	0.6
131.04883	0.3
131.08569	1.6
133.10095	0.7
135.08025	0.9
135.11707	7.0
137.09610	1.0
137.13269	0.4
139.07509	0.4
143.08566	0.5
145.04973	3.7
145.06163	0.3
145.09061	0.5
145.10138	8.5
147.08028	1.3
149.05905	0.3
149.09599	0.4
153.12758	1.6
155.08557	0.9
163.06023	3.7
163.11192	13.4
165.16402	0.4
173.09628	1.8
181.12268	2.2
184.07323	1.5
191.10713	1.5
209.11702	3.8
227.12811	1.9
239.23724	1.5
257.24695	1.5
283.15417	100.0
284.15796	2.1
313.27390	72.6
314.27707	1.9
372.86542	0.3
472.46942	0.3
518.69122	0.3
521.38434	50.8
522.38727	2.2
574.28522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.6
67.05506	8.4
67.33112	0.4
69.03431	3.2
69.07079	3.7
70.06596	1.6
71.01356	0.6
71.05008	0.8
71.07368	0.4
72.08163	0.8
73.02921	2.8
74.09715	1.7
79.05491	4.8
81.03417	3.0
81.07054	7.2
83.04997	1.1
83.08632	1.2
84.08129	0.7
85.02908	4.8
85.06575	0.4
86.09705	6.2
87.04491	0.5
88.35767	0.3
91.03947	1.9
91.05477	4.8
92.05864	0.5
93.07047	4.6
95.04974	1.7
95.08607	3.0
97.02892	4.8
97.06542	0.7
97.10188	1.3
98.98501	0.5
99.04482	1.0
101.02402	1.2
101.42179	0.4
103.03942	0.5
105.07034	2.9
107.04984	0.9
107.08601	3.4
109.02909	0.6
109.06510	0.4
109.10167	4.4
110.10474	0.7
111.08160	0.5
117.07047	1.4
119.08569	2.4
121.06507	0.6
121.10171	1.5
125.00003	3.3
125.09686	1.0
127.03915	1.3
129.07056	0.7
131.08598	1.7
133.10164	1.5
135.11765	1.3
136.07616	0.6
137.60713	0.4
145.10210	0.8
147.11697	0.7
149.13264	0.5
155.10614	0.4
157.10204	0.4
159.11719	0.6
173.11789	0.6
184.07344	15.8
185.07721	1.8
203.05389	0.6
223.13431	0.4
229.14316	1.9
230.14841	0.7
243.08377	2.5
251.10327	0.7
267.66434	0.4
291.19693	1.2
292.19986	0.9
333.20547	1.0
351.21326	1.9
365.23438	0.6
366.23523	0.5
407.24347	0.5
439.19574	0.8
453.21191	0.7
499.21426	0.6
503.93808	0.4
519.33307	1.0
520.33588	3.2
551.28180	5.5
569.29309	6.9
570.29028	0.5
789.67749	0.5
879.50775	100.0
880.51068	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	880.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	4.0
65.03912	0.7
67.05510	15.0
69.03426	1.0
69.06735	0.7
69.07071	8.0
69.18336	0.4
69.25555	1.5
69.25979	2.6
71.04991	2.4
71.08636	17.1
73.02891	1.8
77.03892	0.5
79.05494	16.2
81.03407	2.2
81.07059	21.0
83.01328	1.0
83.04980	3.0
83.08623	11.5
85.02909	4.6
85.06542	0.7
85.10184	11.9
86.09705	0.7
89.06010	1.7
91.03968	2.9
91.05484	5.5
93.07050	23.1
95.04981	5.0
95.08612	37.1
96.08916	0.6
97.02877	4.2
97.06538	2.2
97.10181	4.9
99.04459	2.8
99.11703	0.5
102.18148	0.4
103.07578	1.1
105.07046	4.2
107.04960	6.5
107.07887	1.0
107.08596	19.4
109.06479	1.5
109.10155	9.0
111.04459	1.1
111.08047	1.0
111.11699	0.6
113.06020	0.5
113.13239	0.5
117.06388	0.6
117.07021	5.9
117.09119	0.5
119.07798	0.7
119.08583	7.0
121.06538	3.2
121.09354	0.6
121.10149	9.8
123.08023	0.9
123.11730	2.3
125.05969	1.9
127.03871	1.1
130.07761	1.2
133.10117	2.0
135.08031	1.6
135.11697	38.0
137.13243	0.6
139.07498	1.3
143.08572	0.7
145.05000	0.9
145.10129	24.0
151.14664	0.5
153.12775	0.9
157.63773	0.4
163.06049	0.8
163.11189	53.9
164.11584	0.7
165.16341	0.5
173.09604	1.2
176.96672	0.5
181.10757	0.8
181.12236	8.8
184.07355	2.0
209.11671	2.1
227.12791	52.6
228.13184	0.9
239.23814	1.3
253.14299	0.7
257.24704	1.9
283.15411	91.0
284.15765	1.8
313.27377	91.8
314.27686	2.3
521.38409	100.0
522.38617	4.3
658.34009	0.6
852.06079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.3
65.03951	0.9
65.45181	0.6
67.05509	18.6
69.03432	1.1
69.07069	6.1
69.27545	2.1
69.27966	3.1
71.04990	1.1
71.08639	10.2
72.08154	1.7
73.02929	1.0
73.06570	0.7
79.05499	23.9
81.03416	2.9
81.07063	19.4
83.00382	0.5
83.04984	4.6
83.08616	7.4
85.02906	3.2
85.06539	0.9
85.10186	5.6
86.09695	0.9
89.06020	0.7
91.03960	2.1
91.05486	18.6
93.07050	24.3
95.04979	7.5
95.08611	13.4
97.02896	2.0
97.06517	1.2
97.10185	3.1
99.11723	1.0
105.04522	1.1
105.07039	12.5
107.04950	1.8
107.08594	5.3
109.06516	2.6
109.10175	5.6
111.08074	1.0
117.06995	3.7
119.08585	7.7
121.06505	1.0
121.10196	0.9
123.08074	2.3
123.11732	1.2
127.07615	0.6
128.06233	1.0
129.07002	5.3
131.08594	0.6
133.10168	3.1
135.11708	0.6
143.08586	4.1
145.10139	3.2
147.08122	1.0
147.11700	16.4
147.12817	1.1
156.09412	0.7
160.11403	0.6
161.09647	1.7
161.13235	2.8
171.11714	9.4
184.07396	2.6
189.12779	3.9
202.16165	0.5
207.13812	15.6
213.35612	0.5
257.24484	0.6
281.17493	47.9
282.17792	0.8
313.27390	44.4
519.40485	100.0
520.40741	4.7
567.83447	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	2.3
61.03210	0.4
66.96656	0.5
67.05510	4.5
68.39348	0.3
69.03429	2.2
69.07073	2.8
70.06610	1.0
71.05004	0.8
71.07398	1.1
71.51088	0.5
71.51465	0.4
73.02928	2.9
79.05497	4.0
81.03410	2.3
81.07070	4.3
83.04991	1.1
83.08646	0.7
85.02910	3.0
85.06587	0.3
86.09712	9.3
87.04466	0.6
87.10058	0.8
91.03989	1.0
91.05473	3.0
93.07037	3.9
95.04974	1.4
95.08608	1.6
97.02907	3.0
97.06562	2.0
97.10181	0.6
98.98489	0.9
99.04456	0.7
100.35595	0.4
101.02408	1.0
104.10780	0.8
105.04520	0.4
105.07027	2.1
107.04990	0.4
107.08629	1.8
109.02882	0.5
109.10175	0.9
117.07042	1.0
119.08610	1.1
121.10167	0.8
123.04414	0.4
125.00002	6.6
125.09637	0.7
127.03923	1.1
131.08607	1.5
133.10153	1.1
135.11726	1.3
145.10138	0.9
147.11635	0.5
159.11827	0.4
163.11157	0.4
165.29182	0.3
184.07355	29.2
185.04265	0.6
185.07655	2.6
218.59503	0.4
243.08408	2.3
302.52524	0.4
319.18661	0.6
333.20523	1.0
349.19952	2.8
439.19720	1.5
453.21225	1.0
549.26721	0.8
551.28229	3.2
567.27777	4.7
569.29755	1.1
585.29858	0.5
611.74567	0.4
623.31403	0.4
645.40198	0.4
777.46289	0.4
780.40741	0.5
859.51599	0.5
877.49188	100.0
878.49438	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	878.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.2
65.03928	1.7
67.05508	22.1
69.03425	1.2
69.06786	0.8
69.07079	8.5
69.26839	6.5
71.04983	0.9
71.08634	13.0
72.08152	1.8
73.02912	1.4
73.06550	1.0
75.27151	0.7
79.05495	30.4
79.15281	0.7
81.03410	2.3
81.07059	21.4
83.04996	5.4
83.08632	6.7
85.02899	3.1
85.06525	1.4
85.10192	8.4
91.03947	2.3
91.05485	22.8
93.07050	31.1
95.04974	7.5
95.07998	0.9
95.08614	17.6
97.02885	1.4
97.06556	0.8
97.10175	5.0
105.07041	18.2
106.70505	0.8
107.04979	2.0
107.08587	6.5
109.06524	2.7
109.10170	5.8
117.07014	2.6
119.08583	9.2
121.06549	0.8
121.10154	1.4
121.68420	0.8
123.08064	2.2
123.11696	1.1
124.99998	0.7
127.03912	1.0
128.06284	1.0
129.07013	8.1
133.10110	4.6
135.11716	1.1
143.08557	3.3
145.05016	1.3
145.10136	5.7
147.08110	0.8
147.11697	15.9
154.09595	0.8
161.09631	2.6
161.13263	5.5
171.11681	11.7
175.49402	0.8
184.07310	1.4
189.12695	4.7
207.13824	15.8
239.23689	1.2
245.56073	0.8
257.24731	1.3
281.17493	49.9
282.17810	0.8
285.82617	0.8
313.27377	43.4
314.27646	1.1
325.34030	0.7
415.67953	0.7
419.62265	0.7
519.40479	100.0
520.40759	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	877.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	6.9
62.77742	0.7
64.93816	0.7
65.03944	1.0
67.05508	9.4
69.03420	4.6
69.07081	4.0
69.24052	6.3
71.01361	0.8
71.05023	0.8
71.07381	0.8
73.02912	5.0
79.05501	7.5
81.03408	3.4
81.07063	8.6
83.04990	1.2
83.08620	1.6
85.02905	8.8
86.09707	9.8
87.10033	1.6
91.03965	3.4
91.05489	6.4
93.07056	7.4
95.04983	2.2
95.08620	3.1
97.02908	6.1
97.06556	1.6
97.10184	1.4
98.98488	1.5
99.04487	2.2
101.02403	2.7
104.10741	0.8
105.07014	3.2
107.05008	1.2
107.08611	3.9
109.02895	1.4
109.06522	1.6
109.10168	2.5
112.08308	0.7
117.07030	1.4
119.08633	2.3
121.06478	0.8
121.10139	1.7
125.00014	5.2
127.03947	2.2
129.06998	0.7
131.08604	0.8
133.10165	2.2
135.11679	4.1
145.10168	2.4
147.11716	0.9
149.02426	0.9
159.11717	1.0
184.07350	28.4
185.04256	2.6
185.07794	2.7
203.05309	1.9
221.11705	1.5
243.08438	5.1
263.12680	1.5
277.14304	1.2
284.29422	0.9
300.13348	0.8
301.08914	5.1
306.27280	0.7
315.10641	2.4
315.19232	1.0
319.15140	0.7
333.20355	7.5
357.15259	1.1
369.15268	0.9
373.11169	2.0
373.23529	1.1
385.18622	2.9
389.23318	1.9
409.18573	0.7
413.18143	1.0
429.17642	1.7
431.24225	1.1
439.13495	1.3
439.19421	20.9
439.25125	1.1
453.21353	3.3
469.20648	1.7
481.20462	4.6
499.21823	1.0
500.22318	0.9
541.22516	4.3
549.26752	1.2
551.28296	20.4
551.36316	1.2
567.28070	2.0
597.29224	1.0
623.30298	3.9
625.31934	3.4
637.31989	1.2
651.33533	1.7
679.34509	2.7
693.36749	1.2
719.39850	1.4
723.39807	2.4
737.40643	1.1
749.40881	69.6
750.41565	4.6
791.41858	29.9
792.42310	2.7
843.48096	1.2
859.48175	9.6
877.49207	100.0
878.49628	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	874.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	2.1
61.42197	1.9
65.03928	4.9
67.05506	100.0
69.03445	9.3
69.07071	36.6
70.18152	5.3
71.04982	5.6
72.92122	2.4
79.05494	59.3
81.03432	14.8
81.07058	89.6
83.04984	13.6
83.08615	23.8
85.02892	5.3
85.06540	7.0
86.09708	11.1
91.05483	55.0
93.07050	66.8
93.07636	3.4
95.04994	14.8
95.08606	37.9
96.34311	1.7
97.02899	4.1
97.06535	22.3
97.10185	13.2
99.08116	2.4
102.46133	1.7
105.07039	43.1
107.04946	11.0
107.08598	52.8
109.06521	7.8
109.10162	48.3
109.10921	2.9
110.10541	1.6
111.08086	7.4
115.05451	2.0
117.07014	21.1
119.08582	30.2
121.06515	5.4
121.10150	21.0
123.08055	6.4
123.11702	5.2
123.39079	1.9
125.00035	4.9
125.09692	10.7
127.03915	1.9
128.06216	2.0
129.07016	6.5
131.08563	28.6
133.10147	29.2
135.08057	9.9
135.11665	16.2
137.09595	4.1
141.06976	3.8
143.08556	6.7
145.10121	20.3
147.08038	4.1
147.11700	17.0
149.09605	14.8
149.13251	14.7
151.11237	4.0
155.08540	5.0
155.10619	4.4
157.10155	6.4
159.07968	1.8
159.11708	15.7
159.57382	1.8
161.09564	2.6
161.13144	4.4
163.11166	10.4
165.12772	3.1
168.01263	2.0
169.10158	4.4
171.11708	3.5
173.11742	7.8
173.13277	8.5
177.12764	5.0
179.14314	3.0
183.11674	4.9
184.07350	23.8
189.11208	6.0
189.12697	2.1
195.11816	2.4
195.13809	6.4
197.13338	2.4
199.14851	2.0
227.12791	13.9
229.14371	29.7
229.19534	2.6
239.17929	4.8
240.83879	2.2
251.16336	2.3
255.15913	7.9
257.18964	14.9
269.17496	33.1
273.18506	2.1
275.20078	55.6
293.21063	7.8
331.22650	5.4
349.23743	48.5
367.24863	11.0
399.24100	2.4
399.54880	2.3
409.25964	10.7
423.27432	35.7
439.26541	3.0
449.29218	11.5
451.31836	2.3
463.30612	25.0
485.32413	2.1
503.33713	19.5
504.34265	2.8
507.34482	1.9
521.34491	4.9
525.35663	6.8
529.35242	9.3
543.36877	42.1
547.36023	4.1
561.37878	15.7
572.61176	1.9
607.34454	3.3
623.43274	10.7
641.43872	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	872.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	4.8
62.31258	1.4
65.03934	6.0
67.05507	100.0
69.03098	1.7
69.03431	10.0
69.07068	54.4
70.90695	4.4
71.01350	5.8
71.05000	8.2
72.60238	1.4
73.02911	3.6
79.05496	74.1
81.03427	20.6
81.07059	97.7
83.04989	18.7
83.08624	17.4
85.02915	8.2
85.06535	6.1
88.70441	1.4
91.05484	73.8
93.07045	71.1
93.07645	3.1
95.04957	16.4
95.08612	52.5
97.02912	7.4
97.06534	21.6
97.10172	12.0
99.04449	3.5
99.08116	3.1
103.05495	2.9
105.04507	3.8
105.07034	52.1
107.04968	14.1
107.08598	39.0
109.02864	2.7
109.06520	7.7
109.10156	22.9
111.04408	1.7
111.08060	8.2
113.09620	2.8
115.05462	4.1
117.07023	18.1
119.08585	38.3
121.06515	9.0
121.10139	19.7
123.08054	9.7
123.11707	6.7
125.09653	7.7
127.03922	4.8
129.05440	2.5
129.07021	10.6
131.04901	1.8
131.08585	25.7
133.06525	2.9
133.10129	35.4
135.08081	7.4
135.11690	24.3
135.12689	2.1
137.09634	9.4
139.11142	2.5
141.07019	3.8
142.07826	2.3
143.08566	6.1
143.48151	1.4
144.09404	2.1
145.06479	2.4
145.10127	19.5
147.08078	4.3
147.11714	14.3
149.09624	20.0
149.13297	10.0
151.11234	6.8
155.08548	3.5
157.10129	8.4
159.11696	18.6
161.09615	4.0
161.13234	6.9
163.11180	10.2
165.12770	1.4
169.10121	3.7
171.10373	1.6
171.11673	7.4
173.04582	1.4
173.11830	2.6
173.13251	6.4
175.11282	3.4
175.14771	1.5
176.85918	1.5
177.12796	6.8
179.14334	6.1
181.12195	2.4
183.11685	5.6
184.07382	2.3
185.13284	1.8
187.11136	2.0
189.11234	3.3
189.12863	2.1
193.12184	3.3
195.13812	5.9
197.13289	3.4
199.13182	1.9
199.14914	1.9
201.12766	2.3
227.12851	3.1
229.14334	6.0
229.19601	2.8
239.17906	3.9
243.15932	3.8
247.20665	2.9
255.15901	14.8
257.18884	7.5
267.15915	5.9
269.17432	18.4
271.24622	1.6
273.18600	3.6
275.20056	31.1
276.20493	2.3
285.16959	5.8
291.19604	5.0
293.21054	2.3
331.22638	2.0
349.23755	26.3
365.23172	3.4
367.24823	2.8
409.25729	2.5
423.27310	4.2
435.27335	1.9
437.29370	1.9
449.29074	4.2
462.29849	1.6
463.30295	2.2
529.35059	3.1
543.36877	12.4
623.43787	2.1
838.66663	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	872.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.9
61.73149	1.3
65.03940	6.5
67.05507	100.0
69.03434	11.7
69.07072	61.2
70.06580	3.3
70.40865	3.8
71.01355	1.9
71.05003	6.6
71.05318	1.2
72.15229	1.0
73.02896	1.7
73.29385	1.1
77.03925	1.4
79.05495	76.1
80.05823	1.9
81.03423	16.0
81.07060	70.5
82.07376	1.6
83.04986	13.6
83.08164	2.0
83.08626	24.4
84.08138	2.5
85.02914	7.3
85.06525	3.5
86.09690	5.0
91.05488	64.3
92.05801	1.8
93.07047	62.8
95.04973	15.5
95.08614	46.0
97.02882	7.2
97.06532	22.2
97.10175	41.1
99.04440	1.5
99.08096	2.0
103.05504	2.1
104.06210	1.5
105.04488	3.1
105.07035	48.6
106.07302	1.3
107.04960	16.7
107.08600	52.2
109.02882	3.2
109.06532	7.7
109.10162	35.7
111.04398	2.3
111.08074	8.9
113.05975	1.8
115.05442	3.8
117.07023	16.8
119.04955	2.0
119.08590	35.8
121.06523	7.8
121.10155	14.1
123.08089	7.4
123.11725	6.0
124.99958	1.6
125.09632	34.5
127.03883	5.3
128.06183	1.7
129.05521	2.8
129.07028	9.3
130.08647	1.9
131.08568	19.9
133.06479	3.9
133.10138	27.0
135.08064	8.9
135.11694	12.0
137.09624	13.7
139.11192	1.8
141.06992	2.9
142.07753	2.0
143.08578	7.7
143.10617	1.8
145.06468	2.7
145.10120	19.7
147.08020	2.5
147.11705	16.6
149.08435	1.5
149.09624	26.4
149.13249	3.9
151.11172	3.7
153.09096	4.9
153.12767	1.6
155.08525	4.6
155.10609	1.4
157.08836	1.6
157.10118	8.2
159.08070	1.9
159.11717	16.2
161.09595	5.9
161.13257	7.1
163.11174	13.6
165.09074	2.5
167.10619	1.6
169.10118	4.5
171.10150	4.5
171.11673	6.0
173.11731	5.8
173.13275	4.8
174.12131	1.3
175.11229	4.0
175.14850	1.6
177.12720	2.6
179.14384	6.0
183.11697	4.9
184.07324	12.0
185.13258	4.0
185.60623	1.3
187.11148	1.7
189.11237	24.6
189.12761	2.4
191.14240	1.5
193.12227	3.1
195.11853	1.4
195.13722	2.7
197.13268	3.5
207.13754	1.4
211.13113	1.7
211.14885	2.0
213.16408	1.2
223.13258	2.4
227.12801	43.7
227.17850	1.7
228.43546	1.3
229.14319	9.6
229.19354	2.5
239.17975	3.1
241.14281	1.3
245.13777	3.0
245.19016	2.3
247.20461	3.4
253.14272	2.5
253.18011	2.7
255.15694	1.5
257.19034	9.4
260.91812	1.2
267.15930	3.5
269.17456	4.8
273.18478	7.6
275.20062	51.2
276.20273	2.5
285.16910	1.7
291.19470	9.4
293.21097	2.6
303.26431	1.2
313.21353	1.7
331.22632	3.1
333.24194	1.6
349.23715	41.7
350.24121	1.7
365.23120	4.9
383.23749	2.8
389.17957	1.6
399.23642	4.7
409.25421	1.5
423.27246	1.9
435.19641	1.2
445.29578	2.3
485.32071	1.5
503.33749	11.1
511.33554	1.6
519.32867	6.3
527.37360	3.3
529.34839	2.2
543.36603	2.7
559.36053	2.9
576.35742	1.5
577.35889	1.6
598.75690	1.2
599.62231	1.4
623.42999	18.0
624.42731	1.5
639.41785	1.9
641.44421	2.6
657.43286	2.2
663.37787	1.9
873.45447	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	872.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	3.5
61.33372	1.4
65.03945	7.4
67.05508	100.0
69.03438	11.0
69.07072	64.4
70.99783	2.7
71.00142	2.1
71.05009	7.7
73.02917	2.6
79.05499	74.6
81.03430	15.1
81.07060	87.8
83.04987	13.3
83.08628	16.3
85.02911	7.8
85.06530	5.6
91.03981	1.6
91.05484	70.6
93.07047	63.5
93.07642	2.7
95.04975	17.4
95.08616	53.7
97.02906	8.0
97.06535	24.9
97.10168	10.3
99.08093	3.3
99.18806	1.3
103.05445	2.8
105.04510	3.5
105.07031	54.2
107.04948	15.9
107.08607	40.8
107.70965	1.4
109.02858	2.5
109.06520	8.7
109.10158	33.6
111.08097	9.4
115.05489	3.6
116.06213	1.3
117.07021	21.6
119.08584	36.7
121.06503	7.7
121.10146	17.8
123.08070	6.2
123.11697	2.2
125.09612	10.7
126.99403	1.5
127.03944	3.7
128.06239	3.6
129.05508	3.2
129.07039	9.7
131.04947	1.8
131.08575	25.2
132.08934	1.6
133.06523	3.9
133.10136	31.6
135.08051	8.2
135.11725	18.0
137.09608	16.3
139.11171	2.4
141.06963	3.0
143.08537	10.8
145.10127	21.0
147.08026	2.7
147.11694	18.0
149.09634	27.6
149.13293	9.1
151.11156	6.1
155.08578	3.7
155.10635	3.7
157.10127	9.2
159.07922	1.7
159.11702	18.7
161.09628	4.2
161.13312	9.1
163.11174	12.1
165.09113	2.9
165.12788	2.2
167.10693	2.0
169.10130	5.7
171.10213	2.8
171.11684	7.0
173.11749	5.4
173.13280	6.4
175.11180	2.5
177.12694	4.2
179.10753	2.2
179.14388	7.3
179.93449	1.4
183.11711	2.9
185.09718	1.9
185.13268	4.3
187.11130	2.0
187.14868	1.7
189.11275	4.9
189.12758	1.9
193.12167	2.1
195.11769	2.4
195.13829	5.5
197.13260	4.2
199.13170	2.3
199.14867	3.1
201.12668	3.2
223.13278	1.9
227.12761	9.4
227.17821	2.3
229.14273	10.3
229.19525	4.0
239.17993	4.2
247.20589	3.4
253.18187	2.4
255.15924	5.3
257.19083	9.3
267.15829	3.1
269.17459	12.6
273.18478	3.9
275.20078	45.0
291.19516	7.2
293.21078	4.9
297.37250	1.7
313.21594	2.0
321.24289	3.1
331.22589	3.7
349.20142	1.3
349.23764	35.9
365.23376	4.1
367.24857	2.6
383.24295	1.6
409.25879	3.8
417.73135	1.4
423.27353	8.4
445.29218	2.3
447.31375	1.9
503.33392	2.6
527.37329	2.4
529.35254	5.4
543.36981	18.0
595.68762	1.7
623.42645	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	872.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	4.3
62.61752	1.0
65.03941	8.2
67.05508	100.0
68.05847	1.8
69.03438	11.0
69.07070	65.0
69.98772	4.0
70.07401	1.6
71.04993	9.7
71.08619	1.4
73.02919	2.8
77.03941	2.3
79.05497	76.6
80.05821	2.3
81.03422	14.4
81.07062	87.1
82.07388	2.6
83.04987	14.3
83.08617	19.7
83.75879	1.2
85.02905	7.5
85.06541	3.7
86.09719	1.5
90.69238	1.1
91.05486	86.9
92.05825	2.8
93.07048	78.9
94.07391	2.3
95.04980	18.0
95.08614	54.5
97.02894	8.2
97.06533	21.5
97.10169	12.2
98.10432	1.5
98.21410	1.9
99.04443	2.4
99.08091	2.8
103.05466	2.3
105.04558	2.3
105.07038	66.4
107.04960	11.4
107.08601	45.8
108.08916	2.0
109.02853	1.4
109.06518	7.7
109.10161	30.6
110.10493	1.8
111.04418	1.8
111.08080	6.3
113.09666	2.4
115.05454	4.8
116.06242	1.7
117.07018	28.3
119.04990	1.3
119.08588	46.2
121.06541	3.5
121.10148	25.8
123.08057	6.2
123.11727	4.1
125.00044	1.5
125.05965	1.2
125.09661	8.6
127.03947	3.6
128.06223	4.2
129.05479	4.4
129.07016	17.7
130.07768	3.0
131.08580	28.6
133.06520	2.8
133.10141	43.8
134.10475	1.4
135.08083	6.9
135.11708	14.7
137.09612	10.1
139.11185	2.6
141.07011	5.1
142.07787	2.6
143.08569	15.9
144.09311	1.2
145.06502	3.2
145.10124	21.5
147.08064	4.9
147.11696	24.7
149.09630	17.2
149.13281	8.4
150.10008	1.2
151.11186	6.1
154.07712	1.5
155.08586	6.3
155.10709	2.6
157.08777	1.9
157.10135	15.5
159.08054	3.0
159.11703	19.0
161.09636	4.5
161.13261	12.6
163.11189	8.7
163.14828	1.5
165.09120	2.0
165.12659	1.6
167.08598	2.9
168.09346	1.7
169.10181	7.2
171.08052	1.4
171.10266	2.6
171.11684	14.7
173.11761	4.3
173.13281	10.1
175.11182	2.8
175.14880	3.7
177.12750	5.7
179.14357	5.2
181.10156	2.0
183.11755	6.9
184.07399	3.7
185.13312	7.2
187.11171	3.8
187.14888	3.4
189.11287	2.7
189.12773	4.3
191.08907	1.2
193.12209	1.4
195.11838	2.2
195.13820	3.0
197.13257	5.7
199.13272	1.5
199.14915	2.8
201.12862	1.8
207.13934	1.7
209.13309	3.6
210.13965	1.5
211.14857	4.2
213.16508	2.5
223.14990	2.7
227.12770	5.8
227.18004	1.8
229.14256	6.5
239.17923	2.3
241.19563	3.6
247.20554	1.7
253.14253	5.8
254.14737	2.1
255.15482	1.5
257.19022	7.3
259.20575	11.5
263.19849	1.4
269.17368	5.9
273.18509	3.0
275.20093	20.4
276.20370	1.6
281.17593	1.6
289.21585	1.4
291.19641	8.7
293.21057	1.8
313.21463	1.5
315.23312	2.5
331.22708	2.1
333.24213	9.7
335.25870	4.8
349.23685	15.2
351.25232	1.8
355.26227	2.0
365.23236	3.0
421.30954	2.8
423.26779	1.2
487.34036	2.8
495.34479	2.2
501.35568	1.4
513.35858	20.2
515.37653	1.9
527.37311	3.4
533.40057	1.7
543.36633	4.1
544.37274	1.4
607.43488	6.2
609.27588	1.3
625.44623	5.9
782.87488	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	5.4
67.05507	100.0
69.03406	4.5
69.07067	18.6
71.01343	2.2
71.04994	7.0
71.50975	2.4
73.02924	3.2
79.05496	62.4
81.03413	15.9
81.07058	65.4
83.04989	10.5
83.08622	14.2
85.02894	10.0
85.06551	5.7
86.09696	2.1
87.04460	3.6
91.05488	75.3
93.07049	56.3
95.04958	10.7
95.08060	3.1
95.08612	38.1
97.01464	1.7
97.02872	4.4
97.06544	7.0
97.10169	14.1
99.08071	3.0
103.05453	3.7
105.07036	59.4
107.04973	6.4
107.08597	33.1
109.06525	6.8
109.10162	61.3
111.08097	6.1
115.05447	4.1
117.07024	19.1
119.08588	52.6
121.06631	1.8
121.10129	20.6
123.08045	4.9
123.11678	3.5
125.09624	14.7
128.06232	2.7
129.05493	4.3
129.07025	11.7
130.08641	2.3
131.08572	29.4
131.56239	1.7
133.06488	2.3
133.10135	35.6
135.08046	5.0
135.11711	17.1
137.09631	3.7
141.06952	2.5
143.08600	11.4
143.10693	2.1
145.10118	23.4
147.08041	4.3
147.11691	31.3
149.09642	2.2
149.13248	8.5
151.11179	5.5
153.12732	4.7
153.87225	1.7
155.08582	3.2
155.10585	3.1
157.08989	2.0
157.10121	13.0
159.11684	18.3
161.09608	2.6
161.13260	19.1
163.11211	6.7
169.10155	1.9
171.11694	13.1
173.11752	15.9
173.13277	9.8
175.11160	3.0
175.14842	5.0
177.12709	2.9
181.10094	2.2
183.11671	3.4
184.07339	4.6
185.13242	7.4
186.29250	1.9
187.14911	2.7
189.11188	2.5
189.16530	2.2
193.12151	1.8
199.13269	6.5
199.14861	4.1
209.11668	3.6
213.16486	2.9
217.14316	2.3
219.11540	2.2
227.12778	7.7
229.14333	33.2
230.14941	1.8
231.21054	4.7
241.19543	15.9
243.17789	2.1
243.21249	1.9
253.14326	3.0
257.19092	3.9
259.20593	48.3
261.22134	2.7
267.15909	3.7
269.17648	1.7
275.20041	7.6
277.21722	2.9
289.21402	1.8
291.19565	2.3
297.22189	3.0
301.16498	6.1
313.21332	2.0
315.23212	7.5
333.24265	44.4
335.25812	5.8
349.23938	2.4
349.57608	1.8
399.23898	10.0
413.30585	1.9
487.34204	4.2
504.34286	5.2
505.34915	2.7
541.35358	2.4
559.36206	2.8
577.37213	3.6
585.41370	3.5
636.29510	1.8
657.43848	5.8
675.44019	6.4
820.51843	2.1
873.46051	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	870.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.9
65.03936	6.9
65.80483	1.2
67.05511	100.0
69.03421	10.4
69.07075	60.4
69.07399	0.7
69.07471	1.9
70.17165	2.9
70.17553	2.5
71.01359	1.2
71.05004	8.7
73.06573	1.1
77.03899	2.2
79.05497	65.2
81.03430	15.2
81.07063	83.4
82.06581	2.1
83.04983	17.3
83.08627	12.1
85.02880	4.3
85.06549	7.0
86.09711	2.5
91.05486	95.9
93.07053	63.6
95.01344	1.8
95.04971	19.3
95.08615	49.3
97.02902	5.0
97.06544	18.6
97.10190	5.6
99.04478	3.0
99.08100	1.9
103.05479	4.0
104.10752	1.5
105.04501	3.9
105.07039	70.9
107.04961	19.4
107.08607	46.4
107.09169	0.8
109.02904	1.8
109.06547	11.4
109.10168	65.0
111.04473	3.2
111.08099	7.2
113.06021	3.1
113.09648	2.2
115.05463	4.0
117.07014	18.5
119.08590	32.7
121.06531	12.0
121.10152	16.6
123.08105	7.5
123.11719	9.6
125.09622	8.4
127.03896	2.4
127.07598	3.8
128.06230	2.1
129.05481	2.5
129.06982	7.7
131.08586	24.0
133.06526	6.5
133.10139	81.7
135.08049	12.8
135.11714	12.0
137.09628	19.3
137.50006	1.2
139.11177	2.1
141.07036	3.8
143.08574	10.8
144.09302	1.4
145.06557	1.9
145.10130	16.0
146.08127	5.5
147.08031	6.8
147.11684	12.6
149.09628	22.3
149.13274	3.8
151.11198	38.2
155.08569	3.8
155.10699	2.4
157.08792	1.3
157.10146	7.6
159.08055	3.4
159.11705	11.2
161.09624	9.1
161.13229	8.2
163.07590	2.0
163.11206	13.5
165.09102	1.4
165.12614	1.5
169.10153	5.2
169.12320	7.4
171.10341	2.1
171.11655	6.5
173.09648	1.7
173.11757	5.3
173.13315	5.8
175.11263	6.0
175.14769	1.5
177.09135	1.5
177.12779	3.7
179.10695	4.1
179.14343	4.6
181.10141	1.6
183.11789	3.2
184.07362	2.8
185.13281	3.4
187.11237	2.1
189.11197	2.2
189.12694	3.0
191.10597	1.4
193.12244	2.3
195.13791	2.2
197.13283	2.6
199.14851	1.7
203.14355	1.7
213.12888	1.3
213.16245	2.2
215.12811	3.6
221.15460	1.6
223.13252	2.9
227.12804	4.5
227.17886	2.3
229.14339	4.0
229.19550	3.2
239.18123	2.1
245.18959	3.6
247.20572	1.5
251.12703	1.4
253.14378	79.5
254.14795	2.0
255.17445	3.4
257.16602	1.2
257.19012	8.1
263.19968	3.6
271.15274	1.6
273.18533	23.5
275.20087	28.4
291.19550	20.1
293.21149	3.4
331.22821	1.5
347.22168	6.1
349.23718	30.2
353.99097	1.2
357.24408	1.7
365.23233	19.0
366.23621	1.7
383.24197	2.0
407.24353	1.8
431.27811	5.5
461.29147	2.7
468.82974	1.4
501.32468	1.4
519.33124	5.3
527.33704	4.1
543.36633	3.4
545.34949	11.5
621.41809	2.7
639.42407	16.6
673.43140	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.1
65.03938	1.2
67.05507	23.6
68.05826	0.4
69.03424	1.4
69.07075	7.0
70.06606	0.5
71.01345	0.5
71.05009	2.0
73.02921	1.1
79.05495	14.6
81.03421	37.3
81.07059	31.2
83.04993	4.0
83.08620	13.0
85.02921	2.8
85.06557	2.0
91.03952	1.5
91.04901	0.6
91.05482	12.9
93.07046	22.9
94.07434	0.5
95.04977	14.5
95.08614	7.5
97.02885	3.2
97.06535	4.9
97.10169	1.9
98.20733	0.9
99.04491	0.5
99.08105	1.3
105.04527	0.5
105.07033	8.4
107.04964	3.2
107.08601	12.3
109.02903	0.4
109.06512	2.4
109.10162	2.3
111.04440	0.8
111.08083	6.8
111.11697	0.4
113.05997	0.7
115.05454	0.6
117.07034	3.5
119.08579	6.7
119.09360	0.6
119.35162	0.4
121.06499	2.3
121.09325	0.7
121.10149	9.5
123.08086	1.0
123.11702	1.7
125.09691	0.8
127.03972	0.5
127.07574	0.4
129.07010	4.0
131.08583	7.1
133.06485	1.7
133.10132	6.8
135.08076	1.1
135.11681	4.2
137.09587	0.8
139.11205	0.4
142.07832	1.5
143.08551	0.5
145.05122	0.4
145.06485	0.8
145.10144	1.2
147.08038	1.5
147.11707	5.4
149.09637	2.9
149.13266	12.6
151.11191	1.1
157.10136	5.6
159.11694	5.0
163.06027	0.6
163.11195	1.2
165.12769	0.8
167.14333	0.5
171.11778	0.5
173.09633	0.5
173.11684	0.5
175.11185	5.2
177.12805	2.2
193.12259	12.3
195.13811	3.5
205.04776	0.4
207.13887	0.4
211.13350	1.6
235.13345	0.5
249.14951	1.3
267.15924	43.0
268.16364	1.1
269.17493	37.0
270.17844	0.6
301.14136	0.5
369.24231	0.7
387.25253	0.6
417.26349	0.6
435.27356	5.0
443.27817	1.7
453.28516	1.5
461.29007	100.0
462.29343	3.7
479.30115	4.1
503.29913	3.1
511.32681	2.9
527.29712	0.7
557.31403	0.6
569.30872	1.3
587.32068	1.6
605.33429	0.9
661.73492	0.4
714.18536	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	2.6
65.03932	3.4
67.05508	60.6
69.03433	12.4
69.07072	48.7
71.05022	3.9
71.06440	1.3
73.02909	1.4
75.38526	1.0
79.05494	42.2
80.05845	0.8
81.03416	10.3
81.07057	45.3
83.04988	7.3
83.08621	14.2
85.02896	3.4
85.06538	2.3
91.05482	41.1
93.07048	37.0
95.01331	1.4
95.04977	12.2
95.08611	28.4
97.02898	11.9
97.06537	14.7
97.10172	15.5
99.04433	1.2
99.08051	0.9
103.05465	1.4
105.03381	0.8
105.04564	2.1
105.07034	32.1
107.04961	13.2
107.08601	20.3
107.10265	0.7
109.02845	0.9
109.06548	5.2
109.10159	22.7
111.04457	1.1
111.08079	4.8
114.25890	0.8
115.05455	2.2
116.06259	1.3
117.07018	12.7
119.04970	2.5
119.08588	23.5
120.05741	1.6
121.06510	6.7
121.10147	11.0
123.04434	1.3
123.08064	5.0
123.11728	2.2
125.09641	12.0
127.03922	1.0
128.06223	1.9
129.05493	2.1
129.06998	8.3
130.07782	1.5
130.08658	1.0
131.08568	15.2
133.06528	4.1
133.10129	16.3
134.07300	1.4
135.08066	5.3
135.11691	7.2
137.09624	11.1
139.07584	0.9
141.07001	1.8
143.08582	4.9
145.06482	2.0
145.10121	13.9
147.08072	6.9
147.11713	7.4
149.09613	13.7
149.13239	3.1
151.11137	2.1
153.09122	2.2
153.12698	0.9
155.08556	2.2
155.10655	1.7
157.10123	5.8
159.08105	0.9
159.11678	8.1
161.09618	3.9
161.13243	4.3
163.11180	7.0
165.09198	1.8
167.08591	1.5
169.10112	2.3
169.12207	1.3
171.10301	1.8
171.11678	3.3
173.09587	1.3
173.11766	2.6
173.13257	3.3
175.11177	3.4
175.14877	1.1
177.12752	3.3
179.14313	3.4
183.11745	2.7
184.07257	1.2
185.13260	1.6
187.11179	2.2
187.14902	1.4
189.11266	4.4
189.12721	1.3
191.14378	1.0
193.12219	1.3
195.11827	0.9
195.13860	2.7
199.14841	1.2
205.12245	3.0
211.13263	1.8
213.16452	1.0
223.13290	19.3
227.12775	6.7
229.14290	5.2
229.19505	1.3
233.15268	1.0
239.18066	1.7
239.36700	0.8
245.19078	1.4
247.20483	1.3
249.14922	3.9
253.14365	1.1
253.18036	0.9
255.17500	1.3
257.19077	4.4
263.20255	1.0
269.17593	1.0
273.18506	15.9
275.20087	20.3
283.15439	0.9
291.19550	100.0
292.19794	2.0
293.21237	1.3
297.16882	0.8
321.24307	1.1
347.22174	1.3
349.23727	23.7
365.23245	26.6
366.23318	1.0
370.15582	0.9
461.29224	4.2
489.06882	0.9
519.33282	8.6
541.34979	1.0
543.36896	4.9
559.36627	1.1
568.10236	1.0
587.36334	1.0
621.40918	1.0
639.42505	25.4
640.42303	1.1
655.41467	1.0
657.43280	1.3
838.38013	0.9
862.15039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	4.9
67.05506	5.9
69.03430	3.9
69.07066	2.3
71.01371	0.6
71.04998	1.9
71.52020	0.5
73.02924	4.4
79.05493	3.2
81.03436	1.7
81.07060	5.7
83.08636	1.0
85.02906	5.0
86.09713	1.0
87.04473	0.6
91.03962	3.0
91.05477	2.9
93.07052	4.8
95.04992	0.6
95.08614	3.1
97.02893	4.5
97.06544	0.8
97.10175	0.8
99.04476	1.1
101.02396	1.7
105.07031	2.0
107.08594	2.5
109.02911	0.9
109.06507	0.5
109.10181	2.1
111.08083	0.5
115.03953	0.6
117.07038	0.9
119.08610	1.2
121.10170	1.3
125.00047	0.5
127.03936	1.4
131.08621	0.9
133.10173	0.8
135.08087	0.5
135.11697	0.9
145.10190	0.7
147.11810	0.6
159.11716	0.7
181.36879	0.4
184.07327	2.6
243.08565	2.2
249.14409	0.5
335.26038	0.6
365.23010	3.0
421.25806	0.6
428.77539	0.5
439.44617	0.5
485.24060	0.7
519.29474	5.0
583.31049	4.3
691.40454	1.2
722.47827	0.5
861.53333	100.0
862.53632	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	866.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	5.7
65.03929	0.8
67.05508	27.7
69.03433	1.5
69.07069	12.7
71.04990	1.0
71.08636	14.3
71.51948	1.2
73.02908	2.2
79.05499	13.4
81.03407	1.5
81.07061	35.5
83.04980	3.0
83.08623	11.1
85.02898	6.0
85.06539	2.3
85.10185	7.5
86.09707	1.5
91.03939	4.5
91.05481	6.9
93.06481	1.6
93.07047	22.2
93.07641	1.2
95.04984	2.5
95.08616	19.2
97.02911	4.4
97.06532	6.1
97.10176	3.2
99.08100	1.5
105.07047	2.8
107.08601	11.8
109.10165	6.1
111.08092	2.8
111.11713	0.8
117.07035	2.7
119.08620	1.0
121.06504	0.9
121.10149	8.7
123.11719	2.9
127.03929	2.2
131.08568	3.8
133.10135	4.3
135.08011	1.0
135.11694	3.6
137.13312	0.8
145.04958	1.6
149.13271	13.7
150.13628	1.0
159.11664	5.5
163.06044	1.8
177.12781	2.9
184.07361	4.3
195.13817	5.7
239.23853	1.2
257.24936	1.1
269.17490	78.7
270.17841	1.3
313.27377	50.6
314.27713	1.7
330.24146	0.7
343.55548	0.7
507.40479	100.0
508.40866	2.7
561.64575	0.9
673.82867	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	13.9
63.75074	0.9
65.03937	4.9
67.05508	57.8
69.03438	13.4
69.07069	11.9
69.47995	8.6
71.01348	1.8
71.05005	7.3
73.02919	10.6
75.74417	1.1
77.03926	1.6
78.62180	1.0
79.05498	58.3
80.06252	1.0
81.03423	93.8
81.07063	46.6
82.03767	1.2
82.04208	5.2
83.04981	31.2
83.08623	37.6
84.02114	1.4
84.05782	1.3
85.02909	45.8
85.06542	3.3
86.09727	1.4
87.04471	1.4
91.03954	9.3
91.05482	55.3
93.07047	36.7
94.04202	1.7
95.04973	50.1
95.08608	18.8
96.05801	1.7
97.02888	18.7
97.06541	14.3
97.10175	17.6
98.07317	6.3
99.04469	2.4
99.08105	2.8
101.06024	2.9
103.05459	1.4
105.07034	33.6
107.04962	16.8
107.08592	20.0
109.02911	2.2
109.06548	7.7
109.10157	15.0
111.04446	7.7
111.07357	2.0
111.08081	18.5
113.06018	4.1
115.03938	1.2
115.05442	2.5
116.04716	13.0
117.05460	1.3
117.07039	6.9
119.04942	1.2
119.08590	30.3
121.06486	5.3
121.10149	15.7
123.08067	7.9
123.11694	1.7
125.05990	1.6
125.09628	21.2
127.03934	4.6
127.11201	2.3
129.05489	30.9
129.06984	16.5
131.08569	18.9
133.06505	4.3
133.10133	19.2
135.08087	4.3
135.11687	7.3
136.08841	1.2
137.09633	4.8
141.09099	1.3
142.07803	2.8
143.07048	7.5
143.10654	1.3
145.04976	4.4
145.10150	7.3
147.08060	7.1
147.11678	24.7
149.09610	10.5
153.09114	2.7
153.12750	4.7
155.10689	2.4
157.08630	16.2
157.10139	19.7
158.05803	2.0
159.11809	1.1
163.06073	4.3
163.11180	13.3
164.11972	1.3
165.12759	5.6
170.12300	1.2
170.97902	1.1
171.06537	2.8
171.10141	5.7
173.09624	3.0
173.11784	4.5
175.11208	22.3
181.12294	3.9
184.07373	1.2
185.11725	2.0
189.11226	8.4
189.12726	1.3
191.10696	3.7
193.12254	75.3
194.12604	1.5
196.66043	1.2
199.09615	2.6
199.13306	19.6
200.14104	2.0
205.38661	1.4
209.11768	12.4
210.12479	1.3
211.13298	100.0
212.13713	1.1
213.11279	1.7
219.13710	1.8
223.13333	1.4
227.12773	18.0
229.14449	4.5
230.81078	1.1
241.14340	1.0
247.13319	5.6
249.14919	2.5
255.15903	3.9
265.14294	3.0
267.15930	34.3
269.17416	1.3
283.15466	16.7
285.16983	65.2
286.17227	2.0
301.16461	68.0
319.88751	1.3
321.16974	1.4
339.18082	3.2
384.50922	1.4
409.25882	5.8
417.87357	1.3
421.25635	2.8
427.26709	6.1
439.26904	24.1
459.27332	4.5
461.28766	1.6
475.26770	5.2
476.27615	3.7
477.28482	4.7
493.27988	22.7
494.28870	7.9
511.29059	75.4
512.29388	2.7
551.81604	1.2
607.34064	1.3
655.34277	1.6
752.74146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08168	1.4
61.02935	2.7
65.03954	0.6
67.05510	4.5
69.03424	2.5
69.07064	2.2
70.63451	1.2
71.05000	0.9
71.36896	0.4
73.02927	3.4
79.05496	3.9
81.03415	2.5
81.07067	5.4
83.04974	0.8
83.08630	1.3
84.26286	0.4
85.02907	2.9
86.09712	5.8
87.04498	0.6
87.10056	0.4
91.03967	1.4
91.05485	3.8
93.07050	3.8
95.04997	1.3
95.08611	2.2
97.02896	3.7
97.10161	0.4
98.98467	0.8
99.04484	0.5
101.02403	1.8
104.10756	0.8
105.07052	2.9
107.05016	0.8
107.08604	3.0
109.10194	1.2
117.07040	1.1
119.08621	1.8
121.10165	1.0
125.00012	3.9
127.03954	1.1
131.08601	0.8
133.10182	1.3
135.11745	1.2
143.08646	0.5
145.10172	1.1
147.11713	0.8
151.06088	0.4
159.11716	0.4
184.07353	18.6
185.04256	0.6
185.07716	1.0
203.05307	0.7
243.08357	2.8
244.54204	0.4
315.44507	0.4
333.20395	2.7
389.22937	0.6
439.19183	2.1
453.20929	2.3
469.20605	1.0
551.28333	10.7
663.12543	0.4
763.42163	0.9
861.49652	100.0
862.50110	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.4
65.03972	0.6
67.05511	5.4
69.03425	2.7
69.07087	1.5
71.01349	0.6
71.05000	1.6
71.51835	0.4
73.02927	3.4
78.28963	0.3
79.05495	4.0
80.05808	0.4
81.03441	1.8
81.07064	4.6
83.08643	0.8
83.25373	0.4
85.02916	4.7
85.06549	0.5
86.09718	1.1
87.04504	0.4
91.03956	2.5
91.05482	2.3
92.50963	0.4
93.07059	3.9
95.03915	0.3
95.05007	0.6
95.08617	3.1
97.02901	4.2
97.06552	0.7
97.10222	0.5
98.98493	0.5
99.04467	0.6
101.02394	1.3
105.07076	1.8
107.08600	1.9
109.02912	0.6
109.10184	1.7
119.08626	1.4
121.10194	0.9
123.46883	0.4
124.99989	1.0
127.03970	1.3
131.08577	1.0
133.10126	0.9
135.08066	0.5
135.11725	1.0
145.10162	0.6
147.11810	0.7
149.13312	0.6
159.11745	0.9
184.07356	4.3
185.04274	0.5
185.07709	0.7
243.08386	2.2
365.23041	3.2
421.26276	0.5
485.23901	0.7
519.29358	5.8
583.30890	4.3
584.30859	0.5
644.17133	0.5
691.40405	0.6
714.05786	0.4
861.53351	100.0
862.53784	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	859.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.8
65.03928	0.5
67.05508	5.4
69.03426	2.6
69.07071	2.1
69.13651	0.4
70.07404	1.7
71.04992	1.1
73.02917	2.8
79.05495	4.7
81.03415	2.2
81.07067	6.6
81.91725	0.5
83.04990	0.8
83.08640	0.8
85.02908	4.7
86.09710	1.4
91.03979	2.4
91.05490	4.3
93.07043	3.7
95.04990	1.1
95.08624	2.7
97.02901	3.7
97.06548	0.8
99.04471	0.8
101.02375	1.2
105.07024	3.4
107.04932	0.4
107.08574	2.3
109.06525	1.0
109.10167	1.2
117.07026	0.7
119.08579	1.8
121.06516	0.4
121.10157	1.2
125.00055	1.2
127.03947	1.2
129.07011	0.6
131.08592	1.2
133.10179	2.1
135.11702	1.0
145.10114	0.8
147.11699	0.8
155.20743	0.4
175.11224	0.5
184.07323	5.3
193.12292	1.0
217.12175	0.5
243.08517	2.0
273.18607	0.5
315.10608	0.6
316.09854	0.4
331.18915	2.6
333.20383	1.4
411.66080	0.5
439.19583	0.7
451.19589	1.1
453.21130	1.3
531.25970	1.9
549.26727	2.2
551.28326	8.6
623.30615	0.6
761.40240	2.5
790.41376	0.8
841.47131	9.0
841.62677	0.5
859.48077	100.0
860.48376	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	861.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08162	0.8
61.02936	3.3
62.65740	0.3
67.05508	5.1
69.03439	2.8
69.07076	2.9
70.90869	0.7
70.91190	0.6
71.05001	0.8
73.02934	2.6
79.05495	5.1
81.03426	2.5
81.07063	5.6
83.04983	0.9
83.08611	1.0
85.02921	4.2
85.06529	0.4
86.09711	2.8
87.04478	0.5
91.03960	2.0
91.05495	4.0
93.07040	3.5
95.04983	1.4
95.08607	2.2
95.28673	0.4
97.02883	2.8
97.06557	0.6
99.04476	0.6
100.98423	0.4
101.02371	1.3
105.07038	2.3
107.04973	0.7
107.08615	1.8
109.02876	0.6
109.10189	0.7
117.07057	1.5
119.08561	2.1
121.10183	0.9
123.11747	0.5
125.00011	1.8
127.03941	1.2
131.08578	2.0
133.10153	1.6
135.11743	1.7
145.10164	0.9
147.11769	0.8
163.11186	0.5
184.07368	6.8
185.07703	0.6
243.08424	2.8
292.26135	0.4
333.20340	2.9
389.23019	0.7
439.19641	1.9
453.21057	1.8
469.21243	0.5
527.38086	0.4
551.28333	11.8
763.41803	0.5
784.62616	0.4
861.49689	100.0
862.50165	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	861.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08171	0.6
61.02933	3.6
65.03968	0.4
67.05506	5.1
69.03426	2.9
69.07079	3.0
71.01336	0.5
71.01727	0.4
71.04997	0.5
73.02921	3.5
79.05499	4.9
81.03442	1.9
81.07056	6.4
83.04979	1.1
83.08630	0.6
85.02914	4.0
86.09716	2.4
87.04472	0.4
91.03967	1.6
91.05490	3.9
93.07034	4.0
95.04960	0.7
95.08629	2.6
97.02899	3.6
97.06509	0.6
98.20776	0.7
99.04527	0.5
101.02388	1.1
105.07016	2.2
107.08602	2.2
109.06544	0.7
109.10152	1.1
111.08093	0.4
117.07079	1.0
119.08578	1.8
121.10172	1.4
123.08109	0.6
125.00037	1.5
127.03946	0.8
131.08614	1.2
133.10149	1.2
135.11687	1.3
136.06200	0.6
145.10165	0.8
147.11642	0.6
159.11685	0.6
163.11215	0.4
184.07339	6.1
185.04266	0.5
185.07727	0.7
243.08464	2.3
273.73300	0.4
303.19699	0.5
307.87869	0.4
333.20428	4.3
389.23108	1.0
439.19522	2.3
453.21219	1.6
458.54721	0.4
469.20380	0.6
470.66571	0.4
551.28302	12.1
551.36298	0.8
552.29395	0.6
562.19214	0.4
633.65552	0.4
763.42273	0.6
861.49683	100.0
862.50177	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	861.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	5.1
67.05510	6.4
67.58958	0.3
69.03431	2.6
69.07067	1.0
69.29740	3.0
71.01360	0.5
73.02924	3.8
75.04472	0.5
78.74023	0.3
79.05499	3.1
81.03410	1.6
81.07059	4.2
83.08633	0.7
85.02396	0.3
85.02896	5.1
89.06066	0.4
91.03959	3.5
91.05482	1.8
92.03288	0.3
93.07040	2.5
95.04959	0.5
95.08617	3.5
95.49157	0.3
97.02896	4.9
97.10195	0.5
99.04437	1.1
101.02380	1.6
105.07066	1.1
107.08603	1.6
107.62910	0.3
109.02887	0.8
109.06580	0.5
109.10166	4.6
110.30978	0.3
115.03965	0.5
117.06997	0.4
119.08598	1.0
121.10165	1.4
123.11670	0.4
127.03911	1.5
131.08524	0.6
133.10159	0.9
134.09055	0.4
135.11687	1.2
145.04970	0.6
145.10030	0.3
147.11703	0.7
156.03943	0.3
157.18678	0.3
173.11771	1.0
184.07372	0.9
185.04262	1.3
195.09949	0.7
203.05331	0.4
229.14391	0.5
243.08371	2.1
251.12622	0.3
301.08832	2.2
315.10492	0.7
335.25809	0.8
373.11099	1.2
385.18649	1.7
399.25116	0.4
413.17935	4.8
509.23737	0.7
519.29327	9.9
554.30310	0.5
578.30743	2.6
591.31281	1.9
629.73938	0.4
633.36029	0.8
634.49829	0.4
662.39807	1.7
691.40283	100.0
692.40759	5.2
717.41449	0.6
719.43182	2.0
747.42529	2.8
861.49725	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	859.4813
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02932	4.0
65.03941	0.9
67.05511	5.8
69.03427	2.6
69.07075	2.3
71.01347	0.6
71.04994	0.5
73.02919	2.7
79.05485	4.5
81.03432	2.7
81.07067	6.0
83.04987	1.3
83.08652	0.5
85.02911	3.4
87.04478	0.8
91.03970	2.0
91.05491	4.9
93.07059	3.5
95.04992	2.0
95.08614	3.3
96.29388	0.5
97.02900	3.6
97.06544	1.0
97.92620	0.5
98.21700	0.6
99.04461	0.9
101.02426	1.2
103.05513	0.6
105.07051	3.4
107.04954	1.1
107.08611	2.3
107.38283	0.5
109.02887	0.9
109.06516	0.8
109.10188	1.2
117.05369	0.5
117.07023	1.4
119.08609	1.5
121.10168	1.1
123.08064	0.7
127.03927	0.6
128.10748	0.5
129.07019	0.6
131.08621	1.4
133.10130	2.5
135.11746	1.1
143.08638	0.7
145.10184	1.2
147.08142	0.6
147.11745	0.7
151.11287	0.7
175.11195	0.8
184.07422	2.2
193.12401	1.1
216.89851	0.5
243.08424	3.3
313.17780	0.8
331.18997	2.1
333.20276	1.4
376.32446	0.5
439.19675	0.9
451.19812	1.3
453.21133	1.1
531.25775	1.7
549.26660	3.3
551.28308	9.7
552.29034	0.6
623.30579	1.3
747.38788	0.6
761.40869	2.8
841.47162	9.2
842.47528	0.8
859.48151	100.0
860.48645	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	859.4816
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02926	3.6
64.80539	0.3
67.05513	7.4
68.05853	0.5
69.03427	2.9
69.07072	4.4
71.04994	0.4
71.08638	0.6
73.02925	2.2
79.05502	6.2
81.03429	2.9
81.07068	7.9
82.07377	0.5
83.04985	1.2
83.08617	1.8
83.50735	0.4
85.02917	3.2
85.06557	0.5
86.09720	1.1
91.03973	1.3
91.05489	5.2
93.07066	5.2
95.04436	0.4
95.04984	1.5
95.08613	3.0
97.02907	3.2
97.06539	0.5
97.10193	1.6
99.04497	0.9
101.02401	1.3
105.07035	3.1
107.04992	0.6
107.08592	2.9
108.08922	0.6
109.02872	1.0
109.06557	0.9
109.10190	1.6
111.08090	0.4
113.09710	0.5
115.03971	0.4
117.07029	0.9
119.08616	1.9
119.83031	0.5
121.06564	0.7
121.10166	1.5
123.08077	0.6
125.00031	1.0
125.09684	1.2
127.03936	0.9
129.07013	0.6
131.08588	1.9
133.10161	1.2
134.10417	0.4
135.08057	0.7
135.11710	1.5
137.09662	0.5
143.08582	0.4
145.05000	0.4
145.10179	1.0
147.11742	0.9
149.13309	1.3
150.13719	0.4
151.11226	0.6
159.11717	0.7
161.13100	0.4
163.11200	0.5
171.11723	0.4
179.14351	0.5
181.77013	0.4
181.92880	0.4
184.07335	4.0
185.04219	0.8
195.13905	0.5
203.05333	0.6
223.13368	1.3
243.08473	3.8
269.17615	1.3
270.17963	0.8
275.20203	1.1
276.20428	0.6
277.21747	0.7
291.19662	1.1
301.08963	0.4
317.03760	0.4
331.18985	1.4
333.20554	1.6
349.23627	0.7
352.25687	0.8
401.86926	0.4
439.19720	0.6
449.28860	0.4
453.21396	0.5
463.30801	1.4
464.31137	1.4
544.37482	0.5
546.38702	0.8
549.26874	4.6
551.28412	6.0
654.78387	0.4
761.40009	0.6
859.48175	100.0
860.48590	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	859.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	3.2
65.15910	0.3
67.05511	7.0
68.05856	0.4
69.03432	3.7
69.03776	0.5
69.07072	4.1
70.06617	0.3
70.17210	0.6
70.17608	0.7
71.01357	0.5
71.04999	0.6
71.08621	0.4
73.02917	2.6
79.05504	6.1
79.15327	0.3
81.03424	2.6
81.07059	7.4
82.07406	0.4
83.04992	1.3
83.08636	1.3
85.02908	3.9
85.06538	0.4
86.09705	2.4
87.10073	0.4
91.03960	2.2
91.05490	3.8
92.05815	0.7
93.07050	4.8
94.07404	0.4
95.05002	1.2
95.08612	3.0
97.02893	3.8
97.06525	0.9
97.10189	1.3
98.21416	0.4
98.98499	0.5
99.04457	0.4
99.08121	0.3
101.02388	1.6
103.04000	0.4
105.07043	3.0
107.04963	0.6
107.08611	3.1
109.02911	0.8
109.06523	0.4
109.10175	1.3
109.26842	0.3
111.08096	0.4
117.07044	1.2
118.45073	0.3
119.08601	2.1
121.06522	0.3
121.10161	1.4
123.08141	0.5
123.11686	0.5
125.00004	2.0
125.09632	0.8
127.03957	0.8
129.05505	0.7
129.07036	0.4
131.08604	1.4
132.08919	0.4
133.10132	2.3
135.08072	0.5
135.11719	1.5
137.09642	0.4
145.10175	1.2
147.08089	0.3
147.11722	1.0
149.09651	0.4
149.13319	0.6
151.11205	0.4
155.08693	0.3
157.10197	0.7
159.11740	0.9
171.11594	0.4
173.11922	0.4
173.13374	0.6
180.74562	0.4
184.07355	7.3
185.04240	0.5
185.07782	1.1
189.11241	0.4
195.13812	0.5
201.16319	0.4
203.05208	0.4
223.13400	1.1
243.08408	4.2
269.17615	1.4
270.17899	0.8
275.20184	0.6
291.19702	1.3
331.19003	1.4
333.20453	0.9
349.24023	0.4
352.25995	0.3
387.21585	0.5
439.19754	0.6
450.29208	0.6
453.21317	1.1
463.30908	0.9
464.31146	0.7
469.99680	0.3
544.37476	0.6
546.39539	0.4
549.26624	4.8
551.28418	5.7
556.65399	0.4
747.97009	0.3
749.03247	0.4
783.56555	0.5
859.48138	100.0
860.48523	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	858.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	3.6
60.65335	1.1
61.02925	3.9
65.03930	5.5
67.05509	88.8
68.05830	1.7
69.03437	12.5
69.07073	34.7
70.06597	2.6
71.05001	7.2
71.07349	3.0
71.08631	11.9
73.02898	3.7
77.03886	1.4
79.05500	65.5
80.05846	1.3
81.03427	18.1
81.07062	100.0
83.04988	17.5
83.08625	21.3
85.02903	7.8
85.06533	6.1
86.09710	17.9
91.03917	1.3
91.04903	1.9
91.05487	58.9
93.07047	76.4
94.07330	1.5
95.04983	14.2
95.08614	45.7
96.66927	1.2
97.02884	5.8
97.06537	17.0
97.10173	13.9
98.98476	3.1
99.04459	2.0
99.08092	13.7
104.10748	1.9
105.04501	2.4
105.07040	42.9
107.04971	9.5
107.08601	41.6
108.69570	1.3
109.02864	4.0
109.06522	9.3
109.10158	16.1
111.08090	6.4
113.09653	2.7
115.05438	3.7
116.07068	1.5
117.07026	21.7
119.08587	29.9
120.08126	2.1
120.08900	1.6
121.06508	5.2
121.10144	23.8
123.08088	5.3
123.11729	7.6
125.00024	15.2
125.09644	9.1
127.03902	4.9
128.06186	2.7
129.05501	2.2
129.07022	8.0
131.08578	23.3
132.08932	1.6
133.03563	1.2
133.06532	1.5
133.10133	28.1
134.40649	1.1
135.08040	6.3
135.11710	19.1
137.09625	4.0
137.13290	1.6
139.11151	1.3
141.07036	3.5
142.07751	2.0
143.08574	8.2
145.06506	1.9
145.10123	18.8
147.08076	2.6
147.11710	13.2
148.12190	1.2
149.09637	13.1
149.13278	19.6
151.11185	14.4
155.08492	3.0
157.10155	7.7
159.10432	2.2
159.11678	17.8
161.09694	2.1
161.13260	8.2
163.11189	10.7
163.14818	1.7
165.12766	3.6
167.08582	1.9
169.10123	3.6
171.10414	1.2
171.11662	7.5
173.04472	2.7
173.11789	2.5
173.13281	5.3
175.11206	2.1
175.14786	2.9
177.12698	6.3
179.14346	5.1
181.09993	1.4
183.11703	2.5
184.07353	60.8
185.13298	4.8
187.14822	1.8
189.11203	4.9
189.12726	2.4
191.14272	1.9
193.12164	1.7
193.15916	1.4
195.11920	2.1
195.13792	11.6
197.13240	3.1
201.16507	1.5
209.13377	1.4
213.14783	1.8
219.17493	1.5
227.12804	9.4
229.19585	1.7
233.15373	2.3
243.08275	1.3
247.20586	1.6
251.16452	2.2
253.18153	2.0
255.15921	9.1
257.19073	5.5
259.20587	5.3
267.16003	1.9
269.17496	52.7
270.17749	2.3
275.20084	18.9
277.21658	18.7
291.19366	1.7
295.22708	1.9
331.22684	1.9
333.24457	2.0
335.25732	2.4
349.23779	16.3
351.25238	20.9
367.24823	4.1
431.27887	1.6
445.29443	4.2
447.30933	2.4
449.29019	16.6
453.33636	2.7
463.30591	44.0
487.30267	1.9
489.35388	2.4
525.35614	2.3
527.37299	3.5
531.36700	4.9
543.36859	17.8
545.38434	19.8
546.37689	1.6
551.28381	2.8
561.37439	4.8
575.58356	1.6
607.34662	3.6
625.44415	5.5
643.45129	3.7
858.46832	1.8
859.32874	2.3
859.48120	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.4
62.78655	0.4
65.03960	0.8
65.05895	0.4
67.05507	10.2
68.05832	0.6
69.03431	2.8
69.07067	3.9
71.04993	0.7
71.08620	0.5
73.02910	2.6
75.60406	0.4
79.05501	7.6
80.05823	0.6
81.03437	2.3
81.07069	10.6
82.07386	0.6
83.04979	2.1
83.08636	1.5
84.08133	0.6
85.02908	3.1
85.06554	0.7
86.09712	1.9
91.03966	1.5
91.05489	8.0
92.05777	0.8
93.07054	6.9
94.07372	0.5
95.04984	2.6
95.08604	4.5
96.08962	0.6
97.02909	3.4
97.06548	1.8
97.10192	1.5
99.04448	0.7
101.02402	1.0
105.07025	7.0
105.07684	0.5
106.07397	0.8
107.04984	1.3
107.08599	5.3
108.08969	0.6
109.02895	0.6
109.06539	1.3
109.10157	4.1
111.08089	0.5
117.06996	2.3
119.08576	4.1
120.08968	0.6
121.06560	0.7
121.10175	2.0
123.08075	1.0
123.11744	0.7
125.00041	0.9
125.09671	1.4
127.03881	0.5
129.07007	0.7
130.08658	0.5
131.08627	1.7
133.10146	4.4
135.08087	1.0
135.11737	1.7
143.08562	0.5
145.10167	1.8
146.10432	0.6
147.08081	0.9
147.11775	1.3
148.12083	0.7
149.09633	0.5
149.13281	1.1
151.11227	1.6
157.10176	0.8
159.11734	0.6
161.09651	0.6
161.13293	0.8
162.13687	0.5
163.11241	0.8
165.09215	0.5
169.10185	0.6
171.11702	0.4
172.60573	0.5
173.13290	0.6
175.11172	0.6
176.16513	0.5
177.12772	0.5
184.07344	5.0
185.04309	0.9
185.13235	0.7
193.12323	0.7
195.12003	0.5
195.13860	0.6
203.05293	0.6
223.13403	1.8
229.46936	0.5
236.54782	0.5
241.19623	0.5
243.08397	3.7
253.14499	0.8
254.14885	0.6
258.19260	0.5
259.20584	0.9
273.18710	0.9
275.20227	0.5
291.19724	1.9
293.20956	0.5
331.18896	1.9
335.25620	0.7
387.21478	0.9
549.26770	11.7
550.27014	0.7
560.36731	0.5
768.35797	0.5
798.71118	0.5
807.12695	0.5
839.45526	0.7
857.46606	100.0
858.46661	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	858.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	5.1
60.93036	0.9
61.02916	0.9
64.12504	0.8
65.03947	2.2
67.00750	0.9
67.05508	39.9
69.03426	5.1
69.07077	17.3
69.35266	4.4
69.35689	2.5
70.06586	2.4
71.04996	2.6
71.07372	4.7
71.08636	6.7
73.02912	1.3
79.05499	32.3
80.05856	0.9
81.03412	9.9
81.07063	46.9
83.05002	9.2
83.08622	9.2
85.02901	4.8
85.06540	2.5
86.09714	33.2
86.10247	1.4
91.05490	28.0
93.07046	34.2
95.04977	9.0
95.08611	24.5
96.08961	1.0
97.02900	4.3
97.06546	9.7
97.10188	5.2
98.45219	0.9
98.98484	3.9
99.08097	6.6
103.05470	1.2
104.10754	3.0
105.04536	1.1
105.07034	22.5
105.07697	1.8
107.04966	4.3
107.08603	21.8
109.02895	1.4
109.06533	3.5
109.10176	8.9
111.08089	3.8
113.09718	1.1
115.05424	1.2
117.07027	11.2
119.08584	15.0
120.08073	1.1
121.06525	3.4
121.10130	10.4
123.08086	2.6
123.11732	2.2
125.00018	21.0
125.09639	3.5
127.03904	2.4
128.06235	1.9
129.05424	1.2
129.07014	3.9
131.08571	11.9
133.06488	1.1
133.10129	12.9
135.08081	3.6
135.11720	9.9
137.09618	1.8
141.07028	1.5
143.08589	5.8
144.09241	1.0
145.10132	8.6
147.08061	2.3
147.11681	7.5
149.09634	5.3
149.13293	9.4
151.11189	6.1
155.08531	2.1
157.10133	3.6
159.08044	1.5
159.11694	9.6
161.13278	4.8
163.11206	7.4
163.14864	1.3
165.12752	1.2
169.10135	3.3
171.11697	2.5
173.04480	2.1
173.09674	1.1
173.13290	2.9
175.11234	2.1
175.14795	1.0
177.12799	3.8
179.14334	3.3
183.11732	2.2
184.07353	100.0
185.13333	1.8
187.14980	1.0
189.11226	2.3
195.11969	1.1
195.13837	4.1
197.13297	1.0
199.14847	1.8
227.12738	5.4
229.14314	1.0
229.19582	1.0
229.92445	1.1
239.17947	1.8
241.19624	1.0
250.04791	0.9
253.17989	1.0
255.15996	4.8
257.19061	3.1
259.20724	1.8
267.15967	2.6
269.17484	25.7
275.20114	11.3
277.21652	9.0
293.21216	1.1
297.70255	0.9
303.15964	0.9
338.54984	1.0
349.23773	11.0
351.25363	10.0
433.30426	1.2
445.29483	1.2
449.29022	8.2
463.30560	15.9
464.30865	1.2
525.35638	1.9
527.37372	2.0
531.36536	2.7
543.36841	11.5
545.38513	11.7
561.37738	1.7
625.44427	4.6
643.45825	2.0
858.48175	3.6
859.47449	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	857.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	2.9
65.03945	0.6
67.05512	8.1
68.05858	0.7
69.03429	4.4
69.07074	3.6
70.06605	0.7
73.02915	2.9
79.05498	6.9
80.63540	0.6
81.03436	2.3
81.07062	8.0
82.92468	0.7
83.04996	1.7
83.08627	1.3
85.02912	4.8
86.09706	1.3
87.04443	0.5
91.03979	2.1
91.05487	8.8
93.07049	6.3
94.07376	0.8
95.04991	1.8
95.08608	4.4
97.02880	3.6
97.06561	1.5
97.10184	0.6
99.04469	0.8
101.02391	1.7
105.07043	6.4
107.04977	1.8
107.08627	4.4
109.06556	1.9
109.10177	4.4
113.09690	0.6
115.86431	0.5
117.07039	1.4
119.08569	2.6
121.06518	0.9
121.10175	1.3
125.00026	0.8
127.03976	1.7
129.05495	0.6
131.08614	2.2
133.10130	5.5
134.07188	0.5
134.10518	0.6
135.08072	1.0
135.11697	1.1
145.10179	1.0
147.11740	1.3
149.09625	1.0
151.11191	1.3
161.09647	0.7
163.11269	0.6
179.14247	0.8
183.81670	0.5
184.07370	3.8
185.04265	0.7
193.12318	1.0
232.11797	0.6
232.28627	0.6
243.08475	4.0
284.91302	0.5
301.08936	0.6
301.17834	0.7
313.17819	1.0
315.10626	0.6
331.18872	2.7
335.25931	1.2
336.26181	0.8
376.30167	0.7
387.21820	0.9
451.19751	1.6
479.19379	0.6
531.25995	2.3
549.26788	12.8
621.28937	1.2
759.39380	3.4
839.45447	8.9
840.45441	0.7
857.46545	100.0
858.47235	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	857.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.4
62.78655	0.4
65.03960	0.8
65.05895	0.4
67.05507	10.2
68.05832	0.6
69.03431	2.8
69.07067	3.9
71.04993	0.7
71.08620	0.5
73.02910	2.6
75.60406	0.4
79.05501	7.6
80.05823	0.6
81.03437	2.3
81.07069	10.6
82.07386	0.6
83.04979	2.1
83.08636	1.5
84.08133	0.6
85.02908	3.1
85.06554	0.7
86.09712	1.9
91.03966	1.5
91.05489	8.0
92.05777	0.8
93.07054	6.9
94.07372	0.5
95.04984	2.6
95.08604	4.5
96.08962	0.6
97.02909	3.4
97.06548	1.8
97.10192	1.5
99.04448	0.7
101.02402	1.0
105.07025	7.0
105.07684	0.5
106.07397	0.8
107.04984	1.3
107.08599	5.3
108.08969	0.6
109.02895	0.6
109.06539	1.3
109.10157	4.1
111.08089	0.5
117.06996	2.3
119.08576	4.1
120.08968	0.6
121.06560	0.7
121.10175	2.0
123.08075	1.0
123.11744	0.7
125.00041	0.9
125.09671	1.4
127.03881	0.5
129.07007	0.7
130.08658	0.5
131.08627	1.7
133.10146	4.4
135.08087	1.0
135.11737	1.7
143.08562	0.5
145.10167	1.8
146.10432	0.6
147.08081	0.9
147.11775	1.3
148.12083	0.7
149.09633	0.5
149.13281	1.1
151.11227	1.6
157.10176	0.8
159.11734	0.6
161.09651	0.6
161.13293	0.8
162.13687	0.5
163.11241	0.8
165.09215	0.5
169.10185	0.6
171.11702	0.4
172.60573	0.5
173.13290	0.6
175.11172	0.6
176.16513	0.5
177.12772	0.5
184.07344	5.0
185.04309	0.9
185.13235	0.7
193.12323	0.7
195.12003	0.5
195.13860	0.6
203.05293	0.6
223.13403	1.8
229.46936	0.5
236.54782	0.5
241.19623	0.5
243.08397	3.7
253.14499	0.8
254.14885	0.6
258.19260	0.5
259.20584	0.9
273.18710	0.9
275.20227	0.5
291.19724	1.9
293.20956	0.5
331.18896	1.9
335.25620	0.7
387.21478	0.9
549.26770	11.7
550.27014	0.7
560.36731	0.5
768.35797	0.5
798.71118	0.5
807.12695	0.5
839.45526	0.7
857.46606	100.0
858.46661	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	856.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
60.91943	1.8
61.02910	2.5
65.03939	7.8
67.05508	100.0
69.03420	6.2
69.07072	28.7
69.25254	2.5
69.25658	13.9
71.05002	12.3
71.08617	2.9
77.03896	2.2
79.05496	72.2
81.03418	13.3
81.07058	90.6
83.04974	11.8
83.08629	17.8
85.02895	4.4
85.06547	2.6
91.03949	3.3
91.05486	50.1
93.07047	78.6
95.04967	13.0
95.08611	57.0
97.02884	4.7
97.06536	12.9
97.10165	8.0
99.08061	3.9
103.05433	2.1
105.07037	33.8
107.04932	5.7
107.07880	2.8
107.08601	41.5
109.06516	6.0
109.09467	2.8
109.10165	38.5
111.04493	1.9
111.08125	8.1
117.07011	14.8
119.08572	28.6
121.06497	4.5
121.10139	26.4
123.08051	3.9
123.11700	5.4
125.09625	7.3
129.05492	2.2
129.06978	6.1
131.08583	22.0
133.06487	1.6
133.10139	21.1
135.08038	5.4
135.11705	21.3
137.09628	4.0
139.11137	2.1
141.06927	1.8
143.08540	3.4
145.10133	16.7
147.07991	2.2
147.11700	11.2
149.09625	6.9
149.13268	13.8
151.11159	5.2
157.10104	4.0
159.11708	12.4
161.09612	3.1
161.13217	3.9
163.11166	4.6
163.14815	4.0
169.09998	2.8
171.11617	4.0
173.11757	4.0
173.13246	7.8
173.21436	1.6
175.11299	2.2
175.14740	2.8
177.12733	2.5
179.14348	1.9
181.12149	1.6
183.11740	2.1
185.13283	2.8
187.14839	3.9
191.14394	2.2
195.13708	2.4
197.13158	2.1
199.14822	2.0
208.40416	1.7
227.12767	4.4
229.14391	25.7
243.21201	3.4
247.20499	2.5
253.14363	3.3
257.18970	6.1
261.22153	9.7
267.15997	4.4
269.17508	7.0
275.20139	22.3
291.19449	2.4
293.21100	12.2
307.22629	2.5
331.22672	3.5
335.25812	71.1
349.23798	16.6
353.26791	2.0
367.24902	3.4
381.26218	3.9
405.26416	2.2
413.21899	8.2
489.35745	18.3
507.36047	2.0
529.38904	88.1
530.38983	3.5
569.42133	8.2
593.66187	1.7
609.45325	25.3
619.31830	2.2
627.45135	2.2
641.47699	12.2
659.44592	2.3
673.43237	9.1
857.47449	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	857.466
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02933	4.3
62.75477	0.4
65.03936	0.5
67.05509	9.4
68.05831	0.7
69.03435	4.6
69.07070	4.4
71.04990	1.0
71.51141	0.6
73.02924	3.3
79.05504	7.7
81.03426	2.7
81.07062	10.2
83.04991	2.0
83.08620	2.4
85.02918	5.2
85.06539	0.8
86.09710	1.1
91.03967	2.0
91.05489	8.0
91.06027	0.7
92.05827	0.6
93.07052	7.1
95.04974	2.7
95.08614	5.0
96.08981	0.4
96.72015	0.5
97.02908	4.6
97.06555	1.0
97.10169	2.4
99.04454	1.3
99.08089	0.6
101.02398	1.6
101.07140	0.5
105.07036	6.5
107.04966	2.2
107.08604	3.9
108.08955	0.6
109.06538	2.1
109.10157	3.7
111.08122	0.7
116.07256	0.5
117.07040	1.9
119.08588	2.4
121.06556	0.6
121.10164	1.8
123.08087	1.1
123.11753	0.8
125.00034	1.0
125.09644	1.2
127.03944	1.6
128.12236	0.5
129.05542	0.5
129.07018	0.6
131.08614	2.1
133.06528	0.5
133.10135	4.8
134.10501	0.7
135.08081	1.5
135.11731	1.5
143.08559	0.8
145.06473	0.6
145.10181	1.2
147.08073	0.8
147.11760	1.3
149.09662	1.0
151.11224	1.6
153.09174	0.5
157.10170	0.7
159.11682	0.7
161.09685	0.5
161.13278	0.6
163.11183	0.6
165.12836	0.9
175.11218	0.8
177.12784	0.6
184.07385	3.1
185.04312	0.9
188.00485	0.6
193.12328	0.7
199.71185	0.5
203.05280	0.6
205.12231	0.5
223.13353	1.7
243.08395	3.9
253.14473	2.0
254.14717	0.8
259.20624	0.7
269.17624	1.3
270.18060	0.5
273.18573	0.6
275.20111	1.2
291.19730	2.0
292.20123	0.7
293.21075	1.2
301.09015	0.9
301.17886	0.8
313.08902	0.5
313.17694	0.6
318.20737	0.5
331.18750	2.7
333.44080	0.5
335.25833	0.9
349.23782	0.7
352.76187	0.5
357.15189	0.7
366.23889	0.6
367.24774	0.5
368.25366	0.6
387.21384	0.7
451.19547	1.5
522.23676	0.5
531.26105	1.6
549.26703	11.7
560.37250	0.6
562.38489	0.8
621.28589	1.0
642.44116	0.7
719.33069	0.5
726.43561	0.6
745.39252	0.5
759.39569	3.1
788.39417	0.8
839.45294	9.6
840.45587	1.0
857.46606	100.0
858.47021	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	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	3.4
61.97433	2.4
64.39375	2.0
65.03931	5.9
66.71698	2.1
67.05510	85.4
69.03444	11.8
69.06736	2.7
69.07074	36.9
69.25968	19.5
71.05003	5.5
73.85435	2.2
79.05497	99.5
81.03429	18.3
81.07060	83.9
83.04974	16.0
83.08163	2.7
83.08622	39.9
85.02895	6.0
85.06522	2.5
91.05488	73.0
92.05830	2.7
93.07047	71.1
95.04967	11.1
95.08609	42.7
97.02883	5.7
97.06536	21.2
97.10173	61.7
98.21600	3.0
99.04446	2.7
103.05461	2.2
105.07033	66.4
107.04962	16.5
107.08601	89.9
109.02840	3.6
109.06516	7.9
109.10162	27.2
111.08081	7.9
113.09642	3.6
115.05412	3.5
117.07018	24.8
119.07823	2.6
119.08598	40.1
121.06509	7.7
121.10175	20.3
123.08065	5.2
123.11720	7.6
125.00040	2.5
125.08777	3.4
125.09639	52.9
127.03913	7.6
128.06160	4.2
129.06979	10.2
131.08577	30.4
133.10138	36.3
135.08060	13.6
135.11711	14.6
135.64148	2.2
137.09612	5.6
137.46150	2.2
141.06987	5.6
142.07816	3.0
143.08578	10.6
144.09401	2.6
145.06538	2.0
145.10155	30.5
147.11682	21.4
149.09639	22.9
149.13257	10.9
151.11182	7.0
153.09122	2.8
155.08553	6.2
157.10112	8.3
159.11700	21.9
161.09683	2.8
161.13243	6.2
163.11198	10.8
169.10080	7.5
171.08043	3.1
171.10112	6.3
171.11700	9.0
173.11861	2.8
173.13199	10.6
175.14838	2.3
177.12775	7.0
179.14247	2.4
181.10136	3.1
181.12207	4.1
183.11702	7.6
184.07350	10.5
185.13271	5.2
187.11235	3.7
187.13316	2.7
187.14857	5.1
189.11246	27.1
191.14429	2.2
195.11719	3.1
195.13783	4.1
197.13246	3.9
199.14781	4.7
202.96788	2.0
207.11617	2.3
209.13316	3.6
211.14764	3.1
213.16354	2.3
227.12798	92.2
228.13316	2.9
229.19536	3.6
233.15288	2.4
237.16420	2.8
239.18005	7.8
245.13831	9.8
255.15767	11.6
257.18982	21.3
258.80801	2.1
267.15906	2.3
269.17484	23.6
273.18423	2.8
275.20090	100.0
293.21143	5.7
331.22638	8.1
349.23761	92.8
349.28122	2.9
350.24078	4.0
367.24820	3.8
389.17929	4.2
397.22186	4.7
398.69376	2.4
421.25763	4.5
425.25378	2.9
439.26868	10.3
474.52209	2.4
501.32327	4.2
511.34262	3.2
517.34808	2.5
519.33191	18.9
525.35529	7.6
529.35223	16.8
543.36829	76.9
544.36926	4.3
547.36340	2.6
561.37604	3.7
583.30371	3.6
602.69507	2.4
605.41992	3.1
623.43097	37.2
641.44128	11.1
665.42896	2.4
857.45197	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02942	3.5
65.03935	6.6
67.05511	90.1
69.03439	11.6
69.07074	44.5
71.05000	7.3
73.02913	3.6
79.05497	77.6
81.03436	17.4
81.07063	100.0
83.05000	15.7
83.08623	16.6
85.02914	6.5
85.06535	5.6
91.05490	69.6
91.06084	3.0
92.88784	1.9
93.07053	73.5
93.77794	1.9
95.04984	16.2
95.08617	51.5
97.02898	5.9
97.06537	24.1
97.10197	10.4
99.04458	2.8
99.08064	5.9
103.05492	2.2
105.04530	2.2
105.06316	2.7
105.07033	58.0
106.07377	2.3
107.04937	15.5
107.08609	45.4
109.06524	6.0
109.10146	18.3
111.08078	6.2
115.05469	3.8
117.07030	26.0
119.08590	38.1
121.06509	5.9
121.10151	21.5
123.08072	7.3
123.11723	7.3
125.09628	5.1
127.03879	3.3
128.06219	2.4
129.07021	9.5
131.08582	30.6
133.06505	2.3
133.10153	30.5
135.08060	7.8
135.11684	21.5
137.09618	5.3
141.06981	3.5
143.08565	8.8
145.06520	2.8
145.10136	26.9
147.08032	4.3
147.11719	18.4
149.09613	18.8
149.13260	18.3
155.08542	3.8
157.10147	5.4
159.11723	23.5
161.13275	7.4
163.11153	10.1
165.12685	2.8
167.08498	2.8
169.10133	4.9
171.11691	5.1
173.04485	4.5
173.13286	9.0
175.11191	2.3
177.12785	9.3
179.14279	6.2
182.13417	2.2
183.11646	4.9
184.07382	2.1
185.13202	5.5
187.11182	2.9
193.10367	1.9
195.13875	14.9
197.13324	4.6
199.14952	2.4
201.12762	4.7
215.14395	2.1
217.15892	2.3
227.12836	6.7
229.19476	2.8
229.25461	2.4
239.17989	4.1
247.20648	4.3
251.16299	3.3
255.15915	19.5
257.18973	11.0
259.20605	2.3
267.15952	3.8
269.17490	55.5
273.18671	2.3
275.20087	46.1
293.21127	4.1
331.22693	2.6
349.23718	40.8
367.24802	8.1
431.27286	2.2
435.27255	2.6
445.29547	3.6
449.28998	28.9
463.30579	40.5
525.35815	7.0
529.35144	8.9
543.36792	36.6
561.37939	8.4
623.42896	4.3
641.43671	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.3
62.41154	1.2
65.03939	4.5
67.05507	77.8
69.03424	9.7
69.07071	36.4
71.04984	6.3
73.02935	2.2
79.05495	70.5
81.03420	14.6
81.07060	100.0
83.04983	14.8
83.08617	17.0
85.02901	6.6
85.06554	4.6
91.05486	54.7
93.07047	76.0
95.04975	14.1
95.08614	33.9
97.02895	3.5
97.06536	17.6
97.10177	6.3
99.08081	4.8
103.05498	1.8
103.63567	1.3
105.04535	1.7
105.07036	48.2
107.04961	9.6
107.08595	36.8
108.08916	1.4
109.06532	7.5
109.10153	15.0
109.10835	1.7
111.08089	9.1
115.05447	3.0
117.07018	23.1
119.08588	31.1
121.06509	5.4
121.10155	23.9
123.08081	5.1
123.11728	5.8
125.09644	6.2
127.03937	3.8
128.06273	2.5
129.05508	2.1
129.07022	8.4
130.07832	1.9
131.08589	27.3
133.06493	2.6
133.10136	29.8
135.08092	6.4
135.11697	18.0
137.09653	3.7
139.11182	2.0
141.07018	2.6
142.07791	2.3
143.08560	7.1
145.10144	16.5
147.08112	1.9
147.11688	12.6
149.09636	15.5
149.13254	16.7
151.11208	4.3
155.08548	4.3
157.10159	8.3
159.11702	20.7
161.09593	1.9
161.13280	5.2
163.11209	9.9
165.12775	1.8
168.40237	1.6
169.10153	4.0
171.11699	6.0
173.04509	3.4
173.13310	4.2
175.14819	2.2
177.12796	5.5
179.14330	2.6
181.00363	1.3
181.12224	3.3
183.11678	3.2
184.07381	2.0
185.13298	2.8
187.14772	2.3
189.11197	2.4
189.12778	1.7
191.14209	1.5
195.12181	1.4
195.13794	8.9
201.56578	1.3
209.13304	2.2
213.16566	1.6
227.12750	3.3
229.19589	3.0
239.17926	4.5
241.10490	1.3
245.69258	1.5
247.20602	3.2
253.14336	3.7
255.15895	13.0
257.19049	7.7
267.15921	4.5
269.17496	59.8
270.17776	1.7
275.20102	36.6
277.18262	1.4
291.19601	2.1
293.21146	3.9
331.22842	2.4
349.23712	28.5
350.23679	1.5
353.24780	1.5
367.24600	6.1
404.01358	1.5
433.30585	1.7
435.27606	2.5
445.29337	3.3
449.28973	29.9
450.29358	2.2
463.24127	2.8
463.30603	47.1
464.30917	1.8
503.33667	1.9
515.37781	2.0
525.35693	3.7
529.35284	3.8
543.36908	26.6
544.37469	2.6
561.37604	5.6
607.34741	2.7
623.43848	2.6
629.07843	1.7
641.44379	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	856.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	3.2
62.68315	1.8
65.03949	6.2
67.05511	82.5
67.62067	1.8
69.03437	13.3
69.07071	44.4
71.04994	7.1
73.28299	1.7
77.03949	3.1
79.05501	71.7
79.05972	3.7
79.77354	1.9
81.03419	15.8
81.07062	100.0
83.04990	14.5
83.08620	17.2
85.02910	7.4
85.06539	7.0
91.04904	2.5
91.05485	69.1
93.07051	79.5
93.07644	3.9
95.04961	14.7
95.08614	45.4
95.09090	1.1
97.02892	5.9
97.06535	25.1
97.10182	10.3
99.04456	2.8
99.08101	4.2
103.05456	2.6
105.07040	57.6
106.04073	1.8
107.04973	14.2
107.08604	49.7
109.02914	3.4
109.06523	7.3
109.10168	20.1
111.04447	3.1
111.08067	7.8
113.09731	2.3
115.05492	1.8
115.25778	1.8
117.07019	23.3
117.07765	2.8
119.08589	39.8
121.06525	8.6
121.10161	25.8
123.08069	6.7
123.11695	7.2
125.09652	8.4
127.03939	5.2
128.06224	3.5
129.07011	11.4
130.07791	2.5
131.08580	32.4
133.10141	28.7
135.08037	5.7
135.11703	24.7
137.09663	5.7
139.11177	2.2
141.07025	5.9
142.07745	1.9
143.08568	7.4
144.53499	1.8
145.10144	27.8
147.08092	3.4
147.11687	18.3
149.09650	20.2
149.13286	18.8
151.11136	3.9
155.08551	5.6
156.09344	2.3
157.10139	11.6
159.08061	2.2
159.11708	19.3
161.09648	2.1
161.13266	8.0
163.11166	17.3
165.12738	3.8
168.09418	2.4
169.10178	4.9
171.10403	2.3
171.11751	7.8
173.04506	5.3
173.11833	3.3
173.13179	10.3
175.14897	2.3
177.12766	6.9
179.14355	5.6
181.10127	2.3
181.12289	2.9
183.11740	8.1
185.13295	5.3
187.11200	3.3
187.14891	4.7
189.11229	3.7
189.12737	3.6
195.11911	3.6
195.13846	10.1
197.07735	1.8
197.13274	4.5
199.14902	2.4
201.12495	2.3
201.16496	2.5
211.14763	2.1
227.12769	12.2
229.19460	2.5
239.17964	4.3
247.20494	3.1
253.14288	2.9
255.15857	21.6
257.18985	17.8
259.20633	2.3
267.15891	4.2
269.14566	2.2
269.17499	51.2
275.20084	63.4
276.20535	2.7
293.21182	5.2
325.16660	2.0
331.22729	5.3
336.79700	2.1
349.23785	54.1
367.24814	8.7
413.21619	2.8
417.30478	2.6
425.24850	2.3
435.27475	3.9
445.29730	2.4
449.29056	30.0
451.31686	3.4
463.30563	36.0
464.30829	3.6
511.34268	2.4
513.35693	2.2
525.35681	5.3
529.35620	11.4
543.36835	44.4
544.37323	2.2
545.56549	2.1
561.37488	6.6
578.29004	2.0
583.40259	2.2
607.35419	2.4
623.43506	10.1
641.44135	5.1
775.29187	2.6
777.15839	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	3.8
65.03951	3.9
65.53722	0.7
67.05508	100.0
68.05784	0.9
69.03420	4.4
69.07072	17.5
69.24597	3.6
69.25019	3.6
69.87865	0.9
71.01328	1.1
71.04995	4.3
71.08608	1.1
73.02904	3.1
73.03284	0.9
74.08081	0.8
77.03963	1.1
79.05498	47.8
81.03432	9.5
81.07060	60.8
83.04993	6.8
83.08623	14.6
85.02910	14.9
85.06542	3.3
87.04473	4.0
91.03940	1.8
91.04910	1.0
91.05486	27.3
93.07049	43.1
95.04973	5.7
95.08613	38.9
97.02906	4.1
97.06564	6.2
97.10173	17.2
98.20741	1.6
99.08090	1.7
105.04554	1.2
105.07032	16.9
107.04949	3.1
107.07879	1.5
107.08602	28.3
109.06506	3.3
109.10163	58.5
111.04430	1.9
111.08059	3.7
117.07040	7.2
119.08597	15.2
121.06527	0.9
121.10152	18.7
123.08067	3.3
123.11726	5.5
125.09639	16.4
129.05467	2.9
129.06989	1.9
131.08580	10.4
133.10156	7.8
135.11697	12.9
137.09633	3.4
137.13206	2.0
139.11192	1.7
143.08638	1.0
143.10669	2.2
145.10126	11.5
147.08046	1.9
147.11713	6.6
149.09616	1.9
149.13293	4.6
153.12735	3.1
155.08612	1.3
155.10664	6.8
157.08572	1.3
159.11685	5.2
161.13248	3.9
163.11206	9.5
163.14804	2.4
171.11646	1.0
173.09599	2.2
173.11743	14.3
173.13272	5.0
175.14854	1.6
177.12753	1.2
181.12210	2.2
185.13274	1.4
187.14767	2.2
189.11247	0.9
191.10796	1.4
192.30254	0.8
193.12291	1.7
199.13297	6.0
201.16397	1.5
209.11748	6.7
211.13348	0.8
217.14340	1.5
227.12778	8.2
229.14357	42.6
243.21053	3.9
245.13814	1.0
257.13873	1.2
259.20474	0.9
261.22174	14.0
267.15915	2.8
283.15384	2.2
287.23453	0.8
289.21570	0.9
301.16504	15.1
315.23203	1.0
317.24872	2.8
327.23047	1.3
335.25818	82.2
336.26099	1.5
363.25323	1.2
389.26825	0.9
389.37680	0.9
399.23816	17.1
433.86404	1.1
459.34576	1.7
477.35852	6.9
489.28876	1.4
489.35748	17.9
490.36127	1.1
543.36450	1.8
561.37909	5.8
579.38263	2.5
659.45111	15.2
660.45074	1.7
841.06775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08153	1.9
61.02919	2.5
65.03928	6.2
67.05510	100.0
69.03437	20.7
69.07072	54.7
69.68872	8.4
70.07404	3.0
71.04997	9.7
71.08636	10.1
73.02921	1.9
77.03885	3.1
79.05497	82.2
80.05833	3.2
81.03427	17.7
81.07061	98.9
82.07372	3.3
83.04997	17.5
83.08624	22.7
85.02895	9.4
85.06542	6.8
86.09723	7.5
87.04436	1.5
89.53304	1.5
91.05486	80.7
92.05821	5.1
93.07050	77.5
94.07356	3.5
95.04977	18.4
95.08614	51.2
97.02906	11.6
97.06544	17.2
97.09617	2.5
97.10180	22.6
98.21453	2.8
99.04459	2.2
99.08093	9.5
103.05438	2.6
105.04558	3.1
105.07036	64.4
106.07382	3.6
107.04960	14.9
107.07876	3.0
107.08601	56.0
108.08974	3.3
109.02869	3.4
109.06515	10.1
109.09476	2.5
109.10166	34.5
110.10480	3.3
111.04469	1.8
111.08086	6.0
113.09682	1.9
114.18482	1.6
115.05439	4.4
116.07102	2.0
117.07026	26.2
119.08593	43.7
121.06506	7.6
121.10155	26.3
122.10474	1.8
123.08064	7.9
123.11693	6.4
125.00011	3.8
125.09644	18.2
127.03902	5.1
128.06233	5.1
129.06996	14.5
130.07808	2.1
130.08649	2.1
131.05011	1.5
131.08578	32.6
132.08986	1.9
133.06487	3.6
133.10136	39.4
134.07317	1.7
134.10480	4.4
135.08060	8.8
135.11705	16.1
137.09624	6.0
139.11140	2.8
141.07082	3.3
142.07799	2.9
143.08562	13.9
144.09320	2.2
145.06491	3.9
145.10132	30.1
147.08032	7.0
147.11705	18.1
149.09590	15.4
149.13271	13.3
150.10037	1.7
151.11197	14.5
153.00464	1.8
153.09126	3.1
155.08569	6.0
157.10138	11.3
159.11693	19.3
161.09612	6.2
161.13278	10.5
163.11224	9.8
164.11549	2.0
169.10176	9.2
171.10342	2.6
171.11696	12.8
173.11844	3.1
173.13261	9.4
175.11235	4.4
175.14815	3.5
177.12770	5.0
179.14336	6.1
181.10175	4.4
183.11671	5.2
184.07336	25.2
185.13271	6.6
187.14864	3.5
189.11201	10.0
189.12708	2.5
189.99684	1.5
193.12236	1.7
195.11842	3.3
195.13837	5.2
197.13268	3.8
199.14838	2.9
201.12741	2.7
201.16457	1.7
209.13269	2.0
211.14818	2.3
219.13838	2.1
223.13264	12.1
227.12750	15.5
228.13196	3.0
229.14336	4.5
229.19533	2.5
239.17943	3.9
241.19456	4.4
249.14743	2.1
253.14368	11.4
254.14655	5.9
255.15218	2.7
257.19016	6.5
259.20587	9.6
267.03967	1.9
267.15884	2.5
269.17499	19.3
273.18481	14.0
275.20081	18.6
276.20410	2.8
277.21652	9.8
291.19550	75.2
292.20020	2.1
293.21045	8.7
306.27362	1.7
333.24252	8.6
335.25885	1.8
347.22015	1.8
349.23770	15.3
350.24063	3.3
351.25269	12.0
365.23337	29.1
365.27829	1.7
366.23538	3.2
367.24158	2.8
463.30927	2.9
513.35968	8.7
527.37177	3.7
543.36426	6.4
559.36359	43.0
560.36841	2.9
580.47601	1.9
607.43481	5.5
608.43018	2.3
623.42676	2.5
625.44312	5.8
641.44128	19.3
857.46838	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	854.5257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.4
65.03938	6.6
67.05510	90.0
69.03429	8.3
69.07074	30.2
70.17165	4.3
70.17520	2.9
71.04997	9.2
71.20187	1.5
73.02885	1.6
74.49590	1.5
77.03900	1.3
79.05498	60.3
81.03423	15.4
81.07063	100.0
83.04992	17.1
83.08632	12.8
85.02915	3.1
85.06564	7.1
91.05490	74.5
92.13078	1.5
93.07049	54.3
95.04977	18.5
95.08614	34.2
97.02882	3.6
97.06552	12.5
97.10184	5.1
99.04478	2.4
99.08075	2.3
103.05486	3.3
105.04527	3.3
105.07038	66.2
107.04963	12.4
107.08605	47.1
109.06519	13.2
109.10163	51.0
111.04440	3.0
111.08074	4.8
111.93186	1.7
113.05993	2.8
115.05453	3.7
117.07034	21.1
117.29158	1.5
119.08585	26.8
121.06551	9.7
121.10172	14.0
123.04423	1.6
123.08064	5.3
123.11760	10.0
125.09653	4.4
127.07567	2.8
128.06255	3.3
129.07030	8.0
131.08571	19.7
133.06506	4.9
133.10146	74.3
135.08054	8.1
135.11696	14.8
137.09627	5.8
141.07031	2.6
142.07808	1.9
143.08565	9.4
145.10133	15.4
147.08131	3.3
147.11717	9.0
149.09628	15.4
149.13274	6.8
151.11197	31.7
155.08669	2.1
157.10173	6.4
159.08105	1.6
159.11743	10.5
161.09669	8.8
161.13280	4.6
163.11162	7.7
165.09073	2.3
169.10101	2.9
169.12271	3.5
171.11731	5.2
173.09612	2.4
173.13258	5.4
175.11192	4.2
177.09091	1.9
177.12785	3.2
179.10712	3.6
179.14333	2.4
183.11626	2.9
185.13292	3.5
187.11189	2.4
195.11874	1.4
195.13776	3.4
215.12814	1.6
245.19109	3.2
251.13002	1.7
253.14372	94.7
254.14651	1.5
255.15996	6.4
257.19040	5.0
263.20135	2.8
267.15952	2.3
269.17471	23.8
271.15421	4.3
273.18481	24.8
275.20117	20.4
291.19604	19.7
309.20560	1.7
339.23230	1.7
347.22092	8.2
349.23730	13.0
365.23288	26.5
367.24725	3.8
371.85211	1.7
447.27283	5.9
451.26727	4.0
465.28607	15.4
499.33884	2.0
527.33514	4.0
541.35236	6.2
545.34741	16.0
559.36310	38.3
563.35547	1.8
639.42627	7.3
657.42938	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	854.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.3
65.03936	6.2
67.05510	100.0
68.05845	1.5
69.03415	9.7
69.06731	2.3
69.07075	28.5
70.15605	1.5
71.01334	1.9
71.04997	7.8
71.35627	1.4
71.51282	2.4
77.03937	2.4
79.05500	60.7
81.03429	17.6
81.07063	77.6
83.04985	11.9
83.08624	18.4
85.02917	8.9
85.06535	5.4
87.04477	16.4
91.05488	67.7
91.05938	1.2
93.07049	51.7
95.04977	13.6
95.08063	2.5
95.08619	33.9
97.02891	7.6
97.06539	12.7
97.10169	18.4
99.04463	7.3
99.08105	4.0
103.05470	3.5
105.04539	1.8
105.07039	50.1
106.07386	2.5
107.04934	10.4
107.08601	36.9
109.02869	2.1
109.06525	12.5
109.10165	55.3
111.04449	2.3
111.08102	8.9
115.05451	7.6
116.06261	4.6
117.07024	33.7
119.04938	1.9
119.08591	39.9
121.06517	5.9
121.10172	16.0
123.08093	4.9
123.11688	3.2
125.05994	1.9
125.09643	16.3
127.03915	3.7
128.06227	18.2
129.05510	2.5
129.07031	21.4
130.07784	6.7
131.08572	61.3
132.08931	1.8
133.06522	6.9
133.10138	20.6
135.08099	7.6
135.11728	11.9
137.09650	6.3
137.13322	1.8
139.11185	2.5
141.06990	9.5
141.08975	1.4
142.07767	3.8
143.08574	60.4
145.06505	3.1
145.10136	63.2
147.08031	6.1
147.11719	12.1
149.09653	8.5
149.13255	7.8
151.11223	2.6
153.07167	1.5
153.12779	3.2
154.07780	2.5
155.08546	7.3
155.10669	4.7
157.10153	20.2
159.08087	4.3
159.11710	17.2
161.09619	7.3
161.13275	2.9
163.11211	10.4
165.06998	3.0
165.12787	2.4
167.08601	2.7
167.14337	1.6
169.10173	11.2
171.11684	12.5
173.04451	2.4
173.09599	3.1
173.11723	14.2
173.13284	7.3
175.11208	4.3
177.12753	3.9
179.08476	2.5
181.10136	8.6
181.12265	3.8
183.11720	6.4
184.07339	5.6
185.13278	5.6
187.11308	2.7
189.11209	4.4
191.10558	1.9
193.12308	2.8
195.11719	16.1
195.13556	2.6
197.13298	2.7
199.11458	2.7
199.13353	6.0
201.12700	2.5
209.13365	3.2
213.12712	1.9
213.16463	1.9
215.12764	1.8
227.12653	8.7
227.18016	4.1
229.14362	31.8
237.16385	16.3
239.18053	2.5
241.14348	3.1
245.19043	2.1
253.14172	1.7
255.17838	16.0
257.19022	5.9
267.15939	6.4
269.17459	21.9
271.16919	1.9
273.18512	49.9
274.18948	1.9
275.20084	16.9
276.20334	2.1
283.15396	2.3
291.19635	7.4
293.21185	2.0
329.21201	9.1
346.63791	1.8
347.22168	30.4
349.23785	20.5
350.24161	2.2
367.24863	4.4
383.24408	12.9
399.23743	2.7
449.30664	1.9
455.26321	2.1
527.33893	9.2
541.35254	30.1
542.35040	2.3
553.33838	11.7
559.36182	2.5
603.40521	3.4
621.41455	17.7
639.42322	6.0
658.05969	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	854.526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	4.2
67.05508	76.0
69.03434	9.1
69.07072	29.5
69.22251	4.2
69.22672	7.4
71.05006	6.6
72.50883	1.3
77.88988	1.1
79.05498	57.1
81.03416	15.7
81.07061	89.8
83.04980	17.8
83.08629	10.0
85.02894	1.7
85.06545	5.9
91.05486	79.5
93.07044	58.7
95.04974	16.5
95.08614	36.7
95.09235	1.5
97.02901	3.2
97.06546	14.2
97.10175	5.0
99.04453	2.7
99.08092	4.0
101.06108	1.4
103.05500	2.5
105.04494	2.4
105.07036	65.7
107.04962	13.9
107.08596	47.0
107.55104	1.2
109.02843	2.1
109.06527	9.6
109.10164	46.9
111.04430	2.1
111.08100	5.0
113.06001	2.2
113.09649	1.4
115.05470	1.8
117.07036	16.1
119.04991	1.7
119.06108	1.2
119.08580	25.9
121.06522	9.5
121.10149	15.6
123.04384	1.7
123.08080	6.0
123.11717	9.4
125.09626	4.6
127.03966	2.4
127.07588	2.6
128.06250	3.2
129.06967	6.3
130.07767	2.0
131.08585	21.7
133.06517	6.3
133.10143	68.2
135.08069	11.0
135.11708	13.4
136.12025	1.2
137.09654	4.0
139.07532	1.7
141.07005	1.9
142.07813	1.8
143.08566	8.2
145.10129	16.2
147.08054	3.7
147.11693	9.6
148.41632	1.2
149.09628	17.9
149.13268	6.8
151.11195	32.4
155.08508	3.5
157.10141	5.2
159.08064	2.6
159.11713	10.3
161.09657	8.2
161.13290	6.1
163.11172	9.3
165.09073	1.6
169.10133	1.9
169.12250	6.3
171.11699	4.0
173.13303	4.6
175.11221	2.7
175.14793	1.7
177.09013	1.6
177.12769	5.3
179.10701	3.3
179.14302	4.5
181.12262	1.4
183.11629	1.4
184.00536	1.1
185.09589	1.6
185.13289	2.5
187.11234	1.3
187.14801	1.2
189.12761	3.4
193.12241	1.5
195.13857	3.8
197.11664	1.6
197.13319	2.1
207.13770	1.4
213.16451	1.5
215.12746	5.2
227.12802	1.9
227.17836	2.2
229.19418	2.0
235.17076	1.5
239.18127	2.0
245.19014	5.0
247.20615	2.5
251.12851	2.7
253.14362	100.0
254.14600	1.7
255.15685	5.7
257.19046	7.1
263.20062	4.7
269.17462	14.8
270.17776	1.6
271.15356	2.9
273.18533	24.0
275.20059	23.8
291.19540	22.9
292.19730	1.5
293.21225	2.3
309.20587	2.7
345.55627	1.2
347.22269	8.0
349.23776	15.7
365.23236	24.7
367.24905	3.2
441.91083	1.3
447.27390	4.6
451.26794	3.7
463.26785	2.0
465.28537	9.9
527.33655	4.1
541.35278	3.7
545.34778	16.4
559.36365	36.2
621.40967	1.6
639.42590	8.3
657.43604	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	854.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	5.1
67.05510	62.1
69.03141	1.2
69.03433	13.0
69.07071	36.9
71.04996	5.9
77.03923	1.7
79.05497	51.5
81.03422	13.1
81.07056	68.6
83.04976	9.6
83.08223	1.3
83.08627	14.8
85.02895	2.8
85.06536	5.2
91.05482	46.9
93.07048	51.3
95.04970	14.6
95.08062	2.1
95.08611	26.0
97.02891	10.7
97.06521	10.1
97.10175	13.8
98.06239	1.0
99.08088	1.7
102.48143	1.1
103.03964	1.3
103.05486	1.8
105.04516	1.3
105.07037	37.6
105.26313	1.1
107.04941	13.6
107.08601	31.5
107.15031	1.2
108.05818	1.1
109.06515	8.6
109.10159	17.5
111.04466	1.7
111.08093	5.5
113.05996	1.4
115.05445	2.6
117.07037	16.8
119.04965	1.7
119.08585	24.7
121.06502	7.5
121.10141	12.5
123.08072	6.1
123.11679	4.1
125.05994	1.2
125.09612	12.5
127.03857	1.5
128.06219	1.8
129.05417	1.6
129.06999	6.2
130.07811	1.5
131.08566	19.2
133.06482	5.0
133.10132	29.2
135.08054	6.2
135.11699	9.9
137.09628	3.5
141.07019	2.0
142.07774	1.7
143.08606	8.4
145.06474	2.5
145.10130	13.3
147.08072	6.8
147.11693	9.3
149.09621	9.4
149.13235	7.7
151.11176	5.3
153.09067	1.6
155.08511	2.6
157.10104	5.3
159.08104	1.8
159.11688	8.5
161.09624	3.5
161.13249	2.5
162.10463	1.7
163.11142	7.4
165.09100	2.4
165.12843	1.3
169.10095	2.7
169.12250	2.6
171.10266	1.5
171.11674	3.1
173.04416	2.1
173.09628	1.5
173.13277	4.7
175.11186	4.6
177.12700	3.9
181.12213	2.0
183.11729	1.7
185.13261	1.2
187.11227	1.7
189.11179	4.4
189.12735	1.4
195.13800	5.5
205.12230	2.4
223.13252	18.2
227.12764	6.5
229.19298	1.9
239.17940	2.0
245.18974	3.3
249.14870	4.7
253.14339	13.6
255.15616	5.8
257.19012	3.7
263.20096	1.4
264.19839	1.2
267.15851	1.6
269.17505	20.6
273.18509	18.9
275.20023	16.8
275.22763	1.6
291.19553	100.0
292.19922	2.9
293.21188	1.3
309.20633	1.4
347.22156	4.8
349.23730	10.6
365.23260	43.4
366.23471	1.7
367.24738	3.2
447.27319	1.5
461.29282	2.0
465.28497	2.5
527.33234	1.6
541.35333	3.3
545.34827	16.2
559.36316	65.7
560.36597	3.3
621.41766	1.4
639.42676	12.7
657.43524	2.2
831.74408	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	1.8
62.03562	1.0
65.03941	3.6
67.05509	51.5
69.03152	1.1
69.03436	12.6
69.07072	35.7
71.04975	4.2
77.03944	1.3
79.05498	49.3
81.03433	13.8
81.07061	52.0
83.04990	9.4
83.08622	14.4
85.02900	2.5
85.06543	2.2
91.05490	38.9
93.07049	43.2
95.01275	1.3
95.04972	10.4
95.08607	21.0
97.02885	9.1
97.06534	9.7
97.10180	14.8
98.20729	2.7
99.04424	1.9
103.05476	1.5
105.07033	29.5
107.04967	11.2
107.08601	28.0
109.06528	5.8
109.10159	13.9
111.04428	1.4
111.08087	3.6
115.05471	2.4
117.07024	13.8
119.04924	1.5
119.08583	21.0
121.06495	6.6
121.10155	11.5
123.08103	6.0
123.11684	2.5
125.09644	16.2
127.03913	3.7
128.06187	2.0
129.07010	5.5
131.08574	16.6
133.06470	3.0
133.10153	16.9
135.08063	8.9
135.11691	9.6
137.09601	2.6
141.07024	1.8
142.07738	1.6
143.08565	4.2
145.10143	13.8
145.28119	1.1
147.08022	5.3
147.11671	7.6
149.09630	11.1
149.13316	7.4
149.14330	1.8
151.11172	4.8
153.09102	1.6
155.08575	1.5
157.10109	4.4
159.07997	2.2
159.11729	9.4
161.09610	3.8
161.13303	2.0
163.11205	6.2
165.09116	1.5
169.10074	1.4
169.12271	1.3
171.10213	1.9
171.11725	3.9
173.09595	1.3
173.13243	3.4
175.11198	2.8
175.14735	1.3
177.12790	4.0
179.10725	2.4
181.12202	1.9
183.11676	2.6
185.13266	1.3
187.11197	1.5
187.13252	1.3
187.14912	1.4
189.11270	5.5
189.12718	1.3
193.19264	1.1
195.13803	5.3
197.13249	2.2
205.12288	3.6
213.14784	1.5
223.13278	16.7
227.12790	15.9
227.17688	2.5
239.17967	2.4
247.20459	1.6
249.14876	2.0
253.14337	6.3
255.15741	6.7
257.18988	5.4
267.15921	3.9
269.17474	15.3
273.18494	15.8
275.20084	18.4
291.19568	100.0
292.19894	2.6
293.21280	1.8
331.22702	1.4
347.22049	2.9
349.23749	19.9
365.23267	40.6
366.23312	1.9
367.24878	1.8
413.22223	1.5
461.28690	2.8
519.33258	1.6
535.33063	1.7
541.34998	3.7
545.34766	18.5
559.36334	49.5
560.36267	3.3
621.40967	1.8
624.20294	1.3
639.42603	20.8
640.42609	1.6
657.43439	3.1
703.40784	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	854.438
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55944	1.3
61.02931	16.7
64.59810	1.3
65.03938	4.0
66.13761	1.3
67.05506	87.8
68.49883	1.7
69.03429	9.4
69.07072	27.9
70.68995	3.0
70.69368	3.0
71.01349	2.2
71.05006	8.4
73.02924	7.7
79.05502	55.1
80.05870	1.6
81.03427	29.9
81.07059	95.3
82.04217	2.7
83.04984	19.5
83.08620	20.1
85.02901	22.0
85.06537	6.2
87.04500	1.6
91.03957	8.6
91.04510	1.3
91.05486	36.8
93.07046	65.4
95.04975	20.3
95.08612	28.5
96.04525	1.5
97.02890	15.4
97.06540	19.6
97.10170	13.6
98.07322	2.8
99.04436	2.7
99.08098	3.1
105.04560	1.8
105.07034	19.6
107.04963	12.7
107.08603	44.6
109.02868	4.7
109.06524	7.6
109.10173	21.1
111.04453	5.2
111.08086	9.9
115.05470	1.7
116.04704	5.0
117.07024	14.3
119.08571	15.1
121.06496	7.2
121.10139	20.8
123.04401	2.6
123.08067	4.3
123.11710	5.4
125.06028	2.1
125.09641	15.9
127.03922	6.7
127.07581	2.3
127.11202	1.5
129.05486	18.8
129.07016	6.0
131.08578	14.8
133.06552	1.8
133.10152	17.3
135.08073	6.0
135.11694	20.1
137.09648	3.9
143.07016	3.3
143.08574	2.9
143.10652	1.9
145.04950	4.8
145.06436	1.6
145.10101	9.2
147.08078	4.0
147.11684	7.0
149.09636	7.2
149.13266	27.8
153.09140	1.5
153.12746	5.1
155.10727	1.8
157.08601	6.5
157.10115	6.0
158.05879	1.5
159.08093	1.6
159.11705	12.7
163.06061	2.9
163.11172	15.6
165.12808	4.0
171.06604	2.4
171.10121	3.1
171.11644	1.8
173.04544	1.6
173.09596	3.5
173.11810	7.6
175.11183	3.4
177.12799	6.4
179.10632	1.5
180.24832	1.4
181.12241	3.4
189.11209	3.5
191.10675	6.1
193.12279	9.2
195.13831	18.6
199.13303	12.3
209.11749	10.4
211.13309	7.4
213.14810	2.5
223.13374	1.6
227.12828	13.4
229.14397	8.2
232.34718	1.4
255.15921	3.2
265.14377	3.1
267.15955	13.9
269.17490	70.1
270.17792	2.0
283.15414	19.3
284.15936	1.6
285.17001	5.2
301.16479	34.0
323.18445	3.8
351.21613	1.7
385.23718	1.7
393.26324	5.9
411.27551	12.8
413.21774	2.2
423.27390	39.2
424.28162	1.7
449.29227	2.9
459.27518	9.5
461.28928	5.7
477.28519	38.9
478.29169	5.7
495.29532	100.0
496.29724	3.5
513.30920	2.5
603.31921	1.8
621.32800	11.0
639.33807	11.2
855.40063	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	854.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	2.3
65.03941	4.7
67.05508	100.0
68.05835	1.3
69.03439	7.4
69.07076	11.7
70.06583	1.7
70.45550	2.0
71.01350	1.6
71.04997	9.4
73.02908	3.7
79.05498	24.0
81.03420	15.2
81.07062	36.4
82.03735	0.8
82.07381	1.1
83.01311	1.1
83.04994	8.1
83.08622	15.1
84.04533	1.3
84.57482	0.9
85.02917	10.6
85.06550	4.1
85.12925	0.8
86.09714	2.5
87.04475	35.3
90.83697	1.0
91.03948	1.1
91.05489	20.2
92.05831	1.3
93.07046	16.6
95.04969	8.8
95.08607	11.4
96.04506	1.0
97.02898	5.9
97.06534	5.9
97.10178	17.7
99.04456	11.5
99.08093	1.2
101.06012	1.0
103.03938	1.6
103.72983	0.9
105.07037	8.4
107.04945	3.8
107.08607	15.3
109.02836	1.1
109.06497	2.6
109.10160	84.7
110.10489	2.7
111.04445	3.5
111.08082	5.2
113.06032	1.8
115.03929	1.8
115.05459	1.4
116.04650	0.9
117.05444	1.0
117.07009	4.1
119.08595	14.2
121.06501	1.8
121.10144	6.8
123.08065	1.8
125.09638	19.5
127.03927	2.4
129.05478	2.5
129.06982	2.2
131.08617	5.6
133.10146	4.5
135.08061	3.0
135.11685	4.1
137.09639	6.2
143.08586	2.6
143.10683	2.1
145.06482	1.2
145.10136	5.8
147.08011	2.2
147.11664	2.3
149.09622	2.5
153.12704	2.4
155.08612	1.4
155.10669	10.4
157.08656	1.3
157.10078	1.4
159.11731	1.2
161.68472	1.0
163.11186	8.1
169.15425	1.0
173.04480	1.7
173.09543	1.5
173.10159	1.6
173.11746	30.8
174.12068	1.0
175.11153	1.6
181.12289	2.2
184.07312	2.6
189.11151	1.1
191.10680	2.1
193.12244	4.8
199.13303	10.1
209.11708	5.3
211.13297	1.4
217.14388	0.9
223.13242	1.4
227.12767	6.3
229.14362	67.3
230.14629	1.5
241.14366	1.6
243.15814	1.0
255.15860	1.2
257.13876	3.5
267.15912	5.4
269.17484	1.7
275.20203	1.3
283.15433	2.4
285.16873	1.0
301.16541	4.6
315.18027	3.7
326.25064	1.1
347.21829	1.0
349.23523	1.3
353.23190	1.6
371.24399	6.5
383.19498	1.7
383.24274	26.9
383.29181	1.6
399.23795	6.5
437.25330	1.0
455.26416	2.2
529.36096	1.0
541.33966	6.0
553.33807	21.9
554.33893	1.5
559.30963	1.6
808.97955	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06326	1.1
61.02924	1.5
65.03937	5.0
67.05510	100.0
69.03429	4.1
69.07072	15.8
71.01347	1.3
71.05003	9.1
71.51687	1.7
73.02897	2.1
77.46347	1.1
79.05072	2.1
79.05497	31.4
81.03429	14.0
81.07064	35.3
83.01374	1.3
83.04984	6.5
83.08225	1.3
83.08633	15.7
84.04511	1.5
85.02912	12.8
85.06527	4.7
86.09691	2.6
87.04472	30.4
91.05487	26.2
93.07052	16.7
95.04967	7.0
95.08614	16.4
97.02907	5.5
97.06532	4.6
97.10171	18.9
99.04457	9.1
99.08089	2.0
101.06049	1.3
103.03900	1.3
105.07037	15.5
106.07373	1.5
107.04961	5.5
107.08606	17.6
109.02856	1.2
109.06532	4.3
109.10163	72.8
110.10491	1.8
111.04433	2.7
111.08076	6.3
113.05986	2.2
115.03886	1.9
117.07051	8.6
119.08599	15.3
121.06488	2.3
121.10171	6.4
123.08092	3.3
123.11672	1.9
125.09639	17.7
127.03925	3.3
128.06235	3.2
129.05478	3.2
129.06990	4.9
131.08585	10.3
133.06438	2.0
133.10167	6.9
135.08073	1.9
135.11674	6.7
137.09604	4.6
141.07004	1.9
143.08539	9.4
143.10666	2.8
145.06482	1.9
145.10112	12.4
146.01120	1.3
147.08005	2.4
147.11713	2.4
149.09631	3.7
153.12775	1.5
155.08577	1.9
155.10690	9.7
157.08626	2.0
157.10103	5.0
159.11684	3.5
163.11220	7.7
169.10184	2.9
171.11659	2.8
173.09509	2.4
173.11768	24.5
173.13188	1.7
175.11185	2.6
181.10089	1.2
181.12209	2.4
184.07350	4.3
185.13235	1.5
189.11154	2.2
191.10728	2.8
193.12257	3.7
195.11659	1.7
199.13300	9.9
207.11552	1.3
209.11719	5.2
227.12758	5.9
229.14366	51.3
237.16499	1.8
255.15875	1.6
257.13806	2.7
267.15891	5.2
269.17477	3.7
273.18542	11.3
275.20102	4.8
283.15515	1.2
291.19525	1.7
301.16473	5.2
304.50250	1.3
315.18146	3.2
334.86899	1.2
347.22159	5.7
349.23688	3.0
353.23282	2.3
371.24118	5.1
383.24323	22.4
399.23746	5.4
436.57706	1.2
440.25992	1.4
455.26788	2.4
467.26382	1.3
541.34857	8.2
545.17023	1.2
553.33844	22.6
554.33844	1.8
621.41479	3.1
639.42078	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	10.3
65.03940	2.0
67.05505	28.8
69.03082	0.6
69.03432	8.3
69.07069	7.8
69.53374	2.8
71.01363	1.0
71.04991	7.5
73.02929	3.1
73.06538	0.5
77.03935	0.7
79.05493	34.8
80.43951	0.4
81.03418	100.0
81.07056	37.7
82.03747	1.0
83.04981	21.0
83.08619	36.8
84.08956	0.5
85.02905	44.6
85.06556	3.0
87.04475	1.0
91.03960	6.9
91.05481	44.4
92.05798	0.5
93.07044	23.0
95.04968	38.4
95.08607	13.5
96.04496	0.5
97.02888	9.6
97.06538	5.0
97.10165	6.6
98.20763	0.9
99.04455	1.5
99.08084	1.9
103.05483	0.8
105.04517	0.8
105.07033	35.1
107.04965	11.0
107.08600	9.7
109.02862	0.6
109.06528	7.1
109.10151	4.1
111.04449	4.5
111.08081	13.7
113.06024	3.9
115.03814	0.5
115.05476	2.5
117.07023	2.6
119.04906	1.0
119.08584	30.5
121.06508	3.2
121.10146	13.0
123.08069	4.3
123.11668	2.1
125.09618	2.9
127.03912	2.5
127.07504	0.9
128.06232	0.8
129.05556	0.5
129.07004	17.1
131.08569	18.7
133.06494	4.8
133.10136	17.6
133.10966	0.4
135.08069	0.5
137.09587	2.7
141.07001	0.6
142.07773	4.5
143.08600	0.7
145.04959	2.5
145.06529	0.4
145.10115	3.1
147.08063	5.2
147.11690	24.2
149.09619	9.2
151.11195	0.8
155.08588	0.9
157.10130	24.9
158.10458	0.5
163.06044	1.8
163.11211	1.5
165.12781	4.7
175.11186	24.2
183.13759	0.6
189.11125	0.5
193.12247	67.5
194.12608	0.7
199.11205	0.5
211.13292	91.1
212.13620	1.6
227.12746	0.8
228.63150	0.5
229.14438	0.8
233.15440	0.6
233.39487	0.5
249.14857	1.9
267.15918	47.5
268.16241	0.9
273.14917	0.9
285.16965	85.3
286.17276	1.7
349.21558	1.0
357.24030	0.6
367.22726	3.8
385.23642	5.6
403.24811	1.5
429.21658	0.7
433.25751	2.7
441.26422	1.8
459.27435	33.0
460.27774	1.0
477.28497	37.1
478.28702	1.8
495.29541	91.7
496.29947	4.2
621.32452	1.1
639.34094	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	854.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	16.2
65.03933	3.4
67.05511	100.0
68.05816	1.5
69.03414	5.0
69.07075	18.7
70.03705	6.3
71.01341	2.7
71.04994	8.5
73.02936	7.8
77.03960	1.4
79.05497	40.7
79.09789	1.1
81.03427	17.4
81.07063	67.7
83.04988	8.9
83.08623	18.8
85.02911	33.8
85.06557	6.1
87.04456	3.7
88.46402	1.4
91.03970	11.7
91.05489	32.0
93.06479	2.4
93.07053	39.9
93.07641	2.1
95.04977	8.0
95.08607	23.0
96.04514	1.4
97.02908	12.9
97.06528	12.1
97.10180	14.7
98.20889	1.9
98.21394	1.8
99.04465	2.6
99.08121	1.1
103.03962	2.4
105.04527	1.6
105.07040	12.2
107.04940	6.2
107.08602	29.8
109.06499	3.8
109.10168	57.8
111.04435	3.4
111.08086	7.8
115.03912	1.9
115.05406	1.5
117.07044	7.2
119.08580	11.3
121.06527	3.2
121.10150	12.2
123.04424	1.5
123.08110	3.3
123.11697	3.9
125.09643	13.0
127.03916	5.2
129.05479	5.8
129.06975	1.8
131.08594	9.3
133.10150	12.5
135.11713	9.5
137.09619	3.4
143.08548	1.7
143.10661	2.3
145.04947	5.5
145.10159	5.8
147.08081	1.9
147.11684	6.4
149.09595	2.9
149.13289	13.4
151.11203	2.8
153.12729	3.3
155.10657	6.0
157.10150	4.3
159.11719	6.4
163.06023	5.7
163.11223	9.2
165.12727	3.6
173.09625	1.8
173.10329	1.2
173.11745	11.1
175.11177	2.5
177.12752	3.5
181.12242	3.2
183.11836	1.1
189.11259	1.5
191.10634	2.9
193.12251	8.2
195.13835	13.4
199.13332	7.3
209.11697	8.6
211.13287	5.2
219.56090	1.3
227.12746	11.5
229.14374	55.6
239.16411	5.1
251.16563	1.5
257.13876	2.1
265.14426	1.4
267.15952	13.4
269.17493	50.3
275.20184	1.5
283.15411	8.0
285.16989	1.6
297.16876	1.7
301.16498	17.2
313.16718	1.4
323.18521	1.8
357.24197	2.6
393.26282	2.7
411.27377	4.7
423.27478	42.8
431.28046	3.8
449.28958	1.9
455.26346	1.5
477.28448	4.2
495.29581	85.6
496.29636	4.9
513.30603	28.9
741.07495	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5314
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	6.5
65.03932	1.2
67.05511	28.8
69.03432	1.3
69.07073	11.0
71.01355	2.6
71.04982	2.5
71.08642	13.3
73.02916	1.8
79.05498	22.7
81.03412	3.5
81.07061	17.7
83.04987	4.7
83.08627	8.7
85.02914	7.3
85.06545	1.4
85.10188	8.1
86.09702	2.1
91.03957	4.4
91.05475	8.4
93.07047	27.4
95.04958	2.8
95.08614	14.2
97.02882	3.5
97.06529	6.6
97.10180	8.6
99.04449	2.1
99.08101	2.0
105.07036	2.8
107.08598	18.5
109.10177	9.1
111.08115	1.8
111.11729	1.1
117.07074	2.8
119.08582	3.4
121.06537	1.2
121.09327	0.9
121.10128	4.8
123.11729	1.6
124.99991	1.6
125.09665	1.0
127.03927	1.4
127.80845	0.9
131.08626	1.2
133.10136	2.9
135.11699	30.5
145.05016	1.2
145.10144	7.7
163.05986	1.9
163.11221	5.4
181.12231	6.5
184.07391	4.7
206.08398	1.2
220.20657	1.0
229.14366	2.1
255.15933	100.0
256.16290	3.5
257.24771	1.8
313.27399	41.5
314.27625	1.7
335.25677	1.6
339.28781	1.2
493.38934	79.8
494.39224	3.6
609.44379	1.6
623.43170	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02658	0.6
61.02930	9.6
65.03922	1.5
67.05508	63.9
69.03416	1.7
69.07072	18.3
69.34877	2.2
69.35305	2.4
71.05012	3.8
71.08638	3.1
73.02914	2.8
79.05505	5.1
81.03409	1.1
81.07059	18.7
83.04996	0.6
83.08160	1.1
83.08624	16.1
85.02908	11.0
85.06567	3.1
85.10172	1.6
86.09699	0.8
91.03954	6.6
91.05478	5.9
93.07048	6.7
95.08615	16.6
97.02906	5.2
97.06535	1.5
97.10177	8.0
99.04492	0.5
99.08057	0.5
105.07017	1.0
107.08597	3.9
109.10162	62.2
110.10493	0.6
111.08084	3.3
111.11720	2.0
119.08567	4.2
121.10168	4.9
123.11713	1.6
125.09624	1.2
127.03916	2.5
135.11691	3.5
137.09596	2.7
139.11182	0.8
145.04961	2.3
145.10075	0.6
149.13252	1.9
151.14796	0.7
155.10684	5.0
163.05997	3.6
173.11742	15.8
174.12003	0.6
177.33379	0.6
180.11505	0.5
184.07269	2.5
185.07959	0.5
229.14362	100.0
230.14723	1.6
265.25223	1.8
339.28952	68.2
340.29303	1.9
442.38498	0.6
467.47519	0.6
493.38913	65.0
494.39151	2.7
511.40039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88204	0.4
65.03938	1.4
67.05508	21.1
69.03080	0.6
69.03434	8.4
69.07072	21.7
70.75735	0.6
70.76061	0.5
71.04980	1.4
79.05494	18.3
81.03428	4.7
81.06586	0.8
81.07059	14.8
83.04976	2.5
83.08625	6.7
85.02895	0.7
91.05482	14.1
93.06487	0.8
93.07052	14.3
94.04188	0.7
95.01324	0.7
95.04982	6.3
95.08047	0.7
95.08611	7.3
95.31232	0.4
97.02894	7.4
97.06525	2.8
97.10169	8.9
103.05488	0.5
105.07037	11.2
107.04966	6.4
107.08596	8.9
109.02887	0.9
109.06523	2.3
109.10165	5.4
111.04432	1.0
111.08057	1.3
115.05472	0.8
116.06203	0.5
117.07021	6.3
119.04933	1.8
119.08583	9.9
120.05739	0.8
121.06509	3.3
121.10143	3.3
123.08080	2.8
123.11693	0.8
125.09628	7.9
125.26804	0.3
128.06213	1.1
129.07016	2.1
130.07811	0.6
131.08575	6.5
133.06485	2.7
133.10115	3.4
134.07253	1.3
135.08057	2.9
135.11708	1.5
137.09622	2.1
142.07820	0.6
143.08582	2.9
145.06453	0.7
145.10130	4.8
147.08041	5.7
147.11700	2.3
149.09604	1.6
149.13261	1.4
151.11130	0.6
153.09128	0.8
155.08556	0.7
157.06462	0.4
157.10152	2.4
159.11720	2.0
161.09650	2.2
161.13278	0.5
162.10403	1.1
163.11208	1.6
165.09106	1.2
169.10086	0.8
169.12292	0.7
171.08185	0.5
171.10179	1.1
171.11702	1.0
173.09673	0.6
175.11182	2.6
177.12724	1.4
179.10698	0.5
184.07388	0.5
185.13315	0.7
187.11154	0.4
189.11249	3.2
189.12758	0.6
193.12241	0.8
195.13768	1.3
205.12245	1.4
211.13239	0.6
213.14906	0.4
217.15919	0.5
221.11800	0.5
223.13300	16.0
227.12798	5.2
227.55748	0.4
231.13968	0.4
237.16273	0.6
245.19005	1.3
247.16927	0.4
249.14920	3.7
255.17433	1.3
261.14825	0.6
263.20035	0.9
267.16006	0.9
273.15457	0.6
273.18497	14.9
291.19553	100.0
292.19833	3.2
309.20380	0.6
347.22186	2.8
365.23242	46.3
366.23526	1.3
475.29883	0.4
535.32843	0.8
557.34576	1.3
559.36322	0.4
575.35767	1.4
587.35602	0.6
637.40851	2.4
655.42072	41.9
656.42291	2.6
675.92462	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.50857	1.1
62.47632	0.9
65.03931	3.4
67.05510	55.4
69.03419	5.4
69.07076	12.5
70.40707	1.0
71.01369	1.0
71.04981	4.2
73.02908	1.1
75.46688	1.0
76.56434	0.9
79.05502	37.8
79.05967	2.0
81.03428	8.2
81.07061	54.3
83.04992	12.4
83.08600	3.7
85.02848	1.0
85.06534	4.9
85.60614	0.9
86.09704	1.2
91.05490	57.0
93.07053	40.0
95.04974	10.5
95.08616	20.3
97.06535	5.4
97.10177	1.3
99.04433	2.6
101.05990	1.2
103.05430	1.5
105.04553	1.0
105.07038	46.0
107.04951	11.1
107.07877	1.7
107.08599	32.1
109.06532	8.2
109.10165	46.3
109.10926	2.2
110.10400	0.9
111.04443	2.5
111.08057	3.4
113.06010	2.0
115.05438	1.4
117.07031	9.1
119.08586	13.3
121.06527	10.9
121.10119	5.8
123.04399	1.2
123.08049	5.1
123.11726	8.3
125.00021	1.1
125.09630	1.7
127.07542	2.3
128.06197	2.9
129.07016	4.6
131.08578	14.1
133.06548	4.7
133.10139	64.5
135.08080	8.2
135.11708	4.5
137.09618	3.0
142.07733	1.3
143.08578	6.0
145.06461	1.6
145.10121	7.0
146.07182	1.1
147.08066	4.0
147.11717	4.8
149.09610	7.1
151.11186	33.6
155.08665	0.8
157.10129	3.4
159.08061	2.9
159.11713	2.9
161.09604	6.0
161.13277	2.1
163.07529	1.5
163.11201	1.9
169.12206	5.6
171.00821	1.2
171.11658	3.8
173.09628	1.5
173.13268	1.7
175.11194	3.5
177.09166	2.4
179.10677	2.1
184.07352	2.5
185.09578	1.2
185.13263	2.1
189.12703	1.4
194.89153	1.0
195.13641	1.5
215.12756	3.2
227.18007	1.6
229.14522	1.2
229.63274	1.3
245.18993	2.6
251.12755	1.3
253.14377	100.0
254.14706	2.1
255.17453	3.6
263.20020	3.7
271.15396	3.0
273.18546	29.0
291.19559	20.8
309.20734	1.2
347.22162	8.3
365.23239	26.6
421.25604	2.0
431.24298	1.6
445.66351	1.0
447.23267	1.4
449.25381	11.8
543.33405	5.2
561.34418	6.3
578.54010	1.0
637.40857	2.8
655.42035	13.9
656.41876	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52274	0.9
65.03938	3.7
67.05507	54.6
69.03442	5.5
69.07076	15.2
70.68394	0.9
70.68726	2.2
71.04989	4.6
77.03929	1.3
79.05497	41.9
81.03425	8.3
81.07059	67.9
83.04985	13.2
83.08609	5.8
84.08144	8.3
85.06545	5.7
86.53056	0.9
89.80608	0.9
91.05484	66.3
93.07047	39.0
95.04966	12.6
95.08612	19.9
97.02887	1.4
97.06544	6.7
97.10152	1.5
99.04451	1.8
103.05452	2.5
105.04536	1.0
105.07034	58.1
106.07410	1.2
107.04973	10.9
107.08602	35.4
108.08891	1.0
109.06529	9.0
109.10162	45.8
111.04450	1.4
111.08090	3.6
113.06013	2.4
115.05467	2.1
116.06178	0.9
117.07007	8.7
119.04990	1.1
119.06091	0.9
119.08585	16.0
121.06522	13.9
121.10143	8.3
123.04453	2.3
123.08074	6.2
123.11717	6.6
124.52306	0.9
125.06008	1.7
125.09633	2.5
127.07550	2.3
128.06213	2.6
129.07007	6.1
130.08655	11.0
131.04881	1.1
131.08559	16.3
132.05643	1.0
133.06497	7.1
133.10136	67.3
134.10410	1.1
135.08063	11.1
135.11725	5.3
137.09615	3.5
139.07590	0.8
141.07034	1.2
142.07813	1.4
143.08571	6.2
145.06438	1.3
145.10158	10.0
147.08080	4.7
147.11691	5.3
149.09605	8.5
149.13261	1.5
151.11188	39.6
153.09126	0.9
155.08548	2.1
157.10081	4.2
159.08081	3.3
159.11711	4.7
161.09622	10.4
161.13245	3.9
163.07616	2.1
163.11215	3.3
165.12706	1.1
169.10130	1.8
169.10922	1.0
169.12204	7.9
171.08044	0.9
171.11716	4.7
173.09656	1.8
173.13289	1.2
175.11128	5.5
177.09137	3.1
177.12727	1.4
179.10699	4.0
181.10089	1.4
181.12297	1.3
183.11700	1.0
184.07361	3.1
185.09561	1.2
185.13301	3.5
187.11191	1.2
189.12779	3.3
191.20171	0.9
193.12244	1.5
197.11722	1.6
199.11139	1.6
199.14941	1.6
207.14076	1.0
209.11688	1.4
213.12689	1.3
215.12793	6.2
227.17978	3.0
237.16327	2.1
245.19113	6.2
251.12761	2.7
253.14362	100.0
254.14734	2.5
255.17514	3.8
263.19995	4.9
271.15359	5.7
273.18506	44.8
291.19562	36.5
292.20093	1.2
309.20636	2.7
329.21335	2.6
347.22186	12.9
365.23233	29.4
421.25748	1.4
447.23581	1.5
449.25284	15.2
525.32062	1.2
543.33228	8.2
561.34204	10.7
591.01257	1.1
637.41058	6.8
655.42065	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	852.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02896	0.7
65.03936	2.5
67.05506	53.0
69.03436	9.3
69.07069	26.9
69.22666	7.6
71.05006	4.5
77.03902	1.3
79.05496	36.7
81.03419	7.9
81.07056	47.9
83.04982	8.8
83.08615	8.5
83.83257	0.7
85.02890	1.1
85.06530	4.1
86.09730	0.9
91.05483	49.5
93.07045	34.6
93.07639	1.6
94.04202	1.1
95.04968	10.5
95.08611	18.2
97.02885	6.3
97.06533	6.2
97.10162	7.5
98.20793	1.8
99.08112	0.9
103.05437	1.6
105.04516	1.2
105.07032	37.0
106.72009	0.7
107.04965	12.8
107.08597	28.7
109.06529	6.3
109.10162	34.7
111.04395	1.5
111.08064	2.8
113.06010	1.9
115.05449	1.9
117.07020	9.0
119.04926	2.0
119.08585	17.3
120.05745	1.1
121.06503	9.1
121.10156	7.5
123.04452	1.4
123.08062	5.7
123.11710	7.5
125.09628	7.0
127.07560	2.1
128.06203	2.3
129.07005	5.1
131.08565	12.9
133.06480	5.9
133.10133	43.5
135.08054	7.7
135.11664	4.9
137.05951	1.0
137.09592	2.6
141.07043	1.2
143.08583	5.9
145.06453	1.8
145.10138	8.2
147.08052	7.3
147.11681	3.5
149.09622	5.8
149.13246	1.6
151.11186	20.8
153.08926	0.9
155.08571	1.3
157.10132	3.2
159.08015	1.5
159.11691	4.1
161.09622	6.8
161.13260	2.6
162.10446	1.1
163.07451	0.9
163.11163	2.9
165.09117	2.4
165.12671	1.0
169.10081	1.5
169.12251	3.6
171.11676	2.7
173.13274	1.4
175.11217	5.1
177.09154	1.0
177.12793	2.1
179.10686	2.6
184.07423	1.9
185.09627	1.2
185.13219	1.6
187.11179	1.0
189.11203	2.9
189.12729	1.5
195.10129	0.8
195.11855	0.7
195.13707	1.7
199.11163	1.4
205.12251	2.8
213.16408	1.1
215.12808	2.2
223.13281	13.1
227.12784	2.9
227.17989	1.6
237.16255	1.3
245.18982	3.7
249.14864	3.0
251.12755	2.6
253.14362	98.2
254.14671	2.4
255.17522	2.0
263.19861	3.6
271.15408	0.9
273.18515	36.0
291.19547	100.0
292.19940	2.7
309.20795	1.6
347.22131	9.2
365.23245	43.1
382.37985	0.9
423.23724	1.8
469.61731	0.9
543.33014	5.0
559.32770	1.2
561.34229	14.3
562.34467	1.0
575.36285	1.4
637.40747	8.9
638.41449	0.8
655.31238	1.4
655.42029	26.9
656.42328	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	852.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	6.7
65.03957	0.7
67.05508	14.4
69.03424	3.4
69.07065	3.9
69.24786	0.5
70.06591	0.7
71.01340	0.6
71.04992	4.1
71.11881	0.9
73.02911	2.0
79.05496	18.4
81.03420	37.4
81.07057	18.3
83.01353	3.6
83.04981	12.5
83.08148	0.9
83.08622	15.0
85.02907	20.3
85.06545	0.9
86.09705	0.6
91.03960	4.8
91.05480	18.2
93.07045	18.5
95.04972	14.7
95.08614	7.0
97.02888	6.4
97.06527	4.3
97.10172	2.7
99.04455	1.2
99.08118	0.8
100.64922	0.5
102.27248	0.4
105.07036	14.2
107.04963	6.4
107.08594	8.7
109.02882	1.0
109.06528	5.4
109.10147	2.5
111.04458	2.2
111.08080	5.0
113.06015	1.5
115.05457	1.4
117.07019	4.5
119.08578	12.1
121.06515	2.9
121.10136	8.1
121.10934	0.7
123.04440	0.8
123.08083	4.5
123.11678	0.7
125.05986	0.9
125.09636	1.8
127.03909	1.7
129.05551	0.5
129.07008	5.5
130.07755	0.8
130.32875	0.5
131.08556	7.3
133.06493	1.9
133.10127	6.5
133.11081	0.6
135.08022	1.2
135.11720	5.2
136.69048	0.4
137.09636	1.4
142.07788	1.5
143.08556	0.6
145.04951	1.8
145.10114	8.5
147.08058	2.6
147.11679	6.6
149.09621	3.3
151.11174	0.7
153.01765	0.5
153.12787	1.4
155.08586	1.2
156.60135	0.4
157.10139	6.3
163.06102	1.4
163.11185	11.0
165.12766	1.9
173.09666	1.6
175.11186	6.4
181.12236	1.6
184.07352	0.5
191.10706	1.2
193.10429	0.8
193.12251	21.2
209.11711	3.2
211.13297	29.9
212.13765	0.5
227.12802	2.9
228.54575	0.4
249.14813	0.9
267.13248	0.3
267.15906	8.0
283.15402	39.5
284.15811	1.3
285.16968	27.5
286.17416	0.5
383.22324	2.4
401.23438	1.0
457.25909	3.9
475.26895	15.7
476.27420	1.1
493.27972	100.0
494.28137	4.9
637.32098	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55974	0.7
61.02930	4.9
65.03933	1.1
67.05507	16.5
67.73706	0.8
69.03426	3.2
69.07073	5.8
70.06594	0.9
70.73085	2.3
71.05009	3.7
73.02912	2.4
79.05497	21.2
81.03420	34.2
81.07062	19.8
83.01347	1.0
83.04984	8.5
83.08624	14.7
84.08150	0.8
85.02908	15.0
85.06536	1.2
86.09708	1.3
87.90247	0.6
91.03954	3.0
91.05484	17.5
93.07046	24.1
95.04966	15.6
95.08614	19.9
95.09238	0.9
97.02893	6.8
97.06518	3.8
97.10168	2.7
99.04457	2.2
105.07034	14.0
107.04967	7.1
107.08598	17.5
109.02888	1.5
109.06507	3.2
109.10147	3.4
111.04465	2.9
111.08093	5.5
113.06019	1.8
115.05457	1.2
117.07023	5.7
119.08579	13.7
121.06493	3.5
121.10143	11.1
123.04405	1.1
123.08092	1.9
123.11810	1.0
125.06007	2.2
125.09632	1.4
127.03927	1.1
129.07001	5.9
130.07805	0.8
131.08588	5.1
133.06535	1.5
133.10147	7.0
135.08049	1.9
135.11699	25.5
137.09598	1.0
139.07571	0.9
142.07767	1.4
145.04846	0.7
145.10135	15.2
147.08028	1.7
147.11691	7.3
149.09595	4.0
153.01845	1.5
153.12796	1.7
157.10100	6.8
159.11731	0.8
163.05968	1.4
163.11183	34.8
165.12836	2.1
173.09708	1.0
173.11751	0.8
173.78358	0.7
175.11182	8.2
181.12267	7.1
184.07359	1.7
191.10760	1.2
193.12253	20.7
200.18048	0.7
209.11783	3.0
211.13290	24.5
212.13557	0.8
227.12785	36.1
231.13940	0.8
247.13344	1.5
249.14938	0.9
267.15912	30.5
268.16071	1.2
283.15408	45.9
284.15744	0.8
285.16977	35.0
286.17303	1.0
300.19873	0.6
301.16479	2.9
307.15753	0.7
314.48318	0.7
321.17233	0.7
384.32071	0.8
457.26074	1.1
475.26959	31.5
476.27405	2.3
493.27985	100.0
494.28241	6.2
556.52045	0.8
637.31915	2.1
761.28156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	5.5
65.03930	6.7
67.05508	86.2
69.03434	38.7
69.07065	22.8
70.06595	3.1
71.01344	3.9
71.04992	11.7
73.02904	5.6
79.05493	67.9
81.03422	100.0
81.07059	84.4
83.04987	28.3
83.08626	26.2
85.02905	26.8
85.06542	4.8
86.09750	2.8
88.07626	4.1
91.05483	81.1
93.06487	4.2
93.07049	64.6
95.04974	34.7
95.08606	45.8
97.02891	40.1
97.06528	10.3
97.10177	12.4
99.04451	12.5
99.08083	4.2
103.03894	2.9
103.05508	2.8
105.04551	5.1
105.07034	51.9
107.04987	12.5
107.08595	37.1
109.02895	23.3
109.06538	17.1
109.10155	31.3
111.04439	7.7
111.08077	7.3
113.05980	4.6
115.05441	7.0
117.07021	20.7
119.08589	35.2
121.06501	9.3
121.10140	24.6
123.04432	5.7
123.08068	9.8
123.11718	6.3
125.09610	9.5
127.03909	25.0
128.06238	6.0
129.05470	8.9
129.07010	19.4
130.07797	4.2
131.04874	4.8
131.08565	34.1
133.06476	6.9
133.10162	20.4
135.08035	7.9
135.11713	12.4
137.09604	5.8
141.07053	6.1
143.08586	21.1
145.04961	3.0
145.06514	4.4
145.10133	32.0
147.08051	9.6
147.11682	26.4
149.02313	11.2
149.09596	7.6
149.13220	5.9
151.11201	3.7
153.12738	2.7
155.08577	8.9
155.10699	2.8
157.10133	21.3
159.08012	5.4
159.11655	12.4
161.09593	5.2
161.13252	5.3
163.11160	7.7
165.12784	8.4
167.08614	4.2
169.10130	8.3
171.11653	11.4
173.04437	19.4
173.09647	4.2
173.11768	6.5
173.13188	4.8
175.11188	10.9
177.12726	5.8
181.10150	6.1
181.12155	3.0
183.06535	3.7
183.11678	4.1
184.07358	3.6
185.13226	8.0
189.11244	3.4
191.10701	3.9
193.04948	4.8
193.12259	29.3
195.11716	7.0
195.13464	2.4
196.41841	2.5
197.13219	3.7
199.11032	2.6
199.14867	4.9
201.12769	2.9
211.13287	49.5
227.12746	6.4
229.14354	15.4
237.16367	4.5
249.14703	4.0
253.06934	2.8
255.17355	5.5
256.26398	3.2
261.22183	3.0
267.15985	14.9
271.16818	3.2
273.18521	18.1
275.20004	5.8
285.17032	12.5
289.17981	4.6
291.19626	14.8
301.14133	3.8
335.25867	32.0
337.16620	4.3
347.22116	6.0
348.07739	3.1
355.17438	6.1
399.23627	3.2
411.20273	6.1
471.76306	2.7
501.32062	5.7
517.38849	3.7
527.37463	24.1
542.12610	2.9
545.38440	21.3
635.37567	3.5
653.40350	3.9
671.41406	7.5
689.42206	17.5
754.53168	3.1
851.39209	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	851.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	7.3
61.52211	2.3
65.03934	6.4
66.17722	2.7
67.05512	100.0
69.03433	36.0
69.07079	25.7
70.06598	3.1
71.01373	2.8
71.04992	11.8
71.16136	5.1
73.02921	5.0
79.05499	75.7
81.03426	96.7
81.07059	79.8
83.04996	24.8
83.08631	23.2
85.02918	29.6
85.06553	5.1
86.09731	2.5
87.04492	4.1
88.07621	2.9
91.05491	82.6
93.07050	68.5
95.04978	35.9
95.08614	43.4
97.02898	35.9
97.06551	8.6
97.10177	15.4
99.04471	14.1
103.05445	3.4
105.07038	51.3
107.04980	15.8
107.08611	33.6
109.02882	24.3
109.06528	16.6
109.10172	40.3
111.04445	14.1
111.08073	12.2
113.06002	6.1
115.05483	7.6
116.06243	3.7
117.07016	27.1
118.21240	2.8
119.08593	44.2
121.06535	7.1
121.10162	20.7
123.04468	4.4
123.08063	8.5
123.11705	6.7
125.09644	10.1
127.03922	31.4
128.06224	12.1
129.05510	6.2
129.07013	17.7
130.07713	3.2
131.08577	44.5
133.06523	10.9
133.10126	22.0
135.08064	8.0
135.11707	11.8
137.09656	5.6
139.11208	4.1
141.07002	5.2
142.07811	5.6
143.08575	32.3
145.06458	4.1
145.10138	44.4
147.08061	8.2
147.11708	21.2
149.02359	9.7
149.09644	9.0
149.13274	7.8
151.11145	4.5
153.12854	3.8
155.08601	5.8
155.10707	3.6
157.08861	3.5
157.10117	21.0
159.08081	5.9
159.11743	11.8
161.09689	8.7
161.13335	6.2
163.11243	9.0
165.12779	7.9
169.10152	9.4
170.03708	2.6
171.11742	9.1
173.04501	16.1
173.09642	5.5
173.11781	6.9
173.13277	8.5
175.11150	15.1
177.12682	3.3
181.10175	5.7
181.12390	2.9
183.11726	9.3
184.07338	4.0
185.13284	10.0
189.11246	3.9
191.10730	3.1
193.04965	4.4
193.12244	34.8
195.11728	4.3
197.13229	7.4
199.14912	4.7
201.12692	2.7
211.13275	46.8
227.12688	4.5
228.15620	3.0
229.14436	24.4
237.16422	8.7
255.17426	7.5
256.26495	5.4
257.26645	2.9
261.22214	4.6
267.15829	13.5
271.16879	4.6
273.18488	27.5
275.20288	5.3
281.85458	3.1
285.16849	13.1
289.17941	6.6
291.16705	3.6
291.19583	21.3
301.14392	2.9
319.15625	3.0
335.25848	28.0
336.26205	3.9
337.16394	4.0
347.22333	9.9
349.23407	2.5
355.17618	6.8
357.11795	2.7
365.23367	6.2
393.19086	3.2
399.23856	11.1
411.20065	6.4
501.32062	8.2
519.33374	4.7
527.37360	18.0
545.38293	15.5
653.40674	5.2
671.41406	10.1
689.42847	15.6
851.40314	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	846.5492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07397	0.2
60.08168	6.7
66.02272	0.1
67.05510	0.4
69.03423	0.1
69.07108	0.1
70.06588	0.2
71.07378	4.2
71.51949	0.1
72.16641	0.1
79.05485	0.3
81.07068	0.2
86.09711	31.8
87.10043	0.2
91.05491	0.3
93.07041	0.2
95.08637	0.1
98.98476	4.0
98.99134	0.2
104.10751	4.0
105.07052	0.2
108.17628	0.1
125.00013	21.6
131.08539	0.1
133.10112	0.1
140.84209	0.1
143.01097	0.2
184.07350	100.0
185.07701	0.8
289.71271	0.1
534.31781	0.2
646.37183	0.7
728.44537	0.4
746.45770	1.3
810.52014	0.3
828.54242	0.8
846.55029	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	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	3.5
61.02930	12.3
65.03928	2.9
67.05506	100.0
68.05850	0.6
69.03426	3.3
69.07071	7.9
71.05002	4.2
73.02927	3.2
79.05499	23.3
81.03427	2.1
81.07059	40.3
83.04963	1.0
83.08621	8.9
85.02907	12.0
85.06551	2.6
86.09706	2.5
87.04440	0.5
87.09168	0.6
87.10055	0.7
89.98031	0.5
91.03960	7.4
91.05478	15.5
93.07048	28.4
95.04974	2.3
95.08609	27.7
97.02899	8.3
97.06543	1.6
97.10152	2.7
97.42972	0.6
99.04479	1.2
99.08112	1.2
105.04527	0.6
105.07031	8.4
105.07697	0.8
107.08591	16.9
109.02906	0.6
109.06554	1.1
109.10159	79.2
110.10481	1.1
111.08092	3.2
114.29463	0.5
115.03992	0.8
117.07022	4.3
119.06114	0.6
119.08581	11.2
119.09373	0.9
121.10145	12.6
123.08088	0.8
123.11696	4.2
125.00037	1.6
125.09637	1.9
127.03920	3.3
131.08577	7.2
133.10138	6.4
135.11697	8.6
137.09601	4.1
137.13297	0.9
145.04959	3.6
145.10133	5.7
147.11681	4.5
149.09563	0.5
149.13251	5.7
155.10655	6.7
159.11732	4.4
161.13268	3.3
163.05994	2.7
163.11211	0.7
163.14867	2.2
171.11678	0.6
173.11761	19.2
173.13266	3.6
175.14792	1.6
177.16399	1.1
178.89719	0.5
180.08739	0.6
184.07335	7.6
185.07681	1.0
187.14832	2.2
189.11269	0.8
201.16408	0.8
213.14928	0.7
227.12778	5.5
229.14354	88.6
230.14679	2.0
243.21048	6.1
259.20654	0.7
261.22150	21.5
262.22681	0.7
282.72028	0.5
299.23785	0.7
317.24820	3.9
327.09320	0.6
335.25803	74.3
336.26227	2.9
357.68140	0.6
379.29929	1.0
397.31238	2.4
415.32016	1.5
433.33224	0.6
471.34467	2.0
489.35770	70.6
490.35870	3.7
507.36816	5.0
602.49896	0.6
633.39374	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.3
61.02649	0.7
61.02932	9.4
61.18799	0.5
64.57877	0.5
65.03947	1.8
67.05506	86.4
68.05817	0.9
69.03435	2.1
69.07076	6.4
71.05000	2.8
73.02937	3.2
75.04520	0.5
79.05495	17.1
81.03421	1.4
81.07058	32.1
83.04987	0.6
83.08625	9.3
85.02906	12.3
85.06544	2.9
86.09747	0.6
87.04506	0.7
91.03954	6.8
91.05482	11.5
91.33838	0.6
93.07047	21.8
93.07639	1.0
95.04982	1.5
95.08606	22.6
97.02892	5.7
97.06540	1.4
97.10169	2.1
99.04463	0.8
99.08091	1.2
105.07026	6.5
107.08592	13.6
107.09306	0.9
108.76418	0.5
109.06524	1.5
109.10158	72.5
110.10449	0.7
111.08112	2.8
113.09634	0.6
115.03892	0.8
117.07018	2.6
119.08585	9.6
121.10150	10.0
123.11706	3.2
124.59811	0.5
125.09663	1.7
127.03951	2.7
131.08591	5.4
133.10167	4.4
135.11693	6.9
137.09631	3.1
137.13237	1.1
145.04964	3.8
145.10097	3.1
147.11700	2.7
149.13290	4.2
155.10658	7.0
157.10106	0.7
159.11687	3.5
161.13306	2.8
163.06038	5.2
163.14819	2.4
171.11684	0.9
173.11772	17.3
173.13278	3.1
175.14874	0.8
177.16443	1.1
184.07339	3.3
187.14890	1.9
189.11214	0.7
189.16225	0.9
205.15887	0.8
227.12790	6.9
229.14357	100.0
230.14636	2.0
233.22614	0.7
243.21115	6.3
261.22116	19.0
262.22437	0.8
277.21347	0.7
293.21478	0.6
298.11105	0.6
317.24695	3.8
320.25540	0.6
335.25803	68.2
336.26089	1.6
379.30157	0.8
397.30978	1.5
415.31808	1.9
433.33362	0.7
464.04333	0.6
471.34717	1.7
489.35754	49.1
490.35822	2.5
507.36954	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	846.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07374	0.2
60.08165	5.8
61.02911	0.3
67.05506	0.7
69.03426	0.3
69.07059	0.2
70.06590	0.2
70.19289	0.1
71.07375	3.4
71.51228	0.3
73.02902	0.2
79.05488	0.6
81.03423	0.2
81.07043	0.9
83.05031	0.2
83.08624	0.2
85.02874	0.4
86.09708	28.3
87.10048	0.3
90.55180	0.1
91.03910	0.2
91.05486	0.8
92.03302	0.1
93.07035	0.7
95.04959	0.2
95.08611	0.8
97.02875	0.4
98.97865	0.3
98.98470	4.0
104.10749	3.8
105.07033	0.5
107.08601	0.3
109.10152	0.3
117.07033	0.2
119.08616	0.5
121.10169	0.3
121.55797	0.2
125.00009	19.1
126.00298	0.2
131.08551	0.3
133.10135	0.3
135.11684	0.2
143.01056	0.2
147.11757	0.3
149.09714	0.2
184.07344	100.0
185.07675	0.9
186.07835	0.2
193.12605	0.2
214.57840	0.2
267.16193	0.2
309.58615	0.2
335.25717	0.3
389.18130	0.2
535.28674	0.2
552.29071	0.2
583.33777	0.2
643.42279	0.2
672.42401	0.4
712.45593	0.2
740.45001	0.4
758.46027	0.6
794.53235	0.6
812.54590	0.6
828.53955	0.8
846.50616	8.1
847.51007	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.5492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07391	0.2
60.08167	6.3
67.05503	0.3
69.07063	0.1
69.58173	0.1
70.06596	0.2
71.07375	4.2
79.05496	0.3
80.67261	0.1
81.07059	0.4
86.09708	33.4
87.10019	0.2
91.05491	0.2
93.07040	0.1
95.08614	0.1
98.97920	0.1
98.98466	4.0
104.10748	4.3
107.08611	0.2
125.00009	22.1
135.74074	0.1
143.01050	0.1
184.07346	100.0
185.07732	0.8
229.49292	0.1
534.31622	0.1
637.10046	0.1
646.36823	0.5
694.32556	0.1
700.81470	0.1
710.42230	0.1
728.44177	0.4
729.44476	0.1
746.46173	1.4
759.40320	0.1
810.52039	0.1
828.53564	0.7
846.54919	2.7
847.54401	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	845.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08163	0.5
61.02941	4.0
65.03973	0.3
67.05511	5.5
69.03445	3.0
69.07088	2.3
69.27293	2.1
69.27710	0.9
71.01371	0.5
71.05003	0.5
71.65974	0.3
73.02921	3.8
76.82609	0.3
79.05497	5.7
81.03416	2.1
81.07069	5.0
82.40411	0.3
83.04971	0.5
83.08635	0.7
85.02917	4.4
85.06563	0.4
86.09705	4.0
87.10052	0.4
89.77715	0.4
91.03959	2.0
91.05490	4.2
93.07060	4.9
95.05006	0.6
95.08625	2.6
97.02910	4.3
97.06574	0.5
99.04454	0.5
101.01806	0.4
101.02357	1.7
105.07040	3.5
107.08594	2.3
109.02892	0.6
109.10124	0.7
111.08052	0.3
117.07042	1.4
119.08603	2.7
121.10177	1.5
123.08136	0.4
124.99996	2.1
126.00261	0.3
127.03955	1.5
129.07085	0.3
131.08606	1.3
133.10153	2.2
135.11719	1.2
143.08565	0.6
145.10135	0.9
147.11723	1.0
149.09595	0.4
149.13326	0.6
157.10141	0.5
159.11708	0.5
161.13284	0.6
171.11693	0.4
183.31680	0.3
184.07355	10.4
185.04269	0.6
185.07742	0.9
243.08441	3.2
243.10403	0.3
301.09103	1.2
315.10712	1.0
317.21118	0.4
333.20337	3.0
355.13657	0.5
373.11407	0.5
373.23611	0.6
389.22891	0.4
431.24265	0.4
439.19516	1.3
453.20557	0.5
465.21194	0.8
469.20947	0.6
517.28583	0.4
535.28857	6.9
551.28290	4.8
623.30524	0.5
845.50275	100.0
846.50653	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	844.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07378	0.1
60.08167	6.2
67.05514	0.5
70.06596	0.3
71.07378	4.1
71.12071	0.2
79.05498	0.4
81.07060	0.2
86.09711	32.1
87.10057	0.3
91.05510	0.2
93.07017	0.1
95.04989	0.1
95.08608	0.2
98.98470	3.7
104.10752	4.0
105.07072	0.2
107.08611	0.2
109.10160	0.2
121.46793	0.1
125.00012	21.9
132.08054	0.2
143.01096	0.2
145.63867	0.1
156.36823	0.2
176.10693	0.4
184.07350	100.0
185.07771	0.8
190.08600	0.5
286.17987	0.1
343.76599	0.1
348.21686	1.3
566.29822	0.2
589.18408	0.2
598.98193	0.1
646.37256	0.2
726.43359	0.2
744.44397	0.7
746.46588	0.6
808.50842	0.2
826.52466	0.6
844.52911	3.7
845.51471	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	844.5339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07404	0.2
60.08167	6.6
67.05500	0.4
69.07051	0.1
69.29426	0.6
69.29842	0.2
70.06585	0.2
71.07378	4.3
79.05505	0.3
80.62943	0.1
81.03426	0.1
81.07062	0.3
85.16423	0.1
86.09710	31.9
87.10043	0.3
91.05485	0.2
93.07047	0.2
95.08621	0.2
98.98466	4.2
104.10050	0.2
104.10751	3.8
105.07037	0.1
107.08571	0.1
109.10169	0.1
120.63717	0.1
125.00010	22.2
126.00356	0.2
140.21014	0.1
143.01082	0.2
161.13298	0.1
176.10727	0.1
184.07349	100.0
185.07713	1.0
190.08664	0.3
273.47461	0.1
348.21722	0.4
532.30267	0.1
576.26801	0.1
646.36792	0.3
659.02985	0.1
697.21094	0.1
716.06793	0.1
726.44293	0.2
728.44623	0.2
744.44318	0.7
746.45367	0.4
808.50592	0.3
826.52374	0.6
844.38715	0.2
844.53052	2.2
845.53198	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	844.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76198	0.1
59.07388	0.2
60.08166	6.2
67.05501	0.4
71.07375	4.2
71.51437	0.2
72.04520	0.2
79.05492	0.2
81.03404	0.2
81.07058	0.3
86.09708	31.4
87.10034	0.4
91.05489	0.2
93.07052	0.2
95.65852	0.1
98.98466	3.8
104.10746	3.7
105.07040	0.2
107.08598	0.2
109.10102	0.1
119.08599	0.1
125.00007	21.5
143.01015	0.1
161.13304	0.1
184.07344	100.0
185.07692	1.1
186.07823	0.2
293.08597	0.1
348.21872	0.1
424.17319	0.1
532.30408	0.1
555.24121	0.1
618.45605	0.3
678.79755	0.1
679.04956	0.1
682.45453	0.2
744.44269	0.8
756.43744	0.2
792.51276	0.1
808.50867	0.2
810.52246	0.3
826.52704	0.9
844.53333	2.7
845.51135	0.3
877.30865	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	845.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08179	2.1
61.02935	4.2
67.05515	4.8
69.03435	2.6
69.06743	0.4
69.07080	2.4
71.01376	0.5
71.04991	0.7
71.07381	1.9
73.02928	3.3
79.05494	4.8
81.03426	1.8
81.07064	4.8
83.05007	0.8
83.08614	1.1
85.02914	4.0
86.09714	12.9
86.93361	0.4
87.10049	1.2
91.03958	2.9
91.05486	4.2
93.07053	5.3
95.04979	0.9
95.08632	2.5
97.02906	3.0
98.98494	1.5
99.04453	0.7
99.70895	0.3
101.02413	1.7
104.10773	1.5
105.07040	3.7
107.08568	2.2
109.02919	0.6
109.10170	0.8
117.07034	1.2
119.08575	2.1
121.10182	1.2
123.08064	0.4
125.00016	10.0
127.03958	1.5
129.07005	0.4
131.08607	0.7
133.10172	1.6
135.11726	1.7
145.05019	0.5
145.10147	1.0
147.11734	0.8
149.13298	0.5
153.38614	0.4
159.11647	0.6
161.13330	0.5
171.11668	0.4
184.07359	43.9
185.04211	0.8
185.07689	2.7
229.51845	0.4
243.08406	2.0
259.20728	0.4
267.16037	0.4
301.09119	1.4
303.19040	0.4
315.10556	0.5
317.20963	0.6
333.20227	2.2
373.11209	0.9
383.16736	0.4
389.23105	0.5
433.49915	0.4
439.19339	1.3
453.21234	1.3
535.28839	5.9
541.23004	0.8
551.28363	6.1
747.42712	0.5
845.50262	100.0
846.50769	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	843.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08168	0.8
61.02927	4.1
67.05507	5.5
69.03440	3.2
69.07059	1.8
71.07345	0.6
72.58907	0.5
73.02919	3.3
79.05499	5.0
81.03412	2.0
81.07059	5.0
83.04995	0.8
83.08635	1.1
85.02905	5.1
86.09708	3.0
86.53922	0.5
87.04468	0.6
88.95370	0.5
91.03959	2.2
91.05480	5.3
93.07046	5.0
95.04996	1.0
95.08616	3.5
97.02905	4.1
97.06502	0.7
97.10195	0.9
99.04452	0.9
101.02396	1.6
105.07020	4.4
107.04966	0.9
107.08575	2.7
109.02898	0.9
109.06522	1.1
109.10178	1.7
110.71808	0.5
115.05460	0.6
117.07033	1.3
119.08588	2.7
121.10176	2.0
125.00043	1.8
127.03970	1.4
129.05513	0.8
129.07066	0.9
131.08586	1.3
133.10138	3.7
135.11687	1.2
143.08574	0.7
145.10133	1.1
147.11726	1.1
149.13322	0.7
159.11719	0.6
184.07344	10.4
185.04265	1.5
185.07785	0.9
192.75240	0.5
193.12329	1.2
193.52365	0.6
243.08444	3.4
301.08911	2.5
313.18036	1.5
315.10513	0.7
331.18756	3.3
371.17191	0.7
373.11276	1.0
451.19455	1.3
531.25800	1.9
535.28864	9.5
536.29266	1.0
549.26703	3.8
607.30914	0.7
637.90845	0.6
673.69287	0.6
739.76898	0.6
745.41156	2.4
825.47620	10.4
825.62408	0.6
826.47528	0.8
830.14081	0.6
843.48621	100.0
844.49121	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	843.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08176	1.9
61.02934	3.6
65.03926	0.5
66.58391	0.4
67.05512	4.7
69.03437	2.9
69.07077	4.1
69.29583	3.6
71.01350	0.3
71.04989	0.7
71.07385	0.9
71.08649	0.5
72.99955	0.4
73.02926	2.4
76.33459	0.3
79.05492	4.5
81.03433	2.0
81.07064	5.3
83.05006	0.9
83.08646	0.9
85.02907	3.3
86.09710	9.3
86.10178	0.7
87.04440	0.4
87.10051	1.0
90.42905	0.4
91.03973	1.4
91.05495	5.3
93.07044	4.3
95.01349	0.6
95.04995	1.3
95.08618	3.5
97.02913	2.7
97.06560	1.0
97.10186	1.1
98.98486	1.1
101.02403	1.3
104.10749	0.9
105.07040	4.4
107.04990	1.5
107.08595	1.9
109.02881	0.7
109.06524	0.8
109.10194	1.1
111.08071	0.5
111.83118	0.3
117.07057	1.1
119.08562	2.4
121.10212	0.5
123.08060	0.4
125.00012	5.9
125.09633	1.0
127.03939	0.8
129.07037	0.5
131.08565	1.9
133.10143	2.3
135.11745	1.0
138.83173	0.4
145.10173	0.9
147.11774	0.8
149.09637	1.0
159.11691	0.5
177.12825	0.6
179.14343	0.6
184.07350	30.3
185.04297	0.6
185.07724	3.1
203.05400	0.5
227.12823	0.7
243.08405	3.3
245.13861	0.8
275.20309	1.2
315.19348	3.1
333.20572	1.6
371.22046	1.3
389.23029	0.5
439.19611	0.8
453.21033	0.8
483.36780	0.5
484.37170	0.6
533.27295	9.5
551.28308	6.3
843.48645	100.0
844.48944	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	842.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	5.8
61.02908	0.9
65.03938	1.6
67.05509	40.7
69.03424	2.3
69.06740	0.8
69.07076	10.7
70.06591	0.9
71.05004	1.9
71.07368	3.2
73.02901	1.1
79.05495	23.6
81.03410	2.2
81.07059	36.2
83.04969	2.6
83.08622	6.2
85.06570	1.3
86.09711	29.1
91.04983	1.4
91.05490	17.7
93.07051	26.8
95.04995	3.7
95.08612	22.6
96.08955	0.9
97.02896	1.3
97.06525	3.3
97.10162	2.8
98.20732	2.3
98.98499	4.0
104.10728	2.3
105.04514	1.1
105.07039	14.7
107.04984	1.7
107.08598	17.2
109.06522	2.8
109.10162	16.4
111.08082	2.1
111.27666	0.9
113.09599	1.0
117.07020	6.2
119.08578	12.7
121.06527	1.9
121.10147	9.7
123.08102	1.4
123.11697	3.3
125.00015	21.4
125.09624	2.9
129.07016	1.4
130.08632	1.2
131.08580	8.3
133.10147	10.4
135.08035	1.9
135.11696	6.5
137.09599	1.0
139.11205	1.1
143.08557	1.8
145.10146	7.0
147.11728	5.1
148.25885	0.8
149.09651	2.2
149.13269	5.1
151.11241	1.0
157.10159	1.0
159.11716	5.3
161.13264	2.9
163.11227	1.3
163.14857	1.5
169.10124	1.4
171.11644	1.8
173.11751	2.1
173.13278	2.3
175.14883	1.4
177.12738	1.6
184.07355	100.0
187.14792	0.9
195.13857	1.0
227.12810	3.1
229.14336	11.6
243.21021	1.0
257.18997	2.8
259.20621	1.5
261.22162	5.8
269.17496	9.8
275.20068	12.0
293.21127	1.8
295.47128	0.8
317.24829	1.6
335.25827	39.6
349.23758	8.8
351.25659	1.0
367.24786	5.7
489.35611	8.7
505.86191	0.8
507.36786	1.4
527.37128	1.1
529.38940	23.0
530.39636	1.4
609.45081	13.5
610.45837	1.0
627.46082	10.8
726.46759	1.3
843.48877	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	843.4351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	0.6
60.08156	1.8
60.11245	0.6
61.02923	3.5
64.56483	0.7
67.05511	6.3
69.03433	3.3
69.07068	1.2
70.06592	1.2
71.05003	1.6
71.07385	0.8
71.51480	0.8
72.08162	0.7
73.02911	2.8
74.92806	0.6
78.55768	0.5
79.05485	2.7
81.03418	4.7
81.07068	3.3
83.05006	0.7
83.08624	1.2
84.08147	0.9
85.02905	5.1
86.09714	6.7
91.03992	3.1
91.05470	3.2
93.07073	2.2
95.04984	1.4
95.08620	1.3
97.02877	3.9
97.06596	0.8
98.98503	0.9
101.02369	2.2
105.07053	1.8
107.04952	0.7
107.08599	1.5
109.02898	1.0
109.06561	0.7
109.10169	5.4
111.08100	0.9
113.57611	0.6
119.08610	2.2
121.10135	1.7
125.00024	4.9
127.03922	1.2
131.08595	1.7
131.22005	0.7
133.10147	1.7
147.11710	1.5
149.09634	1.8
155.10638	0.7
156.06323	0.7
157.10168	1.2
169.64607	0.6
173.11757	1.9
175.11217	1.0
184.07353	23.2
184.53239	0.6
185.04202	1.0
185.07748	2.7
193.12292	2.5
195.09895	0.6
211.13252	0.8
229.14467	0.7
243.08499	2.4
253.14000	0.8
257.13843	0.7
267.16037	1.7
283.15186	5.8
301.08932	2.8
309.16544	0.7
328.86929	0.7
339.17889	1.1
381.18945	1.4
385.18460	2.4
410.45825	0.6
413.17868	12.7
427.19507	2.0
441.21112	1.7
457.21286	0.6
465.28268	0.9
469.20740	1.9
499.21426	1.3
501.23117	17.5
502.23438	0.7
502.55716	0.6
511.28937	1.2
524.55811	0.9
529.22485	5.2
530.22485	0.8
573.25439	3.3
590.61572	0.7
629.31671	1.9
643.32776	0.7
657.34113	1.0
673.34100	100.0
674.34399	4.9
699.35577	0.7
701.37286	4.1
729.36395	3.3
745.36224	1.6
794.15070	0.7
843.43445	12.6
844.42163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07388	0.2
60.08169	6.7
67.05508	0.7
69.03448	0.2
69.07074	0.4
70.06593	0.4
71.07380	4.6
71.51105	0.2
79.05503	0.5
81.07066	0.5
83.08664	0.2
85.02943	0.1
86.09712	34.2
86.59411	0.1
87.10052	0.3
87.16019	0.1
91.05483	0.4
93.07055	0.4
95.04952	0.1
95.08610	0.3
97.10202	0.2
97.24586	0.1
98.97869	0.3
98.98481	4.2
98.99129	0.2
104.10754	3.9
105.07065	0.2
107.08617	0.2
108.25200	0.1
109.10184	0.2
116.72056	0.1
117.07059	0.1
119.08607	0.2
125.00014	23.2
131.08572	0.3
163.11357	0.2
184.07355	100.0
185.07666	0.9
233.29364	0.1
245.17444	0.1
279.59305	0.1
367.38904	0.2
445.38306	0.1
742.42566	0.4
744.43549	0.6
824.50739	1.5
842.51758	3.0
843.51056	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	840.547
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69542	3.2
65.03919	6.9
65.21793	2.9
67.05510	97.6
68.68874	3.0
69.03431	10.0
69.07076	33.6
71.04995	6.9
71.43997	3.3
77.03925	3.8
79.05496	83.7
81.03419	15.1
81.06590	5.8
81.07061	100.0
83.04982	12.9
83.08608	15.5
85.02906	4.6
85.06541	5.9
87.04469	4.2
89.14349	4.2
91.05482	86.4
93.06474	7.1
93.07048	88.0
95.04962	9.5
95.08614	50.3
97.02897	5.5
97.06526	15.1
97.10171	9.7
99.08084	4.4
105.07034	79.1
107.04965	9.2
107.08605	58.9
109.06529	6.0
109.10152	15.4
109.43999	3.2
111.08071	6.3
117.07018	28.9
119.08579	58.7
121.06509	4.7
121.10155	35.8
123.08057	3.6
123.11713	6.0
129.07022	21.2
131.08580	35.5
133.10138	55.4
135.08047	6.3
135.11705	24.7
141.07034	5.6
142.07825	3.6
143.08601	19.9
145.10141	34.5
147.11694	36.1
149.09676	6.6
149.13245	15.2
152.23499	3.0
153.12605	3.6
155.08545	10.4
157.10199	21.1
159.11729	29.7
161.09653	6.2
161.13327	18.8
169.10126	12.4
171.11746	14.5
173.13260	13.9
175.11252	6.4
175.14809	10.3
177.12793	3.7
181.12163	3.5
183.11665	12.2
184.07341	12.1
185.13272	11.7
187.14841	6.9
189.11221	4.3
189.16295	3.9
195.13844	6.8
196.22321	3.6
197.13293	5.1
199.14940	6.7
209.13344	3.9
216.38446	3.3
223.14861	3.7
231.21259	4.5
241.19600	20.4
255.15935	12.9
257.18979	7.3
259.20575	40.3
263.20227	3.4
269.17450	24.5
271.20621	4.2
275.20056	15.9
315.23254	9.5
333.24213	44.6
335.25848	4.1
349.23758	9.3
435.32532	10.3
453.33762	7.2
466.22189	3.6
491.35379	3.7
501.35510	4.1
509.36179	7.0
513.35852	19.2
515.38013	6.4
527.37244	51.1
531.36755	4.3
545.38287	9.6
607.43390	16.5
625.44745	17.9
862.12292	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	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	3.3
61.18172	2.8
65.03945	7.1
67.05507	88.1
69.03423	8.3
69.06720	4.5
69.07071	41.3
69.25077	8.9
69.25502	20.4
71.04985	4.4
79.05497	85.8
81.03413	14.7
81.07064	100.0
83.04974	13.6
83.08624	17.7
85.02886	6.2
85.06524	3.0
86.09700	3.3
91.05485	87.0
93.07048	87.3
95.04961	12.9
95.08613	59.1
97.02930	6.2
97.06533	16.3
97.10176	9.7
103.05408	3.9
105.07034	89.9
107.04959	6.1
107.08592	49.8
109.06517	8.8
109.10149	25.3
111.08105	8.5
117.07021	34.4
119.08591	66.7
121.06541	7.7
121.10167	34.6
123.08128	3.9
123.11726	7.3
125.09612	7.0
127.03869	4.7
128.06242	3.2
129.07005	19.5
130.08640	4.0
131.08577	40.3
133.06496	3.3
133.10138	46.4
135.08041	5.3
135.11703	26.7
137.09648	4.7
139.11134	3.7
141.06982	5.6
142.07788	4.7
143.08574	22.3
145.10121	41.8
147.11708	36.7
149.09624	10.6
149.13258	13.1
155.08565	11.5
156.09294	2.8
157.10129	18.8
159.08142	3.1
159.11699	24.9
161.09641	3.0
161.13284	17.7
163.11191	7.7
163.14865	4.1
165.12816	3.5
167.08595	5.6
169.10155	11.2
171.11667	20.7
173.13281	17.4
175.14828	10.0
177.12730	6.5
179.14301	3.6
181.10103	8.8
183.11746	10.9
184.07333	17.8
185.11845	2.9
185.13217	16.9
187.11217	5.0
187.14909	6.3
195.11720	9.5
195.13733	4.5
197.13313	9.1
199.14854	9.4
209.13313	6.7
211.14874	3.2
213.16467	4.3
213.81406	2.7
217.15947	4.7
221.13271	5.0
231.21225	4.5
239.17929	3.7
241.19557	11.4
255.16019	9.0
257.19043	4.3
259.20651	41.8
269.17499	14.6
275.20114	15.2
277.21735	3.3
297.22263	5.9
315.23129	4.1
330.74783	3.3
333.24203	44.0
349.23959	9.6
435.32669	8.5
453.33511	4.5
471.34711	4.6
495.34290	3.2
503.57977	3.6
509.36075	4.0
513.35712	25.2
527.37354	47.8
531.36487	4.0
533.39746	7.3
535.39410	2.7
545.38385	3.7
607.43750	23.0
625.44525	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.3
65.03937	6.7
67.05507	100.0
69.03090	1.7
69.03439	14.7
69.07069	58.0
71.01367	2.3
71.04996	23.4
73.02915	7.6
77.03925	2.0
79.05494	93.1
80.05816	1.9
81.03420	23.9
81.07058	92.7
83.04984	13.6
83.08620	12.7
84.08125	1.6
85.02907	8.1
85.06545	5.2
85.87822	1.2
86.09689	6.0
91.03943	1.6
91.05484	70.7
93.07047	88.1
95.04975	20.5
95.08611	60.2
96.08896	1.3
97.02901	11.6
97.06532	86.8
97.10169	5.7
98.06870	2.2
99.04455	3.0
99.08090	6.1
103.05461	3.0
105.04515	4.1
105.07036	48.1
107.04964	11.2
107.08595	41.5
109.02869	4.0
109.06515	20.2
109.10165	23.2
111.04430	2.7
111.08089	7.1
113.06030	1.8
113.09623	1.8
115.05486	3.3
115.07565	27.4
116.06266	1.9
117.07023	25.3
119.04929	2.3
119.08588	30.7
121.06495	7.7
121.09320	2.7
121.10138	28.3
123.04444	1.4
123.08064	7.6
123.11686	6.8
125.00033	3.2
125.09612	2.2
127.03947	7.3
127.07529	2.5
128.06252	3.6
129.05441	1.9
129.06999	12.6
130.07784	1.9
130.08701	2.2
131.08568	27.5
133.06471	6.3
133.10135	23.6
135.08040	12.9
135.11707	17.7
137.09630	4.5
141.07024	2.7
142.07774	2.3
143.08594	9.3
145.04971	1.9
145.06454	3.1
145.10139	22.0
147.08113	7.6
147.11679	13.0
149.09634	7.4
149.13232	12.7
151.11169	5.7
155.08546	4.7
157.10153	12.6
159.08073	3.1
159.11690	14.5
161.09660	7.0
161.13240	8.5
163.07622	1.5
163.11194	4.0
163.14865	2.4
165.12735	2.0
167.08498	1.7
169.10149	4.9
170.05917	1.3
171.08069	1.5
171.11652	6.7
173.04459	6.3
173.09575	3.2
173.13260	8.2
175.11185	5.1
175.14801	3.3
177.12753	4.7
177.16309	1.4
179.14139	1.4
181.10130	3.1
183.11623	2.7
184.07321	15.0
185.13271	4.7
187.11208	2.4
187.14819	4.6
189.12729	1.8
195.11836	2.4
195.13826	4.8
196.12329	1.4
197.13312	2.8
199.14841	5.1
201.07619	2.1
203.14381	2.2
209.13072	1.7
213.12805	1.8
217.15866	11.7
219.13663	2.0
221.15340	2.7
227.17932	2.1
233.15286	4.3
237.16306	2.3
243.21100	2.4
245.19063	4.2
253.14334	6.2
255.17557	3.8
259.20547	2.8
261.22067	9.6
263.19962	2.1
267.15765	2.2
269.17456	18.1
273.18503	32.1
275.20099	4.0
279.16000	1.5
291.19534	15.8
297.17041	2.1
307.18948	3.2
319.22455	1.6
333.24252	3.2
335.25809	81.5
336.26117	3.3
347.22144	10.8
365.23395	8.9
383.24301	3.4
492.62726	1.5
515.37775	1.9
529.38824	28.4
548.89777	1.6
555.40955	2.0
557.38843	2.0
567.40070	1.8
607.43323	5.1
625.44690	15.0
643.45892	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	6.6
63.49101	1.7
64.78358	1.7
66.54177	1.9
67.05508	42.5
69.03442	4.1
69.07069	17.9
71.04985	4.2
71.07371	3.3
71.08676	1.6
71.51371	2.4
73.02908	1.7
76.58884	1.9
77.56760	2.1
79.05500	41.6
81.03438	5.5
81.07065	36.2
83.04980	4.8
83.08626	16.0
85.02914	3.1
85.06535	2.6
86.09712	31.5
91.05486	44.2
91.06027	3.8
93.07053	38.4
95.04987	5.7
95.08625	27.0
97.02914	2.9
97.06550	4.3
97.10175	18.6
98.98473	4.0
104.10725	3.9
105.07033	49.8
107.04954	3.5
107.08604	38.4
109.06511	3.9
109.10145	12.9
111.08127	2.5
115.05450	3.9
117.07025	17.6
119.08591	31.2
121.10152	16.6
123.08112	3.2
123.11707	6.8
125.00011	20.4
125.09627	19.9
125.10352	2.2
128.06253	3.0
129.06990	10.9
130.07780	3.0
131.08571	23.1
133.10143	28.5
135.08101	5.8
135.11722	6.5
141.06927	4.3
143.08557	12.8
144.54710	2.0
145.10155	19.7
147.11679	18.3
149.09637	3.7
149.13249	5.5
151.11240	2.4
155.08569	6.6
157.10115	11.4
159.11714	14.5
161.13252	5.5
163.14775	2.6
167.08591	2.7
169.10173	6.4
171.11691	10.9
173.13289	5.7
175.14876	3.6
181.10095	3.1
183.11710	7.4
184.07350	100.0
185.13272	9.1
187.13345	2.3
187.14893	4.4
187.72443	1.8
189.11246	8.9
195.11679	3.5
197.13330	7.6
199.14822	7.2
201.16579	2.4
209.13272	3.6
211.14876	4.6
223.14870	2.8
225.16447	4.2
227.12775	17.1
233.13217	1.9
237.16298	3.5
241.19553	5.8
243.15979	4.3
257.19141	5.4
259.20538	10.3
275.20148	16.3
300.55560	2.1
313.21567	2.5
315.23196	2.3
333.24292	14.3
349.23807	9.2
365.28156	10.8
381.31766	2.8
383.29575	2.6
435.22791	2.3
439.31854	3.3
468.41766	2.1
503.33887	2.8
513.35901	12.5
515.38629	5.4
533.39972	6.1
543.36389	2.7
551.41022	2.4
571.41595	2.3
594.08649	2.4
607.43494	31.1
625.44678	56.9
626.44946	5.7
728.44452	2.7
840.47382	3.6
841.44745	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	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39195	1.2
61.02921	4.6
65.03933	5.7
67.05507	100.0
69.03437	7.2
69.07072	56.7
70.63937	4.1
71.04996	6.1
73.02918	2.8
77.03925	2.2
79.05495	66.1
79.37891	1.2
81.03409	6.2
81.07061	81.3
83.04987	6.2
83.08633	10.5
85.02905	5.8
85.06528	2.3
91.05486	57.7
93.07047	66.7
95.04960	12.6
95.08611	62.3
97.02884	5.5
97.06535	15.0
97.10176	5.8
99.08080	1.6
103.05447	2.3
105.04494	3.8
105.07034	40.3
105.47050	1.2
107.04971	8.5
107.08603	37.3
109.06525	4.2
109.10161	30.2
109.10719	0.7
111.08094	6.2
115.05473	2.0
115.07590	1.6
117.07010	13.2
119.08582	31.7
121.06522	4.2
121.10155	20.8
123.08067	5.8
123.11734	5.7
125.09644	5.3
127.03913	2.7
129.07031	5.3
130.08627	1.6
131.08578	16.6
133.06517	2.0
133.10127	20.9
135.08063	3.6
135.11710	11.3
137.09637	9.4
137.13283	2.4
139.11168	2.6
141.06996	2.9
142.07809	1.7
143.08597	5.5
145.10120	16.9
147.08112	1.7
147.11685	11.9
149.09608	16.9
149.13283	6.0
151.11215	2.6
155.08528	2.2
155.10736	1.7
157.10143	5.4
159.11711	12.7
161.13287	6.9
163.11179	5.5
163.14835	2.3
163.22633	1.5
165.09209	1.8
169.10078	2.9
171.10260	1.6
171.11664	2.7
173.11771	5.3
173.13264	7.6
175.14862	2.7
177.12733	3.0
179.14308	3.7
183.11685	3.1
184.07256	1.5
187.11195	1.5
187.14813	2.8
189.11249	2.0
189.12770	1.5
189.16432	2.1
197.13228	1.5
199.14914	2.0
215.17911	1.5
227.12790	4.3
229.14406	4.6
229.19466	1.8
235.17006	1.3
239.17981	3.5
243.21057	2.9
247.20599	1.8
257.18988	4.2
259.20554	3.3
261.22113	7.0
273.18506	3.7
275.20081	25.7
279.76492	1.2
291.19623	3.2
293.21100	4.3
317.24866	2.1
331.22906	1.5
335.25827	55.6
336.26080	1.8
349.23737	33.7
365.23413	1.7
383.24860	1.5
431.31552	4.7
489.35858	14.0
513.39288	6.7
515.37323	3.4
529.38715	2.3
540.82172	1.6
609.45166	33.7
610.45630	1.6
627.46417	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	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	2.4
61.02914	4.5
65.03937	6.3
67.05507	100.0
69.03426	6.8
69.07069	33.2
69.28085	14.7
69.28495	3.3
70.06574	2.3
71.04977	7.1
71.08607	3.3
73.71338	1.9
77.51453	1.9
79.05499	84.6
81.03412	11.0
81.07058	86.0
83.04981	8.7
83.08620	17.5
85.02888	4.8
85.06543	5.6
86.09677	6.1
91.03922	2.5
91.05484	84.2
93.07047	79.4
95.04975	11.8
95.08614	62.1
97.02882	6.1
97.06532	10.2
97.10146	7.9
99.04476	2.0
99.08069	5.1
99.08677	2.0
103.05444	4.7
105.04567	3.4
105.07037	75.4
106.07405	1.8
107.04958	4.4
107.08595	44.3
109.06516	9.1
109.10152	25.7
111.04420	2.5
111.08074	7.0
115.05466	3.1
116.07064	2.4
117.07024	34.2
118.71738	2.1
119.08591	51.0
121.06496	4.8
121.10146	25.7
123.08053	5.9
123.11698	6.4
124.99966	3.2
125.09607	5.6
127.03880	3.5
128.06210	8.1
129.07005	21.4
130.07771	3.4
131.08569	37.1
133.10136	40.1
135.08011	6.1
135.11678	18.0
137.09601	3.4
141.06972	7.0
142.07779	3.9
143.08580	20.3
144.09340	2.3
145.06459	2.4
145.10121	32.1
147.08125	2.0
147.11713	25.3
149.09618	7.4
149.13220	12.8
151.11198	3.3
153.06999	2.4
154.07671	3.5
155.08591	10.8
157.10141	23.0
159.08051	2.8
159.11710	26.5
161.09645	3.7
161.13261	15.0
163.11156	6.8
163.14856	3.2
166.07672	2.7
167.08514	4.6
169.10120	12.3
171.11682	18.4
173.09627	2.4
173.11949	2.5
173.13237	12.2
175.11246	3.0
175.14787	7.9
177.12730	5.4
179.14278	2.6
181.10112	6.0
183.11678	13.8
184.07335	21.5
184.61824	2.4
185.13255	11.8
187.11188	2.6
187.14822	4.5
189.11171	2.4
193.12225	2.2
195.11705	7.6
195.13950	2.3
197.13281	8.0
199.14798	6.3
201.16394	3.5
207.11813	2.6
209.13310	6.1
211.14876	7.2
213.16431	3.6
221.13242	4.5
223.14890	3.8
225.16434	2.5
227.12601	3.6
231.21280	2.2
237.16441	2.7
239.17960	3.9
241.19550	8.1
243.20787	2.3
257.18991	5.3
259.20563	16.4
261.22061	3.0
265.19580	2.7
269.17438	7.4
273.18588	3.7
275.20190	10.8
277.21536	5.1
291.19632	4.1
293.21085	3.2
297.22302	2.8
310.20828	2.0
315.23227	2.9
318.72116	2.2
333.24402	12.2
335.25818	8.0
349.23889	4.7
351.25510	4.4
361.47815	2.7
365.23233	2.9
387.28583	4.4
411.75647	2.6
435.32455	2.8
453.33099	3.1
466.39752	2.4
487.06772	2.5
501.44238	2.2
513.35742	4.1
527.37372	12.7
545.37994	4.2
607.43518	4.1
609.45160	27.0
625.44275	10.0
681.50293	3.6
712.06860	2.0
823.30811	2.5
841.46252	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	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	1.7
61.02936	2.8
65.03939	8.0
67.05509	100.0
69.03436	20.5
69.07072	59.0
69.85999	1.4
71.04993	20.2
71.08620	1.5
73.02917	6.6
73.06554	1.8
78.58396	1.4
79.05495	88.9
81.03426	18.5
81.07061	90.1
82.07375	1.7
83.04984	13.0
83.08627	14.2
84.08190	1.4
85.02909	9.9
85.06534	4.3
86.09695	2.4
91.05487	68.1
93.07049	89.9
95.04981	19.1
95.07992	1.6
95.08611	65.3
97.02893	12.6
97.06533	81.5
97.10168	4.1
98.21542	3.2
99.04467	3.5
99.08097	7.2
103.05511	2.0
105.04504	3.7
105.07034	47.7
107.04977	10.2
107.07880	2.8
107.08600	45.0
109.02886	5.1
109.06522	23.3
109.10162	25.3
111.04436	2.7
111.08064	7.6
113.05984	2.8
115.05460	3.3
115.07585	25.2
117.07032	21.5
119.04938	1.5
119.08586	33.6
121.06490	7.5
121.10148	32.0
123.08079	9.3
123.11695	5.6
125.00047	2.4
125.09624	3.9
127.03906	7.5
127.07546	3.6
128.06241	3.4
129.05472	2.6
129.07027	11.6
130.08681	2.1
131.05031	1.5
131.08565	27.0
133.06494	3.7
133.10139	29.0
135.08070	13.5
135.11708	17.7
137.09608	3.7
139.11168	2.2
141.06998	4.4
143.08556	11.6
145.10168	19.8
147.08044	5.9
147.11703	18.4
149.09613	6.6
149.13264	9.7
151.11162	4.0
153.09172	1.6
155.08522	3.6
157.10141	11.0
159.08075	3.3
159.11674	14.8
161.09595	7.2
161.13266	9.2
162.60931	1.5
163.11209	3.9
163.14862	3.8
167.08549	2.5
169.10098	4.3
171.11711	9.6
173.04459	5.9
173.09575	1.5
173.13245	11.2
175.11223	3.2
175.14841	3.9
177.12776	5.0
179.10710	1.8
179.14343	2.3
183.11749	2.8
184.07376	6.8
185.13252	5.2
187.11249	2.0
187.14867	2.7
189.12791	3.7
195.11824	2.0
195.13800	3.9
197.13321	4.3
199.14816	4.3
201.16388	1.6
207.13794	2.0
217.15895	9.6
221.15422	2.9
227.17940	2.1
229.14288	2.3
233.15482	4.1
239.18018	2.1
243.21217	2.4
245.19003	3.2
253.14397	4.3
255.17587	3.2
257.19101	2.7
259.20532	4.5
261.22089	5.9
263.20230	2.0
269.17529	12.5
273.18497	28.8
275.20059	6.9
277.21619	5.3
291.19592	18.4
293.21176	2.2
333.24307	2.1
335.25824	86.9
336.26318	2.3
347.22180	10.1
349.23807	3.7
351.25250	5.4
365.23221	11.0
366.23550	2.1
504.91263	1.6
515.37659	3.6
527.36444	1.8
528.51489	1.8
529.38922	26.9
531.37189	2.7
555.39392	2.5
557.37714	3.0
567.40631	1.8
607.43463	5.1
625.44891	17.7
626.45801	1.7
643.45551	8.1
841.46649	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	840.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	6.1
61.02935	4.7
63.49576	1.4
65.03960	4.5
67.05508	100.0
68.05852	2.2
69.03452	5.5
69.07066	18.6
69.07359	1.7
70.06602	2.0
71.05012	11.4
71.51488	1.8
72.08141	1.4
73.02933	2.1
75.59649	1.3
79.05499	43.8
81.03426	44.7
81.07060	58.6
82.03739	1.8
82.07417	2.1
83.04983	8.2
83.08617	21.0
84.08143	1.7
85.02912	8.6
85.06124	1.6
85.06576	5.4
86.09722	3.5
87.04478	10.0
91.03966	1.8
91.05484	37.7
92.05801	1.4
93.07049	36.9
95.04973	18.8
95.08610	24.8
97.02898	7.3
97.06543	11.1
97.10178	11.7
99.04469	3.3
99.08086	1.9
105.04514	2.1
105.07035	21.2
107.04951	7.5
107.08601	26.0
109.06551	6.7
109.10164	53.8
111.04446	3.3
111.08096	6.3
117.07014	8.9
119.04996	1.7
119.08579	23.3
121.06533	4.5
121.10142	13.6
123.08119	4.8
123.11771	4.2
125.09625	10.0
129.07028	7.2
131.08588	15.3
133.06511	3.2
133.10135	16.3
133.10997	1.9
135.08102	4.3
135.11737	6.2
137.09612	7.6
143.08597	3.3
145.10123	9.7
147.08031	3.7
147.11678	11.4
149.09676	9.7
149.13324	5.6
151.11160	2.2
153.01996	1.5
153.12744	1.9
155.10701	4.6
157.10182	5.0
159.11728	7.1
161.13321	2.1
163.11243	6.0
171.11787	2.2
173.09541	2.4
173.11810	14.2
173.13226	3.1
173.79939	1.5
174.12151	1.4
175.11250	5.5
177.12808	3.1
181.12199	2.7
184.07362	7.3
189.11255	3.1
191.10725	2.3
193.12209	14.7
194.12570	2.1
195.13762	2.2
199.13344	4.2
205.12329	1.7
209.11745	3.1
211.13342	5.5
227.12776	8.3
229.14357	49.2
241.14168	2.0
257.18970	2.5
259.15402	3.4
267.09198	2.1
267.15921	32.1
268.16351	3.2
269.17529	16.0
270.17859	3.1
275.20050	14.2
283.15298	3.3
285.17105	2.7
286.17300	3.8
291.19370	1.8
301.16818	1.9
315.18188	4.7
329.21234	1.6
349.23761	8.0
365.23172	1.9
367.24799	1.7
369.24084	1.6
371.24707	2.1
383.24210	13.3
403.25046	2.0
413.21536	2.0
421.25723	9.5
423.27295	19.5
433.25812	1.7
437.29266	4.7
447.27551	4.0
451.27142	2.4
455.26270	2.0
461.29022	6.0
462.29416	3.0
463.30389	6.2
477.28622	2.8
479.30157	6.3
480.30371	8.6
481.31085	13.4
487.28979	1.9
495.29340	3.5
503.33548	12.3
521.34467	3.8
541.35510	7.4
559.36469	3.9
614.97101	1.7
836.77332	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	838.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02948	2.1
65.03934	7.7
66.36668	2.1
67.05510	90.5
69.03430	14.5
69.06747	2.8
69.07076	47.9
69.14902	23.7
71.04993	5.4
77.03899	2.2
79.05500	83.3
81.03423	12.7
81.06588	4.4
81.07056	73.3
83.04977	13.6
83.08614	23.2
84.08125	2.1
85.06539	4.5
87.04460	5.1
87.21256	2.2
91.05488	89.6
93.07044	78.7
93.07635	3.5
95.01273	2.3
95.04969	18.0
95.08057	4.0
95.08612	46.8
97.02909	13.6
97.06559	13.0
97.10165	20.7
98.21575	3.4
99.08122	2.9
103.05428	4.2
105.04488	4.0
105.07034	95.2
107.04967	11.1
107.08606	51.6
109.06521	6.9
109.10155	22.3
111.08083	4.7
115.05472	4.3
116.60702	2.0
117.07027	36.1
119.08591	74.3
121.06504	6.2
121.10139	26.5
123.08056	6.0
123.11690	3.5
125.00025	2.6
125.09640	19.1
128.06227	4.8
129.06995	18.7
131.08569	37.0
133.06493	5.3
133.10133	56.2
135.08060	13.2
135.11687	17.3
136.06076	2.8
137.09654	6.8
139.11215	2.6
141.06993	3.7
142.07715	3.6
143.08534	16.6
145.10132	29.7
147.08080	5.5
147.10648	3.8
147.11697	36.6
149.09644	13.1
149.13264	11.5
155.08527	6.5
157.10172	15.7
159.11711	21.2
161.09589	3.8
161.13274	23.4
162.79617	2.4
163.11185	6.7
163.14815	3.1
165.09177	2.7
166.07896	2.4
167.08516	3.4
169.10117	9.4
171.10304	4.1
171.11697	14.2
173.13219	12.1
175.11188	5.2
175.14809	13.8
177.12772	5.1
179.14294	3.9
181.10184	5.2
183.11714	5.4
184.07339	21.2
185.13232	9.6
187.14865	7.3
189.11307	10.9
189.12715	3.2
195.11813	3.2
195.13779	2.2
197.13252	5.7
199.14839	7.9
213.16420	4.4
223.13246	21.7
227.12772	13.3
231.21112	5.1
241.19562	21.7
245.18944	2.6
249.14845	4.6
255.15962	2.5
257.19043	8.9
259.20578	46.2
259.64700	2.4
269.17468	8.1
273.18500	14.2
275.20084	31.0
276.20435	2.8
277.21780	2.4
291.19547	100.0
299.23782	3.1
315.23151	9.6
331.22757	2.5
331.26382	3.0
333.24231	52.7
349.23788	17.1
365.23224	33.0
379.30096	4.6
500.47534	2.7
525.35797	11.8
529.35193	6.2
543.36829	26.9
549.39703	3.4
592.21765	2.5
605.41620	7.9
623.43079	59.0
624.44171	2.9
641.44092	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	838.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	3.6
66.74822	1.5
67.05506	59.8
69.03412	6.1
69.07072	38.6
69.87163	8.0
70.06603	1.7
71.04984	3.7
77.33210	1.6
79.05495	47.9
81.03421	14.0
81.07058	80.2
82.07320	1.5
82.81146	1.6
83.04987	12.2
83.08620	11.3
85.02892	2.3
85.06532	3.8
86.09692	4.1
87.04460	6.8
91.05482	65.8
93.07043	48.6
95.01347	10.4
95.04967	13.2
95.08608	40.4
97.02898	2.8
97.06538	30.6
97.10172	5.7
98.21467	1.8
99.08063	2.4
103.05450	3.7
105.04510	2.3
105.07031	88.7
107.04961	21.4
107.08601	27.4
109.02893	2.8
109.06514	6.2
109.10157	13.7
111.08099	4.6
115.05459	1.9
117.07015	22.3
119.08585	52.1
121.06509	5.1
121.10146	12.4
123.04448	1.7
123.08076	4.3
123.11683	4.3
125.09618	4.2
128.06165	2.1
129.06984	5.1
130.07794	2.1
131.08574	28.9
133.09128	2.2
133.10132	46.5
135.08020	6.0
135.10237	1.6
135.11697	11.4
137.09604	4.0
139.07483	1.9
139.11246	1.9
141.06984	3.3
143.08562	4.1
145.06526	1.6
145.10117	25.4
147.08054	2.9
147.11676	18.7
149.09631	14.9
149.13245	8.5
151.11220	2.4
155.08549	3.1
157.10117	4.7
159.11708	15.8
161.09621	2.6
161.13243	5.9
163.11163	9.5
165.09160	2.3
165.12743	1.6
169.10146	5.0
171.11676	2.6
173.13271	5.7
177.12709	6.1
179.14288	17.1
181.12321	2.4
183.11755	3.2
184.07338	10.8
187.11081	3.9
189.16241	1.4
195.13783	1.9
197.13252	3.2
205.12312	2.3
227.12805	6.2
229.19489	2.2
239.17987	3.7
247.20520	3.7
255.15829	5.2
257.18881	11.7
269.17450	15.8
273.18274	1.6
275.20068	100.0
276.20322	3.5
279.16055	3.7
293.21078	7.7
331.22690	3.0
349.23730	54.6
350.24255	2.5
367.24802	2.9
397.15869	1.6
399.48141	1.9
433.26749	1.8
443.22049	1.8
503.33298	2.9
522.32245	1.7
529.35358	24.5
543.36835	81.8
544.37024	5.1
605.41473	2.5
623.33386	2.6
623.43115	37.5
624.43109	3.1
641.44141	7.7
687.40509	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	838.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.5
65.03948	3.7
67.05507	82.5
69.03424	6.1
69.07071	22.3
69.25380	11.4
69.25801	4.3
71.04985	4.6
77.03933	1.8
79.05014	2.4
79.05493	71.4
81.03409	5.9
81.07059	79.7
81.84328	1.7
83.04971	11.7
83.08619	12.2
85.02905	2.1
85.06540	6.3
87.04470	2.2
91.05485	100.0
92.05858	2.1
93.07045	66.4
95.04963	11.8
95.08614	43.4
97.02901	1.7
97.06535	6.7
97.10176	4.1
98.20750	3.8
99.08088	2.4
103.05450	2.0
105.04555	2.3
105.07036	96.9
107.04965	7.1
107.08597	47.0
109.02826	2.0
109.06506	8.2
109.10163	49.2
111.04456	2.1
111.08086	6.1
113.06039	1.5
115.05450	4.4
117.07033	20.7
119.08582	57.5
121.06517	7.9
121.10144	19.9
123.08079	6.6
123.11716	8.8
125.09592	2.7
127.07554	3.0
128.06232	4.5
129.07001	15.3
130.07826	1.8
131.08586	33.2
133.06471	3.1
133.10139	83.6
135.08069	8.3
135.11702	17.2
137.05937	1.7
137.09602	3.3
141.07027	2.6
143.08577	15.7
145.06490	2.1
145.10132	26.1
147.08061	4.4
147.11688	32.9
149.09619	7.2
149.13252	7.5
151.07501	1.7
151.11188	26.6
155.08559	4.4
156.09314	1.9
157.10185	11.8
159.11720	17.6
161.09636	4.2
161.13263	17.0
163.11191	6.3
165.12697	2.3
169.10115	5.4
169.12279	5.5
171.11690	12.6
173.09641	2.7
173.13292	11.0
175.11191	3.1
175.14832	8.2
179.08569	2.3
183.11705	3.6
184.07394	5.8
185.13226	10.1
187.14821	4.5
189.12700	4.0
195.11766	3.0
197.13298	4.0
199.14871	8.2
201.16403	1.8
207.11823	1.7
207.13808	1.9
213.12636	2.5
213.16402	2.6
215.12822	3.3
217.36858	1.6
219.11699	2.1
223.14963	2.2
225.16411	2.2
227.17883	2.8
231.21089	5.0
239.18057	2.9
241.19466	17.1
243.86147	1.8
245.19023	2.5
253.14357	61.0
257.19064	4.2
258.08774	2.2
259.20599	44.7
263.20175	3.7
271.15396	2.5
271.20422	2.4
273.18527	15.6
275.20071	2.5
277.21625	2.9
287.20279	2.1
289.18192	4.2
291.19498	16.8
297.22247	2.7
297.61734	1.9
315.23120	9.3
333.24246	47.0
335.25983	3.4
347.22189	4.1
365.23245	26.5
437.30396	3.5
501.35876	5.3
511.34119	11.4
513.36755	2.0
529.35358	16.4
531.38110	4.8
539.32422	1.8
543.36481	2.1
549.38910	3.9
605.41827	6.2
623.42932	37.9
624.43060	4.6
641.43719	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	838.4795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	32.2
62.70491	1.4
65.03941	4.4
67.05511	100.0
68.05843	1.6
68.57012	1.5
68.77415	1.9
68.87293	1.6
69.03442	8.1
69.06734	2.6
69.07077	31.8
70.64051	3.4
71.01369	2.5
71.05003	12.5
73.02925	2.4
74.33703	1.3
79.05502	45.4
81.03427	43.1
81.03922	1.7
81.07065	50.1
83.04977	11.9
83.08632	16.4
85.02909	8.3
85.06545	4.0
87.04475	27.9
91.05494	38.7
93.07054	29.3
95.04984	18.2
95.08617	31.5
97.02914	7.6
97.06531	9.6
97.10180	20.3
99.04465	14.9
99.08134	1.8
105.07037	23.4
107.04966	8.2
107.08598	20.0
109.02901	1.6
109.06560	6.8
109.10169	59.5
111.04452	4.3
111.08091	4.5
115.05461	2.9
117.07020	7.2
119.08576	21.3
121.06519	4.7
121.10137	13.8
123.04397	2.9
123.08080	5.2
123.11710	3.1
125.09635	20.3
128.06244	2.0
128.30028	1.5
129.05487	3.1
129.06989	7.8
131.08601	12.1
133.06502	3.3
133.10159	12.4
135.08069	3.8
135.11691	9.1
137.09631	9.9
141.87822	1.7
143.08559	2.8
143.10631	2.1
145.06395	1.5
145.10120	8.7
147.08064	7.5
147.11700	8.5
149.09647	11.2
149.13272	1.9
151.11220	3.5
153.12764	3.0
155.10666	6.0
157.08727	1.6
157.10146	4.1
159.11716	3.5
161.09592	2.3
161.13306	2.9
163.11182	11.5
165.12712	2.3
171.11714	3.6
173.11810	14.2
173.13177	2.9
175.11192	4.0
179.14328	2.2
181.12271	4.4
184.73010	1.9
187.11159	1.7
189.11278	3.9
191.10728	2.1
193.12251	12.0
199.13301	7.3
209.11711	4.5
211.13301	4.0
217.14336	2.2
219.13820	2.2
223.13332	4.3
227.12787	7.6
229.12152	2.4
229.14377	38.5
241.14372	2.9
257.19061	1.9
267.15955	27.3
275.20071	13.8
283.15356	2.6
291.19617	3.3
301.16635	1.8
302.48541	1.9
315.18188	3.0
325.20190	1.5
349.23947	14.6
383.24109	3.3
399.23886	4.3
407.27664	2.5
421.25888	7.8
430.71265	1.9
459.27502	2.4
475.27121	3.4
476.27783	2.1
491.33679	2.3
503.33765	8.7
511.28946	1.6
591.34943	1.7
809.28168	1.6
848.32104	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04712	2.1
59.05004	39.3
61.02927	3.2
65.03935	4.9
67.05508	100.0
69.03425	8.3
69.07069	34.9
69.64095	7.2
71.04997	11.6
73.02915	2.6
79.05498	42.4
80.05798	1.3
81.03421	27.7
81.07059	47.4
83.04989	10.1
83.08167	1.0
83.08627	17.1
85.02913	9.1
85.06555	3.5
87.03934	1.5
87.04473	30.4
91.03941	1.3
91.05485	37.5
93.07046	31.9
95.04977	12.5
95.08612	27.5
97.02904	5.6
97.06536	9.8
97.10174	15.1
99.04454	8.7
99.08099	2.5
101.05995	1.6
103.05488	1.3
105.06395	1.8
105.07043	21.1
107.04954	10.1
107.08594	19.0
109.02839	1.4
109.06490	5.6
109.10162	63.5
110.10490	1.2
111.04430	2.3
111.08104	5.9
113.09635	1.3
115.05472	2.0
117.07027	10.9
119.08591	21.3
121.06483	5.1
121.10141	9.9
123.08083	5.2
123.11707	3.0
125.09628	13.7
127.03893	2.7
128.06194	2.4
129.05481	3.2
129.07013	4.9
131.08592	12.6
133.06517	2.5
133.10135	14.0
135.08066	3.5
135.11711	9.3
137.06046	1.3
137.09619	11.2
139.11194	1.3
140.16481	1.0
141.63702	1.1
143.08577	3.0
143.10698	1.7
145.06514	1.6
145.10130	7.8
147.08064	2.7
147.11690	7.1
149.09616	12.9
149.13228	1.5
151.11214	2.4
155.08582	2.0
155.10674	6.7
157.08817	1.4
157.10159	4.2
159.11688	6.2
161.09665	2.5
161.13278	3.4
163.11179	9.8
165.09081	1.7
171.10211	1.8
171.11679	2.1
173.09576	2.3
173.11768	17.1
173.13174	2.7
175.11234	3.4
177.12766	2.6
179.14238	2.5
181.12280	3.3
184.07301	1.9
185.13191	2.3
187.11157	1.6
189.11218	2.7
189.12784	1.2
191.10663	2.5
193.12268	7.2
199.13338	7.6
209.11720	1.8
211.13290	3.9
223.13324	4.1
225.14787	1.4
227.12752	6.3
229.12140	2.4
229.14365	34.4
241.14297	3.0
247.20613	1.4
255.15929	2.1
257.13803	1.2
257.18976	3.4
267.15967	13.9
269.17459	2.0
273.18549	2.6
275.20093	14.8
280.30215	1.4
283.15546	2.7
285.17059	1.6
291.19537	4.6
301.16467	1.9
315.18173	1.3
325.20294	1.8
349.23685	13.5
383.24152	4.2
399.23645	1.2
401.23056	1.5
407.27890	2.3
409.26169	2.3
421.25900	4.8
475.26758	1.2
503.33698	12.9
518.32471	1.3
550.23907	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	4.1
61.02916	2.1
65.03931	3.5
67.05508	86.8
69.03416	4.7
69.07069	17.2
70.76107	3.4
71.01376	1.8
71.04980	5.7
73.02925	1.9
79.05494	35.7
81.03419	100.0
81.07059	40.0
83.01308	1.6
83.04984	14.4
83.08152	2.1
83.08617	26.1
85.02911	9.4
85.06524	5.2
87.04455	2.3
91.05483	37.2
93.07045	22.4
95.04375	2.4
95.04967	34.3
95.08604	16.9
95.91489	1.2
97.02895	6.3
97.06537	7.9
97.10175	15.2
99.08099	1.7
105.03335	1.9
105.04468	1.8
105.07037	20.4
107.04962	17.4
107.08601	18.6
109.02905	1.5
109.06531	10.2
109.10160	59.8
111.04436	4.4
111.08079	10.9
117.06994	6.6
117.34098	1.3
119.08597	23.4
121.06490	8.8
121.10151	11.4
123.04431	3.0
123.08062	4.0
125.06016	1.7
125.09641	13.5
128.06256	1.4
129.05486	2.8
129.07007	13.8
131.04927	2.3
131.08559	18.0
133.06491	5.9
133.10124	7.0
135.08047	4.3
135.11707	6.8
137.05939	1.7
137.09595	4.8
142.07784	3.5
143.08574	3.4
143.10583	1.4
145.06497	4.0
145.10132	9.1
147.04414	4.8
147.08041	5.5
147.11700	8.2
149.09633	9.7
151.00270	1.4
153.09125	2.4
153.12727	5.7
155.08598	2.3
155.10654	6.7
157.10104	12.5
159.07979	1.3
159.11662	2.4
161.09627	3.2
163.11209	14.1
164.56213	1.3
165.12781	2.1
169.10094	1.6
171.11497	1.5
173.09590	3.3
173.11749	11.7
175.11201	8.8
181.12222	5.4
183.56107	1.4
184.07295	2.3
185.13228	1.7
189.11220	4.7
191.10681	4.7
191.14325	1.8
193.12250	33.1
199.13312	3.8
205.12239	1.5
209.11731	8.6
211.11415	2.3
211.13289	9.5
217.14134	2.7
219.13828	5.4
223.13358	1.9
224.59979	1.4
227.12741	13.3
229.12344	2.0
229.14340	42.6
231.13782	3.5
235.13370	2.2
247.13319	3.2
249.14903	6.5
259.13245	4.1
267.15927	88.2
268.16110	2.0
271.16928	1.5
273.14905	2.1
273.18396	4.5
283.15451	7.1
289.17966	1.9
289.79407	1.3
293.17438	2.4
301.16580	8.1
309.16998	2.2
321.17178	1.5
339.23093	1.4
355.22537	1.8
365.21204	1.6
367.22623	3.7
373.23898	1.9
378.68851	1.6
383.22330	6.2
385.23700	5.6
399.23746	13.7
401.23209	8.6
403.24896	2.5
419.24557	1.6
421.25922	19.9
447.27185	1.6
457.25891	4.2
458.26736	13.1
459.27225	5.7
475.26901	15.2
476.27777	14.9
477.28711	2.8
493.28110	11.2
511.29010	3.1
518.32159	4.7
591.35590	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	838.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04984	1.1
61.02931	9.8
65.03929	2.4
67.05508	42.7
69.03432	4.4
69.06725	1.4
69.07072	15.6
71.04993	5.1
73.02907	2.3
77.03918	1.1
78.85160	1.0
79.05498	35.2
81.03423	48.1
81.07061	55.8
82.07392	0.9
83.04985	12.4
83.08620	21.9
85.02435	1.5
85.02910	20.9
85.06539	3.4
91.03958	5.8
91.04918	1.1
91.05488	30.3
93.07050	36.8
95.04973	19.5
95.08604	16.9
97.02891	6.1
97.06544	9.4
97.10180	4.3
98.32320	0.8
99.04490	0.9
99.08099	1.3
105.04549	0.8
105.07035	19.0
107.04965	5.4
107.08601	22.4
108.63060	1.0
109.06528	4.9
109.10159	5.0
111.04440	2.4
111.08086	9.4
113.06010	2.5
115.05449	1.6
116.06135	0.8
117.07017	5.6
119.08588	14.5
121.06497	2.1
121.10145	16.0
123.08053	2.6
123.11700	2.7
125.09614	2.0
127.03913	2.1
127.07610	1.1
129.07022	7.9
131.08578	13.1
133.06493	2.5
133.10147	13.7
135.08052	2.1
135.11687	4.3
137.09650	1.7
142.07765	1.4
145.04965	1.4
145.10121	1.8
147.08058	2.8
147.11694	11.6
149.09636	4.2
149.13271	14.7
151.11244	1.3
155.22192	0.9
157.10149	11.3
159.11697	7.4
163.06015	1.8
163.11198	1.7
165.12733	2.8
171.11719	1.1
175.11197	12.2
177.12746	3.6
189.11238	0.9
193.10435	1.1
193.12242	30.2
195.13791	5.9
211.13306	32.8
213.14792	1.2
227.12694	1.6
229.14406	1.6
234.77470	0.7
249.14830	1.5
267.15912	34.0
268.16379	1.2
269.17499	54.6
270.17865	1.3
271.86737	1.0
285.16977	27.9
289.18213	0.8
299.14563	1.0
435.27362	1.7
461.29004	75.6
462.29520	3.2
479.30069	100.0
480.30362	5.0
485.58084	0.9
493.27670	2.2
555.32916	1.5
573.34082	2.6
623.34454	2.0
652.65021	1.0
856.55902	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77774	1.2
67.05510	38.5
68.05821	2.0
69.03430	7.6
69.07074	34.1
77.03947	1.6
78.29546	1.3
79.05499	36.1
81.03421	12.4
81.06586	2.8
81.07059	45.7
83.04997	6.9
83.08626	10.6
85.06556	2.6
86.09703	5.0
91.05489	47.5
93.07044	33.3
95.01333	7.5
95.04991	10.6
95.08611	26.3
97.02883	7.0
97.06534	30.7
97.10170	10.9
103.05488	1.5
105.07036	58.6
106.07315	1.4
107.04953	16.8
107.08594	17.5
109.02855	1.5
109.06547	3.5
109.10154	12.6
111.08065	3.3
113.09679	1.3
117.07041	13.1
119.08587	32.4
121.06494	5.9
121.10140	10.2
123.04408	1.5
123.08074	4.4
123.11723	1.8
125.00034	2.1
125.09632	7.3
129.07008	4.7
131.08572	18.8
133.06474	2.6
133.10130	29.6
135.08043	4.6
135.11682	5.4
137.09595	1.8
143.08601	6.5
145.06496	1.9
145.10124	12.9
147.08076	2.8
147.11705	10.3
149.09624	5.7
149.13289	3.1
151.11162	2.2
155.08585	2.1
157.10162	4.5
159.11731	8.3
161.13248	2.3
163.11208	3.4
165.09111	3.9
169.10100	2.7
171.11644	3.2
172.67482	1.4
173.13167	1.7
175.11215	3.3
177.12770	4.1
179.14320	10.3
184.07350	14.3
185.09891	1.3
187.11159	2.1
189.11241	3.8
195.13875	2.1
205.12206	2.0
223.13278	13.6
227.12775	4.4
229.19608	1.5
247.20601	2.2
247.44341	1.4
253.14102	1.6
257.19034	5.3
273.18582	9.4
275.20081	60.2
276.20532	2.1
291.19559	52.3
292.19928	3.7
293.21069	4.3
341.03714	1.5
347.22397	2.0
349.19766	2.7
349.23740	30.6
365.23242	40.1
412.75070	1.5
541.35229	1.8
621.41022	4.6
639.42572	100.0
640.42792	7.4
657.43567	2.3
817.58655	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47637	1.4
60.08159	2.2
63.33202	1.4
65.03918	2.3
65.40805	1.4
67.05508	40.7
69.03419	6.2
69.06728	2.4
69.07076	34.9
69.84758	3.3
69.85154	4.5
77.43364	1.5
79.05074	2.4
79.05502	35.5
81.03417	13.4
81.07062	44.7
83.04992	7.8
83.08624	12.0
85.06500	1.5
86.09701	4.2
91.05487	44.1
92.05789	1.8
92.12255	1.4
93.07053	31.9
95.01322	6.1
95.04966	11.8
95.08623	25.6
97.02897	8.7
97.06538	34.7
97.10190	7.6
105.04465	2.8
105.07038	57.2
107.04960	20.0
107.08597	19.7
109.06509	5.6
109.10181	11.6
111.04443	1.9
111.08127	2.8
115.05486	1.9
117.07024	13.2
119.08603	29.2
119.21343	1.5
121.06516	4.9
121.10167	8.3
123.04446	2.9
123.08056	4.0
125.00002	3.7
125.09638	7.1
128.06215	1.6
129.06987	4.1
130.07802	1.7
131.08565	20.0
133.06468	3.8
133.10150	29.3
135.08047	4.4
135.11702	5.0
137.09624	3.3
141.07019	2.6
143.08575	5.0
145.06450	2.3
145.10117	14.6
147.08063	4.7
147.11703	13.0
149.09633	6.6
149.13243	2.8
151.11214	2.4
157.10120	5.1
159.11703	9.5
161.09624	3.5
161.13269	4.0
163.11197	3.9
165.09119	2.8
169.10135	2.5
171.11696	2.3
173.04398	1.8
173.13301	3.2
175.11185	2.6
177.12903	3.2
179.14293	9.1
182.19656	1.6
183.11694	2.3
184.07338	13.3
185.07712	1.8
187.11241	3.5
187.14821	1.7
219.13860	1.7
223.13274	10.4
227.12833	4.6
245.18993	1.9
257.19025	6.6
267.15936	3.0
273.18448	11.3
275.20071	71.4
276.20355	3.0
291.19577	53.6
292.19693	3.0
293.21048	4.6
309.20667	1.8
347.22171	2.7
349.23743	29.4
365.23254	42.0
541.35077	4.8
543.36395	1.8
621.42236	4.0
639.42572	100.0
640.42682	5.3
656.43658	1.7
687.98309	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	836.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
64.45368	1.4
65.03936	3.5
67.05510	60.7
69.03415	4.8
69.07072	28.1
69.35520	4.2
69.35942	6.4
73.99373	1.1
79.05496	49.6
81.03424	11.6
81.07063	78.3
83.04984	13.3
83.08636	9.7
85.02904	2.5
85.06536	3.6
86.09701	5.9
88.35999	1.2
88.43076	1.1
91.05484	83.1
93.07050	51.2
93.07640	2.6
94.56315	1.2
95.01324	7.8
95.04976	15.2
95.08617	32.7
97.02895	2.3
97.06536	32.3
97.10153	3.8
99.08108	1.6
99.09839	1.4
103.05472	2.4
104.03204	1.3
104.89060	1.4
105.07037	100.0
107.04955	20.2
107.08595	31.2
109.06509	4.5
109.09468	2.2
109.10168	33.4
111.04465	2.2
111.08077	3.6
115.05411	2.6
116.06249	1.8
117.07015	20.0
119.08590	38.2
121.06504	8.7
121.10161	9.6
123.08059	5.7
123.11700	6.1
125.00015	3.5
125.09608	2.0
127.07600	1.8
128.06227	1.5
129.07005	5.6
131.08580	29.4
133.06491	5.3
133.10136	70.4
135.08041	10.3
135.11655	8.7
137.06004	1.6
137.09605	4.7
141.07022	2.9
142.07759	1.4
143.08571	6.0
145.06462	3.5
145.10138	14.0
147.08061	3.2
147.11687	15.8
149.09645	11.5
149.13242	4.7
151.11191	19.3
155.08542	2.9
155.37244	1.3
157.10100	3.8
159.08028	2.5
159.11702	10.9
160.11179	9.3
161.09624	6.1
161.13280	5.7
163.11206	6.4
165.09093	2.5
169.10114	2.4
169.12270	3.1
171.11688	5.2
173.09665	1.6
173.13271	2.8
175.11140	3.1
177.09064	2.4
177.12747	4.6
179.14307	15.3
183.11710	3.2
184.07353	13.3
185.13318	2.1
187.11212	4.2
189.12691	3.1
197.13211	1.8
199.11255	1.6
207.13805	2.3
215.12854	1.5
227.17809	1.5
229.19493	1.7
239.17989	2.6
245.18909	3.1
247.20744	2.5
251.12779	4.3
253.14368	73.2
255.17523	1.7
257.18994	8.8
258.08920	11.8
263.20065	2.3
273.18524	22.1
275.20068	84.1
276.20456	3.1
279.15979	1.5
291.19608	21.6
293.21100	4.6
304.45541	1.3
309.20731	1.9
329.21317	1.7
347.22064	14.7
349.23730	38.6
365.23270	30.5
543.32886	1.6
545.34747	10.8
621.41388	12.2
639.42542	82.9
640.42572	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	836.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03434	2.3
69.46469	0.6
70.91671	1.2
79.01861	6.3
81.03427	5.4
85.02904	1.1
97.02901	2.7
102.99734	0.6
107.01308	1.9
109.02889	4.5
117.97701	0.7
125.02341	3.6
127.03903	4.8
143.03394	6.0
153.01840	100.0
153.02927	7.2
154.02173	1.3
157.02875	0.8
159.04340	0.8
171.02908	1.2
175.04022	0.9
175.63876	0.6
187.03946	1.7
191.03445	1.3
195.03044	0.7
201.01895	0.9
203.03357	1.4
207.02832	1.0
213.01804	1.3
215.03470	1.4
219.02905	2.0
229.01323	2.2
231.02895	7.3
233.04399	1.1
235.02446	2.1
241.01360	1.0
245.00858	0.9
247.02406	2.2
257.00870	2.4
259.02405	10.7
261.03934	1.5
263.01981	0.6
273.00476	1.1
275.01865	3.9
276.02737	1.6
277.03442	30.0
278.03781	0.8
279.04883	1.0
285.00287	2.3
297.06088	1.2
303.01370	31.5
304.01682	0.6
319.00812	1.7
321.02457	0.9
337.01941	3.3
429.04758	1.0
440.69580	0.7
445.04581	1.0
463.05035	3.9
467.08105	2.9
481.06174	4.3
617.07599	1.6
750.48773	0.7
769.08990	3.7
783.06396	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.5936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	2.2
65.03924	3.0
67.05508	40.7
69.03435	4.8
69.07073	20.3
69.53604	15.1
70.90518	2.0
71.04993	6.0
71.08636	27.7
79.05501	21.4
81.03404	7.1
81.07053	44.1
83.04964	5.5
83.08634	17.2
84.13547	2.0
84.83721	2.0
85.02905	3.3
85.10181	11.7
86.09724	9.7
91.05475	15.5
91.73630	2.3
93.07041	23.4
95.04965	4.6
95.08616	30.8
97.06524	7.7
97.10182	6.0
98.14328	2.0
104.05693	2.2
105.07043	15.1
107.04965	5.3
107.08585	17.6
109.06547	2.6
109.10176	26.9
111.08097	3.0
117.07035	7.1
119.08569	8.4
121.10162	8.7
121.19678	2.2
123.11668	4.9
125.00019	8.1
131.08583	7.0
133.10097	10.8
135.11707	3.5
145.10121	4.6
147.11607	3.1
149.09694	3.7
149.13272	4.5
159.11743	6.6
163.11227	5.1
173.11743	4.2
184.07355	34.7
202.15950	3.9
227.12819	2.4
229.14372	22.0
239.23669	3.2
269.17477	5.7
275.20123	12.9
294.67746	2.1
300.13721	6.1
313.27390	59.8
317.64441	2.1
339.17914	4.4
349.23831	13.0
381.26550	2.4
413.21552	9.1
467.37292	16.5
507.40491	100.0
508.40738	5.4
566.24847	2.4
587.46521	17.7
605.47821	3.6
619.49139	9.4
651.34601	2.7
651.44501	10.8
726.08014	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	835.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04983	2.3
62.92992	1.5
65.03937	5.6
65.21590	1.4
67.05507	100.0
69.03435	26.2
69.07070	21.1
69.15493	1.5
71.01345	3.6
71.05009	10.0
71.51283	1.6
73.02902	3.0
74.68895	1.5
79.05498	54.9
79.64254	1.5
81.03423	65.2
81.03926	3.1
81.07054	65.0
82.04195	1.7
83.04982	16.2
83.08631	15.1
85.02901	14.9
85.06542	3.6
86.09729	1.8
87.04472	3.2
88.13512	1.5
89.06091	1.7
91.05482	51.4
93.06482	3.0
93.07048	42.9
95.04974	14.3
95.08607	34.4
97.02889	26.5
97.06538	20.8
97.10169	13.8
99.04461	5.8
99.08071	2.2
103.05442	3.7
105.04530	1.6
105.07028	43.6
107.04942	14.1
107.08591	30.4
109.02887	13.2
109.06526	11.3
109.07137	1.7
109.10159	47.5
111.04440	6.0
111.08060	8.6
113.68991	1.5
115.05434	5.1
117.07018	15.4
119.08585	28.8
121.06535	8.1
121.10155	18.8
123.04447	3.2
123.08054	8.8
123.11728	3.2
125.09644	13.1
126.52985	1.5
127.03922	12.0
128.06192	3.4
129.05504	5.0
129.07034	8.0
131.08571	20.0
133.06482	2.8
133.10153	24.6
135.08046	7.2
135.11711	8.3
137.09563	8.2
139.07552	2.6
139.11147	1.9
141.06964	3.7
142.07788	2.8
143.08508	7.8
145.06528	4.0
145.10121	21.1
147.08031	5.5
147.11693	17.5
149.09662	13.1
149.13240	5.2
151.11168	2.8
153.12773	2.5
155.08586	3.1
155.10641	4.0
155.36943	1.6
157.10158	5.3
159.08078	3.7
159.11705	12.0
161.09656	4.1
161.13229	6.2
163.11185	11.7
165.09065	2.2
165.12831	2.9
169.10139	5.0
171.11726	5.9
173.04468	25.4
173.09633	3.3
173.11736	12.1
173.13271	4.8
175.11211	4.2
175.14760	2.6
177.12730	4.6
179.10704	1.8
179.14363	2.9
183.11711	4.2
184.07281	2.4
184.33945	1.6
185.09708	2.3
185.13203	4.0
187.11186	3.4
189.11214	2.0
189.56429	1.7
191.10684	3.1
193.12215	3.6
197.09634	1.7
197.13187	2.3
199.11285	2.1
199.13185	3.9
201.12741	2.7
205.12274	2.0
209.11749	3.0
211.13365	2.4
227.12662	7.7
227.20050	3.8
228.20464	2.5
229.14291	20.7
229.19569	3.6
239.17949	3.4
246.73155	1.8
247.20596	3.0
257.19089	9.1
267.16000	4.7
273.18552	4.5
275.20068	50.6
276.20370	2.9
283.15579	1.9
291.19446	6.8
293.21078	3.6
313.85016	1.8
331.22568	2.1
347.22217	2.4
349.23740	19.7
423.27267	2.9
431.01813	1.7
503.33731	18.3
521.34802	4.1
557.34357	3.1
575.35577	2.7
673.42987	3.4
817.46448	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	834.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06605	2.8
59.05000	3.7
61.02913	4.2
65.03946	1.4
67.05508	64.1
69.03422	4.0
69.07073	15.1
71.01343	1.6
71.04989	3.3
71.08633	27.2
71.51845	1.6
73.02921	3.7
76.09319	1.6
78.16965	1.3
79.05493	15.5
81.03426	7.0
81.07063	32.3
83.04986	6.1
83.08620	21.1
85.02918	10.3
85.06541	3.7
85.10189	16.1
86.09725	3.7
87.04472	4.0
91.05484	11.2
93.07041	10.2
95.04964	2.8
95.08060	2.7
95.08611	28.6
96.04528	1.4
97.02882	6.1
97.06539	4.2
97.10168	17.8
105.07021	4.6
107.05015	3.7
107.08580	8.4
109.06531	2.0
109.10164	44.8
111.04514	1.9
111.08091	2.8
116.04709	1.6
117.07038	2.2
119.08588	6.7
121.10153	5.5
122.26054	1.8
123.11697	1.5
125.09631	11.8
129.07034	1.8
131.08592	2.9
133.10168	1.9
135.11702	5.1
137.09633	3.0
137.13245	1.9
143.10690	3.3
145.10143	2.2
149.09558	1.9
153.12740	2.9
155.10718	4.0
163.11215	6.6
170.58604	1.3
173.09712	1.4
173.11734	11.1
184.07315	11.1
193.12373	1.5
199.13293	6.4
209.11766	5.3
227.12814	6.0
229.14351	47.5
239.23717	5.2
257.24707	1.8
267.15958	3.4
283.15347	2.4
301.16443	15.9
313.27371	100.0
314.27905	3.8
360.97858	1.5
399.23730	10.7
437.36319	2.1
455.37488	9.2
467.37387	33.0
468.38055	1.7
539.39465	9.2
557.40350	2.6
637.46637	24.8
746.24500	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	5.4
65.03933	6.9
67.05508	100.0
67.52223	2.2
69.03093	2.5
69.03439	28.1
69.07071	25.6
71.01357	2.8
71.04972	5.7
79.05498	39.4
81.03423	59.2
81.06598	2.7
81.07061	42.6
83.01357	2.2
83.04988	15.8
83.08621	16.9
85.02908	15.7
86.09677	6.6
87.04443	3.5
91.05490	36.2
93.07049	23.1
95.04977	17.3
95.08614	22.3
97.02905	26.3
97.06535	5.8
97.10179	21.1
99.04459	7.8
103.05455	2.3
105.07034	24.4
107.04951	12.1
107.08600	21.2
109.02892	21.0
109.06513	5.5
109.10171	44.9
111.04436	7.7
111.08071	4.4
115.05436	2.4
117.07024	14.4
119.04856	2.0
119.08571	20.6
121.06496	8.0
121.10141	8.3
123.04435	3.8
123.08050	5.6
123.11733	2.1
124.99986	4.2
125.09640	19.5
127.03927	12.3
128.06203	3.1
129.05489	3.0
129.07002	8.0
131.04892	1.9
131.08601	15.7
133.06493	4.1
133.10136	12.5
135.08023	6.9
135.11671	5.2
137.09621	6.6
141.06982	2.1
143.08575	7.4
145.06487	3.5
145.10097	8.7
145.14345	1.9
147.08054	8.5
147.11664	5.2
149.09648	5.9
149.13255	3.5
155.03368	2.0
157.04973	4.0
157.10115	4.1
159.08119	3.8
159.11699	4.7
160.11177	2.4
161.09619	5.9
163.11171	3.2
165.12776	2.7
171.06491	2.0
171.11624	2.8
173.04433	12.1
173.05740	2.0
173.11742	7.0
175.11177	7.3
177.12715	2.2
183.11823	2.1
184.07320	12.9
185.07657	3.5
185.09647	2.4
185.13260	2.0
187.11172	2.1
189.11205	8.8
191.10594	2.1
193.12234	5.5
205.12253	4.1
211.06078	2.1
218.38905	2.1
223.13322	13.1
227.12665	9.5
229.12257	3.6
229.14360	8.3
245.18971	3.9
249.14841	2.6
263.19916	2.7
273.18500	19.7
291.19562	72.5
347.22186	6.1
359.00259	2.0
365.23273	4.2
476.68152	2.5
491.33890	2.4
519.33252	69.3
520.33234	2.4
735.39093	5.3
833.46539	17.2
834.46680	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	830.5544
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06632	0.4
59.07399	0.2
60.08168	6.4
61.37362	0.1
62.76054	0.1
67.01939	0.1
67.05502	0.4
67.80847	0.1
69.03448	0.1
69.07069	0.1
70.06604	0.1
71.07378	3.8
73.35986	0.1
79.05459	0.2
81.07057	0.3
86.09711	30.2
87.10048	0.3
88.70503	0.1
91.05473	0.2
93.07030	0.2
95.08610	0.2
98.98471	3.6
104.10751	2.6
105.07037	0.2
109.10219	0.1
110.34918	0.1
125.00013	20.7
143.00989	0.2
160.47556	0.1
184.07350	100.0
185.07724	1.0
205.73119	0.1
227.20117	0.2
292.18924	0.2
334.23819	0.2
384.41321	0.1
453.16904	0.1
489.36096	0.1
552.32965	0.1
552.80591	0.1
604.45178	0.2
695.62457	0.1
712.45435	1.4
776.51355	0.2
794.53351	0.9
812.54346	2.9
813.53918	0.1
830.53564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5558
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	51.9
59.06118	3.8
61.02920	5.1
63.77362	1.3
65.03941	1.9
67.05178	2.3
67.05511	30.6
67.81821	1.2
69.03415	2.1
69.07072	9.8
70.06584	4.2
71.51759	1.8
71.52129	1.6
73.02901	2.4
75.94366	1.3
77.03952	1.6
77.24142	1.4
79.05500	22.1
80.05015	2.3
81.03418	2.0
81.05774	1.6
81.07066	25.3
82.06573	5.5
83.05009	1.8
83.08584	3.0
84.04500	2.7
84.08150	11.2
85.02898	5.6
86.09661	1.6
91.03951	2.5
91.05478	16.8
93.07056	20.2
94.06575	11.0
95.04982	3.3
95.08622	16.0
96.08133	2.9
97.02870	4.0
97.06548	1.4
98.02995	1.4
104.61919	1.2
105.04527	1.5
105.07053	10.5
106.06549	2.2
107.08612	14.0
109.06549	1.5
109.10143	6.1
110.09701	2.1
112.07597	3.4
114.09177	2.7
116.07079	2.3
117.07011	5.7
119.08592	9.4
120.08068	1.9
121.10145	8.0
123.11642	1.8
124.11226	4.4
129.06998	1.9
131.08580	6.8
133.10141	6.0
134.09683	2.0
135.11699	4.6
138.09158	1.4
143.08600	2.4
145.10046	3.3
147.11678	3.2
149.13243	2.7
152.10724	2.6
158.93062	1.5
159.11719	4.6
161.13251	1.9
164.14381	4.2
171.11790	1.7
174.12889	1.5
180.13780	2.0
184.07358	2.7
188.14606	1.4
220.16960	3.2
258.08862	1.5
300.23276	2.3
301.21643	1.8
318.24301	5.5
335.25836	12.9
350.36893	1.4
374.27094	1.4
392.27930	4.6
532.39996	2.2
612.46777	1.8
614.25104	1.4
652.49084	7.5
670.50427	100.0
671.50793	7.9
832.55835	17.3
833.53772	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	829.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	1.3
61.02934	4.2
65.03958	0.6
67.05508	5.5
69.03438	3.1
69.07066	1.5
71.01357	0.8
71.04972	0.8
71.07370	0.6
71.08642	0.9
73.02921	3.0
79.05502	5.8
81.03419	3.8
81.07045	4.7
83.04989	0.9
83.08640	1.0
85.02911	5.9
86.09709	6.3
89.88369	0.5
91.03961	2.3
91.05485	5.0
93.07053	5.8
95.04962	1.4
95.08604	3.7
97.02891	4.5
97.06511	0.6
97.10174	0.7
98.21578	0.9
98.98467	0.7
99.04468	1.1
101.02389	1.2
105.07032	4.1
107.08610	3.0
109.02887	1.4
109.10186	1.6
109.27509	0.6
117.07043	1.3
119.08575	3.5
121.10175	1.5
123.04496	0.6
123.11732	0.5
125.00034	3.2
127.03978	1.1
128.48073	0.5
129.07022	1.1
131.08577	1.6
133.10150	3.2
135.11700	1.2
141.47557	0.5
145.10156	1.2
147.11723	2.2
149.13254	1.0
157.10115	0.7
159.11751	0.6
161.13254	0.7
173.13432	0.6
184.07346	20.0
185.04253	0.7
185.07777	2.4
201.03691	0.7
211.13370	1.7
243.08371	3.3
259.20639	0.7
301.09045	1.2
301.14417	0.7
313.27444	2.2
315.10544	0.6
317.21155	1.1
397.18637	0.7
465.20978	1.6
525.23578	1.2
535.28894	13.9
535.36755	0.9
607.30872	1.8
621.33362	0.8
829.50745	100.0
830.51068	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	830.554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06638	0.6
59.07380	0.1
60.08164	6.0
67.05527	0.3
69.07053	0.1
70.06580	0.2
71.07375	4.0
71.51550	0.2
79.05489	0.2
80.97446	0.1
81.03400	0.2
81.07067	0.2
83.08653	0.1
85.02964	0.1
86.09708	30.9
87.10034	0.3
91.05452	0.1
93.07063	0.2
95.04984	0.1
98.98467	3.4
102.01521	0.1
104.10744	2.4
109.10174	0.2
125.00010	20.4
131.08554	0.1
135.11885	0.1
143.01070	0.2
157.58168	0.1
168.37515	0.1
184.07346	100.0
185.07706	1.4
186.07809	0.2
191.07155	0.1
372.68600	0.1
385.18808	0.1
724.45349	1.6
777.54517	0.1
778.53802	1.8
779.53967	0.2
794.52533	0.3
812.52869	0.2
830.50891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	1.2
61.02930	5.4
67.05506	6.2
68.94484	0.6
69.03445	4.0
69.07065	1.7
71.05011	0.7
71.07374	0.8
73.02916	3.5
74.79550	0.7
78.54458	0.6
79.05505	4.5
81.03438	1.6
81.07075	5.5
83.08627	1.5
85.02905	4.2
86.09711	5.1
91.03971	2.9
91.05509	3.1
93.07042	3.7
95.05006	0.8
95.08624	3.7
97.02905	4.4
97.10184	2.3
98.98493	1.0
99.04465	1.1
101.02414	1.7
103.08646	0.7
104.10751	0.9
105.07043	1.7
107.08617	2.7
109.02896	1.1
109.10167	1.8
117.07069	0.9
119.08577	1.6
121.10165	1.7
123.11736	0.8
125.00028	4.4
125.09662	1.2
127.03928	1.2
131.08536	0.8
133.10246	1.0
160.11180	0.8
184.07344	18.7
185.04227	0.7
185.07730	2.1
195.78047	0.6
229.59065	0.8
243.08484	2.1
247.20999	0.7
258.08987	1.1
264.32407	0.6
296.04535	0.6
299.17715	0.7
301.08826	0.8
333.20438	7.0
335.26208	0.7
377.35864	0.7
424.28073	0.8
519.29211	7.4
520.29724	0.8
551.28094	2.2
829.50677	100.0
830.51117	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	828.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06638	0.4
60.08166	6.1
67.05507	0.4
69.07034	0.1
70.06595	0.1
70.17105	0.2
70.17494	0.3
71.07376	3.8
79.05513	0.2
81.07059	0.3
85.02901	0.1
86.09708	30.6
87.10050	0.2
91.05489	0.2
93.07047	0.2
95.04984	0.2
98.98470	3.7
104.10745	3.6
105.07027	0.2
107.08581	0.1
111.08054	0.1
117.07082	0.1
119.08590	0.2
125.00008	21.0
126.00406	0.1
131.08562	0.1
143.01086	0.2
145.10161	0.1
163.01677	0.1
163.39093	0.1
184.07346	100.0
185.07742	1.0
222.17207	0.1
301.54169	0.1
518.32892	0.1
710.43805	0.2
712.45453	0.7
774.49786	0.2
792.51843	1.4
810.38599	0.2
810.52740	3.1
811.52142	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	828.5835
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08176	3.8
61.02921	4.8
65.03939	4.0
67.05513	85.0
67.05849	3.5
69.03420	8.8
69.06731	5.1
69.07073	64.7
71.05003	7.2
71.08622	9.4
71.29362	3.4
71.51862	5.0
73.02919	4.8
79.05067	4.6
79.05499	56.5
81.03415	9.7
81.07067	94.8
83.04972	13.0
83.08624	40.2
85.02896	8.0
85.06561	3.6
85.10178	5.6
86.09717	21.2
91.05491	41.4
93.07056	62.0
95.04968	9.0
95.08613	50.8
97.02924	7.7
97.06529	12.6
97.10174	20.5
98.98442	4.1
99.08118	4.3
105.07042	26.4
107.04947	6.5
107.08609	33.1
109.02872	4.2
109.06494	5.1
109.10167	22.8
111.08086	9.9
111.11756	5.3
117.07011	16.2
119.08600	23.8
121.06493	6.3
121.10142	23.6
123.08051	5.7
123.11704	7.3
125.00011	11.2
125.09644	4.2
127.03913	4.4
129.07033	4.5
131.08586	20.3
133.10173	22.7
134.18689	3.4
135.11693	17.4
136.09532	3.0
145.04958	4.0
145.06433	3.8
145.10123	12.3
147.11685	8.8
149.09613	13.4
149.13304	14.9
151.11157	3.2
157.10207	5.5
159.11676	17.3
163.11220	6.9
173.13307	4.5
177.12703	4.5
184.07358	59.5
195.13864	6.3
207.69991	3.2
229.19482	3.8
251.16380	2.7
255.15868	21.2
257.18997	8.8
265.25232	5.6
269.17490	48.7
275.20062	23.5
291.19571	3.8
295.92902	3.5
313.27386	7.0
331.22720	5.8
339.28979	99.3
349.23727	24.3
367.24872	6.5
507.40231	4.3
519.40814	27.0
524.99866	3.0
533.42133	100.0
533.50299	5.0
534.42078	5.7
587.45978	3.3
613.48163	27.0
620.20367	3.6
631.48737	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	827.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80712	0.5
60.08149	1.5
61.02927	5.2
65.03937	0.5
67.05507	14.4
68.05833	1.1
69.03429	4.1
69.07068	3.8
71.04988	1.3
71.07363	1.1
71.08606	0.9
71.51694	0.9
73.02920	3.7
79.05495	9.1
79.05921	0.9
81.03420	2.1
81.07058	14.1
82.07392	0.8
83.04974	2.1
83.08625	1.9
83.37438	0.4
85.02897	5.1
85.06519	0.7
86.09207	0.4
86.09705	11.0
87.10043	0.9
91.03964	2.6
91.05492	7.0
93.07050	9.6
94.07368	0.8
95.04974	1.9
95.08614	7.5
96.08958	0.8
97.02890	4.6
97.06532	1.1
97.10180	1.1
97.77905	0.6
98.98480	1.1
99.04456	1.2
99.08113	0.7
101.02389	2.0
105.07032	5.6
107.04964	0.9
107.08602	4.6
108.08929	0.8
109.02876	1.4
109.06536	1.2
109.10158	4.9
111.08089	0.9
115.03951	0.6
117.07033	1.8
119.08570	2.6
121.10146	2.8
122.10431	0.6
123.08062	0.8
123.11724	1.4
125.00011	6.3
127.03957	1.2
131.08592	2.0
131.55923	0.5
133.10126	4.4
135.11710	1.9
143.08568	0.6
145.10139	1.9
149.09607	0.7
149.13240	1.0
151.11238	1.0
159.11705	1.0
161.13271	0.7
169.10184	0.6
173.13260	0.6
177.12886	0.6
179.14322	0.9
184.07347	29.2
185.04337	0.6
185.07700	2.5
243.08405	2.7
262.79694	0.5
269.17612	2.2
270.17755	1.2
275.20096	0.7
331.18784	2.5
331.26193	0.5
335.25827	3.3
336.26303	1.9
337.27350	0.9
338.27679	0.9
351.25238	0.5
363.26346	0.5
453.79230	0.6
519.29279	5.5
529.38696	1.6
530.39282	4.2
534.45593	0.5
549.26599	4.3
612.47504	1.7
684.14148	0.6
690.91345	0.5
712.15979	0.5
716.55621	0.5
773.55762	0.7
809.47937	1.3
827.49158	100.0
828.49396	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	827.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08170	0.8
61.02930	7.4
67.05506	13.6
69.03429	4.7
69.07076	4.8
69.80801	1.2
69.81205	2.9
71.04993	1.3
73.02918	5.1
79.05498	9.3
81.03427	3.1
81.07063	14.3
81.42539	0.6
83.04998	0.8
83.08625	2.1
85.02917	6.4
86.09711	3.0
91.03966	4.0
91.05485	6.5
93.07053	8.9
95.04977	1.9
95.08613	8.2
96.08934	0.8
97.02891	6.2
97.06534	1.4
97.10181	1.6
97.16669	0.6
99.04465	1.4
101.02401	2.6
105.07034	3.6
106.07424	0.7
107.04961	0.9
107.08585	4.2
109.06516	1.5
109.10151	4.6
113.15701	0.6
117.07050	1.7
119.08598	3.0
121.10146	4.4
121.30697	0.5
122.10475	0.7
125.00037	2.7
127.03947	2.6
129.05446	0.6
129.07028	0.7
131.08598	1.8
133.10147	3.1
135.11740	1.7
145.10144	1.3
147.11732	1.1
149.13287	1.1
159.11746	0.8
173.13322	0.8
184.07339	11.2
185.04272	0.9
185.07799	1.3
193.12236	0.9
195.13712	0.6
243.08499	2.2
261.22156	0.6
269.17664	1.4
271.36459	0.7
275.20023	0.8
295.49603	0.6
301.09146	0.7
313.17834	2.3
331.18875	4.6
335.26065	0.9
337.27206	2.9
338.27875	2.0
357.15250	0.8
381.49188	0.6
517.39740	0.8
518.39227	0.8
519.29279	11.3
531.26874	1.3
531.40692	1.9
532.41064	2.5
549.26971	1.5
696.29974	0.6
729.41687	3.1
809.48047	13.2
827.49176	100.0
828.49353	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	827.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08170	1.0
61.02929	5.6
65.03941	0.5
67.05177	0.7
67.05509	7.9
69.03432	4.2
69.07085	1.7
69.42931	3.4
71.01360	0.5
71.04974	0.7
71.08630	0.6
73.02927	4.4
79.05495	5.0
81.03423	1.8
81.07056	5.7
83.08627	1.3
85.02917	5.6
86.09719	5.9
87.10030	0.5
91.03960	3.9
91.05499	4.3
93.07060	5.2
95.08612	4.8
97.02901	4.8
97.06556	0.4
97.10180	0.6
98.20808	0.8
99.04491	1.0
101.02392	2.1
104.10794	0.7
105.04565	0.5
105.07024	2.9
107.08607	2.1
109.02904	1.3
109.06513	0.6
109.10156	3.7
115.03960	0.5
117.07059	0.9
119.08632	1.7
121.10181	1.7
125.00011	3.7
125.04606	0.4
127.03940	1.7
131.08589	1.8
133.10161	0.6
135.11734	1.1
137.13377	0.4
145.10179	1.1
159.11723	0.6
184.07361	19.1
185.04327	0.6
185.07715	1.4
203.05312	0.5
229.14433	1.6
230.14957	0.7
243.08531	1.6
313.27411	0.8
314.27600	0.8
331.18805	7.2
465.07462	0.5
467.37360	0.7
468.37729	1.5
519.29291	5.7
549.26959	1.9
633.03491	0.4
827.49207	100.0
828.49249	7.8
843.79681	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4399
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	9.3
67.05510	8.9
69.03429	5.9
69.07068	3.0
70.64221	3.1
71.04989	3.3
73.02921	6.5
75.51167	0.9
79.05497	5.5
81.03416	8.5
81.07050	6.5
83.04942	1.3
83.08624	2.8
85.02894	6.7
85.06564	1.1
86.09702	1.7
87.04490	1.2
91.03963	5.9
91.05511	4.8
93.07056	5.3
95.04953	2.4
95.08625	3.8
97.02905	6.9
97.22453	0.9
99.04446	1.9
101.02389	3.0
105.07046	3.1
107.04980	1.5
107.08627	3.5
109.02896	1.5
109.06512	1.1
109.10165	4.9
117.07079	1.0
118.14226	1.1
119.08617	3.1
121.10181	2.3
127.03942	3.3
129.05493	1.4
129.07057	1.7
131.08582	1.2
133.10114	3.3
135.11690	2.5
145.04877	1.0
147.11768	1.9
149.09610	2.3
175.11336	1.9
181.04765	1.5
184.07335	3.6
185.04256	6.1
193.12253	2.1
203.05348	1.2
211.13348	1.4
216.51118	0.9
221.11534	1.1
229.14397	1.7
243.08345	6.5
251.12553	1.0
265.14209	2.1
267.15894	1.2
279.72510	1.1
282.22952	1.1
283.15210	12.7
296.40442	1.1
301.08917	13.7
309.16730	2.4
315.10672	3.7
323.18430	2.8
331.06644	1.1
339.17938	1.4
357.15652	1.4
367.17169	1.1
373.11218	4.4
381.18787	6.3
385.18408	7.7
387.12982	1.5
399.19968	2.7
413.17850	6.3
422.72952	1.1
427.19284	7.5
439.19403	7.0
443.19241	1.9
465.28412	4.3
469.20663	3.5
481.20306	5.5
483.22089	1.8
499.21555	3.8
501.23151	32.7
511.28876	2.4
514.23737	1.3
517.22906	1.6
529.22614	15.0
529.29962	1.2
551.28558	2.2
567.27631	1.4
573.25256	10.8
587.26471	2.5
601.28363	3.2
613.32202	2.3
615.29718	2.0
629.31927	1.1
643.33392	3.3
657.31055	2.9
673.34076	4.0
699.35632	18.7
723.39337	25.9
741.36664	47.0
742.37195	2.8
776.37238	1.1
809.43140	4.9
827.43982	100.0
828.44568	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	827.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	0.9
60.08186	0.5
61.02933	5.2
65.03973	0.9
67.05511	6.7
69.03433	3.9
69.07084	2.0
71.05010	2.2
71.51967	0.6
72.08166	0.6
73.02927	3.2
78.73825	0.5
79.05492	5.4
79.05830	0.5
81.03414	5.1
81.07056	4.9
83.05001	1.6
83.08633	1.3
85.02895	4.6
85.06591	0.6
86.09743	2.5
91.03992	2.2
91.05495	5.7
93.07043	4.3
95.05000	2.5
95.08591	3.0
97.02894	5.0
97.06525	3.5
99.04469	0.9
101.02415	2.3
105.07053	3.3
107.05022	0.8
107.08649	2.3
108.40633	0.5
109.02921	0.7
109.06554	0.6
109.10204	1.8
111.08098	1.0
117.07034	1.0
119.08630	2.2
121.06541	0.7
121.10178	1.6
121.13372	0.5
123.08105	0.7
125.00005	1.4
127.03976	1.1
129.07011	1.2
131.08624	2.5
133.10194	2.4
135.08046	0.6
145.10179	1.6
147.11789	1.8
149.09666	1.9
150.73524	0.5
152.50610	0.6
153.01820	0.7
157.10229	1.9
173.13304	0.6
175.11205	1.0
184.07350	7.5
189.12830	0.6
193.12350	1.5
197.29671	0.7
211.13463	0.8
222.15280	0.6
225.14919	1.1
243.08403	3.2
267.16000	1.3
283.15399	2.5
299.33759	0.5
349.19839	6.1
349.23257	0.6
439.19366	1.3
453.21042	2.0
469.20715	0.7
501.23053	11.6
567.27747	6.3
729.33887	0.7
785.58209	0.5
827.43945	100.0
828.44110	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	826.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	0.9
60.08165	5.0
61.02925	1.0
61.82864	0.7
63.12246	0.8
65.03948	0.7
67.05510	20.9
68.05860	0.8
69.03430	2.0
69.07069	6.2
70.61628	0.6
71.04990	1.4
71.07361	2.5
71.08634	1.8
71.52022	0.7
79.05500	13.1
81.03421	3.0
81.07060	20.1
83.04971	2.3
83.08617	4.3
85.02910	2.3
86.09713	29.6
91.05490	9.6
93.07050	14.7
95.04957	1.9
95.08059	1.1
95.08613	11.8
97.02895	1.6
97.06539	1.9
97.10172	2.4
98.09555	0.6
98.98470	3.3
99.08092	1.5
104.10726	3.6
105.07040	7.8
107.08602	9.1
109.06488	0.8
109.10146	6.7
111.04449	0.8
111.08092	1.6
117.07023	2.7
119.08601	6.1
121.06537	0.7
121.10176	4.3
123.11687	1.3
125.00017	20.4
125.09635	1.8
129.06944	0.9
131.08601	3.9
133.10149	4.3
135.08080	1.1
135.11699	3.7
143.08611	1.3
145.10112	3.1
146.98146	0.7
147.11697	2.3
149.09576	0.9
149.13248	3.6
151.11194	1.6
159.11678	3.7
161.09695	0.7
161.13258	2.0
163.11226	1.4
163.14804	1.1
171.11685	1.1
184.07350	100.0
185.07678	1.7
185.13202	1.0
186.07568	0.7
187.14775	0.7
189.11122	0.9
195.13861	1.4
203.14377	0.8
227.12791	1.9
231.21214	0.8
257.19003	0.9
261.22177	1.6
263.23709	0.8
269.17487	8.8
275.20078	3.5
277.21637	2.4
317.24677	0.8
326.13226	0.7
335.25821	12.1
336.25830	1.3
337.27396	8.1
349.23608	3.3
351.25345	2.2
492.39932	0.7
507.36426	0.8
529.38904	13.1
531.40057	1.1
586.90723	0.8
611.46643	6.8
629.47119	1.5
643.74512	0.8
646.49683	1.0
730.00757	0.7
767.43573	0.9
772.55164	3.2
790.55481	1.6
826.52344	1.9
827.48633	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	826.5176
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06607	0.6
59.04983	2.0
60.07893	0.6
60.08164	8.0
61.02929	6.1
65.03934	0.8
67.05508	46.5
69.03404	1.8
69.07068	4.7
71.04968	1.7
71.07378	4.0
71.08241	0.7
71.08633	12.4
73.02905	1.8
79.05497	2.3
81.03400	0.5
81.07059	11.4
83.08623	8.6
83.83308	0.5
85.02914	7.4
85.06533	1.1
85.09721	0.7
85.10180	7.6
85.17371	0.5
86.09710	33.3
88.91534	0.4
89.05987	0.8
91.03967	5.9
91.05479	3.1
93.07049	2.5
95.04961	0.4
95.08614	10.3
97.02896	4.6
97.06483	0.5
97.10160	2.4
98.20663	0.8
98.98470	4.0
99.04419	0.5
99.11699	0.5
103.07552	0.8
104.10760	3.5
105.07039	0.7
107.08561	1.4
109.10163	43.5
111.08054	1.5
119.08596	3.1
121.10166	0.4
123.11725	2.2
125.00011	21.4
127.03937	2.5
135.11673	0.5
137.09589	1.8
137.13232	1.0
142.27711	0.5
145.04951	2.6
155.10707	3.0
163.06073	2.1
173.11745	9.5
175.02425	0.5
184.07350	100.0
185.07599	0.5
196.69958	0.5
221.85257	0.4
229.14366	54.2
230.14732	0.9
236.46495	0.4
239.23769	1.5
257.24802	1.3
270.64874	0.4
272.61581	0.4
275.79147	0.4
304.89011	0.4
312.61511	0.5
313.27380	54.8
314.27670	1.2
373.18802	0.6
441.79507	0.5
454.75806	0.4
467.37360	67.9
468.37817	2.6
532.43164	0.5
611.41864	0.6
617.07397	0.5
808.50085	1.1
826.52643	4.0
827.49792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05011	4.2
60.08157	1.7
61.02932	10.3
65.03931	1.1
67.05508	64.6
69.03421	1.4
69.07066	6.0
69.37136	4.6
71.04986	2.6
71.07360	0.9
71.08634	15.5
72.36144	0.6
73.02913	3.1
79.05493	2.0
81.03397	1.2
81.06587	1.1
81.07062	16.3
83.04976	0.7
83.08625	11.1
85.02913	10.1
85.06530	1.9
85.10188	9.3
86.09709	8.4
89.06030	1.0
91.03963	7.9
91.05467	3.2
93.07045	2.8
95.08609	15.5
96.04520	0.8
97.02904	7.0
97.10178	3.3
98.20741	1.3
98.21422	1.7
98.98463	1.1
99.04402	0.6
104.10726	1.2
107.08562	0.9
107.94421	0.6
109.10162	62.4
111.08090	2.3
119.08616	4.5
123.11725	2.0
125.00000	5.3
127.03934	3.3
130.08640	0.8
132.79007	0.6
137.09647	2.4
137.13106	0.7
145.04951	3.6
155.10693	7.8
163.06033	3.6
173.10254	1.1
173.11743	16.0
184.07356	26.6
190.97893	0.7
220.95026	0.7
229.14366	100.0
230.14609	1.8
239.23709	1.0
257.24777	2.3
313.27386	74.8
314.27698	2.9
339.70953	0.7
390.55710	0.7
467.37369	62.8
468.37662	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	826.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
60.47458	0.3
63.02392	0.4
65.03931	0.7
69.03094	0.4
69.03434	5.3
71.04955	0.3
71.50904	0.5
79.01847	1.5
81.03425	21.3
83.01336	1.0
85.02904	2.0
92.99782	1.1
93.03390	0.6
95.01325	2.3
97.02896	2.3
99.00835	0.5
99.04451	1.2
101.02375	0.5
109.02887	13.4
111.00790	0.3
111.04429	0.5
113.02350	1.2
119.01290	1.3
121.02852	1.4
123.00791	1.5
125.02370	1.0
126.05527	0.6
127.03923	4.7
137.02324	1.0
141.01843	1.2
147.00810	0.7
149.02364	1.3
151.00305	2.0
153.01854	3.7
154.99757	0.5
165.01852	5.8
166.99788	0.5
167.03424	3.0
169.01407	0.8
171.02927	0.6
177.01862	0.9
178.99826	0.6
179.67189	0.3
181.01366	0.7
182.99268	1.2
189.01770	0.4
191.03445	0.4
193.01341	34.2
194.01666	0.6
194.99246	0.3
195.02927	1.2
201.01855	0.4
202.99831	1.0
203.03386	1.0
205.01305	1.3
209.00826	0.4
211.02455	1.7
217.01346	0.4
219.02878	1.4
221.00822	100.0
222.01135	2.2
227.03296	0.3
229.01346	0.6
231.02937	2.6
239.01868	4.7
243.02814	0.4
245.00749	1.4
247.02406	9.7
257.00732	0.7
257.02945	3.4
259.02408	1.2
261.03867	0.5
263.01892	0.9
271.02411	0.6
273.00323	1.3
273.03922	0.5
275.01874	6.6
275.04626	0.6
277.03146	0.5
285.00372	0.4
287.02042	0.4
291.01245	0.7
301.03421	0.9
303.01376	6.8
317.03015	0.5
319.00916	0.9
319.04349	0.5
327.01599	0.4
329.03058	0.4
347.03906	1.1
365.05066	5.2
383.06339	1.9
403.03149	0.3
419.06274	3.2
429.04416	0.9
431.02502	1.0
447.05707	1.9
449.03510	1.1
459.01892	2.1
477.03006	5.0
495.04086	1.2
513.05200	0.6
557.05798	0.3
575.06360	0.6
578.08051	0.4
585.05316	0.8
593.07800	0.4
603.06213	5.3
604.06720	0.6
620.08594	0.7
620.98041	0.6
621.07324	10.2
622.07257	0.7
638.09937	0.7
639.08344	17.8
640.08301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	5.2
67.05178	4.5
67.05508	56.3
69.03414	5.2
69.07077	21.7
69.21974	16.9
69.22404	14.1
71.05001	3.3
79.05493	49.2
81.06596	4.3
81.07059	55.0
83.08607	9.6
84.04494	14.5
85.02913	3.9
86.09704	23.1
90.00832	3.0
91.05487	55.5
93.07047	47.3
95.04960	5.9
95.08609	40.3
101.05405	3.5
105.07037	49.4
107.08601	26.9
109.10182	21.9
115.05443	4.5
116.59837	3.6
117.07034	19.8
119.08595	41.8
121.06568	4.8
121.10175	18.7
123.08118	3.3
125.00002	14.2
125.12328	2.8
128.24376	3.0
129.07047	17.6
130.07802	3.2
131.08586	25.3
133.10144	31.3
135.11673	13.3
141.07013	5.8
143.08583	17.4
145.10143	20.3
147.11684	14.5
149.13211	5.6
155.08543	14.0
157.10143	22.5
159.11684	16.9
161.13240	9.7
167.08569	5.9
169.10129	14.3
171.11687	15.2
173.13248	13.0
175.14734	3.9
181.10063	6.1
183.11717	10.1
184.05777	6.2
184.07346	73.1
185.13246	8.1
187.14810	4.1
195.11687	7.9
197.13228	9.5
199.14880	7.6
201.16487	3.5
209.13310	4.8
211.14873	7.0
213.16386	5.1
221.13298	3.6
225.16444	4.8
239.18039	4.4
249.64925	3.9
250.14423	3.8
257.18954	5.5
259.20615	7.5
308.13071	2.8
314.61026	3.4
335.25711	6.4
336.19327	3.1
351.27158	3.6
517.40277	11.7
535.41315	4.5
574.43134	3.6
591.44098	8.5
598.42908	11.5
609.45233	100.0
610.45123	6.9
824.51276	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	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86087	1.6
59.69806	1.4
61.02935	3.2
65.03944	5.0
67.05508	84.3
69.03421	8.2
69.07069	30.6
71.04990	6.2
71.43584	2.4
77.12006	1.4
79.05495	68.0
81.03420	11.0
81.07059	96.4
83.04967	8.2
83.08627	13.1
85.02896	3.5
85.06539	5.4
86.09710	5.9
91.05486	48.7
93.07048	78.0
95.04966	10.8
95.08613	53.4
97.02888	5.7
97.06519	14.1
97.10162	5.4
99.08090	4.2
103.05470	1.7
105.04531	1.9
105.07035	33.1
107.04962	5.8
107.07878	3.1
107.08599	46.2
109.02885	1.7
109.06524	7.6
109.10165	23.8
111.08082	7.0
115.05484	2.3
117.07021	15.7
119.08589	25.9
121.06516	4.7
121.10154	28.0
123.08063	6.3
123.11745	9.1
125.00002	4.8
125.09618	2.0
127.03922	2.3
128.06200	2.4
129.05449	2.2
129.06998	5.2
131.08577	22.6
133.10138	24.1
135.08063	3.9
135.11700	24.2
137.09613	4.7
139.11200	1.5
141.07036	1.6
143.08549	5.3
145.06494	1.9
145.10127	19.3
147.08047	1.7
147.11700	12.4
149.09627	7.5
149.13274	15.7
151.11194	3.1
155.08571	2.0
157.10136	4.0
159.11690	18.3
161.13287	6.7
163.11244	4.8
163.14784	2.4
169.10086	3.3
171.11703	4.3
173.04468	3.0
173.13316	8.7
175.14859	1.8
177.12758	4.1
177.16487	1.5
183.11650	2.4
184.07346	22.6
185.13310	3.1
187.14861	3.2
195.12054	1.7
195.13762	6.9
197.13293	2.9
199.14841	1.8
201.16541	2.2
211.14821	1.7
235.70480	1.3
237.80704	1.5
239.18001	3.0
243.21150	4.0
251.16597	1.7
253.18063	1.5
255.15930	14.1
257.19116	5.6
259.20621	2.1
261.22214	9.6
267.15903	2.4
269.17505	35.1
275.20068	28.4
277.21732	2.2
293.21066	1.7
309.20697	1.7
317.24713	4.5
331.22629	2.5
333.24384	2.0
335.25815	100.0
336.26157	3.4
349.23764	20.2
351.25494	2.4
365.21338	1.6
367.24985	3.7
419.24301	1.7
437.34012	1.7
515.37323	17.9
529.38934	74.9
530.38983	4.5
569.41705	4.3
609.45166	20.2
627.46155	6.2
772.69678	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64970	1.4
59.04963	1.3
60.08161	2.8
61.02925	5.0
61.19759	1.4
65.03931	6.4
67.05510	100.0
68.05833	1.5
69.03423	9.5
69.07073	31.7
70.12655	1.6
70.28147	1.6
71.04978	5.6
71.08623	4.9
71.24304	2.9
73.03973	1.4
73.87492	1.4
77.03889	1.9
79.05496	86.5
80.05828	2.3
81.03419	10.8
81.07062	99.8
83.04984	11.6
83.08627	17.2
85.02904	8.0
85.06538	5.1
86.09699	6.9
91.03951	4.1
91.05486	75.1
92.05812	1.6
93.07050	90.4
95.04972	14.8
95.08614	73.8
97.02906	10.2
97.06542	9.9
97.10149	5.5
98.09676	1.9
99.04462	2.0
99.08078	6.5
100.16086	1.5
103.05429	2.8
105.04544	3.9
105.07041	65.3
107.04938	5.0
107.08599	45.1
109.06539	4.2
109.10162	28.4
111.08080	4.9
111.11714	1.6
115.05440	3.6
117.07026	23.9
119.08588	44.9
121.06498	3.7
121.09334	2.3
121.10154	34.5
121.11019	2.0
123.08051	4.2
123.11698	7.2
125.00004	4.9
125.09647	3.5
127.03921	4.0
128.06245	2.6
129.05467	4.6
129.07002	10.4
131.08574	31.5
133.10138	35.7
135.08025	3.6
135.10704	1.9
135.11699	24.9
137.09610	2.9
143.08545	9.3
145.04933	2.2
145.06517	1.9
145.10132	20.4
147.11710	28.8
149.09592	6.0
149.13271	21.9
151.11171	2.4
155.08630	3.6
157.10135	7.7
159.07939	1.5
159.11714	20.2
161.09645	2.5
161.13246	14.1
163.11186	4.9
163.14833	4.3
165.12784	2.1
169.10172	3.2
171.10373	1.7
171.11638	7.1
173.09482	2.2
173.13271	11.4
175.11136	1.9
175.14821	6.3
177.12755	4.0
184.07372	26.2
185.07704	2.9
185.13226	5.0
187.14793	4.0
195.13818	3.4
197.13266	2.0
199.14842	4.8
211.14835	2.8
215.17970	1.8
227.12727	3.7
229.19577	1.6
231.21030	1.9
236.04477	1.5
239.17877	2.0
241.19588	10.1
243.21104	4.9
257.18924	7.8
259.20581	23.9
259.84238	1.5
261.22128	9.6
269.17459	9.9
275.20078	12.2
277.21783	1.8
291.19397	1.8
293.21066	14.5
297.22171	2.0
315.23016	3.9
322.27191	2.0
331.23004	1.9
333.24268	21.3
335.25842	84.4
336.26053	3.0
337.27335	3.0
349.23758	8.2
367.24908	3.8
374.07547	1.6
489.36035	2.1
519.42188	2.4
529.38995	32.3
530.39099	1.9
554.89758	1.9
560.48657	1.9
593.45660	3.2
609.45062	4.2
611.46765	15.9
627.45953	7.1
687.55298	1.6
821.14581	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	824.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	2.2
65.03941	3.9
66.46375	2.7
67.05508	79.8
69.03419	9.2
69.07069	27.0
69.98133	10.5
71.04980	9.2
79.05072	4.3
79.05499	60.6
80.69344	2.0
81.03423	96.2
81.07059	72.8
83.04977	14.2
83.08622	36.2
85.02901	8.8
85.06532	4.7
86.09711	4.5
91.05483	48.6
93.07050	48.7
94.43868	2.4
95.04965	36.2
95.08616	29.9
97.02879	4.2
97.06529	12.4
97.10169	16.1
98.03267	2.3
98.20830	2.7
98.21397	4.9
99.04497	2.0
99.08073	4.9
103.05435	2.7
105.07040	45.4
107.04971	17.2
107.08604	37.2
109.06544	12.1
109.09451	3.7
109.10159	33.9
111.08134	12.2
111.64514	2.1
111.73441	2.4
115.05446	3.1
117.07014	16.8
119.08589	30.2
121.06490	7.7
121.10154	18.3
123.04440	2.9
123.08068	7.8
123.11729	3.6
125.09645	13.9
129.07011	19.6
131.08582	25.1
133.06483	5.5
133.10129	26.2
135.08067	8.1
135.11719	14.3
137.09589	6.7
141.06967	2.6
142.07779	4.5
143.08553	6.6
145.06509	3.0
145.10101	15.0
147.08089	6.9
147.11688	20.1
149.09613	17.5
149.13226	8.0
151.11163	4.3
153.09109	2.5
155.08557	3.2
155.10677	4.4
157.10164	16.1
159.08073	3.1
159.11716	9.5
161.09662	4.5
161.13225	4.1
163.11174	8.6
165.12727	2.9
167.08559	2.7
169.10092	3.8
170.60497	2.2
171.10208	3.2
171.11574	4.5
173.11719	7.0
173.13295	4.9
175.11209	13.8
177.12807	3.7
181.10031	3.4
183.11655	3.0
184.07362	14.1
185.13310	4.2
187.11153	2.6
189.11230	5.7
193.12242	25.3
197.13289	2.4
199.14867	3.1
211.13184	3.5
217.15831	3.2
217.96150	2.4
227.12698	10.4
229.14366	30.7
247.20621	2.4
255.16055	3.5
257.19052	5.1
267.15915	100.0
268.16330	2.3
269.17630	11.0
275.20071	23.1
278.75726	2.2
293.21158	5.3
349.23782	20.0
351.23190	3.4
367.24875	19.9
369.24277	4.3
387.25089	2.9
403.24640	3.2
421.25827	34.6
435.27484	2.6
443.27863	9.8
447.27649	11.1
449.29810	3.5
461.29013	60.2
465.28629	15.9
467.31470	3.6
475.30325	4.0
479.29965	4.7
493.31696	28.9
503.29990	3.9
541.35333	50.3
542.35699	2.6
559.36279	57.7
560.37219	2.7
573.37708	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	822.5855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
58.06356	0.3
58.06612	0.3
60.08167	6.0
62.93960	0.1
65.91570	0.1
67.05507	3.2
69.03437	0.3
69.07072	1.8
69.68518	0.8
71.05009	0.2
71.07374	3.5
79.05496	2.6
81.03419	0.3
81.07059	2.8
83.05002	0.3
83.08601	0.8
84.08216	0.2
85.02881	0.2
85.06593	0.2
86.09708	30.9
87.10043	0.5
91.05488	2.2
93.07047	2.4
95.04953	0.9
95.08604	2.3
97.02885	0.4
97.06551	0.5
97.10158	0.7
98.98473	3.6
98.99114	0.2
104.10748	2.8
105.07023	1.3
107.04955	0.4
107.08599	1.8
109.06502	0.3
109.10141	1.0
111.08101	0.2
112.32331	0.2
117.07015	0.5
119.08571	1.2
120.59783	0.1
121.06518	0.4
121.10136	0.9
123.08066	0.3
123.11710	0.3
125.00009	21.2
125.09650	0.5
129.07001	0.2
131.08572	0.6
133.06540	0.3
133.10132	0.9
135.08049	0.4
135.11694	0.5
143.08546	0.3
145.10118	0.5
147.08040	0.3
147.11693	0.4
149.09647	0.3
149.13269	0.3
151.11195	0.3
157.10141	0.2
159.11710	0.4
161.09633	0.2
161.13266	0.2
163.11217	0.2
163.14796	0.2
171.11687	0.2
175.11086	0.2
184.07344	100.0
185.07692	0.8
189.11154	0.3
199.66260	0.2
202.15924	0.3
205.12247	0.2
223.13272	0.8
227.12790	0.5
227.17944	0.2
249.14783	0.2
253.14218	0.2
256.50510	0.2
261.22144	0.6
273.18491	1.4
291.19531	5.5
292.19907	0.2
300.13666	0.2
335.25800	4.1
336.26340	0.3
347.22110	0.5
365.23224	3.1
496.33484	0.2
569.39105	0.2
607.43018	0.4
625.44653	3.2
626.44495	0.2
650.43579	0.3
704.48517	2.5
754.52783	0.5
772.43988	0.2
772.54730	1.7
786.55316	0.4
790.54926	0.7
804.57330	0.3
822.58582	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.4
60.08153	2.1
61.56831	1.7
65.03928	3.7
67.05509	52.9
68.05828	2.1
69.03407	5.0
69.07081	15.4
69.42676	14.7
71.04968	1.9
79.05071	3.1
79.05495	44.1
81.03417	3.7
81.06594	2.9
81.07063	51.6
82.07381	3.2
83.04974	5.4
83.08620	10.8
85.02916	3.1
85.06541	2.5
86.09743	8.4
86.10177	2.0
86.36838	1.6
91.05488	54.6
93.06481	3.1
93.07047	42.2
95.04947	5.4
95.08060	3.3
95.08612	37.7
97.06518	4.3
97.10150	6.5
98.20783	3.8
103.05476	4.2
105.04482	2.2
105.07037	40.2
107.04963	3.1
107.08600	20.9
108.08940	1.8
109.06513	5.3
109.10162	13.5
111.08089	3.6
115.05457	6.1
116.06201	2.2
117.07038	25.3
119.08591	26.3
121.06490	4.7
121.10150	14.9
123.08085	2.5
123.11742	1.9
124.99967	4.1
125.09641	3.2
128.06223	14.1
129.07001	15.6
130.07780	5.5
131.08585	44.3
133.06499	4.1
133.10127	16.1
135.08049	3.2
135.11690	8.0
139.11143	2.7
141.06987	7.4
142.07739	4.3
143.08565	49.5
145.06421	2.1
145.10133	51.7
145.11282	2.9
147.08066	5.4
147.11696	6.3
149.09624	3.3
149.13266	3.8
154.07782	2.3
155.08479	4.9
157.10135	12.0
159.08032	2.6
159.11700	8.4
161.09607	6.0
161.13261	3.9
163.11145	2.7
167.08583	2.5
169.10152	9.3
171.11700	12.6
173.13249	3.8
175.11179	5.0
180.09297	2.1
181.10104	5.4
183.11711	5.4
184.07355	25.9
185.13258	5.1
195.11714	11.0
199.11163	2.1
199.14856	2.9
213.12743	3.0
222.51236	1.8
227.17958	4.8
237.16406	10.1
241.14391	2.8
245.18987	3.1
255.17430	12.9
257.19022	2.7
261.22208	4.2
267.54037	1.9
273.18500	40.2
275.20013	2.7
291.19312	2.4
329.21057	7.9
335.25827	100.0
336.25949	5.4
347.22183	26.8
420.24515	1.8
448.44104	1.8
607.43567	57.6
608.44025	3.5
625.44751	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	822.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	13.1
57.07091	3.0
60.76780	1.9
65.03954	5.5
67.05510	71.0
69.03428	6.2
69.07082	21.6
69.35076	6.8
69.35496	10.6
71.05003	4.0
73.02933	2.3
73.36224	1.8
79.05497	65.4
81.03430	6.8
81.07056	71.8
82.07404	3.2
83.04985	4.5
83.08626	13.3
85.06544	3.8
86.09715	6.2
91.05489	85.7
92.05798	2.9
93.07048	56.8
95.04970	8.6
95.08000	2.9
95.08611	57.8
97.06532	7.9
97.10196	12.0
99.39617	2.1
103.05495	3.3
103.27420	2.1
105.07033	62.4
105.07688	4.4
106.07391	2.4
107.04955	6.1
107.08601	32.1
107.84624	2.6
109.06524	6.4
109.10155	17.7
111.08060	3.0
115.05471	9.0
116.06263	3.5
117.07019	42.2
119.08591	44.0
121.06511	7.2
121.10146	18.5
123.08073	5.6
123.11674	3.5
125.00007	5.2
125.09646	6.6
126.00964	2.2
127.03936	2.4
128.06227	22.0
129.07008	30.2
130.07872	11.6
131.08580	82.1
133.06496	4.7
133.10133	26.0
135.08040	6.0
135.11673	12.8
137.09808	2.6
139.11183	3.4
141.06985	11.2
142.07793	7.2
143.08569	100.0
144.09232	2.8
145.06477	6.1
145.10133	98.6
147.08083	8.3
147.11708	7.5
149.09628	4.0
149.13309	3.1
151.07520	2.2
154.07762	2.4
155.08556	8.9
157.10150	20.1
159.08109	6.1
159.11688	23.6
161.09613	10.9
161.13242	6.2
163.11157	4.8
165.07094	3.1
167.08577	4.7
169.10161	19.7
171.11707	16.4
173.09587	2.6
173.13254	5.3
175.11174	4.1
175.14812	2.6
177.12738	3.3
181.10126	13.4
183.11757	9.3
184.07324	24.0
185.13206	5.3
187.11081	3.3
193.12195	3.0
195.11694	19.9
197.13297	2.8
201.12811	2.4
209.13249	3.7
213.12727	4.4
227.12665	2.7
227.17938	3.6
229.14589	2.7
237.16414	24.5
241.14293	3.4
245.19090	2.9
255.17500	19.5
259.20776	3.1
261.22202	6.1
271.16940	3.7
273.18506	71.8
275.20163	3.1
306.61011	2.4
317.24899	2.6
329.21136	9.8
335.25821	80.8
336.26114	5.8
347.22205	50.5
348.22589	2.3
448.15723	2.2
507.49344	2.1
516.27142	2.6
589.42346	3.4
607.43555	83.9
608.43665	6.5
625.44556	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.2
61.02901	2.0
63.14049	1.9
65.03953	4.5
67.05509	54.3
69.07070	32.2
69.32552	16.1
71.05006	3.3
79.05148	1.2
79.05498	45.9
81.03426	10.8
81.07058	57.9
83.04991	7.2
83.08617	9.1
85.06565	2.4
86.09721	7.0
89.99029	1.8
91.05486	77.3
93.07052	55.5
95.01337	8.2
95.04958	10.9
95.08615	42.5
95.22187	2.0
97.06530	19.5
97.10187	4.9
98.20744	2.5
99.04504	2.4
99.08106	2.5
103.05508	4.1
105.04520	2.8
105.07040	100.0
105.34354	2.1
107.04948	15.1
107.08591	25.7
109.06512	3.1
109.10171	13.6
111.08098	2.8
117.07021	19.9
119.08590	52.0
121.06538	2.4
121.10162	13.4
123.08088	4.5
123.11726	2.7
125.00023	4.3
128.06226	2.6
129.05504	2.9
129.07013	6.8
131.08585	28.1
133.06534	3.5
133.10139	49.9
135.08092	4.3
135.11667	13.3
137.09726	3.0
143.08554	8.9
145.10149	23.0
147.11700	22.7
149.09669	6.2
149.13284	7.2
151.11166	2.0
155.08592	2.2
157.10156	7.2
159.11685	16.2
161.09731	3.3
161.13251	17.1
163.11217	5.0
171.11745	9.3
173.13309	8.0
175.11273	3.9
175.14880	5.7
177.12723	2.5
179.14267	10.1
183.11705	3.1
184.07368	16.4
185.07626	3.4
185.13307	2.9
187.11137	2.7
187.14793	3.7
197.13281	2.7
219.17557	2.1
241.19511	18.3
257.19101	5.8
259.20572	21.5
275.20093	50.8
276.20511	2.0
293.21161	3.5
315.23099	9.7
333.24261	52.0
349.19577	1.4
349.23727	40.3
469.02542	1.9
607.43597	80.8
608.43567	5.3
625.44977	10.3
723.29761	2.2
817.31116	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	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	8.8
57.07060	2.2
65.03937	5.5
67.05508	100.0
69.03419	5.8
69.07068	23.9
71.04999	8.1
71.29479	2.2
79.05495	67.0
81.03415	4.6
81.07061	88.8
83.04983	12.5
83.08625	10.5
85.02901	2.2
85.06558	8.2
86.09712	10.7
91.05486	64.9
93.07050	63.2
95.04977	11.5
95.08613	43.8
97.02881	1.5
97.06532	5.5
97.10158	2.4
98.98463	1.9
99.04475	1.9
105.04484	2.2
105.07036	56.0
107.04961	7.1
107.08599	48.7
109.06503	7.9
109.10161	62.7
111.04479	1.6
111.08072	3.8
113.06006	2.2
113.12820	1.5
115.05463	2.3
117.07043	9.4
119.04985	1.6
119.08595	19.5
121.06523	7.5
121.10149	19.2
123.04430	2.1
123.08069	4.9
123.11720	10.1
124.99963	7.5
125.09627	2.2
127.07597	2.7
129.07021	3.8
131.08572	16.3
133.06496	3.2
133.10139	67.5
135.08069	5.7
135.11705	12.2
137.09602	2.8
139.07491	1.9
143.08591	5.8
145.10152	10.0
145.88075	1.5
147.08049	2.4
147.11714	9.1
149.09602	5.5
149.13278	6.1
151.11186	29.0
153.12823	2.0
157.10123	3.9
159.11688	5.0
161.09618	5.4
161.13277	3.9
163.11182	1.6
163.14818	2.0
169.12244	5.2
171.11699	3.4
173.13322	3.1
175.11217	2.7
175.14787	2.4
177.09073	1.5
177.12759	1.5
179.10664	2.1
184.07359	25.7
185.07674	2.0
185.13237	2.2
211.14687	1.4
215.12752	3.3
217.85791	1.3
227.17781	1.7
237.16760	1.5
243.21103	2.6
245.19025	4.6
253.14363	90.9
254.14621	1.8
255.17554	3.9
261.22137	11.1
263.19803	3.2
271.15189	1.7
273.18536	23.6
291.19531	22.7
297.21762	1.3
309.20572	2.9
317.24789	2.3
333.24332	2.0
335.25818	88.9
336.26157	2.3
347.22281	9.1
356.24362	1.7
365.23221	26.3
416.08466	1.5
424.71445	1.7
439.31760	2.2
513.35724	5.3
531.36829	35.0
607.43506	4.6
625.44598	53.8
626.44873	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	822.5369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	8.6
57.07069	2.8
60.08150	6.1
62.75909	1.2
65.03928	5.5
67.05509	71.5
69.03423	4.4
69.06741	1.3
69.07078	20.6
70.91467	2.3
71.04988	4.4
71.07384	2.2
71.08606	1.9
79.05496	50.2
81.03416	7.4
81.07063	68.9
83.04997	11.2
83.08620	7.3
85.02887	1.6
85.06533	5.6
86.09219	2.4
86.09714	28.7
91.05486	54.1
93.07051	50.8
94.28970	1.3
95.04965	9.7
95.08609	30.8
96.44710	1.2
97.06523	4.0
97.10181	3.1
98.06073	1.3
98.98491	2.2
103.05509	2.5
104.10757	2.7
105.04498	2.0
105.07036	41.8
107.04971	6.4
107.08600	33.9
109.06516	6.0
109.10162	40.2
111.04430	1.8
111.08076	3.2
117.07032	9.7
119.08572	17.8
121.06512	6.6
121.10159	15.3
123.08079	4.7
123.11723	8.1
125.00014	18.9
125.09614	3.6
129.06985	5.5
131.08586	16.5
133.06496	4.2
133.09122	2.4
133.10141	49.9
135.08040	6.9
135.11705	9.8
137.05937	1.4
137.09586	2.3
138.55133	1.4
143.08562	4.2
145.06467	1.7
145.10156	10.2
147.08029	4.2
147.11676	5.8
149.09656	6.8
149.13249	5.0
151.11195	24.2
155.08534	1.9
157.10123	4.0
159.08080	3.0
159.11702	4.9
161.09592	6.7
161.13229	2.8
163.11243	2.3
163.14824	1.5
169.12335	6.2
171.11659	3.6
173.13274	3.6
175.11154	3.8
177.09125	2.3
177.12733	1.7
179.10684	2.0
181.10146	1.6
184.07356	100.0
185.07672	2.1
187.14801	2.5
207.13875	1.3
213.16452	1.6
215.12750	3.6
223.13257	2.6
227.17807	1.6
243.21033	2.3
245.19023	5.8
251.12805	2.4
253.14377	60.3
255.17683	2.2
261.22144	8.7
263.20029	4.1
273.18500	29.5
286.91983	1.3
289.18124	1.7
291.19543	30.4
300.13593	1.9
309.20691	2.6
320.25711	2.2
333.24884	1.4
335.25830	47.0
347.22214	10.4
365.23267	38.0
421.30750	1.4
513.35352	5.5
529.35266	2.3
531.36969	10.5
607.43256	6.0
625.44708	59.5
626.44769	2.8
650.43475	1.8
822.51849	1.6
823.51025	2.9
852.20551	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	6.6
57.07069	1.2
60.08155	2.8
65.03932	1.9
67.05508	51.0
69.03433	8.0
69.07074	30.6
71.04984	3.1
71.07357	2.2
76.91976	0.8
77.03928	0.8
79.05497	39.8
81.03420	6.5
81.07060	41.7
82.07417	1.0
83.04973	2.2
83.08627	10.3
85.02907	2.1
85.06540	2.0
86.09709	11.9
91.05487	24.6
93.07047	36.8
95.04975	7.8
95.08610	29.6
97.02899	10.1
97.06522	3.1
97.10164	12.9
98.98460	1.7
103.05475	0.9
104.10732	1.4
105.04499	1.5
105.07032	18.2
107.04962	6.0
107.08601	19.0
109.06522	2.8
109.10165	12.8
111.08100	3.1
115.05447	1.4
116.06210	0.9
117.07037	7.6
118.77048	0.7
119.04954	0.9
119.08587	15.6
121.06508	2.9
121.09331	1.2
121.10143	13.3
123.08069	3.3
123.11710	2.4
125.00008	7.9
125.09637	9.0
129.06995	3.4
131.08577	12.7
133.06496	2.4
133.10139	7.8
135.08038	3.3
135.11711	5.8
137.09596	2.4
139.11234	1.0
142.07689	0.8
143.08566	3.0
145.06490	1.3
145.10133	6.7
147.08058	6.9
147.11662	3.5
149.09607	1.8
149.13251	4.1
151.11215	1.1
153.09094	0.8
157.10129	2.4
159.11723	4.4
161.09633	3.3
161.13269	2.8
163.11169	1.8
163.14822	0.8
165.09103	1.0
169.10199	1.4
171.11742	1.4
171.93814	0.9
173.13287	2.4
175.11188	1.9
175.14819	1.2
177.12784	1.5
184.07349	44.5
185.13280	1.3
187.11206	0.8
187.14873	1.1
189.11238	4.4
193.12282	1.1
195.13887	0.9
199.14854	1.2
202.15906	0.8
205.12206	1.8
211.13268	1.2
223.13322	17.2
227.12793	2.9
227.18002	0.8
243.21054	2.0
245.18953	1.4
249.14911	3.1
255.17392	1.5
261.22226	5.8
263.20062	1.3
273.18503	11.8
273.21344	1.4
291.19556	100.0
292.19894	2.3
317.24808	1.8
320.25769	0.8
335.25806	63.0
336.26196	1.4
347.22040	1.3
365.23245	50.7
366.23578	1.4
385.59906	0.9
387.20621	0.9
431.49210	0.7
545.38293	3.0
607.43683	1.7
625.44604	56.3
626.45294	3.7
704.49103	1.2
734.64777	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	23.6
57.07078	3.7
59.05003	5.8
61.02926	6.1
65.03936	5.2
67.05510	100.0
67.38205	1.0
68.05832	2.6
69.03429	11.4
69.07075	14.2
69.41759	8.7
71.01357	3.3
71.04997	6.4
73.02929	6.2
79.05497	46.8
80.05789	1.2
81.03427	29.6
81.07060	45.3
82.04193	3.2
82.07396	1.4
83.04989	16.0
83.08616	21.6
83.09066	2.1
85.02914	15.3
85.06532	3.3
86.09698	2.0
87.04483	6.5
91.05486	27.7
93.07050	27.5
95.04968	19.2
95.08607	17.6
97.02887	9.5
97.06535	9.0
97.10177	27.6
98.07306	3.5
99.04462	2.8
99.08100	2.8
103.03961	1.9
105.04537	1.5
105.07039	11.4
107.04972	8.1
107.08599	25.1
109.02885	2.3
109.06521	5.2
109.10162	63.0
110.10487	1.5
111.04457	3.9
111.08083	7.7
113.78544	1.3
116.04689	6.8
117.07024	8.1
119.08591	15.3
120.93260	1.2
121.06516	3.7
121.10139	8.8
123.04373	1.3
123.08064	7.6
123.11684	2.1
125.00034	1.3
125.06001	1.6
125.09645	28.6
127.03928	1.5
129.05496	21.2
129.07024	4.1
131.08571	7.3
133.10141	6.4
135.08037	4.3
135.11679	7.8
136.08875	1.3
137.09660	6.4
139.11217	1.8
143.07043	4.9
143.10672	3.1
145.10106	9.3
147.08009	3.2
147.11696	4.5
149.02313	2.4
149.09628	3.4
151.11180	1.3
153.12740	5.6
155.10648	7.8
157.08617	10.7
157.10106	3.3
159.11710	1.5
163.11191	15.3
171.06569	2.0
171.10150	3.2
173.04462	2.1
173.09596	2.9
173.11760	22.1
175.11180	3.1
181.12216	4.7
184.07326	8.2
185.08081	1.4
189.11266	4.7
191.10681	5.7
193.12280	8.4
199.13312	15.5
200.14009	1.8
200.81349	1.3
209.11732	15.4
210.12474	1.8
211.13281	3.4
217.14340	2.5
227.12787	15.9
228.23233	1.8
229.14365	50.3
230.14786	2.4
255.15854	3.2
265.14404	2.1
267.15948	7.8
269.17310	2.3
283.15421	14.2
291.19467	2.3
292.19873	3.5
301.16467	44.2
371.24457	6.2
372.85837	1.3
383.24188	7.9
399.23767	16.5
402.88443	1.2
421.25821	2.5
437.25421	4.3
438.26047	2.6
455.26395	14.0
465.36417	1.2
509.27405	3.9
520.33441	1.4
521.33850	1.6
527.28540	7.2
541.33765	3.8
545.29785	2.8
553.33588	4.7
607.35370	3.0
625.35608	12.3
754.23529	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.485
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	10.1
57.07073	3.5
59.05005	4.5
61.02928	3.3
62.32624	1.0
65.03942	2.8
67.05508	100.0
68.05838	1.2
69.03429	4.1
69.07069	9.9
71.01359	1.6
71.05000	19.6
72.77335	0.8
73.02919	2.4
79.05498	29.2
81.03428	10.3
81.07061	75.6
82.07384	1.7
83.04979	8.6
83.08624	14.7
85.02911	12.1
85.06554	8.9
86.09717	2.2
86.20438	0.8
87.04471	3.7
91.03981	1.8
91.05485	27.4
93.07047	20.8
95.04986	6.5
95.08055	1.5
95.08614	16.3
97.02892	4.3
97.06532	6.2
97.10188	14.1
99.04498	1.3
99.08108	1.5
101.02357	0.9
101.06032	0.9
103.03958	1.2
105.04572	1.0
105.07040	13.6
107.04947	3.7
107.08600	19.0
109.02891	1.0
109.06524	3.3
109.10162	56.8
110.10514	0.9
111.04452	2.1
111.08089	3.3
113.00756	0.7
117.07015	4.3
119.08574	9.0
121.06487	0.9
121.10139	6.9
123.08073	1.9
123.11721	11.7
125.00018	1.4
125.09645	14.2
129.05457	1.7
129.06999	2.0
131.08591	5.5
133.10138	12.3
135.08102	1.8
135.11702	5.1
137.09644	2.7
139.11183	1.1
143.10643	1.0
145.06590	0.8
145.10106	4.1
147.08087	1.2
147.11670	2.5
149.09630	3.2
149.13277	4.5
151.11188	5.1
153.12762	3.0
155.10684	5.8
157.10194	1.0
159.11719	3.4
159.22787	0.8
163.11189	7.5
169.12231	1.9
171.06503	1.0
171.11732	1.0
173.09651	1.0
173.10115	1.0
173.11749	12.4
175.11168	1.6
177.12770	2.6
181.12228	1.9
183.13852	2.3
184.07324	5.2
187.13329	4.8
191.10638	2.0
193.12271	3.1
195.13837	2.1
197.11632	0.8
199.13258	4.8
201.14732	1.1
209.11769	5.4
227.12708	5.2
229.14348	31.7
243.15959	2.6
246.78795	0.8
255.15817	1.4
257.13873	1.6
257.17450	2.3
267.15958	2.9
269.17493	6.3
275.20087	1.6
276.20364	1.6
283.15427	3.2
297.17035	1.7
301.16467	5.6
301.20135	15.9
349.23801	1.0
367.24850	2.9
373.18573	3.7
383.24237	2.9
397.25858	33.7
398.25436	1.1
399.23718	7.4
411.27374	3.4
423.27390	3.3
425.28964	1.3
433.26257	1.1
435.27338	2.0
443.29965	1.0
451.26968	3.9
455.30234	10.7
469.28088	7.7
495.29581	1.7
527.27887	4.1
544.36823	1.1
567.35339	36.9
568.35065	1.6
581.36157	1.2
593.36920	5.3
625.39526	39.5
626.39899	3.3
812.79224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	15.3
57.07070	1.5
59.04992	3.7
59.38486	1.2
61.02922	4.7
65.03926	4.2
67.05508	100.0
68.05818	2.5
69.03439	6.9
69.07071	15.4
71.01352	1.5
71.04726	1.1
71.05004	12.2
71.07386	1.6
71.51208	1.1
73.02914	3.3
79.05499	35.9
79.17021	1.5
80.05836	2.7
81.03417	15.9
81.07061	60.7
82.07402	2.9
83.04996	7.8
83.08633	15.0
85.02914	16.4
85.06550	6.4
86.09695	4.6
87.04468	5.9
90.75721	1.8
91.03938	2.4
91.05488	27.1
92.05807	2.3
93.06480	2.4
93.07047	26.1
94.07388	2.5
95.04953	7.1
95.08607	19.6
97.02897	6.6
97.06535	8.6
97.10175	18.2
99.08097	1.9
105.07027	18.4
106.07389	1.8
107.04967	5.4
107.08595	18.2
109.02853	1.6
109.06522	5.0
109.10161	64.2
110.10522	1.5
111.04465	1.6
111.08089	5.8
113.05989	2.0
117.07037	7.9
119.08582	14.2
121.06533	1.8
121.10152	9.7
123.08063	2.2
123.11696	5.1
124.99989	2.5
125.09631	16.5
129.05499	1.6
129.07014	3.0
131.08588	8.2
133.10139	11.6
134.10420	1.6
135.08043	2.4
135.11636	6.3
137.09607	4.5
140.15836	1.3
143.08513	2.2
143.10689	3.2
145.10110	10.3
147.08063	2.8
147.11670	2.0
149.09633	3.1
149.13268	2.1
151.11174	3.7
153.12694	3.2
154.49258	1.6
155.08652	1.6
155.10637	6.3
157.10123	2.4
159.11737	4.1
161.09599	1.5
163.11237	11.3
165.50490	1.3
173.09595	2.0
173.11775	18.8
173.13225	2.2
177.12750	1.9
181.12296	3.8
184.07359	17.1
189.11333	1.8
191.10721	2.1
193.12213	2.1
199.11548	1.5
199.13367	5.6
209.11681	6.8
221.13379	1.4
227.12819	5.8
229.14359	45.4
243.15921	1.3
245.13998	1.7
257.13943	1.9
267.16022	3.7
269.17584	5.7
270.17899	2.3
275.20148	6.0
276.20422	3.6
283.15414	2.9
285.91254	1.5
301.16364	7.2
301.20090	6.5
329.15686	1.3
349.23849	5.7
350.24063	4.9
358.38693	1.6
367.24802	1.5
373.18600	6.0
383.24252	5.5
397.25827	11.3
399.23779	2.9
455.30136	2.2
469.27792	3.8
527.28101	6.2
543.36414	2.4
544.37335	4.5
562.37769	1.6
567.35205	12.6
625.39667	11.8
642.44611	2.1
643.36896	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	13.8
57.07051	3.7
60.08180	1.9
61.02917	7.0
65.03947	6.6
67.05508	100.0
69.03417	11.7
69.07070	34.2
69.44602	7.7
69.45029	8.0
71.04990	11.6
71.08604	2.5
73.02934	2.2
79.05497	73.2
79.63564	1.9
81.03426	20.8
81.07060	92.6
83.04992	14.6
83.08633	13.6
85.02916	11.1
85.06538	6.3
85.62537	1.9
86.09695	3.4
91.03961	3.9
91.04906	3.5
91.05484	65.5
93.07050	60.9
95.04977	14.7
95.08612	46.7
95.23101	1.9
97.02897	8.4
97.06536	22.1
97.10186	14.3
99.04459	2.1
99.08091	4.3
105.04521	2.2
105.07040	58.7
106.07381	2.1
107.04973	16.6
107.08607	46.6
109.02870	2.9
109.06545	14.9
109.10153	31.3
111.04430	3.7
111.08089	10.7
115.05473	2.6
117.07030	25.4
119.08589	44.8
121.06504	8.5
121.10152	23.8
123.04434	2.5
123.08050	7.9
123.11723	7.1
125.00030	2.9
125.09653	10.3
127.03934	5.7
128.06215	3.6
129.07004	9.2
131.08583	26.8
133.06485	2.8
133.10133	37.3
135.08086	11.0
135.11685	16.3
136.08315	2.1
137.09607	5.8
141.07005	3.2
142.07761	2.7
143.08525	8.6
144.09143	2.2
145.06529	2.6
145.10135	24.9
147.08008	3.7
147.11684	17.9
149.09639	13.4
149.13269	11.2
151.11192	6.4
153.09116	2.6
155.08553	5.2
157.10120	8.9
159.08098	3.1
159.11684	21.4
161.13261	6.5
163.11176	6.6
165.12755	4.7
169.10156	7.6
171.10300	2.7
171.11708	8.8
173.09624	4.1
173.11838	3.9
173.13255	6.2
175.11253	3.5
177.12720	7.9
183.11745	5.4
184.07372	9.5
185.13324	4.2
187.11151	3.7
189.11269	5.9
193.12180	2.9
195.13831	5.8
197.13385	2.8
199.14816	2.6
227.12735	14.0
229.14368	9.4
229.19466	4.6
239.18031	3.1
245.13867	2.3
247.20549	5.4
257.19009	8.9
267.16135	3.9
269.17511	22.1
273.18436	2.8
275.20074	68.4
291.19577	5.8
293.21082	6.7
299.20200	3.0
331.22885	3.7
349.23779	43.2
367.24765	8.5
371.25952	2.2
397.25876	4.3
401.13263	2.5
463.30667	7.5
525.35626	3.8
529.35382	3.2
543.36804	32.5
544.37115	2.6
561.37811	8.8
597.38159	2.3
623.42926	14.6
624.43567	2.3
625.39343	4.5
641.44177	14.0
659.45007	7.5
687.40588	4.3
705.41595	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	821.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	15.9
61.02925	5.7
64.57405	2.1
65.03941	4.8
67.05508	95.3
67.11889	2.0
68.40318	2.2
69.03424	14.5
69.07073	27.2
70.16185	9.0
71.01342	2.4
71.04980	6.2
73.02900	2.2
77.01222	1.9
77.06902	1.8
79.05500	60.0
79.69843	2.1
81.03413	19.8
81.07061	100.0
82.07384	3.7
83.04995	14.6
83.08627	16.3
85.02898	9.8
85.06538	3.8
86.09756	2.0
91.05485	67.7
93.06484	3.9
93.07046	61.3
94.07403	2.1
95.04985	13.9
95.08610	44.5
97.02871	6.9
97.06533	14.7
97.10151	10.3
99.08074	3.9
103.05460	2.3
105.07032	55.2
106.07323	2.9
107.04984	12.6
107.08601	43.1
109.02870	3.4
109.06512	14.3
109.10159	28.5
110.99818	2.2
111.04489	2.9
111.08071	7.2
115.05459	2.3
117.07026	25.1
119.08578	41.6
121.06535	7.0
121.10133	22.7
123.08074	6.7
123.11732	5.3
125.09654	10.7
127.03887	3.8
128.06226	4.1
129.05478	2.3
129.06993	9.2
131.04994	2.5
131.08563	26.3
133.06514	4.4
133.10133	35.6
135.08044	8.5
135.11679	12.4
137.09630	7.3
139.11133	2.7
141.07011	3.2
143.08612	12.3
145.06483	2.6
145.10150	21.0
147.08032	3.1
147.11719	15.1
149.09622	10.4
149.13258	12.7
151.11177	7.7
155.08636	5.0
155.10672	2.7
157.10104	10.1
159.11694	16.1
161.09650	3.1
161.13243	6.3
163.11162	10.1
165.12758	5.3
169.10101	5.8
171.11674	4.8
173.09572	4.1
173.11789	5.4
173.13271	7.6
175.11157	4.0
177.12773	5.8
177.16447	2.5
181.10164	4.9
183.11679	4.8
184.07335	11.9
185.13220	4.2
187.11140	4.1
189.11180	3.8
191.10623	2.6
193.12364	3.6
195.13795	5.1
197.13364	4.4
227.12807	9.5
229.14307	11.0
229.19539	4.2
235.52055	2.3
239.17963	4.3
247.20496	4.6
253.14333	8.4
255.15894	2.3
257.18985	9.8
267.15997	4.9
269.17535	27.7
273.18274	3.2
275.20084	57.5
293.21054	5.4
297.16705	3.2
301.16434	3.4
313.21698	2.7
349.23795	36.5
367.24890	5.1
383.22308	2.3
395.19614	2.9
445.29846	2.8
463.30606	10.6
513.36469	2.8
525.35645	3.1
543.36853	37.3
547.38055	2.7
561.37744	5.3
623.43195	5.4
641.44238	10.7
659.45044	5.9
705.41614	2.9
844.58966	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	821.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	1.9
57.03438	20.0
57.07083	1.6
59.04982	1.4
61.02932	73.0
64.51317	1.3
65.03931	2.7
67.05511	43.9
69.03093	2.1
69.03436	29.3
69.07075	10.5
71.01352	4.7
71.05009	7.0
71.51488	2.3
73.02922	23.1
79.05068	2.1
79.05497	28.2
81.02990	2.0
81.03427	26.8
81.07056	39.7
82.07361	1.5
83.04972	6.1
83.08615	7.2
85.02911	100.0
85.06528	2.7
86.09711	2.2
87.04463	4.3
89.74310	1.2
91.03960	59.9
91.05492	22.3
93.07051	28.8
95.04971	7.9
95.08611	26.9
97.02899	74.5
97.06541	4.1
97.10145	4.3
99.00818	1.6
99.04462	13.9
99.08068	2.1
101.02376	6.3
103.03950	11.9
105.07038	14.9
106.07304	1.9
107.04940	4.2
107.08604	18.7
109.02887	13.0
109.06527	3.0
109.10147	19.9
111.04434	5.3
111.08105	2.0
115.03922	4.9
117.05507	3.6
117.07016	5.4
119.08592	12.3
121.06524	3.0
121.10146	12.9
123.08062	2.4
123.11709	5.2
125.00014	2.2
125.09625	3.7
127.03926	34.8
128.06227	1.5
129.05482	5.7
129.07016	3.6
131.08548	11.0
133.06494	1.8
133.10149	9.7
135.11670	10.5
135.47250	1.5
137.09627	1.8
141.07016	2.2
143.08530	2.0
145.03934	2.0
145.04976	31.3
145.10150	9.5
147.08054	1.6
147.11674	6.3
149.02286	2.5
149.09665	2.7
149.13266	7.6
155.08568	1.7
157.10098	2.0
159.06506	3.1
159.11702	7.2
161.13254	5.3
163.06017	18.9
163.11191	3.8
163.14798	3.7
169.10091	2.0
171.06541	2.6
171.11661	3.3
173.11813	2.8
173.13261	7.5
175.14764	3.5
183.06531	8.2
184.07368	7.8
185.13277	2.8
187.14836	3.7
192.22879	1.3
193.05031	1.7
193.12239	2.4
199.14647	1.9
201.05861	1.4
201.07523	8.0
209.11665	1.5
213.12651	1.6
227.12762	1.8
229.14313	4.2
243.20998	4.0
259.20511	2.0
261.22128	14.7
277.21582	2.2
283.15485	3.1
285.22086	2.4
301.16708	2.4
303.23227	2.8
315.23041	2.9
317.24564	1.8
327.23087	2.6
333.24362	2.0
335.25836	57.6
336.26236	2.0
345.24396	1.8
349.23941	1.6
351.23193	2.6
353.26822	3.1
363.25247	3.8
369.24332	4.2
377.26837	3.9
405.26022	1.9
443.27771	4.3
461.28745	4.6
479.30118	9.8
497.30768	3.7
822.36340	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	821.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.3
57.07059	1.1
60.08160	5.9
61.02925	1.2
65.03935	2.1
67.05510	33.6
69.03428	4.5
69.07077	8.2
71.01343	2.2
71.04975	2.5
71.07362	4.8
71.51485	1.1
79.05496	21.2
81.03420	14.5
81.07063	26.0
83.05003	6.6
83.08630	5.7
85.02915	2.8
85.07618	1.2
86.09710	31.4
87.10048	3.5
91.04977	1.8
91.05489	20.5
93.07047	17.2
95.04984	10.5
95.08611	18.0
97.02880	5.0
97.06521	3.9
97.10171	4.3
98.98458	4.7
104.10729	1.8
105.07037	12.2
107.04965	7.7
107.08603	12.7
109.02890	2.6
109.06544	5.6
109.10162	15.4
111.04434	2.4
111.08101	1.5
117.07000	8.2
119.04994	1.5
119.08586	13.5
121.06518	2.8
121.10130	6.1
122.07252	2.4
123.08064	2.3
123.11729	2.1
125.00026	23.7
125.09636	3.0
127.03926	2.6
128.06201	2.2
129.07019	2.9
131.08583	7.3
133.06503	2.4
133.10176	6.2
135.08087	3.0
135.11694	4.7
137.09653	1.4
139.66112	1.1
141.07034	2.0
142.07768	1.6
143.08586	3.3
145.06483	2.3
145.10132	4.5
147.08022	4.2
147.11673	4.0
149.09628	1.8
151.07570	1.3
157.10110	2.7
159.08051	2.0
159.11699	3.2
161.09650	2.8
161.13364	1.9
163.11177	2.7
171.11694	1.4
173.04422	5.0
173.09616	1.7
173.13278	2.3
177.05113	1.1
184.07356	100.0
185.07722	12.9
185.09222	1.9
187.14830	1.4
227.12833	5.9
229.14397	3.2
233.15453	2.0
261.22208	3.0
271.16904	5.3
273.18576	2.1
289.17941	4.4
290.18945	2.7
307.19009	2.0
313.27225	1.3
314.27548	2.2
335.18845	1.4
335.25830	18.7
336.26208	2.5
363.21829	1.2
381.22678	3.8
512.48016	1.3
584.60486	1.3
595.39441	1.4
624.43030	4.6
625.44196	1.8
641.44232	15.1
643.35120	1.3
821.53027	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
57.07079	0.9
58.06337	0.2
58.06630	0.4
60.08167	6.1
61.02887	0.2
67.05512	3.2
69.03456	0.2
69.07072	1.0
69.16853	0.4
69.17253	1.4
71.05005	0.3
71.07380	3.6
71.08627	0.6
74.09719	0.2
79.05495	2.2
81.03429	0.3
81.07061	3.0
83.08625	1.1
85.10183	0.6
86.09711	30.5
87.10025	0.2
91.05494	1.6
93.07053	1.9
95.04979	0.3
95.08618	2.0
97.06560	0.2
97.10174	0.9
98.98471	3.5
98.99121	0.2
104.10757	2.5
105.07027	0.9
107.04948	0.2
107.08591	1.4
109.06496	0.2
109.10178	1.8
111.08099	0.3
117.07029	0.7
119.08585	4.2
121.10137	0.9
123.08047	0.2
123.11752	0.2
125.00014	20.4
125.09630	0.8
128.71606	0.2
129.07016	0.3
131.08580	0.7
133.02234	0.2
133.06512	0.2
133.10150	0.6
134.09648	0.2
135.08054	0.4
135.11707	0.5
145.06554	0.2
145.10101	0.8
147.08046	0.4
147.11737	0.3
149.09573	0.2
149.13258	0.3
157.10120	0.7
159.08072	1.7
159.11682	0.3
160.11220	0.8
161.23763	0.2
169.10165	0.4
171.10330	0.2
171.11681	0.2
173.09659	0.5
173.11736	0.5
184.07350	100.0
185.07698	0.6
189.11198	0.5
197.13168	0.3
209.13199	0.2
225.16447	0.3
227.12793	1.1
229.14378	1.6
258.08932	0.8
269.17554	0.6
271.16998	0.9
275.20102	0.6
289.17987	1.1
293.20938	0.2
313.27390	3.0
335.25812	2.8
345.20468	0.2
349.23605	0.5
363.21744	1.2
367.24692	0.3
379.29834	0.2
467.37369	1.1
496.33746	0.4
507.40228	1.1
542.81531	0.2
587.46423	0.7
595.25409	0.2
605.47852	0.3
606.46863	0.2
623.43091	3.1
624.43420	0.2
650.43298	0.3
704.48749	2.0
752.51801	0.4
770.53284	1.7
788.53827	0.4
802.55219	0.4
820.57294	2.1
832.16113	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	820.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	0.2
58.06581	1.1
59.07383	0.6
60.08167	6.4
67.05492	0.5
69.07087	0.2
69.18196	1.0
70.06595	0.2
71.07377	4.0
71.08634	0.1
79.05510	0.1
81.07042	0.3
86.09710	30.6
87.10050	0.2
91.05466	0.2
93.07053	0.1
95.08603	0.2
98.98469	3.7
104.10751	2.5
105.07026	0.3
107.08612	0.1
109.10193	0.2
125.00011	22.0
127.78888	0.1
131.08545	0.1
166.02681	0.2
184.07347	100.0
185.07697	0.7
222.08923	0.8
224.10260	0.1
233.45860	0.1
240.09850	0.2
275.20029	0.2
282.11041	0.3
325.26096	0.1
335.25906	0.2
341.12320	0.2
349.24078	0.1
354.13052	0.2
373.11325	0.1
438.22226	0.1
496.34027	0.1
550.34875	0.5
563.85614	0.1
609.44769	0.3
650.43933	5.1
651.43787	0.4
676.44574	0.2
678.46661	0.5
722.45807	0.1
820.53412	2.6
821.52185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	11.0
57.07075	2.6
59.04971	2.4
60.08154	6.7
65.03934	4.8
67.05507	85.0
67.84734	1.5
68.05828	2.1
69.03429	10.0
69.07066	27.8
70.06581	1.5
71.04991	3.9
71.07372	4.0
71.09425	1.4
71.51850	1.5
78.72688	1.4
79.05498	81.4
80.41082	1.5
81.03413	4.3
81.07063	80.5
82.79687	1.6
83.04976	8.8
83.08158	3.1
83.08623	47.8
85.02904	2.6
85.06552	3.4
86.09705	22.9
91.05485	63.4
91.66247	1.4
93.07049	68.1
93.07641	3.4
95.04961	7.6
95.08610	44.9
97.06516	2.9
97.10174	74.3
98.98442	2.7
101.09691	1.9
103.05447	3.0
104.10757	2.7
105.04530	2.0
105.06378	2.6
105.07037	26.8
107.04945	6.1
107.08601	55.3
109.06523	4.5
109.09475	1.9
109.10164	23.3
111.08058	4.9
115.05445	7.1
117.07025	41.0
119.08590	89.2
121.06493	5.4
121.10148	22.2
123.08067	2.6
123.11726	5.0
125.00001	17.0
125.09635	71.3
128.06230	3.4
129.07025	5.4
131.08568	20.8
133.06511	2.4
133.10133	13.0
135.08058	14.8
135.11679	13.2
137.09628	2.3
137.13271	2.2
141.06937	3.3
143.08578	9.0
143.10686	3.0
145.06493	29.9
145.10121	13.6
147.08037	7.3
147.11717	7.7
149.09647	2.4
149.13240	7.1
152.87112	1.7
153.09102	5.7
155.08542	4.2
157.10074	7.6
159.08090	15.6
159.11655	6.5
161.09566	5.2
161.13258	5.5
163.07564	3.3
163.11243	1.8
163.14842	3.4
169.10110	6.5
171.10162	4.5
171.11569	2.7
173.09589	6.2
173.13266	5.1
175.11102	1.9
175.14775	2.6
183.11684	2.9
184.07355	72.2
184.09026	3.5
185.13263	1.9
187.11131	2.0
187.14755	4.3
189.11226	47.2
189.12936	2.8
193.09984	1.9
197.09673	2.4
197.13168	2.5
215.14357	9.2
225.16351	3.7
227.12790	96.3
228.13130	2.2
233.22685	1.5
243.17390	5.6
243.21071	3.4
253.15883	4.4
260.39523	1.7
261.18619	1.7
261.19199	2.4
261.22144	26.6
271.16946	76.7
275.19791	1.7
289.18015	22.0
317.24716	5.7
327.19598	2.8
335.25797	80.3
336.26044	2.1
345.20676	24.1
363.21729	24.3
487.33936	7.6
505.35263	53.2
506.35321	2.5
605.33234	2.8
605.42078	39.4
623.43066	100.0
624.42944	5.3
802.52100	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	820.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	7.8
57.07058	3.0
59.05010	1.5
60.08147	3.6
65.03934	2.4
67.05508	52.7
69.03432	6.9
69.06727	1.4
69.07066	17.0
69.76106	5.7
71.04986	2.1
71.07369	1.4
77.03888	0.9
78.63216	1.0
79.05496	45.7
81.03393	4.0
81.07062	43.3
81.51376	0.9
83.05006	5.5
83.08157	1.7
83.08624	30.6
85.02879	1.7
85.06538	1.2
86.09706	13.9
91.05485	49.3
93.07047	35.8
95.04958	4.5
95.08607	23.8
97.02884	1.6
97.06524	2.7
97.10173	63.1
98.98450	2.0
100.11312	1.1
101.06027	1.4
103.05434	1.6
104.10763	1.0
105.04506	1.7
105.07034	16.8
107.04974	2.7
107.08598	34.8
109.06516	2.4
109.10158	14.3
111.04425	1.1
111.08047	3.4
115.05454	5.2
117.06240	1.7
117.07027	32.6
118.46076	1.1
119.08586	68.2
120.08911	1.6
121.06500	3.3
121.10152	12.0
123.04391	1.1
123.08080	1.7
123.11686	2.7
125.00012	9.6
125.09634	57.9
128.06230	2.2
129.07018	4.6
131.08582	14.5
133.06470	2.0
133.10115	8.5
135.08061	12.3
135.11694	7.8
141.07062	1.0
142.07805	1.8
142.53923	0.9
143.08568	7.0
143.10693	3.0
145.06482	25.2
145.10133	7.9
147.08022	5.5
147.11690	5.5
149.13257	3.6
153.09154	5.4
155.08549	2.4
157.10129	4.5
159.08073	10.8
159.11644	4.1
161.09596	2.4
161.13239	2.3
163.07567	2.3
163.14813	2.3
169.10150	1.7
171.08003	1.6
171.10205	4.8
171.11604	1.4
173.09593	2.7
173.11792	1.4
173.13300	3.0
175.11244	1.6
183.11708	2.3
184.07347	54.0
185.07664	1.6
187.14827	2.1
189.11232	41.3
189.12935	2.2
199.11200	1.2
225.16400	2.2
227.12787	100.0
228.13066	2.0
235.14726	1.5
243.17450	4.5
243.21097	3.7
245.13869	2.1
253.15889	2.8
259.20447	1.1
261.19238	1.3
261.22137	15.7
262.22455	1.0
271.16928	61.1
272.17441	1.9
275.20081	2.9
289.18021	16.8
313.27328	3.1
327.19400	1.1
335.25797	34.7
345.20615	12.7
363.21664	22.2
413.30530	1.2
433.94858	1.0
487.33994	3.7
505.35260	12.6
507.40381	1.4
583.40326	1.0
605.41986	21.6
623.43079	47.9
623.53271	2.3
624.42950	3.1
815.66711	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	15.5
57.07067	1.5
59.05009	12.7
61.02914	2.0
65.03925	4.0
67.05509	99.0
69.03430	14.3
69.07075	34.2
69.38987	8.4
71.01363	1.6
71.04998	9.2
78.36978	1.1
78.61859	1.0
79.05499	42.6
81.03423	23.8
81.06592	2.4
81.07064	44.3
82.07400	1.6
83.04987	7.4
83.08621	16.7
85.02911	6.3
85.06530	4.8
86.09702	2.0
87.04469	10.5
91.05487	37.5
93.07050	30.9
95.04971	15.9
95.08611	21.1
96.08940	1.4
97.02891	11.4
97.06525	8.3
97.10172	20.1
98.21459	2.3
99.04453	8.7
99.08087	2.4
105.04489	1.5
105.07037	24.8
107.04963	12.6
107.08601	25.7
108.08893	1.3
109.06498	7.9
109.10164	59.3
111.04423	3.6
111.08093	7.4
112.17166	1.0
113.06023	1.5
115.05464	2.9
117.07019	13.9
119.04919	1.5
119.08577	21.7
121.06521	7.4
121.10155	11.5
123.04433	1.9
123.08099	6.4
123.11703	2.0
124.60982	1.1
125.00014	1.7
125.09629	17.0
127.03874	1.8
128.06200	1.4
129.05496	1.9
129.07024	6.8
130.07780	1.3
131.08572	13.7
133.06471	4.2
133.10123	14.4
135.08060	5.8
135.11700	4.5
137.09596	7.4
143.08559	3.1
145.10132	10.4
147.08028	7.7
147.11681	6.4
149.09671	6.0
149.13266	3.3
151.11209	5.4
153.09074	1.9
153.12752	1.7
155.10675	3.8
157.10094	4.3
159.08105	1.8
159.11685	4.7
161.09579	4.6
161.13289	1.5
162.10368	1.4
163.11191	8.0
164.11823	1.1
165.09094	2.1
169.12265	2.0
171.11673	3.3
173.09581	2.0
173.11739	14.6
173.13205	1.9
175.11212	4.2
177.12794	1.6
181.10181	1.3
181.12198	2.2
183.11662	1.4
184.07339	4.7
184.43176	1.1
185.13289	1.9
189.11247	6.6
191.10663	3.4
193.12263	6.4
195.13884	1.5
199.11580	1.3
199.13319	6.4
205.12286	1.6
209.11714	2.3
211.13249	4.5
211.29385	1.0
223.13277	20.2
227.12772	10.2
229.14359	46.8
241.14304	3.1
245.18915	2.2
249.14894	3.4
253.14471	8.6
257.13757	1.4
257.18826	1.3
267.15906	9.9
273.18515	17.5
275.20093	5.2
276.20453	2.0
283.15390	4.9
285.16849	1.4
291.19553	100.0
292.19940	6.1
293.21188	2.4
301.16547	1.8
315.18033	4.4
347.22125	3.2
349.23834	2.6
365.23270	27.6
366.23428	1.7
393.22461	1.3
401.23618	1.3
421.25793	1.5
435.27466	1.8
439.26993	2.5
451.26874	1.5
475.26981	1.4
489.32156	1.6
507.33401	2.3
519.33179	50.7
520.33441	2.6
535.61548	1.3
561.37366	2.6
658.43286	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	819.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	17.1
57.07057	5.7
59.05003	2.9
61.02916	5.2
65.03934	6.7
65.29835	1.8
67.05507	100.0
68.05827	2.6
69.03433	34.0
69.06733	2.3
69.07073	25.9
70.14855	1.9
71.01343	2.7
71.05003	13.5
73.02918	3.9
73.75398	2.2
77.42061	2.4
79.05018	2.1
79.05496	56.4
81.03416	62.4
81.06588	4.0
81.07057	63.9
82.30346	2.2
83.01315	2.4
83.04977	18.9
83.08619	14.5
85.02912	20.8
85.06550	2.8
86.09707	2.7
87.04462	3.7
91.03922	2.1
91.05482	66.3
91.45695	2.0
93.07045	49.0
94.91799	2.0
95.04962	17.9
95.08608	41.0
97.02888	33.3
97.06520	19.9
97.10178	16.6
98.21600	4.5
99.04449	7.0
99.08079	4.1
103.05437	3.5
105.04514	3.7
105.07037	56.7
107.04958	8.7
107.08592	30.8
109.02866	12.3
109.06494	8.4
109.10156	49.5
111.04424	6.1
111.08070	6.6
115.05448	8.1
117.07022	23.6
119.04904	2.8
119.07796	3.4
119.08591	37.1
121.06504	6.7
121.10126	17.7
123.08057	7.1
123.11652	3.5
125.09609	15.6
127.03934	14.9
127.23833	2.1
128.06218	7.2
129.05481	5.0
129.06996	17.9
130.07837	2.4
131.08560	30.9
132.09131	2.3
133.06496	3.4
133.10146	31.9
135.08017	6.7
135.11691	13.4
137.09587	6.7
138.57310	2.0
141.07007	9.7
142.07764	5.0
143.08560	18.1
143.10657	2.8
144.09229	2.3
145.06531	5.2
145.10129	29.2
147.08014	6.2
147.11673	16.5
149.09621	7.7
149.13177	3.7
153.12764	3.8
154.07808	3.2
155.08536	11.1
155.10669	3.6
156.09338	4.0
157.10127	20.4
159.08060	5.1
159.11691	23.1
161.09671	3.9
161.13252	7.7
163.11156	7.5
163.14697	2.6
165.07141	2.1
167.08539	6.4
169.10152	10.4
171.08034	2.4
171.11655	14.0
172.87312	2.3
173.04442	22.6
173.09644	5.5
173.11697	12.2
173.13252	9.7
175.11165	6.0
175.14857	3.3
177.12788	3.4
179.08484	5.7
179.14253	3.1
181.10100	6.0
183.11678	10.0
184.07356	6.2
185.09560	5.1
185.13229	8.9
187.11137	6.5
187.14857	5.2
189.11218	4.2
189.12720	2.6
193.12254	4.8
193.66489	2.2
195.11670	7.0
197.09631	4.7
197.13251	7.8
197.83070	2.1
199.11140	3.3
199.13179	5.1
199.14861	5.0
201.12770	3.4
201.16364	2.7
207.11740	3.0
209.13356	3.3
211.11186	3.6
213.12788	2.2
215.14325	2.3
227.12718	7.2
229.14302	24.6
236.35771	2.0
241.19443	6.9
255.21307	2.1
256.29202	2.3
257.18973	6.3
259.20593	14.1
267.16028	5.5
273.18512	5.6
275.20081	26.7
277.21704	3.8
291.19476	10.4
297.22116	2.2
301.16556	3.6
301.21536	3.5
313.21570	9.0
313.27319	4.3
314.27747	2.4
315.23264	3.7
325.21646	3.6
333.24146	8.7
349.23550	8.1
351.25214	2.7
367.22659	4.6
376.34021	2.4
385.23550	4.1
449.29849	2.8
525.35083	2.9
541.35333	15.7
542.35944	2.9
543.36725	4.4
559.36176	6.9
595.36023	6.1
639.42700	10.7
657.43384	3.0
703.40247	3.0
801.47375	2.6
819.48456	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	819.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	14.0
59.04990	4.0
61.02916	6.8
62.60329	2.1
65.03940	10.3
65.22050	2.5
67.05510	100.0
69.03432	30.7
69.06724	4.0
69.07072	47.0
69.23081	22.7
71.04996	12.4
72.13186	2.4
73.02918	4.6
75.45699	2.1
77.03913	3.6
77.20164	2.3
79.05500	86.9
80.05785	2.7
81.03426	40.6
81.07064	95.8
83.04982	20.0
83.08620	29.8
85.02905	9.7
85.06541	7.1
86.22782	2.0
91.03966	5.0
91.05487	76.0
93.07050	74.5
95.04972	35.4
95.08613	44.6
97.02905	21.6
97.06538	25.4
97.10179	32.2
98.21522	4.1
99.04459	6.9
99.08113	3.9
105.07042	70.1
107.04956	23.0
107.08601	40.6
109.02873	8.2
109.06514	19.7
109.10172	25.2
111.04465	2.8
111.08102	7.3
113.06031	2.5
115.05502	5.0
117.07021	31.6
119.08582	53.0
120.94914	2.3
121.06485	11.1
121.10149	26.0
123.08092	18.9
123.11723	7.9
125.09633	24.8
127.03900	8.9
129.05496	3.5
129.07037	13.3
131.08574	30.9
133.06517	7.7
133.10158	33.7
135.08061	17.6
135.11717	12.1
137.05942	2.7
137.09612	11.2
141.07007	6.3
142.07800	5.4
143.08536	15.0
145.06506	6.8
145.10139	31.2
147.08066	14.3
147.11668	19.1
149.09659	14.7
149.13289	6.5
151.11238	7.3
153.09099	2.7
153.12910	2.3
155.08560	8.4
157.10126	11.8
159.08055	4.8
159.11716	16.9
161.09648	10.4
161.13298	7.8
163.11220	11.7
165.09114	4.2
169.10153	7.8
171.10266	3.2
171.11731	8.6
173.04492	5.4
173.09695	5.7
173.11786	3.6
173.13272	9.0
175.11288	7.8
175.14850	4.1
177.12720	5.9
183.11678	6.2
184.07353	2.7
185.13344	5.6
187.11139	5.1
187.14886	6.3
189.11227	17.2
193.12221	5.4
197.13365	3.5
199.11212	3.5
199.14903	3.7
205.12349	2.6
209.13353	3.6
211.14946	3.0
213.16460	2.7
223.13396	15.4
227.12729	29.1
229.14372	4.2
229.19611	3.4
231.14009	2.3
233.15474	2.8
239.18057	3.2
245.13820	6.2
245.19051	3.2
247.20720	4.6
249.14809	4.2
253.14365	4.5
255.17616	2.9
257.19043	11.1
267.15887	8.2
269.17587	3.5
273.18506	29.0
275.16968	3.3
275.20068	64.9
276.20163	2.2
289.18036	4.5
289.91559	2.3
291.19568	99.6
293.21252	7.0
299.39069	2.2
338.73737	2.4
347.22183	5.5
349.23776	31.4
365.23315	36.4
395.29434	2.8
519.33307	4.8
541.35229	7.6
543.36670	3.1
559.36200	12.4
621.41180	8.0
639.42566	43.0
657.43634	13.5
667.38446	2.8
703.40094	4.8
801.47644	5.0
819.48291	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	818.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	9.8
60.08174	7.5
67.05511	82.5
69.07062	17.9
69.21125	15.2
69.21513	58.2
79.05490	45.8
81.07060	68.0
81.10922	7.5
83.08620	10.1
84.08147	19.2
86.09737	18.3
91.05478	36.9
93.07051	55.8
95.08630	48.1
97.10164	6.7
105.07016	20.5
107.08584	35.0
109.06512	7.8
109.10151	19.0
116.41876	7.1
119.08563	15.3
120.72080	8.1
121.10134	20.8
123.11754	10.3
125.00065	12.0
130.08646	27.7
131.08575	13.4
133.10109	12.8
135.11749	18.5
145.10039	14.3
147.11678	10.4
149.13261	10.5
173.13245	7.8
184.07367	76.6
187.14964	8.5
225.84526	8.3
259.20743	7.8
261.22107	24.1
296.08386	7.2
335.25790	100.0
337.27203	9.8
382.49844	7.7
528.14569	8.8
595.46979	9.1
818.55676	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	819.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	16.5
57.07069	4.3
61.02933	3.5
65.03931	8.2
65.79388	2.8
67.05508	100.0
69.03429	23.5
69.07071	41.5
69.35422	16.7
69.35835	4.5
71.04987	8.8
73.02937	3.8
79.05495	76.8
79.12400	2.5
81.03423	47.2
81.07057	85.6
83.04990	20.2
83.08615	22.0
85.02906	12.5
85.06547	7.7
91.03926	3.6
91.05491	73.7
92.05836	3.4
93.07039	56.6
95.04980	23.1
95.08617	44.9
97.02901	14.7
97.06526	19.1
97.10159	21.9
99.04465	6.1
99.08121	5.6
105.07031	55.3
107.04972	17.9
107.08595	42.7
109.02902	7.4
109.06522	11.9
109.10164	30.1
111.04426	4.7
111.08041	6.4
115.05434	5.5
117.07015	21.6
119.08586	41.7
121.06487	14.1
121.10146	17.9
123.08089	10.8
123.11742	5.6
125.09644	16.3
125.10453	2.7
127.03927	8.6
128.06226	4.9
129.07001	14.9
131.08594	28.6
133.06506	9.0
133.10138	42.3
135.08084	15.6
135.11720	12.7
137.09608	6.7
141.06975	4.9
142.07742	3.7
143.08624	14.3
145.06468	6.0
145.10132	23.7
147.08049	8.6
147.11726	14.8
149.09621	14.4
149.13289	4.1
151.11208	9.7
155.08531	4.2
157.10178	10.5
159.08070	3.9
159.11703	16.1
161.09665	4.6
161.13234	6.3
163.11220	9.7
167.08540	3.4
169.10126	6.0
171.08160	3.2
171.11650	14.4
173.04494	15.3
173.09706	3.3
173.13304	6.6
175.11192	8.1
183.11728	6.9
185.13245	4.7
187.11292	3.8
187.14879	3.2
189.11212	7.8
193.12224	5.9
195.11623	4.2
197.13318	4.1
199.11159	3.6
199.14894	3.9
211.13260	3.6
223.13333	7.0
227.12778	12.8
229.14394	4.2
229.19655	3.3
233.15393	4.1
242.55975	3.2
245.13844	3.3
245.19063	5.6
247.20544	5.2
253.14275	17.7
255.17349	3.5
257.18970	6.9
265.04993	3.1
267.15866	4.6
269.17484	8.3
273.15652	4.3
273.18497	35.5
275.20047	45.0
291.19504	68.8
293.21222	4.3
317.21066	2.9
347.22177	12.1
349.23700	27.9
365.23328	32.8
413.22021	3.6
419.24420	3.4
456.59402	3.4
541.35193	7.8
559.36090	16.8
599.96661	3.1
621.41095	3.7
639.42627	25.3
657.43140	12.8
703.40094	6.4
819.47888	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	818.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	17.3
57.07083	3.3
57.92027	2.0
59.05018	3.7
61.02925	3.5
64.50165	1.6
65.03941	3.6
67.05508	100.0
68.05856	2.1
69.03422	8.8
69.07071	29.0
69.92876	1.6
71.01359	1.6
71.04993	7.8
71.51753	2.3
73.02917	2.0
79.05495	59.7
81.02939	2.0
81.03423	30.6
81.06586	3.4
81.07060	64.7
82.07378	1.6
83.04987	14.6
83.08625	17.3
85.02906	7.5
85.06541	6.1
86.09697	2.1
91.03947	2.0
91.05483	55.8
93.07052	46.6
93.07642	2.9
95.04973	23.6
95.08605	35.6
97.02908	7.6
97.06535	14.4
97.10172	10.6
99.04484	1.8
103.05491	3.0
105.07038	38.1
106.07341	2.2
107.04970	18.1
107.08603	33.8
109.02872	2.9
109.06509	10.6
109.10160	47.5
111.04463	3.3
111.08063	6.9
113.06023	1.6
115.05466	3.1
117.07031	21.1
119.04923	2.0
119.08585	28.6
121.06501	13.0
121.10155	14.9
122.10650	1.7
123.08069	6.3
123.11736	4.0
125.09620	11.9
127.03921	5.0
128.06212	2.4
129.06993	11.4
130.07831	3.0
131.04851	2.8
131.08578	25.3
133.06508	4.7
133.10141	24.2
135.08051	9.6
135.11713	11.8
137.05930	1.7
137.09651	6.6
139.11220	2.6
141.06976	3.3
143.08557	8.4
145.06476	3.3
145.10138	17.0
147.08075	7.0
147.11662	11.7
147.19904	1.9
149.09653	14.4
149.13269	5.8
151.11188	4.6
155.08592	3.2
155.10704	3.7
157.10135	7.5
159.08096	3.5
159.11729	15.1
161.09633	6.1
161.13293	4.3
163.11174	8.2
165.86230	1.8
166.60880	1.6
167.10597	1.8
169.10144	6.3
171.10374	2.1
171.11734	6.3
173.04510	2.2
173.09602	1.8
173.11763	12.1
173.13213	3.6
175.11232	3.6
177.12791	5.9
179.10675	2.6
181.10043	2.0
183.11708	2.6
184.07381	4.2
185.13335	2.2
187.11165	6.3
189.11237	4.5
193.12251	2.1
195.11726	2.2
195.13782	2.9
199.11272	1.9
205.12274	4.3
207.13814	2.7
223.13202	10.4
227.12730	10.5
229.14342	40.0
229.19618	2.9
230.08453	1.7
239.17938	2.5
247.17119	2.1
253.14281	4.5
255.15936	7.9
257.19061	7.9
267.15933	12.4
269.17493	15.9
273.18439	7.5
275.20117	21.7
276.20444	2.4
279.15927	4.1
281.17523	4.5
289.17950	3.0
291.19550	15.3
292.19873	4.0
293.21143	4.1
297.16971	12.4
347.22168	3.2
349.23782	13.8
365.23285	7.5
399.24200	2.4
409.25995	8.0
410.71484	2.1
423.27429	33.6
435.27463	4.9
447.27527	2.6
473.28870	8.0
475.30609	3.1
477.28430	3.0
491.30014	11.0
503.33603	15.7
504.34152	2.2
521.34625	3.5
539.33551	2.0
555.37103	2.6
557.34491	9.8
571.36285	6.9
638.40778	2.4
688.25012	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	814.5596
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06630	0.4
60.08168	5.9
66.06557	0.1
67.05503	0.2
69.88737	0.2
69.89095	0.5
70.06591	0.2
71.07376	3.8
79.05460	0.1
81.07062	0.1
86.09710	28.9
87.10062	0.2
91.05492	0.2
93.07041	0.2
98.98469	3.8
104.10751	2.2
125.00011	20.7
184.07349	100.0
185.07718	0.7
210.90877	0.1
362.52878	0.1
518.32642	0.2
638.76569	0.1
778.53845	6.5
779.52966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	0.2
58.06629	0.4
59.07379	0.1
60.08166	6.2
67.05501	0.3
69.07078	0.2
70.06599	0.3
71.07375	3.6
71.08629	0.2
74.09716	0.1
81.07069	0.3
83.08641	0.1
86.09708	30.9
87.10028	0.6
91.05483	0.2
93.07040	0.2
95.08608	0.3
98.98465	3.5
104.10750	2.5
107.08709	0.1
118.78385	0.1
122.65059	0.1
125.00008	20.6
126.00291	0.1
130.08632	0.2
140.01022	0.1
143.01048	0.2
166.02725	0.1
171.98854	0.1
184.07343	100.0
185.07721	1.7
186.07793	0.4
213.07008	0.1
313.27341	0.2
421.18445	0.1
716.48859	0.8
798.56818	0.5
816.57855	1.9
817.57141	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	817.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	22.2
57.07072	2.2
59.05007	3.7
60.25097	1.7
61.02921	4.1
65.03932	4.8
65.99308	1.7
67.05509	51.3
69.03086	3.1
69.03436	43.0
69.07079	9.7
70.04779	5.0
71.01353	4.3
71.05009	12.3
73.02924	10.8
79.05077	2.6
79.05500	36.0
81.03424	100.0
81.07061	35.8
83.04985	21.6
83.08627	22.2
85.02433	2.9
85.02913	36.2
85.06538	4.5
91.05486	35.3
93.07050	26.7
93.63853	1.7
95.04975	25.0
95.08607	16.1
97.02297	2.4
97.02896	32.3
97.06505	5.4
97.10174	8.5
99.04453	10.0
101.02349	3.1
103.03960	2.3
105.07047	25.0
107.04962	17.0
107.08609	15.3
109.02895	23.4
109.06519	6.6
109.10167	35.0
111.04463	13.4
111.08087	12.3
113.43978	1.9
115.05433	2.3
117.07018	5.8
119.04916	2.2
119.08590	23.7
121.02837	2.5
121.06504	6.1
121.10172	9.8
121.77435	1.7
123.04409	6.3
123.08037	2.3
123.11726	4.5
125.06010	2.0
125.09649	9.9
127.03920	22.8
129.05492	4.2
129.07018	9.8
131.03391	2.9
131.04941	2.5
131.08575	13.5
133.06479	3.4
133.10132	9.8
135.04434	9.8
135.08090	2.3
135.11699	5.4
137.05956	3.0
137.09615	4.2
139.03897	3.6
143.08568	2.2
145.04964	2.8
145.06465	2.6
145.10133	5.5
147.04416	2.0
147.08000	3.2
147.11668	17.7
149.06021	3.4
149.09619	5.7
153.01859	2.3
153.05470	5.2
153.12802	3.6
155.08559	2.4
155.10657	3.5
157.08679	2.3
157.10109	10.6
163.04010	2.6
163.11156	6.1
165.09103	1.9
165.12712	4.8
169.36830	2.0
171.08081	2.2
173.04506	13.0
173.09656	1.9
173.11761	7.6
175.11140	10.1
181.04919	2.9
181.12170	3.4
183.11653	1.7
189.11281	4.2
191.10631	3.3
193.12265	32.8
199.06070	4.0
199.11053	1.7
209.11714	9.2
211.13284	41.0
211.22688	1.7
213.12863	1.8
217.07008	4.2
227.12711	7.6
229.14409	17.5
253.07060	2.0
267.15967	22.8
273.14786	2.4
277.14044	2.5
283.15793	3.4
285.16986	19.3
299.14493	2.1
301.16675	3.6
337.16339	3.1
353.15860	3.8
355.17468	3.1
371.17200	2.1
373.18481	4.2
392.75739	2.1
393.18930	2.3
409.26120	2.7
411.20035	3.5
421.25879	11.8
429.21033	2.8
439.26923	33.1
440.27536	2.2
446.68515	2.1
475.26923	8.6
493.28082	9.8
511.29135	2.8
565.30371	4.3
583.31122	16.5
619.31122	2.4
637.31970	7.9
653.53198	1.9
655.33252	2.8
762.25018	2.0
817.35565	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	813.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05531	1.9
81.07064	2.8
86.09730	6.9
95.08618	2.2
104.71829	2.3
107.08656	2.7
115.43005	2.0
121.61565	2.1
125.00033	4.1
165.05817	2.2
165.68054	2.1
184.07356	25.4
185.07780	3.0
186.72893	2.1
219.30840	2.1
261.89117	2.0
439.93579	2.4
530.45734	2.2
594.36371	2.3
813.49200	100.0
814.49738	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.8
60.08164	3.8
60.30859	0.6
61.02930	5.3
67.05511	5.4
69.03423	2.2
69.07071	1.2
69.81478	2.6
71.07373	2.9
73.02921	4.5
79.05498	4.6
81.03429	1.5
81.07070	4.6
83.08659	0.8
85.02917	5.6
86.09706	17.7
87.10042	1.6
87.67935	0.6
91.03980	3.3
91.05466	3.0
93.07035	4.9
95.08604	4.5
97.02894	3.7
98.98457	2.4
99.04457	1.1
101.02393	2.3
104.10719	1.5
105.07021	3.1
107.08573	3.0
109.10168	1.4
119.08606	2.2
121.10165	2.0
125.00008	13.6
127.03902	1.5
131.08598	1.1
133.10188	1.0
135.11737	1.0
145.10118	1.0
149.13284	1.1
151.10941	0.6
159.11656	1.1
163.98727	0.8
168.97974	0.7
184.07346	54.9
185.04358	1.1
185.07683	6.5
243.06207	0.6
243.08302	3.0
250.42966	0.6
301.08987	1.3
373.11157	0.7
412.87143	0.8
465.21307	0.6
519.29254	8.1
535.28839	4.5
591.31531	1.0
641.44684	1.3
725.70239	0.7
813.51233	100.0
814.51666	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	812.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06636	0.4
60.08166	7.2
66.26964	0.1
67.05492	0.3
70.06586	0.1
71.07375	4.3
71.08616	0.1
71.51334	0.1
77.11353	0.1
79.05492	0.1
81.07057	0.3
86.09708	33.4
87.10044	0.2
91.05502	0.1
93.07048	0.4
94.32589	0.1
95.08598	0.3
98.98467	3.8
104.10746	2.9
105.07029	0.2
107.08598	0.1
119.08593	0.1
125.00007	23.1
143.01050	0.2
146.40475	0.1
151.81837	0.1
166.02646	0.1
184.07344	100.0
185.07697	1.0
197.45772	0.1
215.12759	0.1
313.27429	0.2
518.31476	0.1
534.31989	0.2
556.20978	0.1
664.09247	0.1
709.01520	0.1
774.75287	0.1
794.53271	7.6
795.53772	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.1
58.06638	0.5
59.07126	0.1
59.07386	0.2
60.08167	7.4
67.05511	0.5
69.07059	0.2
70.06607	0.1
70.63082	0.3
70.63439	0.1
71.07375	5.1
71.08634	0.1
72.41031	0.1
79.05494	0.4
81.07059	0.5
83.08620	0.2
86.09709	37.8
87.10045	0.4
91.05515	0.2
91.09503	0.1
93.07036	0.3
95.08621	0.4
96.29479	0.1
98.98472	5.1
103.28780	0.1
104.10752	3.0
107.08603	0.2
119.08598	0.2
121.10199	0.2
125.00010	26.9
135.11674	0.1
143.01024	0.2
166.02585	0.2
184.07347	100.0
185.07697	0.9
188.15950	0.1
315.17169	0.1
370.82513	0.1
600.43097	0.1
794.52502	0.2
812.54364	2.6
813.53491	0.2
839.51416	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	811.445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.8
59.84402	0.5
60.08161	1.9
60.59870	0.4
61.02937	3.6
62.02865	0.4
67.05508	3.5
67.38992	0.5
69.03432	2.6
69.07065	2.0
70.96261	1.3
70.96635	0.6
71.04989	1.8
71.07379	0.7
73.02912	3.3
79.05491	4.9
81.03420	4.6
81.07066	5.3
83.04961	0.5
83.08620	0.8
85.02911	3.9
85.65907	0.5
86.09714	8.1
87.10049	0.7
91.03970	1.3
91.05496	3.8
93.07053	3.2
95.04984	1.9
95.08617	2.2
97.02888	3.6
97.06567	1.0
97.10181	0.6
99.04459	0.8
101.02415	1.7
104.10761	0.7
105.07045	2.7
107.05026	0.9
107.08629	1.4
109.02900	1.4
111.08067	0.6
119.08611	2.2
121.10170	1.5
125.00016	6.1
125.49015	0.6
127.03954	1.7
129.07050	0.8
131.08592	2.0
133.10168	1.2
135.11716	0.6
137.13222	0.6
147.11728	1.4
149.09636	2.0
157.10136	1.2
159.11789	0.8
175.11256	1.2
184.07356	30.1
185.07695	4.0
193.12344	1.6
225.14967	0.9
243.08362	3.5
258.25485	0.6
267.15918	0.7
283.15265	2.9
333.20444	1.9
339.17850	0.9
439.19827	1.0
441.21393	0.8
442.48257	0.6
453.21259	0.9
469.20935	1.1
501.23105	12.2
551.28436	6.3
731.24127	0.6
761.43597	0.6
791.75592	0.7
811.44501	100.0
812.44843	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	812.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	0.2
58.06634	0.5
59.07403	0.1
60.08168	5.9
61.97076	0.1
63.06895	0.1
67.05516	0.2
69.07030	0.1
70.06587	0.2
70.11817	0.2
70.12208	0.3
70.80927	0.1
71.06990	0.2
71.07380	3.8
79.05501	0.2
79.45660	0.1
79.48828	0.1
81.07060	0.2
86.09710	30.8
87.10018	0.2
93.07047	0.2
95.08614	0.2
98.98470	4.0
104.10754	2.6
107.08569	0.1
125.00012	21.9
130.08708	0.1
141.60489	0.1
142.35370	0.1
184.07350	100.0
185.07616	0.5
261.13336	0.1
418.78531	0.1
776.52258	5.8
777.52081	0.4
812.52551	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	810.528
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06622	0.5
60.08166	6.9
62.97230	0.1
67.05500	0.5
69.07058	0.2
70.06594	0.3
70.97655	0.3
71.07378	4.2
72.00883	0.1
79.05488	0.3
81.07053	0.3
84.08160	0.5
86.09708	34.9
87.10044	0.5
91.05453	0.1
93.07052	0.3
95.04980	0.1
95.08614	0.3
98.98469	4.5
104.10747	3.7
104.48431	0.1
105.07033	0.2
109.06523	0.1
117.06966	0.2
125.00009	23.4
127.62199	0.1
128.91409	0.1
130.08655	0.6
143.01031	0.2
145.53836	0.1
184.07346	100.0
185.07704	2.0
186.07808	0.5
244.36760	0.1
356.74088	0.1
360.25488	0.2
489.22058	0.2
627.45428	0.2
667.86676	0.2
712.45337	0.3
792.52325	0.2
810.52771	4.9
811.52606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06630	0.4
60.08167	5.8
67.05500	0.2
69.07063	0.2
70.06610	0.2
71.07377	3.7
71.51878	0.2
79.05492	0.3
81.07055	0.2
86.09709	30.9
87.10052	0.2
89.06045	0.2
91.05508	0.2
93.07053	0.2
97.54852	0.1
98.98466	3.8
104.10744	2.3
105.07043	0.3
119.08606	0.2
125.00010	20.9
133.10062	0.2
184.07347	100.0
185.07747	1.1
260.25125	0.1
516.30920	0.2
651.46124	0.3
774.50726	4.0
775.51233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.2
58.06638	0.5
60.08166	7.0
65.69658	0.1
67.05507	0.5
70.06597	0.2
71.07375	4.4
72.67462	0.1
75.43931	0.1
79.05509	0.2
81.03405	0.3
84.08148	0.2
86.09709	33.2
87.10054	0.4
89.72385	0.1
91.05516	0.3
93.07028	0.3
95.08634	0.3
98.98467	4.0
104.10751	2.8
105.07060	0.2
107.08651	0.2
124.51601	0.1
125.00011	23.1
125.36667	0.1
130.08611	0.2
143.01085	0.2
157.10214	0.1
184.07347	100.0
185.07722	1.0
188.32094	0.1
213.84334	0.2
253.64261	0.2
306.10355	0.1
316.59293	0.1
551.69983	0.1
683.87067	0.1
792.51660	5.8
793.51080	0.4
810.51355	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	2.0
59.04988	0.8
60.08154	0.6
61.02929	4.9
67.05503	6.3
67.41177	0.5
69.03431	3.3
69.07055	1.5
70.45937	1.4
71.04988	2.3
71.73637	0.5
73.02921	4.7
79.05485	4.8
81.03409	5.2
81.07047	6.0
83.04997	2.4
83.08620	1.7
85.02905	5.6
85.06593	0.5
86.09715	1.5
87.04483	0.9
91.03973	2.8
91.05482	6.7
91.22378	0.5
93.07040	5.2
95.04972	2.0
95.08611	3.8
97.02892	5.0
97.06538	1.6
97.10116	0.6
99.04456	1.0
99.08141	0.5
101.02374	1.1
105.07036	3.8
107.04977	1.2
107.08608	2.6
109.06511	1.1
109.10179	1.8
111.08075	1.2
117.07042	0.9
119.08589	2.9
121.10165	1.9
123.08057	0.9
127.03945	1.2
129.07019	1.7
131.08589	2.2
133.10129	3.3
135.11647	0.6
142.07765	0.6
145.10127	1.3
147.11711	1.4
149.09679	1.5
149.13235	0.5
150.05290	0.5
151.11215	0.8
157.10161	1.1
163.11171	0.5
175.11258	1.7
184.07350	4.7
185.04266	0.7
193.12268	2.8
203.05316	0.7
211.13379	1.0
214.14952	0.5
225.15021	0.5
243.08403	3.7
249.10846	0.5
267.15881	0.6
283.15146	2.7
313.17886	0.8
331.18658	2.6
339.18011	1.1
451.19238	1.0
469.20401	1.0
501.23062	12.6
531.25659	2.1
549.26453	4.2
552.21332	0.7
573.25043	1.1
639.29785	3.1
711.36041	2.9
740.35266	0.9
791.27759	1.0
791.41791	11.9
792.42004	1.6
809.42847	100.0
810.43152	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	808.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	0.2
58.06626	0.4
59.07389	0.2
60.08165	6.2
62.28975	0.1
67.05512	0.7
69.07073	0.2
69.85986	0.5
70.06596	0.2
71.07376	4.0
79.05511	0.2
79.28832	0.1
81.03418	0.2
81.07051	0.3
83.04998	0.1
83.08610	0.2
84.08160	0.2
86.09708	32.9
87.10036	0.2
91.05487	0.2
93.07032	0.2
95.08578	0.3
97.10223	0.2
98.21484	0.2
98.98468	3.9
104.10739	3.0
105.07008	0.2
107.08617	0.2
109.10171	0.3
119.08538	0.2
121.10126	0.1
125.00008	22.0
130.08646	0.1
143.01018	0.1
184.07344	100.0
185.07674	0.7
229.14543	0.1
304.48108	0.1
313.27313	0.2
345.01440	0.1
373.18475	0.2
435.29962	0.1
467.37167	0.4
496.33521	0.2
650.43982	1.7
651.43219	0.1
690.47113	1.3
754.52771	0.5
772.54718	1.0
773.53387	0.1
790.56067	1.2
808.57300	1.2
809.56305	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	809.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.4
59.05009	1.1
59.07351	0.7
61.02933	3.1
67.05507	10.0
67.05843	1.0
68.05830	1.1
69.03436	4.4
69.07067	3.8
69.25520	4.1
69.25923	1.4
71.01358	0.8
71.04998	2.7
73.02918	3.9
79.05493	7.7
81.03416	8.7
81.07065	9.1
83.04996	2.8
83.08632	2.5
85.02904	5.7
85.06562	1.1
86.09703	4.6
91.03980	2.1
91.05482	8.0
93.07049	6.8
95.04964	3.2
95.08620	4.1
97.02904	5.1
97.06535	1.5
97.10184	2.0
98.20742	0.8
98.98475	0.8
99.04499	0.7
101.02410	1.4
105.07046	4.1
107.04993	1.2
107.08601	3.8
108.08921	0.9
109.02930	1.5
109.06545	1.2
109.10166	3.3
110.10469	0.7
111.04469	0.8
111.08118	1.2
117.07041	0.7
119.08582	3.6
120.08872	0.7
121.06519	1.1
121.10181	2.4
125.00048	1.8
125.09669	1.7
127.03951	1.4
129.07031	1.8
131.08592	2.5
133.10149	3.1
135.11752	2.1
143.08669	0.7
145.10153	1.2
147.11740	2.9
149.09673	2.4
151.11214	0.8
157.10146	1.6
159.11757	1.1
163.11159	0.9
173.11821	0.8
173.13426	0.6
175.11256	1.5
178.39024	0.6
184.07365	13.0
185.07745	0.9
189.11253	1.1
193.12294	2.6
211.13350	1.0
223.13419	1.8
229.14464	1.8
243.08479	4.5
267.16049	1.5
268.16281	0.9
269.10696	0.9
269.17545	1.2
283.15219	3.8
285.16882	0.9
291.19815	0.6
331.18921	1.2
339.17844	1.0
387.21472	0.9
401.12381	0.8
413.94330	0.7
501.23145	12.0
549.26538	4.2
573.24243	0.8
809.42957	100.0
810.43524	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	14.5
62.52652	5.5
65.03941	6.5
67.05511	88.0
69.07064	25.7
69.26682	5.7
69.26990	50.4
71.07359	5.6
79.05496	72.1
81.03411	6.6
81.07061	76.3
83.08620	11.4
85.02914	7.1
85.06527	5.3
86.09726	41.6
86.80013	4.7
91.05489	69.8
93.07048	79.4
94.56240	5.9
95.04944	9.7
95.08617	61.1
105.07036	71.9
107.08594	45.8
109.06537	6.9
109.10175	25.1
111.08064	6.0
117.07042	18.6
119.08586	57.4
121.10147	30.1
123.11738	6.3
125.00003	16.4
129.06999	9.6
130.08606	6.1
131.08633	28.3
133.10130	48.4
135.11694	24.6
143.08611	11.5
145.10127	26.1
147.11714	36.1
149.13255	10.1
154.57153	4.9
157.10170	10.1
159.11691	29.9
161.13283	20.0
169.10213	5.9
171.11705	13.0
173.13289	15.9
184.07370	100.0
185.07678	17.1
185.13281	11.8
186.07822	6.1
187.14842	6.6
195.11700	5.2
199.14850	9.0
241.19499	21.7
257.18991	8.5
259.20590	62.3
261.22211	12.3
300.13577	13.1
315.23083	6.1
331.22662	7.2
333.24237	45.5
335.25839	70.2
519.41711	6.1
520.50299	6.9
593.45435	10.9
611.46857	42.7
749.42865	9.4
808.51837	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	808.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	23.1
57.07095	2.4
57.63246	1.8
59.04992	2.3
60.08167	2.6
61.02927	2.8
65.03938	4.1
67.05510	100.0
69.03432	11.7
69.07070	32.0
69.29198	1.9
69.96243	3.4
69.96654	8.1
70.06609	2.2
71.04999	9.4
73.02909	2.9
79.05502	59.1
81.03426	54.1
81.07067	84.6
82.04209	4.3
83.04995	22.3
83.08627	28.1
85.02914	20.0
85.06548	7.5
86.09710	8.2
91.03967	2.5
91.05490	64.4
93.06478	3.6
93.07052	55.9
95.04974	31.8
95.08611	36.2
96.60290	2.0
97.02371	1.8
97.02885	10.6
97.06551	17.2
97.10175	19.3
98.07307	4.6
98.20812	2.1
99.04458	3.1
99.08120	2.9
103.05460	2.8
105.04546	2.2
105.07043	44.1
107.04983	16.3
107.05589	2.9
107.08597	29.0
109.06522	13.0
109.09464	3.8
109.10167	48.7
110.10515	1.9
111.04465	5.0
111.08119	15.3
113.05978	2.5
115.05479	2.8
116.04714	6.4
117.07029	14.6
119.08592	40.8
121.06536	5.5
121.10163	18.8
123.08102	9.2
123.11749	3.3
125.00022	8.8
125.05948	1.9
125.09628	14.3
127.03931	2.5
127.11243	3.0
128.06299	2.1
129.05496	19.0
129.07005	12.2
131.08578	24.2
133.06491	5.8
133.10147	29.1
135.08038	7.1
135.11717	11.4
137.09642	11.9
138.73759	1.9
139.11194	2.6
141.07002	2.4
142.07829	2.3
143.07018	4.2
143.08571	4.3
145.06563	1.9
145.10130	18.4
147.08057	6.4
147.11726	20.9
149.09625	19.0
149.13272	8.2
151.11171	4.4
155.08627	3.0
155.10674	5.7
157.08629	8.3
157.10139	12.2
159.11719	10.5
163.11194	11.1
165.12738	3.9
171.10182	4.0
171.11595	2.4
173.09660	3.7
173.11758	12.2
173.13222	4.2
175.11192	14.8
177.12787	6.0
184.07356	37.9
187.11107	2.5
189.11226	9.1
193.12251	28.2
195.13821	5.8
197.13438	2.1
199.13289	8.6
209.11758	2.6
211.13292	32.5
223.13515	2.3
227.12775	18.0
229.14357	23.2
229.19504	3.6
243.81433	2.3
247.20386	2.3
249.15016	2.2
257.18982	4.7
265.14212	2.5
267.15912	22.3
269.17453	16.5
273.18500	4.3
275.20059	33.5
283.15564	10.7
285.17014	19.6
291.19507	6.7
293.20999	2.9
301.16476	35.6
335.18515	2.4
349.23874	25.4
350.50092	2.3
367.24881	8.0
371.23959	3.1
373.18726	3.1
383.24301	8.0
389.18674	2.2
404.80179	2.0
411.27435	3.3
421.26016	5.8
423.27420	10.7
439.26996	23.0
449.28839	3.0
455.26279	16.6
461.28995	7.1
477.28528	5.8
479.30084	13.1
495.29541	22.7
541.35394	9.2
557.34558	5.0
559.36456	14.9
575.35724	23.4
593.37073	15.4
601.25641	2.3
775.35040	2.0
796.30450	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	808.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	21.8
57.07089	2.5
59.04996	3.2
60.08159	6.3
61.02928	3.2
62.79969	1.3
65.03947	4.8
67.05509	100.0
69.03439	9.6
69.07077	30.7
71.01372	1.9
71.04987	8.0
71.07381	4.3
71.51534	2.2
73.02932	1.9
79.05502	57.3
81.02937	1.6
81.03422	48.3
81.07061	75.7
83.04983	13.9
83.08627	22.8
85.02909	13.1
85.06543	6.7
86.09715	28.8
86.10191	3.0
87.04493	2.9
91.05492	54.1
92.05793	1.6
93.07050	49.4
94.07388	2.4
95.04969	24.3
95.08612	30.4
97.02888	8.6
97.06528	17.1
97.10168	14.3
98.98483	3.3
99.08116	2.6
104.10751	2.0
105.04520	2.7
105.07034	31.9
106.04217	1.8
107.04958	13.3
107.08598	31.8
108.56814	1.3
109.02898	1.9
109.06538	8.2
109.10163	49.4
111.04436	4.2
111.08112	9.4
115.05452	2.7
117.07037	12.5
119.04912	2.1
119.08602	29.0
121.06519	6.9
121.10148	21.3
123.08060	6.6
123.11733	3.7
125.00014	18.4
125.09643	14.5
127.03928	4.1
128.06244	2.7
129.05522	1.9
129.07028	9.9
130.07837	2.0
131.08585	19.7
133.06552	2.2
133.10147	17.5
135.08057	6.5
135.11693	15.2
137.09621	5.5
139.11194	3.0
141.07022	1.9
142.07791	2.6
143.08585	4.5
145.06485	3.3
145.10115	14.5
147.08049	2.8
147.11690	12.8
149.09636	14.7
149.13272	6.2
151.11238	2.3
153.01749	2.5
155.08572	3.4
155.10643	3.5
157.10126	9.0
159.11714	8.2
161.09686	3.1
161.13257	4.1
163.11188	11.7
163.67229	1.6
165.12775	2.3
169.10104	1.7
171.11656	2.1
173.04303	1.8
173.09680	2.5
173.10324	1.8
173.11768	12.6
173.13206	3.6
175.11241	6.4
177.12701	3.5
179.14259	2.0
181.12334	3.5
183.11728	2.1
184.07353	93.8
185.13335	1.9
189.11266	4.3
191.10625	2.5
191.14413	1.8
193.12273	13.9
195.13828	4.3
196.25012	1.7
197.13419	1.9
199.13268	2.9
209.11746	5.2
211.13301	5.1
227.12784	7.6
229.12115	3.0
229.14360	37.0
237.68417	1.7
239.18028	2.0
243.16129	1.7
245.13785	3.6
255.15912	11.6
257.19080	3.6
258.28296	1.8
267.15936	28.6
267.18604	2.4
269.17444	14.8
273.18561	2.5
275.20111	14.5
283.15533	4.4
285.17130	3.6
291.19473	2.5
293.20993	3.2
301.16653	9.0
349.23697	12.8
365.23264	2.0
409.25946	4.9
421.25854	5.1
423.27441	14.4
447.27530	6.6
449.29272	2.0
461.28870	1.9
479.29565	4.4
495.29562	7.5
503.33920	3.0
541.35413	9.2
559.36163	4.8
562.09973	1.8
575.36188	2.8
704.41339	2.1
808.42285	3.7
809.41437	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	806.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22202	2.6
57.03428	8.3
61.02929	3.2
67.05182	3.7
67.05514	49.4
69.07079	7.5
79.05506	30.4
81.07061	37.5
83.08636	6.6
85.02893	3.1
86.09704	16.8
91.03975	3.1
91.05508	18.5
93.07055	28.9
95.08612	29.0
97.02951	3.4
98.21526	6.9
98.98506	3.3
102.94356	2.4
105.07026	14.3
107.08587	13.3
109.10164	12.4
117.07036	4.4
119.08570	9.3
121.10153	16.6
123.08102	4.7
123.11777	4.0
125.00002	11.9
131.08586	7.9
133.10164	5.7
135.11728	8.0
145.10156	9.0
147.11713	6.7
149.13257	5.4
151.27391	2.5
159.11687	6.6
161.13274	4.7
163.14746	3.4
173.13336	6.6
182.05849	2.8
184.07346	40.1
185.07736	2.5
229.04250	2.9
243.21152	5.3
259.20621	4.5
261.22058	14.0
304.26337	18.3
331.26343	4.8
335.25824	100.0
337.27390	6.1
358.99487	2.7
387.29068	7.0
396.01224	2.7
405.29990	4.2
411.18442	2.9
595.46991	11.9
613.47778	4.8
643.88104	2.6
645.14984	3.0
665.51434	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	806.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.9
57.07059	0.2
58.06628	0.5
60.08168	6.1
67.05512	0.4
69.03437	0.1
69.07063	0.3
70.06594	0.1
70.95438	0.3
71.07378	4.1
78.95489	0.1
79.05502	0.3
81.03391	0.1
81.07061	0.5
81.48393	0.1
85.61589	0.1
86.09710	31.0
87.10027	0.2
91.05485	0.2
93.07067	0.3
95.08624	0.3
96.40124	0.1
98.98463	3.3
104.10751	2.6
105.07018	0.2
107.08606	0.2
109.06523	0.1
109.10133	0.1
119.08592	0.2
121.06553	0.3
125.00011	20.5
130.08704	0.1
135.11795	0.1
138.09123	0.2
145.10161	0.1
184.07349	100.0
185.07690	0.8
220.04800	0.1
258.08954	0.2
266.15118	0.1
440.71634	0.1
650.43451	0.4
690.46967	1.7
752.51752	0.3
770.53296	0.9
788.54291	1.2
789.52856	0.2
806.55365	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	806.5548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.1
56.33335	0.1
57.03451	0.2
57.07071	0.3
58.06573	1.1
59.07392	0.4
59.85236	0.1
60.08166	6.6
64.00901	0.1
65.03941	0.1
67.05507	1.7
69.07069	0.7
69.26051	0.4
69.26478	0.7
71.07377	3.8
71.08612	0.1
79.05501	1.1
81.03404	0.2
81.07057	1.6
83.04977	0.1
83.08630	0.4
86.09707	32.1
87.10023	0.3
91.05486	1.2
93.07058	1.2
95.04971	0.3
95.08612	1.0
95.99065	0.1
97.10182	0.2
98.98470	4.1
104.10745	2.7
105.07038	1.3
107.04978	0.2
107.08618	0.7
109.10145	0.5
117.07019	0.3
119.08592	1.0
121.06550	0.1
121.10133	0.3
125.00008	22.7
129.06999	0.2
131.08557	0.6
133.10126	0.7
135.08081	0.2
135.11748	0.2
140.32558	0.1
143.01033	0.1
143.08560	0.1
145.10167	0.5
147.11697	0.4
149.09723	0.1
149.13187	0.2
159.11703	0.2
173.13263	0.1
184.07343	100.0
185.07697	1.1
222.08904	0.4
227.25108	0.1
238.08414	0.1
240.09944	0.1
275.20035	0.9
282.10791	0.1
304.26346	0.2
306.27896	0.2
335.25769	1.3
349.23773	0.8
387.29141	0.2
496.34045	0.2
541.17419	0.1
550.35010	0.2
573.75684	0.1
609.45215	2.0
650.43372	0.2
665.50732	0.2
676.45428	2.1
700.45325	0.2
772.54584	0.1
788.53302	0.5
806.55060	2.3
807.52319	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	806.5545
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.7
57.03444	0.2
57.07077	0.2
58.06322	0.1
58.06590	1.5
58.06837	0.1
59.07377	1.4
60.08167	5.7
67.05512	1.1
69.03445	0.1
69.07054	0.6
70.06596	0.2
71.07378	3.2
71.08636	0.2
71.51541	0.2
79.05496	1.0
81.03426	0.2
81.07063	1.1
83.04982	0.2
83.08633	0.2
84.74384	0.1
86.09708	29.0
87.10065	0.4
91.05488	0.8
93.07042	1.0
94.61090	0.1
95.04981	0.2
95.08607	1.0
97.06534	0.3
97.10226	0.2
98.98466	3.0
104.10748	3.4
105.07020	0.9
107.04925	0.1
107.08595	0.6
109.10144	0.3
117.07032	0.3
119.08571	0.6
120.36857	0.1
121.10156	0.3
123.08040	0.1
125.00009	18.6
129.07004	0.2
131.08536	0.4
133.10117	0.7
135.11674	0.1
145.10129	0.2
147.11716	0.2
149.09637	0.2
179.14305	0.3
184.07346	100.0
185.07709	1.0
219.17314	0.1
220.48117	0.2
222.08868	1.5
224.10521	0.2
226.64088	0.1
238.08478	0.2
239.09236	0.2
240.09656	0.2
267.15894	0.3
275.20081	0.8
282.11029	0.2
304.26453	0.1
310.17560	0.1
331.26099	0.2
335.25800	1.0
340.53714	0.1
341.12411	0.2
349.23639	0.5
354.13086	0.4
367.32007	0.2
373.11053	0.3
387.28784	0.3
478.33044	0.2
550.34662	0.4
559.43842	0.2
569.33130	0.2
609.36145	0.2
609.45129	1.9
627.45435	0.1
650.44086	0.6
665.50708	0.3
676.45172	0.1
718.46515	0.2
772.53778	0.5
788.53876	0.1
806.55286	1.3
807.53735	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	806.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	14.5
59.29190	1.8
65.03931	2.5
67.05502	41.6
67.62962	1.7
69.03414	3.9
69.07068	16.7
70.01585	6.7
71.04984	5.2
74.00593	1.4
79.05070	2.4
79.05498	35.3
79.79833	1.3
81.03423	67.0
81.06592	2.8
81.07060	52.1
83.04986	8.3
83.08624	19.6
85.02898	2.4
85.15079	1.3
91.05484	34.9
93.07053	36.2
95.04974	25.0
95.08611	16.9
97.02881	3.2
97.06535	7.7
97.10173	7.9
98.21104	4.6
99.08080	2.2
105.07032	27.8
107.04962	8.3
107.08596	19.7
109.06512	5.8
109.10159	9.4
111.04465	2.0
111.08096	7.5
115.05463	2.2
117.07005	9.2
119.08579	19.4
121.06506	4.6
121.10143	13.4
123.08065	3.8
123.11710	2.7
125.09618	6.6
128.06261	1.8
129.07011	11.6
131.08575	14.9
133.06482	4.5
133.10132	15.7
135.08061	3.6
135.11732	8.3
137.09616	4.5
141.06999	1.9
142.07800	2.1
143.08540	3.7
145.06480	3.4
145.10120	9.2
147.08052	5.5
147.11703	10.9
149.09648	7.9
149.13248	6.7
155.08578	2.8
157.10144	11.2
159.08037	1.7
159.11713	6.0
163.11162	5.6
169.10176	1.7
171.11670	3.1
173.13158	2.5
175.11185	7.1
177.12689	2.2
183.11679	3.0
184.07309	4.2
185.13315	2.1
189.11234	3.4
193.12231	16.2
195.11807	2.0
195.13802	4.1
197.13087	1.8
199.10928	1.8
211.13234	2.3
227.12753	4.8
239.17957	1.9
249.14856	2.2
255.15923	9.1
257.19055	2.5
267.15924	62.1
268.16345	1.8
269.17505	23.0
275.20068	13.2
349.23819	10.9
367.24850	2.2
369.24277	4.5
387.25021	2.0
421.25684	3.7
435.27103	1.9
437.87985	1.6
443.28067	10.7
447.21832	2.3
447.27441	18.0
461.29016	100.0
462.29242	5.5
467.31534	2.1
467.89633	1.7
479.30014	1.7
493.31573	8.1
523.34003	2.4
541.35272	19.4
559.36047	5.4
806.21771	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	806.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	16.8
57.07060	2.1
59.05003	2.9
59.67146	2.2
61.02931	4.4
65.03934	4.6
67.05508	82.4
69.03419	8.2
69.07070	30.7
69.64071	1.7
70.08035	8.8
71.05002	20.6
73.02913	4.1
79.05495	69.6
81.02940	2.2
81.03421	67.6
81.07059	92.6
83.04985	24.6
83.08618	31.7
85.02908	25.2
85.06541	5.1
86.09692	8.0
91.03980	3.1
91.05484	81.2
93.06480	3.8
93.07050	62.0
95.04974	32.0
95.08611	33.1
97.02893	9.8
97.06544	24.1
97.10169	12.0
98.21080	5.3
99.08093	4.5
103.05469	2.4
105.04514	2.8
105.07034	52.3
107.04964	18.4
107.08603	35.7
109.02879	3.6
109.06532	10.9
109.10162	20.4
109.78606	1.6
111.04465	2.8
111.08084	14.0
113.05945	2.4
115.05461	4.8
115.07579	2.5
116.07066	2.1
117.07034	23.3
119.05034	2.0
119.06042	1.7
119.07800	3.3
119.08584	35.9
121.06516	6.3
121.10144	24.0
123.04428	2.2
123.08060	7.6
123.11703	5.5
123.38963	1.6
125.00053	2.1
125.09629	9.1
127.03937	4.5
127.07662	2.0
129.05476	4.7
129.07013	17.7
131.08566	25.4
133.06511	5.6
133.10138	31.2
135.08061	6.6
135.11717	6.8
137.09634	5.9
139.11208	2.1
141.07019	2.2
142.07831	4.2
143.08603	4.8
145.06516	2.6
145.10124	13.3
147.08080	3.6
147.11710	22.6
149.09621	14.1
149.13277	14.8
153.01814	3.3
155.08427	2.0
157.10149	22.2
157.11353	3.6
159.11729	12.9
161.09669	4.5
163.11165	9.5
165.12814	4.8
169.10139	2.1
172.96393	1.8
173.04472	2.4
173.11816	2.3
173.13208	2.3
175.11201	15.0
177.12762	3.5
180.59315	1.7
184.07343	15.3
189.11227	3.3
191.10696	2.0
193.10629	3.5
193.12260	33.7
195.13831	4.3
209.11787	2.7
211.13283	34.2
227.12813	6.8
229.14369	7.0
239.17897	2.7
247.20425	2.3
249.14999	1.9
251.16447	1.8
253.14549	2.2
257.19022	6.9
267.15906	32.0
269.17505	15.0
271.17081	2.2
273.18527	4.0
275.20059	24.5
283.15387	2.4
285.16965	37.8
301.16577	3.3
302.39618	1.8
331.22769	3.1
339.18069	3.4
349.23840	15.1
351.23480	1.8
352.77036	1.8
381.26517	3.2
387.25275	2.8
413.21793	6.9
421.25882	2.8
435.27594	2.3
437.25311	1.9
439.27011	13.7
443.27890	4.3
461.29031	39.0
479.30072	100.0
480.30295	5.0
541.35297	16.4
559.36383	25.6
560.36151	2.4
577.37384	3.3
587.31818	2.7
591.38922	10.8
605.32904	5.1
623.34351	25.6
624.34509	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	22.0
58.99249	2.0
59.04999	5.4
61.02914	5.0
62.58917	1.7
65.03928	4.6
67.05509	100.0
68.05813	2.2
69.03447	8.5
69.07076	28.0
69.77509	8.3
71.01336	2.2
71.04993	15.3
73.02922	2.0
79.05499	62.8
81.03423	81.1
81.07061	74.9
82.03751	2.2
83.04983	18.9
83.08627	29.3
85.02920	11.4
85.06532	5.4
86.09711	3.2
87.04482	4.4
91.03941	2.2
91.05485	65.7
92.05818	2.2
93.06485	3.6
93.07050	53.9
94.07328	1.9
95.04979	33.6
95.08612	36.8
97.02897	7.3
97.06532	15.2
97.10179	12.4
99.08092	5.0
103.05445	2.0
105.04544	1.6
105.07041	45.7
106.07370	1.7
107.04955	11.9
107.08604	29.8
109.02911	1.7
109.06526	8.7
109.10168	43.7
111.04448	3.5
111.08090	12.5
115.05463	3.5
117.07019	21.4
119.07796	3.2
119.08592	36.9
120.08949	2.1
121.06517	7.4
121.10148	23.4
123.04435	1.9
123.08081	7.3
123.11716	6.6
125.00008	2.0
125.09635	13.3
127.03944	2.7
129.05482	4.2
129.06998	16.3
131.08574	27.0
133.06541	3.4
133.10130	29.7
134.10458	2.1
135.08031	5.7
135.11710	13.3
137.09607	6.1
141.06976	2.3
142.07726	4.3
143.08563	7.2
145.10155	18.6
147.08051	7.3
147.11703	19.2
149.09642	14.8
149.13232	6.5
151.11221	4.5
153.09125	2.2
155.08545	4.2
155.10678	4.0
157.10123	12.6
159.08101	2.3
159.11708	12.4
161.09549	2.7
161.13258	4.5
163.11194	11.2
165.12798	2.5
169.10088	4.6
171.08089	2.2
171.11699	6.7
173.09715	1.7
173.11748	9.9
173.13284	5.0
175.11195	12.9
177.12810	3.2
179.14436	1.9
181.10179	3.1
183.11722	2.6
184.07303	8.2
185.13225	4.7
189.11217	5.3
189.12741	3.2
191.10695	2.1
193.12251	28.7
195.11792	2.3
197.13223	3.8
199.13269	3.7
199.14926	2.4
209.01671	1.9
209.13364	2.7
211.13293	25.3
211.15053	3.6
216.77092	1.7
225.14832	2.2
227.12794	10.3
229.14330	23.3
239.18103	2.8
243.15822	2.9
253.14392	6.3
257.19159	3.2
259.20651	5.9
267.13336	1.5
267.15912	43.8
268.16266	3.7
269.17343	5.7
273.18582	2.4
275.20175	11.0
283.15341	4.5
285.16925	16.9
291.19507	3.8
293.21027	5.9
301.16559	4.4
301.19879	2.0
313.21497	1.8
333.24527	2.6
349.23709	8.7
351.23276	3.0
357.91617	2.0
367.24957	4.1
369.24118	2.6
387.25235	3.0
399.23895	8.1
421.25836	6.1
423.27084	2.3
433.31210	3.2
435.26797	2.2
439.26791	13.7
443.28085	2.3
447.26801	2.3
451.31863	2.3
461.29065	13.6
462.29327	2.2
511.28760	1.9
517.35126	5.3
525.35852	14.1
541.34784	5.4
543.36798	26.1
557.38666	2.3
559.36151	11.4
575.39331	5.6
609.36133	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26208	1.6
57.03196	1.9
57.03444	25.0
57.07072	4.4
59.04979	2.0
61.02921	6.6
65.03927	6.4
67.05509	100.0
68.05813	2.3
69.03438	13.2
69.07072	35.8
69.22265	7.6
69.22678	6.2
71.01347	7.6
71.04998	9.0
71.23216	1.7
73.02922	8.2
77.03931	2.3
78.47984	1.5
78.64832	1.4
79.05497	74.0
79.05968	3.8
81.03423	43.0
81.07059	79.0
82.04202	4.1
83.04984	21.5
83.08623	24.3
85.02905	11.9
85.06550	5.5
86.09740	2.0
87.04435	1.9
91.05486	66.4
93.07050	51.3
95.04975	32.5
95.08606	35.3
97.02895	14.3
97.06537	18.3
97.10173	18.1
98.07313	6.1
99.04447	4.0
99.08077	2.5
105.04549	1.8
105.07032	37.6
107.04951	16.0
107.08598	34.9
109.06528	7.7
109.10166	33.5
111.04436	4.8
111.08088	12.5
113.05975	2.1
115.05439	3.4
116.04710	6.9
117.07024	15.8
119.04963	1.8
119.07807	2.3
119.08592	27.7
121.06487	4.4
121.10160	15.2
123.08062	12.0
123.11690	4.8
125.05938	1.8
125.09638	17.2
127.03881	3.6
128.06171	1.8
129.05493	19.9
129.06973	10.1
130.07793	1.7
130.22357	1.6
131.08566	16.2
133.06522	3.1
133.10139	27.5
135.08058	5.6
135.11705	25.8
137.09605	6.8
139.11195	2.1
141.06999	1.8
142.07712	1.9
143.07022	4.4
143.08551	4.2
145.10147	15.3
147.08057	2.6
147.11658	11.3
149.09641	11.8
149.13290	2.9
151.11139	5.1
152.96747	1.8
153.09088	1.9
153.12732	4.7
155.08603	2.2
155.10634	3.3
157.08623	9.0
157.10127	12.0
159.11661	6.3
161.09555	3.4
161.13293	2.8
162.67453	2.0
163.11171	17.3
165.09187	1.7
165.12668	2.6
171.10178	4.0
171.11668	3.5
173.09607	4.0
173.11685	5.9
173.13145	2.8
175.11176	8.2
177.12686	3.4
181.12238	7.5
184.07327	6.9
185.11694	2.7
189.11298	7.8
191.10707	2.4
193.12241	23.9
199.11583	1.8
199.13255	8.6
199.14839	1.7
200.14061	2.6
209.11714	6.0
211.13275	15.5
223.13326	3.5
227.12776	14.8
229.14349	13.9
243.15865	4.4
249.15039	2.0
253.14377	5.5
255.15875	16.8
267.15897	19.0
268.16495	2.1
269.17294	5.9
273.18399	6.4
275.20044	9.1
283.15414	6.0
285.16910	17.1
291.19650	9.8
301.16452	36.5
349.23618	5.4
365.23218	5.4
366.23550	2.3
399.23819	3.3
409.25650	1.8
421.25836	2.0
423.27209	1.8
439.27002	8.1
447.61954	1.7
461.28421	2.2
469.27853	4.4
481.27774	5.4
511.29156	5.1
543.06946	2.0
559.35449	4.7
591.34955	2.3
609.36163	7.5
634.63782	2.0
787.41907	2.7
807.44928	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	806.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	22.9
59.04993	5.3
60.42244	1.5
60.79789	1.6
61.02913	2.7
65.03932	5.1
65.65105	1.5
67.05508	100.0
69.03427	9.1
69.07077	20.7
70.76626	3.7
71.01337	1.9
71.05003	11.1
73.02920	4.2
74.93440	1.7
79.05499	53.4
81.03421	70.1
81.07062	53.7
82.03728	1.8
83.04993	22.9
83.08623	30.7
85.02914	31.1
85.06555	3.3
86.09719	1.7
87.04467	3.7
91.05486	54.7
93.07046	31.5
95.04968	35.0
95.08617	20.0
97.02887	8.2
97.06548	7.1
97.10177	14.7
99.08099	2.4
105.04536	2.3
105.07036	29.3
107.04951	12.9
107.08610	20.4
109.06532	6.6
109.10161	60.8
111.04443	4.1
111.08068	13.6
113.05953	2.8
116.06307	1.8
117.07033	5.7
119.08585	32.1
121.06504	3.2
121.10143	15.3
123.08052	5.1
123.11695	3.8
125.09629	13.4
129.05481	4.6
129.06999	12.5
131.08589	14.8
133.06500	3.0
133.10118	19.0
135.11678	5.8
137.09637	8.0
142.07822	1.9
145.06497	2.1
145.10156	5.9
147.08104	4.1
147.11696	15.6
148.34393	1.6
149.09630	7.9
151.11235	3.0
153.12767	3.0
155.10689	6.6
157.10139	12.6
163.11176	11.8
165.12653	3.2
173.09688	3.6
173.11789	16.3
175.11197	19.1
181.12309	3.0
184.07353	1.9
191.10638	4.1
193.12253	59.5
194.57324	1.8
199.13341	6.0
204.00288	1.9
209.11797	6.0
211.13304	74.9
212.13794	1.7
227.12810	7.3
229.14368	46.4
253.14281	2.3
267.15924	25.5
268.16168	3.1
269.17471	3.8
283.15424	5.7
285.16998	52.3
291.19397	2.0
301.16495	11.4
381.22592	1.9
393.06863	1.7
399.23828	16.3
409.25772	4.4
421.25824	11.4
423.27515	1.9
427.26935	3.4
439.26962	42.7
440.27725	2.1
475.26740	2.0
493.27768	3.9
511.28729	9.1
529.29895	2.7
541.34985	2.1
559.35577	2.9
591.34619	2.6
609.36285	35.3
610.36176	2.3
652.45142	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	806.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	22.1
57.07073	4.7
59.05001	2.8
61.02914	5.7
61.43308	1.5
64.55830	1.8
65.03934	5.6
67.05511	100.0
68.05827	1.7
69.03423	11.4
69.07075	47.3
71.01363	2.9
71.05000	7.9
73.02908	4.5
77.03915	2.0
79.05499	60.3
81.03426	34.6
81.03890	1.1
81.07066	72.6
82.04203	3.1
83.04984	20.4
83.08623	17.9
85.02914	11.4
85.06531	5.7
91.03957	1.8
91.05486	66.9
93.06481	3.4
93.07052	54.1
95.04974	25.6
95.08620	37.4
97.02898	10.5
97.06533	22.7
97.10182	18.5
98.07317	4.7
99.04475	1.9
99.08058	2.4
103.05492	1.9
105.04506	3.2
105.07038	42.2
107.04974	17.1
107.08609	34.0
109.02895	2.3
109.06554	8.1
109.09471	3.3
109.10168	46.9
111.04493	2.1
111.08090	9.0
113.06010	1.6
113.09613	2.1
115.05445	3.9
116.04747	9.3
116.62615	1.7
117.07040	15.8
119.08595	39.2
121.06509	4.5
121.10169	19.4
123.08067	9.2
123.11699	5.5
124.99975	1.9
125.09642	20.5
127.03878	2.0
127.11302	2.0
128.06245	2.4
129.05499	24.7
129.06976	10.5
130.07803	1.9
131.08598	22.5
133.06493	3.3
133.10133	31.7
135.08038	9.2
135.11700	11.8
137.09601	15.5
139.11140	1.7
141.09189	1.8
143.07042	5.1
143.08571	5.5
145.06552	1.8
145.10144	17.8
147.08089	3.0
147.11707	15.2
149.09631	20.6
149.13229	4.1
151.11197	6.0
153.09190	1.9
155.08534	4.0
155.10651	6.3
157.08620	11.2
157.10147	8.8
158.05832	2.4
159.08075	3.3
159.11754	13.1
161.09560	3.2
161.13243	4.4
163.07472	1.7
163.11191	14.1
165.09222	1.9
165.12733	3.1
169.10101	3.2
171.10197	6.2
171.11713	3.6
173.09676	2.8
173.11749	11.1
173.13301	5.5
175.11232	6.6
177.12750	3.5
179.14336	4.5
181.12253	3.1
184.07385	9.9
185.13260	3.3
187.11096	2.4
187.14830	1.9
189.11281	8.3
189.12724	2.4
193.12267	13.9
197.13237	3.7
199.13287	7.7
200.14081	4.1
209.11765	6.1
211.13281	7.7
214.87624	1.8
221.57808	1.8
223.13342	4.0
227.12769	11.4
229.14359	15.7
229.19418	2.3
247.20811	2.5
253.14371	7.4
255.15741	3.5
257.19128	8.7
267.15973	9.5
273.18588	5.9
275.20062	33.2
283.15417	7.2
285.16965	5.7
291.19601	15.8
293.21170	4.3
301.16483	39.6
331.22464	2.0
349.23743	32.4
365.23331	5.2
383.24127	2.0
397.22211	5.1
425.25055	2.1
436.88065	2.0
439.26816	4.0
455.26331	7.0
479.29935	7.2
519.32996	4.3
541.35236	3.3
557.34949	2.8
575.35803	23.3
579.30621	2.0
609.36157	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	805.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	26.5
57.07059	2.1
58.20210	1.7
60.08157	5.6
65.03930	6.9
67.05509	100.0
68.00880	1.9
69.03432	3.4
69.07062	16.0
69.93876	10.3
71.04993	4.1
71.07353	4.0
79.05496	58.0
81.03407	7.0
81.06586	3.6
81.07064	65.6
82.07394	2.3
83.04974	4.9
83.08604	8.9
85.06548	14.6
86.09714	36.7
87.10043	4.5
89.06004	3.4
91.05486	47.4
93.07050	54.7
94.04211	1.9
95.04373	3.7
95.04979	69.5
95.08616	45.7
96.39960	1.9
97.02882	3.1
97.06528	6.4
97.10156	4.3
98.98466	5.9
99.08089	2.1
105.07038	29.4
107.04968	12.4
107.08604	32.0
109.06525	68.8
109.10158	17.6
111.08122	2.6
113.06018	30.9
117.07004	16.7
119.04968	2.7
119.08573	19.7
121.06534	6.1
121.10152	16.0
123.08074	5.8
125.00015	21.2
129.07001	7.7
131.08554	21.7
133.06485	4.0
133.10150	13.4
135.08069	50.3
135.11719	13.6
137.09523	3.6
143.08540	10.8
145.10110	12.2
147.08026	7.9
147.11681	6.3
149.09631	7.3
149.13284	3.3
151.11186	2.5
157.10149	6.1
159.08015	2.7
159.11707	10.1
161.09671	9.7
161.13208	4.3
163.11188	3.6
171.11647	3.3
173.13261	7.4
175.11209	3.4
177.12738	6.0
181.10074	1.8
183.11833	3.1
184.07352	88.4
185.07666	7.6
185.13190	2.2
187.11296	2.4
199.14868	3.0
217.15793	10.8
227.18002	2.3
233.15419	2.3
235.29944	2.1
244.51405	2.4
255.17519	4.4
261.22253	3.0
273.18515	37.8
279.15762	2.3
291.19556	97.2
292.19867	3.1
309.20401	3.7
324.94635	2.3
330.80853	2.3
335.25827	87.6
336.26184	3.9
347.22168	9.5
365.23422	15.5
466.66931	2.1
545.37823	2.6
579.38245	3.6
607.43689	13.9
608.43341	2.0
625.34576	3.4
625.44598	58.1
626.44702	4.8
655.40967	3.8
805.53699	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	804.5388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.6
57.07075	0.3
58.06593	1.6
59.07377	1.2
60.08167	5.6
61.02919	0.2
61.78475	0.2
67.05503	1.6
69.03439	0.3
69.07076	0.6
69.21851	0.2
70.06596	0.3
71.07376	2.9
71.16847	0.4
79.05495	1.0
81.03432	0.6
81.07048	1.3
83.04965	0.3
86.09710	26.6
87.10045	0.2
91.05475	1.0
93.07053	0.7
95.04991	0.4
95.08610	1.0
98.98469	2.8
104.10744	3.2
105.07032	0.5
107.08617	0.7
109.10156	1.0
110.71021	0.2
111.08098	0.2
117.07075	0.2
119.08575	0.5
121.10151	0.4
125.00010	18.9
131.08595	0.5
133.10159	0.2
145.10136	0.4
177.12833	0.2
184.07347	100.0
185.07707	0.6
202.15933	0.6
209.62920	0.2
222.08939	1.5
229.14357	0.2
240.09926	0.2
257.41940	0.2
282.11053	0.3
300.13699	0.9
341.12375	0.2
354.12897	0.4
358.59720	0.2
478.33029	0.2
490.35999	0.3
550.34692	0.4
650.43219	0.5
700.44879	0.7
718.45972	0.3
770.52527	0.5
798.13678	0.2
804.54230	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	804.5387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.8
57.07058	0.4
58.06608	0.6
60.08165	6.3
67.05514	0.9
69.07057	0.4
71.07378	4.9
71.08647	0.4
79.05481	0.6
81.07050	1.0
83.08599	0.4
85.10148	0.2
86.09708	33.0
87.10006	0.3
91.05473	0.4
92.81982	0.2
93.07035	0.7
95.08606	0.4
97.10169	0.4
98.20724	0.6
98.98467	3.7
104.10752	2.7
105.07058	0.5
107.08566	0.6
109.10146	0.6
114.57345	0.2
121.10137	0.2
125.00010	21.9
125.09646	0.4
131.08557	0.3
137.06003	0.3
183.19395	0.2
184.07346	100.0
185.07695	0.9
186.07953	0.2
228.13164	0.2
235.73665	0.2
275.20029	0.3
276.20459	0.3
278.92838	0.2
303.90280	0.2
304.26239	0.3
313.27765	0.3
390.83850	0.2
496.34271	0.3
589.47198	0.6
676.45966	0.2
719.95374	0.2
752.72430	0.2
772.50653	0.3
804.53870	7.1
805.53540	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.6
57.03425	0.1
57.07085	0.2
58.06590	1.5
58.06836	0.1
59.07378	1.0
60.08168	5.9
62.46732	0.1
67.05501	0.6
69.07063	0.3
70.06618	0.3
70.69231	0.2
70.69560	0.2
71.07377	3.6
71.07763	0.3
78.78741	0.1
79.05516	0.3
80.84700	0.1
81.07066	0.4
83.08620	0.2
83.65754	0.1
86.09710	30.5
87.10048	0.3
91.05492	0.3
93.07050	0.4
95.08606	0.5
95.32284	0.1
98.05983	0.1
98.98473	3.3
104.10756	3.6
105.07024	0.3
107.08582	0.2
109.10143	0.4
117.07011	0.2
119.08580	0.2
125.00011	20.4
125.09621	0.1
131.08537	0.2
133.10167	0.2
135.11679	0.1
163.01530	0.2
184.07350	100.0
185.07689	0.9
222.08917	1.3
223.41090	0.1
224.10472	0.3
238.08426	0.2
240.10007	0.3
252.09935	0.2
261.76617	0.1
302.24744	0.2
304.26376	0.1
312.40027	0.1
341.12363	0.2
354.13190	0.3
373.11493	0.2
438.22864	0.2
496.33655	0.3
550.34711	0.3
650.43652	0.4
700.45795	0.7
718.46484	0.3
734.15259	0.1
770.52014	0.2
804.54010	1.4
805.50671	0.4
832.02246	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	804.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	12.3
57.07076	2.6
57.82345	1.4
65.03944	3.1
67.05506	65.1
69.03432	6.4
69.07064	15.6
70.25139	5.6
70.42485	1.4
71.04969	6.8
72.87244	1.3
73.23624	1.5
79.05492	50.6
79.36540	1.3
81.03419	78.6
81.07054	66.4
83.04990	11.0
83.08617	20.4
85.02888	2.7
85.06531	5.1
91.05482	71.0
93.07046	38.7
95.04967	31.9
95.08605	26.7
97.02895	2.9
97.06549	8.7
97.10152	3.7
98.20732	1.6
98.30006	1.7
99.04433	3.2
99.08129	1.5
103.05450	1.8
105.06316	3.0
105.07031	55.8
107.04946	14.9
107.08594	37.7
108.82889	1.5
109.06531	10.3
109.10152	55.1
111.04471	3.2
111.08063	7.3
113.06081	1.3
115.05448	2.8
117.07014	12.3
119.04913	2.2
119.08587	21.0
121.06493	11.3
121.10147	12.7
123.04454	2.5
123.08067	5.1
123.11694	8.2
125.09624	3.5
127.07568	2.7
128.06310	3.0
129.06989	12.3
131.08551	20.2
133.06490	6.1
133.10126	66.2
134.10435	1.7
135.08058	7.4
135.11678	8.9
137.09604	4.8
137.65738	1.3
139.07538	2.1
142.07729	3.2
143.08582	6.4
145.06500	2.7
145.10110	11.9
147.08022	5.9
147.11676	8.7
149.09639	10.9
151.11166	29.7
155.08557	2.4
157.10133	10.5
159.07982	3.5
159.11778	4.4
161.09573	9.1
163.11166	7.7
165.12802	3.5
169.10115	2.8
169.12201	5.3
171.11702	3.0
173.09691	2.8
175.11203	10.0
177.09029	1.9
177.12814	2.0
179.10696	3.2
181.12329	1.9
183.11668	1.8
184.07425	2.1
185.13364	2.2
189.12770	2.1
193.12247	22.2
209.11642	1.9
223.13081	1.6
227.12723	10.9
229.14337	5.5
245.15524	1.9
245.18982	4.4
251.12628	1.5
253.14349	100.0
254.14690	1.8
263.20065	3.1
267.15915	61.4
273.18466	17.9
283.15424	5.1
287.20053	9.5
291.19568	24.5
301.16751	1.6
309.20490	2.5
339.00516	1.5
343.22766	2.2
347.22144	7.7
365.23245	33.6
367.22836	2.1
371.22238	3.9
389.23248	3.5
421.25665	1.9
437.25272	4.4
445.25934	22.7
463.26959	23.5
465.30017	4.9
483.31046	4.2
491.39914	1.5
501.21277	1.7
501.28391	1.7
539.33698	18.3
557.34741	90.1
558.34814	4.8
575.35382	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	804.539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.8
57.07074	0.2
58.06351	0.2
58.06610	0.6
59.07376	0.3
60.08166	5.6
63.43641	0.1
67.05511	0.9
69.07064	0.3
69.31848	1.3
71.07376	3.3
72.20683	0.2
79.05499	0.5
81.07048	0.5
83.08629	0.2
86.09710	29.0
87.10042	0.2
89.06016	0.2
89.82314	0.1
91.05466	0.3
93.07033	0.5
95.08645	0.2
98.20810	0.4
98.98474	3.3
104.10751	2.7
106.28068	0.2
107.08623	0.3
117.07014	0.2
119.08575	0.4
125.00011	18.9
184.07349	100.0
185.07651	0.7
190.46672	0.2
222.08995	0.2
290.21182	0.4
335.25793	0.2
344.18335	0.1
496.33484	0.2
523.09607	0.2
624.45770	0.2
663.48383	0.2
676.45496	2.6
700.44843	0.3
713.09381	0.2
786.52057	0.4
804.40326	0.2
804.53851	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	804.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	11.8
57.07069	1.3
65.03927	1.8
67.05508	29.4
69.03436	9.9
69.07076	21.6
69.38151	9.9
71.04981	4.0
79.05496	30.9
81.03421	66.3
81.07060	29.1
83.04974	7.0
83.08621	18.0
85.06544	2.5
91.05481	29.0
91.20298	1.0
93.07046	21.3
95.04974	24.1
95.08602	12.3
95.16223	1.2
97.02901	11.1
97.06531	5.3
97.10169	15.6
98.20815	1.5
99.08081	1.3
105.04491	1.4
105.07032	25.5
107.04954	11.0
107.08594	15.3
109.06529	5.7
109.10159	10.6
111.04445	1.5
111.08075	6.9
115.05459	2.2
117.07012	9.5
119.04939	2.1
119.07807	1.7
119.08587	20.1
121.06490	6.1
121.10136	8.3
123.08064	4.2
123.11689	1.4
125.09624	11.0
128.06216	1.4
129.07037	10.2
130.07771	1.4
131.08575	14.5
133.06505	4.9
133.10139	12.1
135.08046	4.0
135.11717	3.3
137.09631	2.5
141.07019	1.4
142.07834	2.6
143.08569	4.3
145.06485	1.9
145.10149	7.0
147.08081	6.7
147.11673	9.9
149.09644	6.4
151.11157	1.8
153.12746	1.6
157.10150	7.5
159.11708	3.4
161.09630	3.0
163.11143	3.4
165.09113	2.5
165.12758	2.0
173.09793	1.5
175.11226	8.1
185.13229	1.5
189.11201	4.1
193.12247	13.3
205.12218	1.6
207.13918	1.2
211.13284	2.4
219.13826	4.3
223.13318	15.1
227.12772	10.6
231.13741	1.5
245.19128	1.3
249.14923	4.2
253.14323	3.8
267.15918	69.0
268.16125	2.2
269.17401	1.3
271.46289	1.2
273.18478	9.1
283.15378	2.3
291.19553	73.8
292.19934	2.3
304.77780	1.2
313.21512	3.2
315.18982	1.4
342.44656	1.1
342.74136	1.1
365.23242	41.7
366.23346	1.6
445.26068	5.3
459.27362	4.3
477.28479	3.9
483.31781	1.3
509.30865	1.5
539.33862	6.3
557.34747	100.0
558.34888	4.3
575.22253	1.5
575.35156	2.0
812.85077	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03191	1.4
57.03442	18.0
57.07064	2.5
59.05011	6.0
61.02918	4.3
65.03943	2.8
67.05508	76.8
68.05836	2.1
69.03426	6.0
69.07072	13.4
71.01350	2.6
71.05003	5.8
71.08620	0.9
73.02906	3.7
79.05496	39.9
80.05817	1.1
81.03420	24.5
81.07060	42.4
82.07362	1.0
83.01349	9.9
83.04980	18.5
83.08621	18.9
85.02448	1.0
85.02911	16.3
85.06544	3.2
87.04478	5.4
91.03972	2.4
91.05485	28.9
93.07049	36.4
94.07393	1.0
95.04965	12.0
95.08613	17.4
97.02896	5.4
97.06533	7.4
97.10174	13.0
99.04447	3.6
99.08100	1.9
103.03963	1.5
105.04505	1.1
105.07042	17.5
106.07405	1.2
107.04949	12.5
107.08597	22.3
109.06526	9.8
109.10159	49.3
110.10423	1.4
111.04425	4.6
111.08092	6.0
113.05984	1.8
113.09607	1.1
115.05486	1.9
116.04679	0.9
117.07036	12.3
119.08594	17.0
120.08919	1.6
121.06505	5.0
121.10158	12.4
122.10405	0.9
123.04449	1.6
123.08085	11.3
123.11707	0.9
124.13645	0.9
125.05977	2.1
125.09635	16.1
127.03923	1.6
127.11197	1.0
128.06229	0.9
129.05481	2.2
129.07034	3.2
130.07774	1.5
131.08598	8.9
133.06424	1.1
133.10147	5.9
135.08066	4.0
135.11708	17.3
137.09586	5.3
139.07602	0.9
139.11180	1.3
143.06963	0.9
143.08549	1.6
143.10640	2.2
145.10124	17.7
147.08089	3.5
147.11702	3.0
149.09636	3.1
149.13208	0.9
151.11174	1.3
153.12787	5.6
155.08583	1.8
155.10628	4.6
157.10068	2.2
159.11732	2.1
163.11183	33.4
163.12552	1.7
173.04453	1.0
173.09636	5.0
173.11768	12.8
173.47386	0.9
175.11235	1.0
177.12709	1.3
181.12279	5.4
184.07346	1.8
191.10648	6.1
193.12256	3.0
199.13338	6.0
209.11739	16.7
211.13277	1.8
227.12799	13.7
229.03223	1.3
229.14360	43.9
230.14655	1.6
257.13824	1.9
265.14294	1.3
267.15894	2.8
275.20068	3.8
283.15411	100.0
284.15744	2.9
291.19449	1.3
292.19794	1.1
301.16461	13.3
311.14890	2.2
349.23569	2.5
399.23907	10.6
407.24179	2.5
425.25504	5.8
437.25369	31.7
438.25665	1.2
491.26288	1.2
503.33704	2.1
505.35010	1.4
509.27344	6.7
527.28217	1.9
607.34766	25.1
608.34515	1.5
624.43231	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03201	1.5
57.03444	17.5
57.07084	2.2
59.05001	4.9
61.02930	2.8
61.65701	1.5
65.03937	2.9
67.05511	100.0
68.05849	1.8
69.03429	8.1
69.07075	22.6
70.04428	1.5
70.56614	2.7
70.56952	1.8
71.05008	11.1
71.08640	2.8
73.02926	4.4
75.74236	1.4
79.05501	54.5
80.05819	1.8
81.03424	34.2
81.07063	65.9
82.07371	2.0
83.01353	3.0
83.04997	13.7
83.08621	24.9
85.02902	11.6
85.06551	4.7
86.09690	1.6
87.04479	3.3
91.05489	46.6
92.05837	3.3
93.07052	60.2
94.07355	2.9
95.04974	20.8
95.08617	45.7
97.02900	9.2
97.06541	14.0
97.10185	12.4
99.01798	1.4
99.04456	5.0
99.08101	3.2
103.03948	1.7
103.05453	1.9
105.04528	1.7
105.07038	36.5
106.07406	1.6
107.04976	18.1
107.08607	48.5
108.03684	1.4
109.02875	1.8
109.06523	8.7
109.10170	62.0
111.04446	5.5
111.08091	8.9
113.06010	1.5
115.05368	2.2
117.07031	17.1
119.08597	35.7
120.08934	1.8
121.06507	10.2
121.10151	23.1
123.04471	1.3
123.08081	7.1
123.11710	2.5
125.03851	1.3
125.06001	4.3
125.09644	13.9
127.03930	1.8
129.05478	5.1
129.07030	5.7
130.07779	2.5
131.08580	13.2
133.06535	3.6
133.10139	26.8
135.08084	7.2
135.11708	46.4
137.09615	5.4
139.11186	1.6
143.08594	5.6
143.10658	1.9
143.30577	1.6
145.10139	40.4
146.10484	1.9
147.08099	4.1
147.11687	7.0
149.09633	6.0
151.11237	10.1
153.12729	3.5
155.08577	3.0
155.10699	4.6
157.08649	1.5
157.10162	4.9
159.11658	5.1
161.09627	3.0
163.11198	65.6
164.11517	2.6
169.10133	2.1
171.11751	2.3
173.04436	2.4
173.09691	4.3
173.11765	16.7
173.13199	2.7
175.11209	5.0
177.12833	1.7
179.14375	2.7
181.12234	12.6
184.07353	5.3
186.05563	1.6
189.11096	1.5
189.12804	1.7
191.10678	4.1
193.12306	7.9
197.13367	2.2
199.13298	5.2
209.11687	14.2
227.12799	85.9
228.13010	2.9
229.14391	50.8
239.18300	1.8
245.18874	1.5
249.14580	1.5
253.14380	20.6
257.19131	2.0
267.15955	21.2
267.18604	2.4
269.17325	3.6
273.18585	6.1
275.20132	8.7
276.20422	4.7
283.15421	80.5
284.15765	3.1
287.20053	1.9
291.19620	5.7
299.15411	1.7
301.16531	12.1
325.21844	1.5
347.22275	1.7
349.23785	4.1
365.23328	8.6
399.19122	2.6
399.23795	24.4
417.38153	1.4
425.25488	1.6
437.25372	39.6
445.25629	3.8
457.73792	1.6
463.26923	6.0
491.26535	1.9
492.27872	1.8
503.33469	2.8
509.27374	9.1
527.28302	2.2
539.33685	2.9
543.36975	2.0
544.36841	3.4
545.38849	3.7
557.34760	23.8
575.35455	2.8
607.34863	30.6
624.43011	3.0
627.45874	1.7
642.43622	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	803.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	13.9
57.07073	3.1
59.08757	2.0
61.02913	5.0
65.03927	4.9
67.05509	100.0
68.05843	2.5
69.03153	1.7
69.03436	22.1
69.07071	38.9
69.16682	16.1
69.17085	4.5
71.05006	12.4
71.08633	3.0
73.02924	3.6
74.34570	2.0
77.03916	2.5
78.20018	2.1
79.05495	81.0
80.05817	3.6
81.02993	3.4
81.03426	41.5
81.07064	92.7
82.07384	2.1
83.01346	2.3
83.04996	21.4
83.08630	20.7
85.02913	12.4
85.06541	4.8
91.04007	2.3
91.05485	80.9
93.06484	3.7
93.07051	69.1
94.07391	2.2
95.04992	20.4
95.08609	50.9
97.02904	18.7
97.06541	21.3
97.10158	12.0
99.04456	5.7
99.08086	6.3
103.05421	3.0
105.04507	2.5
105.07043	70.7
107.04959	23.4
107.08601	48.4
109.02889	6.8
109.06537	13.3
109.10175	32.7
111.04451	3.4
111.08072	6.7
111.87376	1.8
117.07027	30.0
119.08583	50.1
120.08939	2.4
121.06489	8.8
121.10161	31.3
123.04428	3.0
123.08066	8.3
123.11666	7.0
125.09595	9.9
127.03926	13.0
128.06226	5.2
129.05481	5.0
129.07008	18.6
130.07822	2.3
131.04953	3.7
131.08575	36.1
133.06474	4.4
133.10133	39.8
135.08081	11.3
135.11687	11.8
137.09610	8.5
141.06952	5.1
142.07813	3.2
143.08588	16.9
145.06477	7.2
145.10120	33.1
147.08083	3.2
147.11694	23.7
149.09596	15.7
149.13284	10.2
151.11221	9.5
153.08994	2.3
155.08574	6.8
157.10153	10.9
159.08107	4.5
159.10425	3.6
159.11694	27.4
161.09569	6.0
161.13257	8.8
163.11195	12.7
163.14732	2.0
165.09183	2.9
165.12784	3.1
169.10107	8.8
171.11736	12.0
173.04510	11.7
173.09555	4.7
173.11852	3.2
173.13293	8.7
175.11176	5.2
175.14729	2.4
177.12718	5.8
181.10127	4.8
183.11693	7.9
185.13330	4.7
187.11218	5.4
187.14886	3.1
189.11200	3.8
189.12776	4.4
193.12160	1.9
195.11787	4.6
195.13838	3.7
197.13266	5.8
199.14926	4.1
201.12755	3.2
201.16388	2.7
207.11778	2.3
209.13245	2.9
211.14841	3.3
215.14214	2.8
217.15988	2.4
219.13858	2.1
223.14883	3.3
225.12767	2.2
227.12810	6.8
227.17867	2.3
229.14389	5.7
229.19499	2.8
239.18044	3.9
245.19240	2.8
247.20613	3.7
253.14403	3.4
257.19031	12.8
259.20517	3.6
267.15811	4.3
269.17511	7.7
273.18402	4.9
275.20062	67.3
276.20374	3.1
277.21725	2.7
281.17554	4.4
282.17691	2.8
291.19550	3.5
293.21133	7.8
299.19931	2.8
313.21844	3.4
321.24301	3.6
331.22873	4.1
337.25015	2.7
341.21292	2.5
349.23724	36.1
351.25681	2.7
367.24866	4.6
400.44968	2.3
413.21790	5.0
419.24100	3.2
435.26971	2.5
436.27527	5.6
447.31769	2.4
488.57202	2.3
525.35718	3.1
527.37463	2.9
543.36768	25.1
558.01764	2.3
623.43085	17.2
641.44189	16.1
687.40808	8.4
705.41803	4.9
785.48584	3.6
803.48523	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	803.494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50986	2.2
57.03431	14.2
57.07076	6.1
59.23029	2.1
61.02929	4.6
65.03925	7.8
66.37696	2.2
67.05511	90.4
68.05830	2.3
69.03436	26.7
69.07075	35.0
71.01345	2.1
71.04984	11.1
71.08633	3.6
73.02913	2.3
77.03938	2.9
79.05499	85.1
81.03426	40.6
81.06589	4.9
81.07065	100.0
83.04998	23.1
83.08629	17.9
85.02907	11.2
85.06552	3.1
85.75819	2.2
91.03977	3.3
91.05493	79.2
93.07054	71.7
93.07635	4.0
95.04982	20.0
95.08620	49.6
97.02896	16.0
97.06537	23.1
97.10165	7.6
99.04445	6.5
99.08070	4.9
103.05444	5.5
105.04549	4.8
105.07043	68.4
107.04958	23.8
107.08604	44.8
109.02869	6.4
109.06527	16.5
109.10162	27.2
111.04437	5.4
111.08091	6.7
115.05490	6.2
117.07024	29.6
119.08595	48.4
121.06496	9.0
121.10155	24.4
123.04424	4.3
123.08083	13.3
123.11711	8.3
125.09637	8.3
127.03948	11.6
128.06235	4.6
129.05489	3.2
129.07001	12.1
130.07672	2.3
130.88197	2.5
131.08575	46.3
133.06487	7.3
133.10129	38.8
135.08055	13.0
135.11700	15.3
137.09625	8.6
141.06990	5.2
142.07805	4.4
143.08554	13.4
145.06509	4.8
145.10146	31.9
147.08090	6.8
147.11696	29.5
149.09639	15.1
149.13272	12.7
151.07454	2.8
151.11205	7.5
155.08580	10.5
157.10152	14.6
159.08104	4.4
159.11708	17.9
161.09668	6.5
161.13274	10.0
163.11159	13.1
165.09100	2.6
165.12708	4.4
167.08565	3.5
169.10143	9.8
171.11732	9.9
173.04442	13.6
173.09708	5.9
173.13295	8.5
173.95836	2.2
175.11189	6.2
177.12701	6.7
179.14336	3.6
181.10126	4.9
183.11713	10.1
185.13254	7.1
187.11243	5.8
189.11200	4.1
189.12779	2.4
195.11816	3.4
195.13786	2.9
197.13301	8.0
199.11176	2.9
199.14836	4.6
209.13266	3.3
213.12750	3.4
213.16446	3.0
215.14305	2.8
221.13306	2.6
227.12762	4.2
229.14374	5.4
229.19540	6.1
233.18976	2.7
237.30746	2.5
239.18030	6.7
245.18979	2.9
247.20589	7.5
251.16463	2.4
255.13760	2.5
257.19070	10.2
267.16058	6.4
269.17545	9.8
273.18591	2.9
275.20084	73.4
277.21646	6.2
293.21103	10.0
327.13831	2.4
331.22574	3.3
347.22098	3.5
349.23804	40.8
351.25430	3.0
367.24664	3.5
377.23254	2.5
383.22385	3.0
397.72653	2.4
401.23267	2.8
433.30832	2.3
448.84616	2.3
463.30823	2.9
477.33612	3.1
525.35486	4.5
527.37665	3.4
529.35541	3.4
543.36578	18.8
623.43018	22.5
641.43970	20.8
653.40826	3.0
687.40570	5.1
785.47382	5.1
799.99310	3.0
803.32056	2.8
803.48694	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	803.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	31.9
57.07069	6.1
58.79433	3.3
59.43705	3.4
61.02921	8.8
65.03948	8.5
67.05510	100.0
69.03419	8.9
69.07077	28.1
69.35552	26.7
69.35975	6.0
71.04981	6.8
73.02921	3.9
79.05065	6.4
79.05495	73.3
80.05828	5.3
81.03428	24.0
81.07066	91.2
83.04972	9.0
83.08607	14.1
85.02913	10.3
85.06540	16.7
89.79318	3.0
90.37025	3.5
91.03951	5.9
91.05485	78.4
93.07053	70.1
95.04978	53.0
95.08614	43.9
97.02884	8.9
97.06539	17.6
97.10156	7.2
98.98537	4.3
99.08091	3.4
103.05445	3.7
105.07035	68.8
107.04942	25.6
107.08595	44.8
108.08929	3.8
109.02883	4.6
109.06523	51.1
109.10163	20.9
111.08083	5.9
113.06031	32.2
115.05461	5.6
117.07021	34.4
119.08590	42.1
121.06489	10.6
121.10133	22.2
123.04434	4.5
123.08070	15.7
125.09648	6.8
127.03849	4.2
128.06223	6.5
129.07024	20.0
131.08574	41.5
133.06453	6.2
133.10165	29.7
135.08047	34.5
135.11674	20.2
137.67346	4.5
139.07608	3.4
141.07016	8.0
142.07858	4.8
143.08574	25.6
145.06557	7.3
145.10124	38.5
145.69238	3.2
147.08073	8.3
147.11681	18.2
149.09605	6.9
149.13362	8.3
155.08543	9.2
157.10167	16.4
159.08040	7.5
159.11705	29.3
161.09613	10.6
161.13289	14.1
163.11269	8.0
167.08594	4.2
169.10110	10.1
171.11665	13.1
173.09602	3.8
173.13286	10.8
175.14821	8.3
177.12698	9.2
181.10172	4.4
183.11751	9.9
184.07330	3.9
185.13281	11.1
187.11145	7.2
187.14812	4.4
189.12839	6.5
195.11739	4.1
197.13197	4.2
199.14810	8.4
211.15070	3.2
217.15897	8.3
229.14339	5.7
237.16521	5.3
241.19614	6.9
257.18933	7.5
259.20471	17.1
267.94220	4.5
273.18561	23.9
275.20081	14.9
279.15936	19.6
291.19565	49.1
315.23264	5.8
327.26788	5.1
333.24353	24.4
347.22134	9.2
349.23700	9.0
351.25009	4.6
365.23312	10.0
543.37219	5.2
565.38721	4.7
605.41711	13.8
623.33374	7.3
623.42999	83.5
641.44165	33.8
803.47919	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	803.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	19.1
57.07082	7.6
59.19432	3.2
61.02928	8.8
65.03935	8.8
67.05508	89.4
69.03442	24.5
69.06728	4.5
69.07069	43.9
69.16750	28.2
69.17170	8.0
71.04980	13.7
71.08617	3.3
73.02925	4.3
77.29733	3.4
79.05064	6.5
79.05497	88.1
81.03420	52.9
81.07058	100.0
83.04996	18.8
83.08620	36.3
85.02902	16.3
85.06508	4.0
91.03922	5.1
91.05484	94.2
93.07050	77.5
95.04976	29.6
95.08607	57.7
97.02876	18.8
97.06546	17.3
97.10183	35.6
103.03936	4.3
103.05464	6.6
105.06390	6.3
105.07034	76.6
107.04978	18.8
107.08600	61.9
109.02888	5.9
109.06521	12.5
109.10171	37.6
111.08110	7.2
115.05460	5.3
117.07035	40.7
119.08574	62.2
121.06489	10.2
121.10148	40.4
123.08057	12.7
123.11706	12.1
125.09678	24.7
127.03931	6.5
128.06209	7.3
129.06998	30.4
131.08572	44.6
133.06519	9.8
133.10144	42.2
135.08009	17.0
135.11684	21.7
137.09624	9.3
141.06966	10.8
142.07816	4.9
143.08589	29.3
145.06520	7.1
145.10115	36.9
147.08022	8.4
147.11705	25.1
148.93706	3.7
149.09578	12.9
149.13269	11.7
151.11200	7.6
153.09105	4.2
155.08554	13.1
157.10133	25.4
159.08054	6.7
159.11700	32.1
161.09625	6.8
161.13260	20.2
163.11238	4.6
163.14812	6.7
167.08569	11.1
169.10172	15.7
171.11684	20.1
173.04549	5.9
173.13203	25.0
175.11198	7.5
175.14763	6.1
177.12672	5.3
179.08592	3.8
181.10144	9.8
183.11740	10.9
184.07376	15.2
185.13278	12.6
187.11235	6.3
187.14824	10.2
189.11238	18.2
193.10294	6.3
193.12245	13.2
194.11040	4.0
195.11714	10.6
197.13190	8.5
199.14882	10.7
207.11768	4.4
209.13246	9.5
211.13182	6.3
223.13145	5.1
227.12817	22.9
237.12810	4.1
239.17924	8.4
241.19530	14.5
257.19006	10.2
259.20621	14.3
267.15738	21.7
268.16245	6.0
273.18484	16.3
275.20090	26.0
289.17993	6.8
291.19571	47.5
299.23599	6.1
301.21646	10.3
302.78574	3.9
333.24277	13.4
335.25888	20.8
336.26151	6.7
349.23660	5.7
365.23218	19.0
375.25357	5.6
379.29568	7.0
453.33975	4.2
466.03076	4.4
511.34491	9.7
513.36261	11.6
525.35382	7.1
527.37592	4.8
528.37592	10.9
529.35364	6.3
531.37805	5.0
543.36859	24.7
545.38379	5.7
605.41699	11.4
623.43036	56.8
624.43262	5.4
641.43726	28.4
731.45496	4.9
749.46326	5.3
785.47931	9.7
803.49371	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	803.493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	17.3
57.07072	3.4
59.04979	4.4
65.03957	8.6
67.05508	95.9
68.05851	3.4
69.03440	23.3
69.07071	41.4
71.04987	13.4
71.08623	3.6
71.51169	6.8
77.03911	3.3
79.05073	5.5
79.05497	79.2
81.03421	47.7
81.07064	98.8
82.07385	5.5
83.04999	17.7
83.08600	18.8
85.02909	12.1
85.06542	4.2
86.09737	3.5
91.05486	100.0
92.05800	5.8
93.07047	74.8
94.07372	4.6
95.01296	4.3
95.04982	16.6
95.08606	59.4
97.02893	19.0
97.06536	44.4
97.10165	8.9
99.04453	5.1
99.08084	6.1
105.04525	6.1
105.07040	84.4
106.07364	6.5
107.04976	22.3
107.08588	53.9
108.08889	3.8
108.58764	3.1
109.02888	7.3
109.06525	13.9
109.10158	31.1
111.04422	4.2
111.08074	8.9
115.05459	5.3
116.43300	3.5
117.07027	34.0
119.04941	5.4
119.07809	4.8
119.08599	50.1
121.06509	11.1
121.10152	20.4
123.08079	7.6
123.11724	5.8
124.99999	3.7
125.09622	7.0
127.03943	14.7
128.06198	5.1
129.07013	11.2
131.08588	41.8
133.06519	6.0
133.10141	51.6
135.08072	13.9
135.11688	17.9
135.93987	3.8
137.09653	8.2
139.11159	4.4
141.06966	7.2
143.08556	13.9
145.10138	32.2
147.11714	25.5
149.09642	17.0
149.13229	6.4
151.11205	7.7
155.08517	6.3
157.10120	10.0
159.08022	4.2
159.11772	20.7
159.12843	3.7
161.09706	3.8
161.13258	6.5
163.11177	13.1
163.14958	3.1
169.10126	7.6
171.11739	8.1
173.04510	12.4
173.09702	6.3
173.13315	9.8
175.14828	3.5
177.12779	10.0
179.14313	10.0
183.11728	6.6
184.07404	13.0
185.13274	7.5
187.14845	4.5
197.13318	3.9
203.18088	4.4
211.14880	6.2
227.12767	6.9
229.14316	4.8
239.17966	7.1
247.20651	3.4
257.19086	16.6
269.17578	5.4
273.18542	5.6
275.20074	99.4
276.20322	6.7
286.35312	3.6
291.19516	5.1
293.21011	12.4
335.25989	4.1
349.23779	46.9
367.24792	4.5
399.35208	3.5
413.21851	5.3
503.13104	3.5
527.37250	8.0
543.37030	25.2
623.43219	24.5
624.43073	4.4
641.43805	14.5
687.40729	9.7
785.48456	6.7
803.48010	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	802.5674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	6.7
57.06796	1.8
57.07076	24.2
59.04984	2.5
60.08158	2.6
65.03952	1.7
67.05193	1.7
67.05509	37.1
68.17199	1.5
69.03429	5.3
69.07066	12.9
70.06596	1.9
71.04967	2.3
71.08280	2.2
71.08636	20.5
71.51430	1.6
79.05499	36.8
81.03416	5.0
81.04498	1.5
81.07058	28.9
83.04971	4.7
83.08620	24.9
85.06564	1.7
85.10184	10.7
86.09711	14.0
89.06025	2.3
91.05478	18.8
93.07042	18.1
95.04980	2.5
95.08057	2.0
95.08611	20.4
97.02900	1.8
97.06528	1.6
97.10177	46.2
98.98505	1.8
104.10748	1.7
105.07043	17.9
107.07876	2.8
107.08601	51.3
109.06543	2.7
109.10154	17.8
111.08089	2.7
117.07035	7.0
119.08593	10.5
121.10145	4.3
123.11703	4.4
125.00001	8.5
125.09639	43.6
125.10552	2.1
127.03915	3.1
131.08559	8.1
133.10158	12.2
135.08058	5.8
135.11708	3.2
137.13190	1.9
143.08557	2.4
143.10629	1.8
145.10164	12.0
147.11673	6.8
149.09621	5.4
149.40903	1.5
153.09160	4.0
157.10170	2.1
159.11703	3.2
163.11148	2.4
170.38467	1.7
171.10202	3.8
171.11665	2.1
184.07352	45.1
189.11237	20.8
227.12794	100.0
228.13127	2.1
239.17964	2.8
239.23810	1.9
257.19006	12.9
275.20065	45.5
276.20328	2.7
313.27380	70.8
314.27551	1.9
331.22565	9.2
349.23724	46.4
389.18112	5.9
483.36804	9.7
493.38791	1.6
569.45746	2.4
587.46716	58.0
605.47784	3.1
627.41284	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	802.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03195	1.3
57.03444	13.8
57.07080	40.5
61.02914	2.2
65.03934	1.7
67.05508	56.7
69.03433	6.0
69.07072	26.5
71.04991	4.2
71.08636	28.0
73.02916	1.2
79.05496	32.6
81.03426	8.9
81.07061	60.0
82.07395	1.4
83.04969	7.7
83.08623	19.8
85.02901	4.0
85.06538	2.8
85.10186	15.7
86.09711	4.5
86.42185	1.2
89.06017	1.5
91.05484	25.8
93.07047	37.2
95.04975	6.5
95.08609	41.4
97.02908	5.9
97.06541	11.2
97.10182	7.5
99.04395	1.7
99.08098	2.4
105.07036	19.2
107.04964	6.6
107.08604	21.7
109.02911	2.0
109.06511	4.3
109.10155	14.1
111.08096	4.4
115.05469	1.5
117.07027	9.9
119.08576	12.9
121.06505	4.1
121.10141	11.1
123.08060	2.6
123.11702	6.4
125.00021	3.3
125.09645	2.0
127.03927	3.1
129.05507	2.9
129.06995	3.9
131.08586	11.4
131.43941	1.3
133.10136	11.4
135.08072	4.0
135.11716	11.1
137.09627	2.2
143.08586	3.0
145.10161	8.5
147.08052	1.6
147.11678	6.5
149.09631	8.5
149.13266	11.5
149.85133	1.5
151.11249	2.1
157.10124	3.3
159.11739	7.1
161.13252	2.1
163.11206	4.9
173.04478	1.7
173.13251	3.7
175.11182	1.9
177.12784	3.2
183.11731	1.9
184.07327	17.5
185.13475	1.3
195.13829	6.0
197.13254	1.3
211.93739	1.4
217.16112	1.2
227.12721	3.1
229.19322	1.6
233.70319	1.3
239.18018	3.1
239.23671	4.1
247.20610	2.4
255.15900	15.4
257.19083	7.3
258.71152	1.4
265.05573	1.4
267.15918	2.6
269.17474	36.0
269.20181	2.3
275.20081	22.8
293.17493	2.1
293.21106	2.1
313.27368	100.0
314.27765	3.7
339.18140	1.7
349.23685	23.1
367.24829	3.5
413.21729	4.5
446.94464	1.5
493.38953	22.7
507.40479	96.8
508.40643	3.9
547.43475	2.5
587.46722	27.6
588.47168	1.4
605.47833	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	802.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.9
57.07087	2.4
59.04985	2.6
64.04295	1.6
65.03932	6.6
67.05507	100.0
68.05826	2.7
69.03441	8.5
69.07069	22.8
69.63578	10.8
71.04994	8.3
71.08635	5.1
73.02918	4.0
79.05494	80.1
80.05824	3.4
81.03423	23.9
81.07059	62.6
82.07387	2.9
83.04974	14.6
83.08620	14.1
85.02904	9.9
85.06539	5.7
86.09715	3.0
87.04463	2.0
91.05484	65.6
92.05843	2.8
93.07047	68.3
94.07381	3.3
95.04964	21.7
95.08604	28.9
96.08942	2.2
97.02893	6.2
97.06506	9.0
97.10169	12.2
98.06043	2.5
98.98490	2.6
99.04464	2.4
99.08073	5.0
103.05454	3.1
105.04536	2.7
105.07034	40.7
106.07396	2.9
107.04961	10.6
107.08595	23.8
108.08923	1.9
109.02887	2.9
109.06509	9.5
109.10157	42.6
111.04450	3.3
111.08101	6.3
115.05460	3.8
117.07036	14.5
119.08586	30.8
120.08933	2.0
121.06516	4.2
121.09378	2.6
121.10117	12.5
123.08049	6.1
123.11714	2.3
125.09647	8.5
129.05507	3.3
129.07011	16.2
130.07579	1.7
131.08554	10.8
133.06509	2.4
133.10139	18.4
135.08092	4.9
135.11674	4.8
137.09619	3.8
141.07053	2.5
142.07719	2.8
143.08560	6.7
145.10170	16.7
147.08057	5.2
147.11682	27.8
149.09639	5.3
149.13350	1.9
151.11154	2.4
155.08525	1.8
156.09334	2.6
159.11714	5.9
161.09598	4.8
161.13272	7.7
163.11145	9.7
165.12744	2.2
169.10107	2.5
171.11702	19.2
173.04449	3.5
173.11748	7.4
174.04759	1.6
175.11217	3.4
177.12802	5.0
181.12189	2.4
184.07327	4.5
187.11258	2.7
189.12759	6.0
191.10617	4.0
193.12309	3.5
197.13165	2.2
199.13345	3.4
207.13849	14.9
209.11731	2.7
211.13229	2.5
227.12828	6.7
229.14328	24.5
257.18854	2.4
267.15997	4.2
273.18512	5.4
274.18805	2.4
275.20126	7.9
277.21567	2.1
281.17499	34.6
281.20401	3.3
283.15372	4.0
291.19553	2.2
293.21167	7.2
301.16562	4.3
318.24228	2.1
320.25848	4.0
331.17520	2.8
336.25491	3.2
349.23892	5.0
351.25296	1.8
399.23676	9.3
405.26459	3.3
423.27188	2.1
435.27438	55.5
471.27686	2.3
489.28415	2.0
489.35294	2.4
494.77911	2.0
507.29526	5.0
561.37671	3.3
605.36780	30.6
606.37457	2.0
622.41510	2.1
640.43976	2.0
643.45410	4.4
802.48712	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	801.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	12.9
57.07072	2.4
59.05008	2.7
61.02942	3.5
64.28678	2.3
65.03938	8.6
67.05505	100.0
67.77007	2.1
68.92159	2.0
69.03431	38.4
69.07068	45.7
71.01357	2.3
71.05009	12.3
71.08614	2.8
73.02900	3.5
77.03912	2.5
79.05493	88.3
81.03421	56.8
81.03867	4.8
81.07055	98.1
83.04990	19.4
83.08622	24.3
85.02919	16.3
85.06541	4.0
89.29336	1.9
91.05484	80.6
93.07042	67.9
95.04958	27.5
95.08611	45.9
97.02888	27.3
97.06549	15.6
97.10191	23.4
99.04472	7.2
99.08077	4.0
103.05477	3.3
105.04551	2.8
105.07030	72.4
107.04961	29.1
107.08596	54.4
109.02898	14.7
109.06533	15.0
109.10156	31.7
111.04443	8.1
111.05268	1.8
111.08072	8.4
113.06027	2.1
115.05462	7.7
117.07014	36.2
119.04951	4.0
119.08589	57.2
121.06522	11.2
121.10147	22.7
123.08075	12.5
123.11729	4.0
125.09637	27.3
127.03915	18.7
128.06235	7.5
129.05489	4.7
129.06996	20.6
130.07790	5.2
131.04922	4.8
131.08568	36.0
133.06505	9.5
133.10135	35.7
135.08067	14.7
135.11725	15.8
137.09642	11.6
139.07491	2.5
139.11238	2.8
141.06981	6.0
142.07768	4.7
143.08577	21.5
143.54968	2.2
145.06458	6.7
145.10129	34.4
147.08057	16.3
147.11665	22.2
148.12122	2.5
149.05984	3.8
149.09613	17.1
149.13275	6.3
151.11176	5.5
153.09073	4.4
155.08556	8.9
157.06566	3.4
157.10127	18.5
159.08064	7.7
159.11700	22.5
161.05998	3.6
161.09621	13.0
161.13287	7.5
163.11188	14.3
163.14899	2.5
165.09117	5.9
165.12801	3.2
167.08574	3.4
169.10114	9.4
171.08047	3.0
171.10277	3.7
171.11717	13.3
173.04472	22.8
173.09631	8.2
173.11934	2.5
173.13300	10.4
175.11201	8.0
175.14815	2.4
177.09117	2.3
177.12755	5.5
181.10176	6.7
182.07265	2.2
183.11696	6.2
185.09648	5.3
185.13289	6.6
187.11125	4.7
187.14821	3.5
189.11240	13.8
189.12732	3.6
193.12285	6.1
195.11781	3.3
195.13589	3.5
197.13239	4.5
199.11249	3.9
199.14839	5.0
203.14273	2.8
205.12178	3.7
209.13345	3.3
213.12715	2.8
223.13182	13.7
227.12706	15.1
229.03110	2.7
229.12340	2.5
229.14333	2.5
229.19647	2.8
237.16418	2.8
239.18042	4.6
245.13742	2.9
245.19057	4.7
247.20551	3.9
249.14867	3.3
255.17584	3.4
257.19022	13.3
263.20248	2.4
267.15973	3.2
273.18491	30.7
275.16968	3.3
275.20068	67.4
291.19543	95.4
292.20020	4.0
293.21179	5.8
299.19958	2.3
315.19370	2.5
329.20880	3.0
331.22653	3.8
341.21121	3.3
347.22260	11.0
349.23749	22.0
355.22656	3.2
365.23306	22.1
383.21939	3.5
419.24210	5.9
425.31302	2.2
493.28232	2.7
519.33228	2.7
541.34918	5.2
559.37048	3.6
611.42932	3.5
621.41687	14.1
639.42682	41.1
642.44281	4.1
657.43671	3.2
660.26904	2.5
703.40179	7.7
747.44550	2.8
765.46014	3.3
783.46985	10.5
801.47858	39.0
802.47711	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	801.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	11.4
57.07073	3.7
65.03941	9.4
67.05512	85.7
67.92446	1.9
69.03437	27.9
69.07076	29.6
69.82175	11.0
71.01354	1.9
71.05006	12.9
71.08663	3.0
73.02902	2.9
77.03950	2.4
79.05501	67.4
81.03425	67.0
81.07066	100.0
83.04986	23.8
83.08625	17.0
85.02927	11.6
85.06554	5.7
91.05494	77.3
93.07053	72.2
94.07417	2.1
95.04978	22.2
95.08614	44.3
97.02900	20.0
97.06542	11.1
97.10169	6.3
98.21603	2.6
99.04469	9.9
99.08118	3.8
103.05502	4.9
105.04543	2.2
105.07040	67.4
107.04974	18.9
107.08606	48.3
109.02898	12.9
109.06531	13.0
109.10168	33.6
111.04448	9.3
111.08098	10.0
113.05939	3.0
115.05468	5.2
117.07034	25.2
119.04942	4.3
119.08592	44.6
120.08951	2.1
121.06497	13.2
121.10153	21.8
123.04465	2.4
123.08099	11.0
123.11702	7.0
125.09610	4.9
127.03922	15.3
128.06224	6.0
129.07022	18.9
130.07855	2.9
131.04897	3.2
131.08582	34.5
133.06519	10.8
133.10149	51.9
133.11722	2.6
135.08093	12.8
135.11723	10.1
137.05963	2.7
137.09613	8.7
141.06967	4.2
142.07808	4.7
143.08571	17.3
145.06477	5.1
145.10136	24.6
147.08081	10.1
147.11742	16.7
149.09633	17.6
149.13272	6.5
151.11188	19.7
155.08548	6.9
157.10176	13.0
159.08051	7.4
159.11685	19.1
161.09621	11.0
161.13286	8.2
163.11171	10.5
167.08591	4.1
169.10138	8.6
169.12257	4.0
171.08107	3.9
171.11687	8.8
171.37053	2.4
173.04449	22.0
173.09621	7.3
173.11888	2.9
173.13298	8.8
175.11217	7.1
177.09096	4.4
177.12756	4.9
181.10121	3.4
183.11700	9.1
184.07298	3.7
185.09558	3.7
185.13228	4.3
187.11227	4.0
189.12770	3.7
193.10085	2.4
193.12343	2.6
195.11719	3.2
195.13692	3.1
197.09700	2.6
197.13333	3.3
199.11192	3.8
207.13812	3.4
211.14978	2.6
217.12178	2.8
219.13632	2.6
227.17924	5.8
229.19534	4.3
237.16487	3.0
239.17978	3.0
245.19052	6.2
247.20583	5.6
251.12892	3.6
253.14395	26.2
255.17575	2.1
257.19058	8.5
263.20093	4.5
273.18542	23.4
275.20120	39.3
277.21796	2.2
291.19586	25.7
293.21146	5.7
329.20993	2.5
341.24649	2.1
347.22327	12.0
349.23639	11.3
365.23230	12.9
371.29285	2.1
383.22092	3.7
391.70642	2.3
403.30438	2.6
493.28152	4.7
541.35278	7.8
559.36359	3.4
565.38116	4.0
611.41925	2.9
621.41132	11.5
639.42603	15.6
657.43378	3.4
703.39960	5.4
765.45709	2.5
783.46692	4.6
801.48669	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	801.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	11.4
61.02923	4.1
65.03938	2.9
66.04665	1.7
67.05508	29.7
69.03085	1.9
69.03434	24.7
69.07079	7.2
69.17538	4.3
69.17961	11.0
70.06577	2.5
71.01355	2.1
71.04979	9.9
73.02926	2.0
79.05067	2.3
79.05495	27.7
81.03421	100.0
81.06597	1.9
81.07061	34.7
83.04990	19.8
83.08147	1.8
83.08623	22.4
84.08150	1.9
85.02913	20.9
91.05486	35.3
93.07051	21.3
95.04976	27.9
95.08603	11.0
97.02899	24.1
97.06541	8.8
97.10162	8.2
99.04455	6.3
99.08092	2.2
105.07031	24.5
107.04961	10.2
107.08611	10.6
109.02886	21.0
109.06494	4.7
109.10159	4.7
111.04471	9.0
111.08093	10.9
115.05427	1.7
117.06988	6.0
119.04926	1.8
119.08588	20.1
121.02879	1.7
121.06521	3.7
121.10156	8.7
123.04428	4.9
123.08062	3.7
123.11723	3.7
125.09624	4.9
127.03928	19.0
128.06310	1.8
129.05482	4.2
129.07002	11.9
131.04950	1.6
131.08565	13.2
133.06464	3.1
133.10133	9.6
135.08101	3.2
135.11679	3.9
137.09645	2.3
142.07767	3.2
143.08539	3.0
144.05843	1.6
145.06438	3.5
145.10112	4.0
147.04456	2.2
147.08002	5.5
147.11673	20.9
149.05913	2.0
149.09650	7.0
153.01915	2.1
153.12703	3.1
157.10143	13.8
161.05969	1.6
163.11232	4.4
165.12759	7.9
171.11623	2.5
173.04546	8.0
175.11218	12.6
176.21512	1.7
181.12195	3.6
183.83995	1.7
189.11275	2.0
189.12801	1.8
191.10718	3.2
193.12251	46.1
194.12560	1.4
211.13297	60.1
227.12814	3.9
229.14349	7.2
235.13354	2.1
249.14893	2.2
253.07143	1.7
255.13733	1.7
267.09109	2.1
267.15942	23.5
273.14862	2.0
277.14270	1.8
283.15479	1.8
285.10226	3.3
285.17001	21.6
290.09854	1.5
301.14243	5.8
319.15405	2.3
337.16550	3.7
355.17499	5.7
367.22690	2.1
385.23746	1.6
393.19012	4.1
393.40811	1.5
411.20398	7.6
429.21201	7.9
431.27988	1.7
438.18478	1.7
439.94647	1.8
451.27039	2.6
459.27518	14.5
477.28430	17.1
495.29529	14.2
519.29559	1.7
585.30585	3.1
603.31195	4.8
621.32910	11.9
639.33728	18.9
783.37256	4.3
801.38470	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	800.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	11.3
57.07080	37.3
65.03939	3.2
67.04879	2.5
67.05511	67.2
69.03426	7.0
69.07067	26.9
70.70184	5.5
71.04989	6.9
71.08641	29.6
79.05077	2.5
79.05503	35.0
81.03421	5.9
81.07063	69.9
83.04996	13.5
83.05404	2.1
83.08623	14.4
85.06532	5.1
85.10189	14.2
86.09712	8.7
87.10057	2.1
89.87585	2.5
91.05487	51.6
93.07057	38.6
95.04966	8.8
95.08611	43.4
97.06561	5.8
97.10191	7.4
98.20906	2.4
105.07039	48.7
107.04945	8.3
107.08594	35.6
109.06531	9.1
109.10165	57.1
111.08086	4.3
113.05979	2.9
117.07024	7.6
119.08582	13.2
121.06524	6.7
121.10155	9.7
123.04459	2.7
123.08057	2.8
123.11745	10.7
125.00013	7.1
127.07575	3.9
128.06276	3.0
129.07004	4.7
131.08580	15.3
133.06516	5.8
133.10141	77.5
135.08084	9.0
135.11702	7.2
143.08568	4.7
145.10115	6.1
147.08081	5.1
147.11697	4.0
149.09622	7.5
151.11188	32.2
157.10161	4.3
159.11723	3.1
161.09630	8.8
161.13260	2.6
163.11111	2.6
168.22244	2.3
169.12260	5.4
170.48030	2.2
171.11717	5.1
175.11298	3.6
177.09225	2.4
177.12802	3.5
184.07372	24.6
185.07890	2.2
195.00301	12.5
215.12805	2.3
239.23694	2.4
245.19119	8.1
251.12793	6.2
253.11682	4.8
253.14359	100.0
254.14697	2.6
263.19998	5.5
271.15240	2.1
273.18500	35.9
291.19528	35.5
306.03879	2.3
309.20630	3.3
313.27359	75.9
314.27698	4.1
347.22198	17.3
365.23270	50.5
409.67239	2.3
507.36615	4.3
509.38470	16.5
510.39319	2.6
585.44879	8.8
603.46191	95.4
604.46759	2.7
627.45880	3.2
628.46381	39.3
800.47156	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	800.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.4
57.07081	30.5
60.08163	2.4
61.01043	2.0
67.05513	28.9
67.97582	1.9
69.03419	9.0
69.07073	29.2
71.07360	3.0
71.08637	19.0
79.05493	20.4
81.03416	7.1
81.07057	27.5
83.04971	5.0
83.08644	12.4
85.10178	8.4
86.09285	2.0
86.09724	15.7
89.35104	1.9
90.93279	2.0
91.05477	12.2
93.07046	15.3
95.04959	6.4
95.08608	22.7
95.69535	1.9
97.02879	8.7
97.10175	13.4
98.20731	4.8
104.10711	2.1
105.07046	13.3
107.04951	5.5
107.08578	9.2
109.10155	17.2
111.04469	2.0
117.07017	4.6
119.08590	10.0
121.06502	2.9
121.10119	4.6
125.00013	13.6
125.09653	9.9
129.07011	3.0
131.08560	7.5
133.06432	3.0
133.10133	4.5
135.08072	3.4
135.11751	3.0
143.08583	3.7
145.10068	5.9
147.08037	5.1
147.11650	2.8
161.09624	2.6
163.11234	2.4
175.10988	2.6
183.10210	1.9
184.07350	45.0
185.07715	4.8
189.11194	2.6
193.12338	2.6
195.00284	2.6
201.66365	2.1
205.12337	2.8
223.13315	18.3
227.12784	5.4
273.18549	12.0
291.19562	100.0
292.19992	2.5
313.27380	72.8
347.22229	3.0
347.26038	6.3
365.23236	54.4
366.23651	3.6
523.40015	4.7
568.08862	2.2
603.46240	78.0
604.45764	4.3
628.46228	11.9
655.96075	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	800.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	17.7
57.07075	12.9
60.08149	3.5
61.02915	2.8
67.05505	70.9
69.03434	7.1
69.07069	50.5
69.47514	10.5
71.04980	6.9
71.07383	1.9
71.08643	7.1
71.08979	1.5
73.02921	2.6
79.05495	50.3
81.03427	9.2
81.07059	86.1
83.04995	7.5
83.08618	29.8
85.02885	6.4
85.03371	1.7
85.06538	3.2
85.10171	2.7
86.09712	12.5
88.46383	1.6
89.06031	2.0
91.05486	35.5
93.07045	53.4
95.04981	8.8
95.08610	43.9
97.02894	6.2
97.06538	16.7
97.10176	14.9
99.04438	2.1
99.08099	4.9
104.10743	1.8
105.07035	19.8
107.04958	4.2
107.08593	32.2
109.02911	2.3
109.06518	5.5
109.10152	17.5
111.04454	2.1
111.08072	6.8
111.11721	3.9
115.05468	2.1
117.07025	13.7
119.08594	11.9
121.06508	5.4
121.10145	27.7
123.08058	3.5
123.11702	8.7
125.00024	9.6
125.09656	5.9
126.16599	1.5
127.03886	3.4
129.05467	3.7
129.07013	4.4
131.05103	1.6
131.08563	16.4
133.10130	17.9
135.08049	3.6
135.11694	21.9
137.09636	3.0
137.13216	3.7
141.09163	1.7
143.08519	1.9
145.06491	2.1
145.10118	12.3
147.11664	9.1
149.09628	6.3
149.13260	13.1
151.11157	3.1
154.82158	1.5
155.08537	2.2
157.10167	3.2
159.11728	9.8
161.13232	3.4
163.11186	7.8
163.14798	2.9
169.10139	2.0
171.11598	3.1
173.04462	3.6
173.13275	3.6
177.12703	3.9
179.14311	1.6
181.12193	1.7
184.07349	51.2
185.07674	1.6
185.13271	1.5
189.11272	1.4
195.11842	1.6
195.13792	6.3
198.14972	1.7
219.21053	3.9
219.37614	1.4
227.12732	4.2
229.19505	2.1
237.22116	5.1
239.17877	2.0
255.15929	14.8
257.19043	8.1
261.15057	2.1
267.15955	2.7
269.17484	33.0
275.20084	24.2
283.15826	1.6
291.98001	1.5
293.20993	3.8
311.25812	100.0
312.26071	2.8
313.27225	3.5
321.24368	1.7
349.23758	24.0
363.25204	1.9
367.24673	2.3
413.21689	3.8
481.38672	2.8
491.37289	23.6
505.38904	88.8
506.39313	4.2
546.42639	1.5
585.45148	28.2
603.46118	7.4
649.42828	2.9
800.52051	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	799.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.6
57.07073	1.6
61.02938	6.2
67.05522	6.8
69.03437	3.6
69.07111	1.1
70.90203	3.0
73.02934	6.0
79.05501	3.8
81.03429	2.0
81.07057	8.3
83.08623	1.6
85.02904	4.7
86.09692	2.1
91.03958	4.0
91.05504	2.0
93.07062	2.8
95.08617	5.8
97.02899	4.4
97.06474	0.9
101.02390	1.3
105.07024	2.2
107.08553	1.8
107.23839	0.9
109.10183	1.9
118.96719	0.9
119.08621	1.3
121.10113	1.4
127.03913	2.3
127.53622	1.0
133.10104	1.1
166.15736	1.1
184.07350	5.1
243.08582	1.5
300.40549	1.0
519.29431	6.8
521.30890	7.0
757.07019	1.0
799.53333	100.0
800.53381	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	800.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.9
57.03449	2.6
57.06836	0.6
57.07082	8.5
58.06586	1.0
58.50098	0.5
60.07886	0.7
60.08166	7.0
61.02921	0.6
61.07487	0.4
65.03938	1.1
67.04883	0.9
67.05511	18.5
69.03421	1.4
69.07074	7.1
69.31939	1.1
69.32337	3.4
71.04985	1.6
71.07359	3.9
71.08635	5.4
77.28401	0.4
79.05067	0.7
79.05497	9.1
81.03445	2.2
81.06594	0.9
81.07063	17.2
83.04981	3.5
83.08627	3.3
85.06538	1.6
85.10201	2.9
86.09711	31.5
91.05488	14.4
93.07050	9.0
95.04965	2.3
95.08607	8.8
97.06515	1.1
97.10162	1.6
98.98472	4.4
104.10735	2.3
105.07037	12.7
107.04951	1.9
107.08598	10.1
107.25658	0.4
109.06540	2.5
109.10168	15.7
111.08054	1.3
113.05988	0.9
117.07008	2.1
119.08570	2.8
121.06538	2.5
121.10159	1.9
123.08061	1.1
123.11722	2.9
125.00011	23.6
127.07617	0.6
129.07033	1.1
131.08620	3.1
133.06516	1.2
133.10139	17.4
135.08076	2.1
135.11667	1.3
137.09639	0.6
143.08540	1.1
145.10153	1.4
147.08075	1.2
147.11682	1.6
149.09645	1.1
149.13185	0.5
151.11191	8.7
157.10133	0.9
159.08005	0.4
161.09615	2.4
165.09326	0.5
169.12216	0.8
171.11655	0.7
175.11119	0.5
179.10710	0.6
184.07352	100.0
185.07677	1.8
189.12761	0.8
215.12762	0.7
227.17989	0.9
239.23628	0.9
245.18993	1.4
251.12856	1.5
253.14375	42.0
255.17404	0.6
263.20071	1.8
273.18527	7.2
274.18390	0.5
291.16504	1.0
291.19559	8.8
293.95450	0.6
309.20798	0.8
313.27368	19.4
341.26849	1.1
344.69263	0.5
347.22034	3.3
365.23267	11.3
365.27420	1.0
377.90878	0.5
428.35703	0.5
507.37369	0.9
509.38449	5.7
585.44995	1.8
603.46210	20.0
604.46350	1.1
628.45880	1.4
782.56744	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	799.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	13.2
57.07061	3.3
59.05018	1.5
61.02910	3.2
61.27676	1.0
65.03925	4.3
67.05508	50.8
68.05811	1.3
68.17423	1.0
69.03432	37.6
69.07065	8.7
69.67903	1.1
70.84069	2.7
71.01355	4.1
71.05000	8.9
71.61944	0.9
73.02925	6.8
79.05495	31.4
81.03421	100.0
81.07059	32.3
82.03739	1.5
82.07368	1.2
83.01366	1.8
83.04988	21.1
83.08624	16.1
85.02911	25.9
85.06538	1.4
86.09705	2.4
87.04440	1.3
91.03938	1.5
91.05486	31.5
92.05823	1.6
93.07049	20.7
95.01324	1.2
95.04977	27.3
95.08607	11.1
97.02895	34.6
97.06537	4.4
97.10185	9.3
99.04440	10.4
99.08123	1.5
101.02351	1.5
103.03925	2.5
104.99253	1.0
105.04552	1.3
105.07030	19.2
107.04956	16.2
107.08593	10.5
109.02889	24.4
109.06525	5.1
109.10156	25.2
110.10528	1.9
111.04456	14.2
111.08090	9.2
113.02390	1.0
113.05987	1.8
115.03975	1.6
115.05433	2.7
117.07021	5.4
119.04945	2.6
119.08582	14.6
121.02872	2.2
121.06506	5.7
121.10163	10.3
123.04414	5.4
123.08048	2.4
123.11690	2.3
125.00026	2.6
125.02308	2.0
125.05989	2.4
125.09633	6.2
126.44530	1.1
127.03928	20.1
127.11240	1.2
128.06187	1.7
129.05492	2.8
129.07008	8.9
131.04941	2.6
131.08575	10.6
133.06549	5.2
133.10146	9.1
135.04391	6.7
135.08075	2.6
135.11705	6.4
137.06003	2.5
137.09625	2.5
139.03891	1.4
139.11182	1.1
141.06995	1.3
142.07774	1.8
143.03453	1.3
143.08551	4.3
145.04976	2.0
145.06477	2.1
145.10121	6.0
147.04390	2.5
147.08057	3.2
147.11679	13.0
149.05937	1.3
149.09636	5.1
149.13298	1.7
151.03922	2.0
151.11183	1.2
153.01842	2.2
153.05482	2.8
153.09064	1.4
153.12717	3.6
155.08603	2.1
155.10686	1.5
157.10133	9.9
159.08063	1.6
159.11642	1.5
161.05974	2.6
161.09613	1.7
163.03983	1.7
163.11197	9.3
165.12772	2.8
171.11635	1.5
173.04462	16.0
173.05881	2.1
173.09621	1.8
173.11743	4.9
175.07582	1.2
175.11208	9.1
177.12790	1.5
181.04903	1.4
181.12244	3.8
183.06584	1.8
184.07381	8.9
185.04449	1.5
187.07634	1.6
187.11208	2.1
189.05475	1.7
189.09271	1.1
189.11240	3.9
189.12747	1.2
191.10669	3.0
193.12241	25.9
193.13879	1.9
194.12515	2.2
197.00687	1.3
199.05942	2.1
205.12274	1.1
209.09973	1.0
209.11670	5.8
211.13297	26.6
212.13683	1.2
217.07137	2.0
217.12274	1.2
217.14334	1.2
223.13393	1.4
227.12715	10.1
229.14352	15.1
230.14751	1.2
247.13274	1.6
253.07089	1.9
265.14508	1.4
267.15942	15.3
273.14893	2.0
283.15463	6.2
285.17078	8.4
286.17355	2.3
289.14352	1.7
299.15100	1.3
301.14120	2.2
319.15503	2.5
337.16418	3.3
353.15912	3.8
355.17407	2.5
373.18826	2.6
375.18359	1.1
383.21906	1.5
409.18634	2.1
409.25882	1.2
411.20139	2.7
421.25952	8.1
422.26215	2.3
427.19791	2.4
429.20868	1.8
439.26917	13.4
440.27292	12.0
446.18085	1.6
457.25937	3.6
465.28253	1.7
475.27072	8.0
493.27826	3.9
529.28033	2.0
547.29248	1.8
565.29889	2.9
583.31036	6.2
619.30768	3.0
637.32092	5.8
781.36371	2.1
799.36792	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	799.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40812	0.7
56.96541	0.7
58.13485	0.8
59.05001	2.8
69.03394	1.3
71.50739	1.5
77.00884	0.9
81.03418	1.2
81.07057	1.0
82.99864	1.3
85.02899	1.9
91.05471	1.0
93.07040	1.7
94.47748	0.8
97.02877	1.0
98.97579	1.8
101.00887	16.4
105.07034	4.6
107.08594	1.7
112.89572	1.3
113.00907	1.2
114.89342	6.9
115.02411	1.7
116.98593	1.0
119.01931	41.0
120.01982	1.1
126.34701	0.9
129.03949	0.8
131.01933	6.3
131.08536	1.1
133.03462	3.0
133.10132	21.4
137.02965	5.6
141.03984	3.1
143.01894	9.4
144.99779	1.1
145.03539	1.8
145.04968	0.8
149.02988	1.8
151.11169	1.2
153.01797	3.1
155.01871	2.0
155.05539	4.6
156.51065	0.9
157.03481	3.2
159.05037	9.0
161.02971	11.3
168.99812	1.0
171.05005	2.3
173.02989	3.0
173.06628	4.4
175.04541	1.8
179.05568	1.2
181.07137	1.1
183.05037	1.2
185.02942	3.3
185.06577	3.6
187.00876	4.0
187.04279	0.9
191.09145	1.3
197.03059	1.0
197.06653	6.8
199.08177	1.1
200.04343	0.8
201.00777	1.6
201.06067	1.5
203.03992	3.6
203.09174	3.2
204.19321	0.8
207.08739	0.9
209.06657	1.2
209.10286	9.6
211.08165	6.7
215.04042	1.0
215.07430	1.2
215.09206	10.5
221.10211	2.6
225.09756	1.9
227.03940	0.9
227.09290	1.8
227.11324	9.0
229.01805	2.1
229.09343	0.9
233.10237	25.9
234.10423	1.2
234.40987	0.8
237.09821	1.2
245.04939	3.9
245.10248	3.4
251.11307	100.0
252.11462	5.5
255.10689	2.5
259.08228	1.1
261.02829	1.9
263.06436	0.8
263.11340	10.5
265.12863	8.7
269.12357	36.1
270.12610	1.9
275.11215	0.9
277.03400	2.4
277.09259	3.0
277.12805	0.8
278.03546	1.0
281.12408	5.3
283.13782	2.5
289.04086	1.3
292.13675	1.3
293.12308	20.7
294.12491	1.3
295.10159	3.6
303.01373	2.1
311.13361	15.9
323.13376	8.7
337.11301	23.4
338.11761	1.1
341.14343	2.2
353.14447	9.8
355.12396	0.8
366.85364	1.0
371.15643	1.7
397.13458	23.5
398.13422	1.1
413.16644	11.5
414.16635	1.1
431.08563	0.9
457.15613	42.8
458.15741	3.2
471.33392	0.8
545.04584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
59.06253	0.3
60.19102	0.4
61.02645	0.6
61.02930	6.6
65.03957	0.4
67.05509	5.3
69.03442	4.2
69.07059	1.4
71.01332	0.4
71.04993	0.8
71.29662	0.6
71.30001	0.4
73.02920	4.6
79.05494	4.7
81.03423	1.6
81.07060	6.2
83.08635	0.9
85.02914	6.0
86.09711	0.4
87.79559	0.3
91.03964	3.2
91.05478	2.1
93.07048	4.7
95.08611	5.0
97.02888	5.8
99.04472	1.1
101.02369	2.4
103.03931	0.4
105.07001	1.7
107.08582	2.5
109.02853	0.9
109.10177	2.1
115.03977	0.5
117.06990	0.6
119.08594	1.2
120.06830	0.4
121.10149	2.2
123.11687	0.5
127.03913	1.3
128.61995	0.4
131.08585	1.3
133.10175	0.8
135.11713	0.9
141.71025	0.4
149.13304	0.7
161.13335	0.7
184.07404	1.2
185.04288	0.9
203.05342	0.4
233.70474	0.4
235.64291	0.3
243.08478	2.2
363.17294	0.4
519.29291	14.3
519.37152	0.7
520.29633	0.6
797.51758	100.0
798.52045	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	798.5647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.7
58.06612	0.5
60.08167	6.1
67.05511	0.3
70.09417	0.7
71.07379	3.8
75.01165	0.2
81.07072	0.5
86.09712	28.2
95.08639	0.2
98.20897	0.3
98.98470	3.2
104.10760	1.6
125.00014	18.7
167.14854	0.2
178.57129	0.2
184.07352	100.0
185.07655	0.9
306.81290	0.2
357.03412	0.3
397.05215	0.2
466.60455	0.2
488.91806	0.2
626.44006	0.3
780.55414	3.9
826.76740	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	799.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.7
65.12110	0.6
69.03090	0.7
69.03440	11.4
71.01337	0.8
71.04984	0.9
71.51363	1.0
79.01877	1.0
79.05487	0.7
81.03427	33.3
82.03750	1.2
85.02927	2.7
91.05495	1.0
95.04987	0.6
97.02905	3.2
97.60260	0.6
99.04449	2.2
103.05455	0.8
107.04946	1.3
109.02894	18.5
117.03348	0.9
119.01280	1.0
119.04874	0.6
120.77516	0.5
123.04388	0.8
125.02384	0.6
127.03944	6.4
129.03381	1.1
131.04950	0.9
135.04407	0.6
137.02362	1.4
142.34270	0.5
145.02884	1.1
147.00748	0.9
147.04420	2.8
151.00374	0.6
153.01810	3.3
157.02881	2.5
161.02293	0.9
163.03943	4.0
165.01831	2.4
173.02415	3.2
175.03929	3.3
177.01857	2.1
179.03374	1.7
181.01251	0.9
185.02409	1.8
187.03958	5.0
189.01855	1.2
190.02589	0.7
191.03407	9.8
192.00598	1.7
193.01341	3.7
199.06055	0.7
201.01831	6.9
203.03401	11.1
204.03896	0.7
205.01431	1.6
207.02974	3.5
213.01860	4.2
215.03448	4.1
217.01352	1.9
218.01993	1.8
219.02896	10.0
221.00836	12.1
221.04274	0.9
222.01213	0.6
229.01334	7.3
230.01996	1.4
231.02914	21.0
232.03336	1.2
233.00941	3.1
233.04391	0.7
235.02399	28.2
236.02814	1.3
238.01073	8.1
239.01878	3.5
241.01352	4.0
245.00861	1.5
246.01282	0.8
247.02393	14.0
248.02907	1.2
253.03452	25.7
254.03819	0.8
257.00842	9.7
258.01422	1.0
259.02429	29.5
260.02817	2.7
261.03824	2.4
263.01730	0.8
273.00320	1.6
273.03922	0.7
275.01877	21.2
276.02591	6.5
277.03461	100.0
278.03781	7.7
279.03998	3.7
285.00381	5.4
289.03488	5.4
291.04849	1.6
293.02814	1.5
302.00574	0.6
303.01370	71.5
304.01700	7.8
305.01996	3.3
307.04504	5.1
315.01483	0.8
317.02982	1.1
319.00696	0.7
321.02478	4.7
331.00922	1.2
333.02475	1.3
335.03992	10.3
337.01877	2.8
351.03397	2.8
352.03842	2.1
353.04913	5.2
355.62601	0.7
373.05222	0.8
379.06650	1.6
419.06348	1.3
429.04550	1.6
433.56656	0.6
447.05670	3.6
461.06943	0.9
479.07983	3.4
767.07141	1.0
799.09546	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	797.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99768	0.7
69.03432	14.9
71.01334	0.7
71.04973	0.5
71.50375	0.6
71.85164	0.3
79.05515	0.4
81.03420	29.0
83.01334	0.9
85.02527	0.3
85.02918	4.5
87.63586	0.4
89.03922	1.1
91.05479	0.9
97.02893	3.2
99.04448	1.2
103.05448	1.4
105.03382	0.9
107.04923	0.5
109.02135	0.8
109.02887	17.4
111.04436	0.7
117.03384	1.1
119.04906	0.9
127.03933	5.0
129.03339	0.8
131.04893	1.3
133.02844	1.4
135.04362	0.7
145.02849	1.5
146.03581	0.6
147.04417	1.8
151.03871	0.6
153.01845	0.8
157.02850	2.0
159.04405	1.0
161.02324	2.8
162.03038	1.0
163.03897	4.7
165.01779	1.4
168.08183	0.4
173.02400	2.7
174.03143	0.5
175.03883	3.0
177.01851	0.6
179.03349	1.7
181.01262	0.4
185.02370	1.9
187.03925	5.9
188.01086	0.4
189.01846	5.7
190.02539	1.4
191.03413	6.2
193.01331	0.9
199.03926	0.6
201.01820	5.9
202.02689	0.8
203.03415	6.3
205.04988	0.6
206.02112	0.5
206.77376	0.4
207.02881	4.6
213.01878	4.2
215.03384	5.1
216.00504	0.8
217.01332	7.1
218.02119	6.0
219.02895	6.8
219.76413	0.4
221.00880	1.8
221.04233	0.6
229.01367	6.4
230.01970	1.0
231.02885	21.7
232.03517	1.2
233.04474	1.0
234.01596	0.5
235.02394	11.0
239.01982	2.0
241.01305	4.4
243.02872	1.1
244.00064	0.6
245.00826	6.3
245.04623	0.5
246.01553	1.4
247.02379	8.9
248.02988	0.7
249.03899	1.2
257.00806	8.6
258.01523	1.0
259.02396	32.7
260.02951	1.3
261.03915	1.8
262.01126	1.7
263.01865	3.2
271.02463	0.7
273.00360	6.9
274.01129	4.2
275.01868	15.5
276.02612	7.0
277.03442	100.0
278.03799	2.4
281.04312	0.4
285.00302	6.3
286.01093	0.6
287.01859	1.6
288.02686	1.0
289.03427	5.0
291.01447	2.0
291.04764	0.4
300.99832	1.7
302.00504	0.5
303.01364	88.0
304.01645	2.2
305.02908	3.7
315.01276	0.9
319.00827	4.8
321.02515	1.5
328.99213	0.6
331.00815	1.5
333.02390	7.6
351.03488	28.8
368.10327	0.5
381.02454	0.4
385.05563	0.7
411.03525	0.4
421.03989	1.3
429.04434	1.5
445.04031	1.0
447.05493	1.3
463.04880	0.5
477.06702	7.7
495.07709	0.5
797.08344	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	797.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
57.43684	0.3
68.99815	0.4
69.03436	15.5
71.01356	0.9
71.04987	0.8
71.51103	0.4
77.03940	0.4
79.05499	0.9
79.47874	0.3
81.03424	28.3
83.01353	0.9
83.04967	0.5
85.02911	1.6
89.03904	0.9
91.05472	1.2
95.04916	0.5
97.02896	2.5
98.97576	0.5
99.04450	1.4
103.05470	1.0
103.98917	0.4
105.03407	1.0
107.04960	0.7
109.02889	15.9
111.04453	0.5
117.03384	0.9
119.04914	0.7
127.03928	6.0
129.03432	0.5
131.04961	1.3
133.02867	2.0
135.04433	0.6
145.02856	1.6
146.03629	0.5
147.04391	2.2
149.12181	0.3
151.03943	0.6
153.01846	1.1
156.59933	0.3
157.02866	1.7
159.04410	1.0
161.02344	3.8
161.05952	0.3
162.03145	0.6
163.03925	4.7
165.01897	0.6
165.06932	0.4
173.02336	2.8
175.03911	3.0
177.01898	0.7
177.05470	0.5
179.03403	1.5
185.02336	2.3
187.03935	5.0
189.00247	0.6
189.01854	8.2
190.02559	0.7
191.03386	6.5
193.01401	0.6
201.01845	6.3
202.02628	1.0
203.03395	3.6
205.01254	0.7
206.02122	0.4
207.02934	4.7
209.00804	0.5
213.01819	4.6
213.03636	0.5
215.03392	3.6
217.01340	12.4
217.03401	0.7
218.02068	2.9
219.02911	7.1
221.00842	1.2
221.04555	1.2
229.01347	5.9
230.02068	0.8
231.02892	20.7
232.03351	0.7
233.04510	1.1
234.01582	1.0
235.02388	12.1
239.01985	0.5
241.01303	3.6
243.02966	0.4
245.00839	11.0
246.01472	0.8
247.02391	8.7
248.02994	0.5
249.03923	3.0
257.00815	7.9
258.01373	0.5
259.02405	34.0
260.02795	0.8
261.03998	1.3
262.01129	1.2
263.01886	4.8
273.00323	9.6
273.03259	0.6
274.01022	1.5
275.01865	13.7
275.58963	0.4
276.02643	6.4
277.03452	100.0
278.03769	2.0
285.00320	6.0
287.01929	1.2
289.03427	1.4
291.01410	4.8
300.99823	2.6
301.02725	0.4
302.00507	0.8
303.01367	81.7
304.01663	2.5
305.02933	3.7
315.01581	0.5
319.00845	5.5
321.02386	1.7
328.99356	0.7
331.00845	1.1
333.02396	5.6
335.04016	0.4
349.01837	0.4
351.03506	20.6
352.03952	0.6
355.04413	0.4
365.02838	0.4
371.03943	0.5
389.05103	0.6
399.03284	0.5
408.69388	0.5
411.03427	0.4
417.04446	0.6
421.04324	0.7
429.04651	1.5
445.03925	1.1
447.05536	0.8
459.05713	1.0
463.05115	0.8
477.06714	5.5
477.12955	0.7
797.08466	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	796.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.9
58.06628	0.5
60.08165	6.2
67.05501	0.3
69.07080	0.1
70.06594	0.1
70.18233	0.5
70.67950	0.1
71.07375	4.0
74.87376	0.1
79.05483	0.2
79.86047	0.1
81.07072	0.4
86.09708	31.6
87.10050	0.4
90.03920	0.1
91.05466	0.2
95.08598	0.2
98.98470	4.0
102.88622	0.1
104.10751	2.3
105.07095	0.1
107.08617	0.2
119.08547	0.1
123.84330	0.1
125.00008	21.4
143.01083	0.3
160.11261	0.6
184.07346	100.0
185.07677	1.5
186.07794	0.3
258.08878	0.6
284.08716	0.1
426.89685	0.1
462.38773	0.1
520.34088	0.2
778.39716	0.2
778.53735	3.2
796.52563	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	796.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	1.2
56.77973	0.2
58.06610	0.3
59.07410	0.2
60.08170	6.3
60.55188	0.2
62.10420	0.2
67.05496	0.4
69.46045	1.6
71.07380	4.0
71.08608	0.2
78.79606	0.2
81.07063	0.5
84.08157	0.3
86.09712	31.5
86.95262	0.2
91.05479	0.2
93.07078	0.3
95.08619	0.6
98.98474	4.0
104.10754	3.2
105.07083	0.2
125.00016	22.4
129.68350	0.2
130.08669	0.7
184.07355	100.0
185.07625	0.6
718.11084	0.2
754.65057	0.2
796.54858	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	795.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.3
59.04995	0.6
60.08178	2.4
61.02926	5.2
62.83936	0.4
63.77274	0.4
67.05504	5.3
69.03432	2.9
69.07088	1.6
70.56380	0.6
70.56730	1.0
71.01354	0.6
71.05003	1.8
71.07381	1.6
72.08139	0.5
73.02926	2.8
79.05490	6.7
81.03421	3.7
81.07061	4.7
83.04973	1.1
83.08633	1.5
85.02908	4.1
85.06560	0.7
86.09707	12.3
87.04463	0.6
87.10061	1.2
91.03983	2.2
91.05478	5.0
93.07052	6.3
95.04994	1.9
95.08610	2.8
97.02901	3.9
97.06565	1.0
97.10184	0.7
98.98498	1.6
99.04470	1.1
101.02406	1.6
104.10779	1.0
105.07023	3.9
107.08601	3.3
109.02908	1.3
109.10173	1.4
117.07027	0.9
119.08595	2.7
121.10175	2.5
123.11753	0.8
125.00010	9.2
125.00887	0.7
127.03916	1.6
129.07036	1.1
131.08617	1.9
132.27625	0.5
133.10167	2.6
134.57236	0.5
135.11731	1.4
145.05121	0.6
145.10144	0.9
147.11771	1.7
149.09669	0.6
149.13268	0.6
157.10205	1.0
161.13409	0.7
163.11266	0.5
175.11240	1.2
184.07350	38.3
185.04291	0.8
185.07719	5.7
185.09239	0.7
191.68423	0.5
193.12268	1.1
197.15488	0.6
203.05296	0.6
243.08447	3.7
259.07956	0.5
259.20767	0.6
268.91583	0.6
283.15189	4.0
301.09137	1.2
315.10733	0.7
323.18695	0.7
362.80652	0.6
371.16739	0.6
453.21036	0.7
465.21613	0.9
469.20651	0.9
485.23642	0.9
501.23059	8.8
501.30420	0.6
529.22906	0.6
535.28760	6.6
573.25616	1.8
633.39783	0.6
672.41833	0.5
673.42896	1.7
705.38788	0.9
709.31451	2.4
749.40906	0.7
777.47113	1.0
795.45111	100.0
796.45331	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	795.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	2.2
59.05016	0.5
61.02932	4.9
63.23655	0.4
67.05511	6.4
69.03436	2.7
69.07058	2.2
71.01330	0.6
71.04996	3.3
71.51268	0.4
71.51634	0.7
73.02923	4.1
79.05499	4.4
79.29057	0.4
81.03421	2.3
81.07060	9.2
83.04981	0.8
83.08636	1.7
85.02903	4.7
85.06550	0.8
86.09734	1.1
91.03980	2.8
91.05485	5.1
93.07044	3.9
95.04992	1.1
95.08608	2.2
97.02905	4.2
97.06544	1.0
97.10144	0.5
99.04475	0.7
101.02399	2.1
105.07021	2.5
107.04958	1.0
107.08570	2.7
109.02892	0.6
109.06546	0.5
109.10179	1.7
111.08149	0.6
117.07066	1.4
119.08606	1.4
121.10181	0.9
123.08130	0.6
123.11721	1.1
125.00037	0.9
127.03967	1.9
130.07108	0.5
131.08589	1.1
133.10132	3.3
135.11696	1.2
145.10127	0.9
146.73656	0.4
147.11736	1.0
149.09595	0.6
149.13303	1.0
151.11223	1.1
159.11752	1.1
184.07317	3.3
185.04324	1.4
185.07774	0.7
187.13402	0.6
203.05139	0.6
243.08430	3.6
257.17419	0.6
267.15900	0.7
301.08893	1.1
315.10547	0.7
323.18347	0.7
333.20529	1.5
349.58203	0.5
385.18500	0.5
387.12881	0.5
439.19540	1.0
453.21078	1.5
465.20361	0.5
476.40909	0.5
485.23688	8.6
533.27112	0.6
537.23248	0.6
541.21692	0.5
551.28192	4.6
625.31720	0.9
651.33075	0.5
681.32800	0.6
693.38440	0.7
709.34210	4.9
749.39886	0.6
795.44971	100.0
796.45300	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	795.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.6
57.07090	1.1
61.02926	4.6
62.79356	0.7
67.05506	4.7
69.03418	4.7
69.07071	2.5
70.91335	2.4
71.01350	0.8
71.04998	0.7
73.02921	5.6
79.05501	5.1
81.03407	4.1
81.07059	6.4
83.04980	1.9
83.08630	1.3
85.02908	6.4
86.09714	3.5
91.03982	4.2
91.05486	4.4
93.07042	4.2
95.04942	1.4
95.08607	1.7
97.02885	5.4
97.06503	1.1
97.10157	1.0
99.04524	0.9
99.08123	0.9
101.02402	2.3
103.04019	0.7
103.72271	0.8
105.07059	2.4
107.08620	2.8
109.02892	1.2
109.10177	1.7
110.71815	0.8
116.62029	0.9
117.07024	1.0
119.08608	1.5
121.10178	2.3
125.00028	2.2
127.03940	1.8
129.05495	1.8
131.08595	1.0
133.10109	2.1
135.11736	2.4
137.67461	0.8
145.10155	1.2
149.09677	0.9
163.11176	1.0
184.07333	9.6
185.04163	4.8
193.12366	1.2
201.03804	0.9
203.05360	0.9
211.13307	1.3
221.11496	0.8
241.07108	1.0
243.08377	4.8
246.40443	0.9
251.12596	1.9
255.15889	1.1
301.08905	11.1
315.10583	3.5
327.10709	0.9
333.20319	5.8
371.16916	1.6
373.11166	4.1
383.17178	1.2
385.18182	6.3
400.99857	0.8
429.17401	2.7
431.24335	2.8
431.51801	0.8
439.19473	6.8
449.25104	1.1
453.21182	2.4
457.20444	1.3
467.18790	0.9
469.20377	8.4
473.53430	0.8
477.24649	2.2
481.20569	2.3
482.20105	0.8
485.19519	2.1
499.21329	1.1
515.33331	2.1
541.22473	12.1
551.28412	9.9
567.27448	1.4
583.30090	1.1
595.14575	0.9
610.30676	1.2
623.30548	6.3
625.32153	5.6
637.32104	1.8
651.33447	2.1
665.35480	1.0
667.33002	20.2
668.33215	1.2
693.38440	4.2
707.76788	1.0
709.34039	4.0
723.39301	1.2
733.40704	1.5
737.40369	1.2
749.40826	2.4
764.78888	0.9
777.40405	6.8
778.41095	1.0
795.41302	100.0
796.41150	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	795.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05001	0.9
57.03418	1.4
57.07042	1.2
58.06568	1.2
60.08112	5.2
61.02922	6.4
64.95085	0.7
65.03906	1.0
65.07687	0.6
67.05504	5.7
69.03434	3.6
69.07008	2.7
70.06599	5.1
70.08315	0.8
70.08652	3.1
71.04969	1.4
71.07368	3.3
71.07678	1.2
71.08598	0.8
73.02913	3.9
77.07688	0.7
79.05491	4.9
80.05788	0.9
81.03422	5.5
81.07050	5.0
82.38200	0.7
83.04926	0.7
83.08563	2.2
85.02911	6.0
86.09710	28.8
87.10053	4.3
88.07640	4.7
91.03909	2.9
91.05487	5.5
93.07052	5.8
95.04927	2.6
95.08559	3.1
97.02896	5.9
97.06503	1.4
97.10093	0.8
98.98486	4.1
99.04431	1.3
101.02312	2.1
102.09135	2.9
104.10696	1.6
105.06999	3.0
105.11051	0.8
107.04949	1.4
107.08591	3.5
109.02881	1.6
109.06510	0.8
109.10117	1.9
109.90137	0.7
111.04383	1.2
111.08010	0.7
117.03059	0.6
117.06958	1.9
119.08550	2.7
121.10122	2.2
123.04385	0.8
124.99106	1.0
125.00014	18.8
125.09599	0.9
126.00370	0.7
127.03896	2.0
129.06941	0.8
131.08516	2.5
133.10138	1.5
135.11646	1.9
137.09546	1.0
138.03961	0.7
145.04976	1.1
145.10089	2.5
147.11606	0.8
149.02362	15.8
149.03455	1.3
149.09608	0.9
150.02696	3.5
157.10045	0.9
162.31717	0.8
163.11180	2.4
184.07347	92.2
185.04178	1.3
185.07704	12.5
186.07870	0.9
193.04955	6.1
194.05318	2.3
200.20111	12.3
201.20451	5.0
237.07619	2.0
243.08371	4.0
249.11192	0.7
251.12590	0.9
267.12195	0.8
273.33829	0.7
283.21802	0.7
301.08893	1.1
333.20468	1.4
341.06738	0.9
385.09329	0.8
386.09903	0.8
439.19583	1.5
443.19046	1.7
453.21323	1.3
467.19052	6.3
469.20914	2.5
485.20047	2.5
487.21848	1.4
549.27167	1.8
551.28436	4.9
568.92316	0.7
593.50427	0.7
609.61646	0.7
610.84711	0.9
622.16925	2.9
645.36743	1.0
693.35455	2.7
745.45465	2.7
749.41901	1.0
777.40930	7.6
778.41254	0.8
789.10455	0.9
795.41846	100.0
796.41846	7.6
828.56647	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.0
57.97531	0.4
58.03439	0.5
60.08166	1.9
60.08458	0.5
61.02926	4.5
65.03931	1.0
67.05505	6.2
69.03429	4.1
69.07067	2.7
70.57175	0.4
71.04981	2.1
71.07364	1.1
71.52026	0.5
73.02905	3.9
79.05495	5.9
81.03416	5.9
81.07055	5.2
83.04997	1.8
83.08626	2.0
84.08190	0.5
85.02910	7.1
86.09709	8.4
87.04479	0.5
87.10031	0.9
91.03975	2.8
91.05478	5.2
93.07052	3.8
95.04964	3.4
95.08588	2.2
97.02877	4.2
97.06534	3.0
97.10178	0.6
98.98465	1.1
99.04444	1.1
99.08108	0.6
101.02388	1.0
103.03968	0.6
104.10743	0.9
105.07036	3.4
107.04973	0.9
107.08604	2.4
109.02924	1.1
109.06525	0.5
109.10163	2.2
115.05499	0.5
117.07018	0.9
119.08607	2.0
121.06506	0.6
121.10133	0.8
125.00009	6.1
127.03937	1.4
129.07071	1.2
131.08594	1.4
133.10150	1.9
135.11763	1.0
137.05757	0.5
145.04918	0.5
145.10175	0.8
147.11711	1.2
149.13219	0.5
157.10112	1.1
163.11208	0.6
173.04602	0.7
175.11218	1.0
184.07343	27.9
185.04294	0.5
185.07729	3.3
193.12311	1.3
243.08426	2.4
251.12624	1.1
262.10397	0.5
319.18851	0.7
349.19894	5.8
364.07489	0.5
405.22534	0.8
435.27719	0.7
436.27774	0.6
439.19885	0.8
453.21268	0.6
467.19125	0.7
469.20511	7.3
567.27875	4.4
569.29565	0.5
676.38812	0.5
777.47833	0.6
795.41315	100.0
796.41559	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	795.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	3.9
57.07068	1.3
60.08160	2.5
61.02933	6.0
67.05511	6.5
69.03436	3.2
69.07072	3.0
71.01344	0.9
71.04993	0.7
71.07369	1.3
71.51862	1.1
73.02925	4.9
79.05491	5.1
81.03423	5.9
81.07056	5.2
82.07397	1.1
83.05007	2.1
83.08614	2.0
85.02898	7.4
86.09721	11.3
87.04466	0.8
87.10053	2.7
91.03970	3.5
91.05476	5.3
93.07046	4.9
95.04976	3.2
95.08609	3.9
97.02898	6.0
97.06571	0.9
97.10165	1.0
98.59476	0.8
98.98481	2.1
99.04482	1.4
101.02394	2.7
103.03963	1.1
104.10773	1.1
105.07049	2.9
107.04940	1.5
107.08595	3.3
109.02870	1.4
109.10177	2.9
117.05488	1.0
117.07076	1.0
119.08636	2.4
121.10152	1.7
123.04282	0.8
125.00023	8.6
125.09650	0.8
125.79002	0.8
127.03935	3.4
129.05495	2.3
129.07069	1.2
131.08565	2.2
133.10121	1.8
135.11729	2.1
137.09624	1.0
147.11731	1.8
157.10065	1.0
163.11197	0.8
163.29561	0.8
164.91690	0.7
181.04910	0.9
184.07343	39.5
185.04245	4.6
185.07686	6.3
193.12308	1.3
199.05779	1.1
201.03772	2.4
201.14763	1.0
203.05322	1.2
221.11548	0.9
223.13396	1.1
229.14256	1.2
241.07079	1.2
243.08435	6.2
251.12762	2.9
291.15784	0.9
293.52924	0.8
301.08966	15.8
301.12207	1.2
313.09131	1.1
315.10672	3.8
327.10687	1.6
333.20380	5.5
341.12244	0.8
349.16458	1.3
369.15649	1.0
371.16812	1.1
373.11099	4.7
373.23480	1.9
383.16861	2.2
385.18417	8.6
395.16956	1.3
413.17999	1.5
429.17496	3.6
431.24255	2.9
433.25665	1.6
439.19592	4.9
443.18970	2.9
445.26019	0.8
449.25354	1.0
453.21530	1.7
457.20825	0.9
469.20493	11.7
477.24677	3.1
481.20660	2.8
485.20117	2.6
487.21188	1.1
499.21448	1.7
500.22745	1.2
513.26532	1.0
515.33899	2.2
528.21899	1.6
541.22589	11.6
551.28369	8.7
583.28595	0.7
611.30780	2.9
612.31219	1.5
623.30200	5.0
625.32184	2.9
637.31268	1.2
641.31659	2.8
651.33307	2.3
667.33167	9.7
679.34503	1.1
693.38586	4.8
709.34143	19.4
710.33539	1.1
733.41986	1.4
735.38971	1.2
749.40833	1.1
777.40479	6.9
778.39832	1.2
795.41266	100.0
796.41534	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	794.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.1
57.03444	0.3
58.06351	0.2
58.06627	0.4
60.05645	0.2
60.08166	6.4
67.05507	0.6
69.07068	0.3
70.06598	0.2
71.07376	3.6
79.05484	0.4
81.07066	0.6
83.08647	0.2
86.09709	30.7
87.04465	0.8
87.10073	0.2
91.05487	0.3
93.07053	0.2
95.08612	0.4
98.98467	3.9
104.10744	2.2
105.07030	0.2
107.08604	0.3
109.10178	0.5
125.00008	21.5
166.70650	0.1
173.01338	0.2
184.07349	100.0
185.07736	0.9
197.25003	0.2
339.29044	0.4
493.38620	0.3
516.30933	0.2
660.86609	0.2
776.40295	0.2
776.52216	2.5
779.91077	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	794.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	0.9
57.07083	0.2
58.06365	0.3
58.06638	0.5
59.07419	0.2
60.08170	5.7
62.41341	0.2
62.54562	0.1
67.05513	0.6
69.07072	0.3
69.81512	0.8
70.06584	0.2
71.07379	3.6
71.08620	0.2
77.63731	0.1
79.05505	0.5
81.03408	0.5
81.07068	0.5
83.08651	0.2
85.60396	0.1
85.99460	0.1
86.09711	30.5
87.04459	0.8
87.10033	0.4
91.05474	0.4
93.07041	0.5
95.04963	0.2
95.08637	0.4
97.10184	0.2
98.20750	0.2
98.98466	3.6
104.10748	2.6
105.07008	0.2
107.08558	0.2
107.72134	0.1
109.10147	0.2
119.08582	0.2
121.10156	0.2
125.00014	19.9
131.08591	0.2
133.10161	0.2
135.08037	0.2
143.01035	0.3
149.09634	0.2
166.02521	0.2
184.07352	100.0
185.07735	0.9
234.44682	0.2
267.15945	0.2
312.19797	0.2
344.25763	0.2
473.22568	0.3
500.15033	0.2
500.31305	0.2
539.63696	0.2
546.95917	0.1
611.46423	0.2
682.50677	0.2
776.52002	0.2
794.53357	3.1
803.18036	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	794.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	13.5
57.07071	7.0
61.02920	3.6
65.03937	5.3
65.71042	2.0
67.05508	100.0
69.07071	33.8
71.05008	2.7
71.08618	2.6
71.51722	2.7
77.03945	2.8
79.05493	46.5
81.07060	92.2
81.63773	1.7
83.08621	16.5
85.02909	3.5
87.04465	8.4
90.25798	1.9
91.05494	27.2
93.07052	54.8
95.04959	2.6
95.08614	78.1
96.08798	1.8
97.02876	2.4
97.06556	3.3
97.10168	10.8
99.08074	2.2
100.65693	1.8
105.04543	2.0
105.07034	23.1
107.08601	27.1
109.06531	2.7
109.10162	29.1
117.07037	5.5
119.08595	15.9
121.10156	26.3
123.08064	2.3
123.11699	9.6
131.08571	12.4
133.10133	16.7
135.11679	15.8
137.13271	4.4
143.08574	2.4
145.10143	10.1
147.11717	13.7
149.13283	9.3
151.14845	2.6
159.11688	8.7
161.13263	8.9
163.14835	6.5
165.12764	2.2
173.13327	6.0
175.14822	3.1
184.07295	4.0
187.14864	3.6
189.16451	1.9
198.97418	3.8
201.41338	1.8
208.13440	1.9
243.21120	5.8
245.22668	3.0
257.75989	2.2
259.20599	2.7
261.22189	17.1
263.23752	3.7
317.24823	3.1
333.24283	3.5
335.25803	65.7
337.27383	85.3
339.28900	8.0
347.25897	2.5
523.45129	4.8
550.42090	2.1
597.48993	24.1
615.49823	21.5
794.49719	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	0.8
57.03431	0.2
58.06611	0.2
59.29478	0.1
60.08169	6.0
61.02930	0.2
61.68923	0.2
67.05512	1.3
68.05821	0.1
69.03436	0.3
69.07076	0.3
71.05001	0.1
71.07381	4.0
79.05508	0.9
81.03412	0.7
81.07059	1.1
82.07370	0.1
83.04991	0.3
83.08615	0.3
85.02909	0.4
86.09714	30.2
87.10085	0.2
91.03980	0.1
91.05496	0.9
93.07043	0.8
95.04991	0.6
95.08605	0.2
97.02885	0.4
98.20703	0.3
98.98476	3.7
104.10752	2.9
105.07057	0.5
107.04993	0.2
107.08611	0.5
109.02854	0.2
109.06540	0.2
109.10167	0.4
111.08116	0.1
117.07056	0.3
119.08607	0.4
121.06495	0.2
121.10163	0.3
125.00018	21.5
129.06992	0.1
131.08592	0.4
133.06454	0.2
133.10117	0.3
135.11711	0.3
143.01068	0.3
145.10153	0.2
147.11755	0.2
149.09644	0.2
151.11336	0.2
157.10039	0.1
159.11694	0.2
159.55009	0.1
163.11151	0.2
167.69540	0.2
173.11745	0.1
184.07356	100.0
185.07709	1.1
193.12210	0.2
195.31587	0.1
267.15887	0.3
301.03354	0.1
349.23456	0.1
392.76520	0.1
405.85135	0.2
461.28900	0.3
520.21838	0.1
534.31250	0.2
543.36505	0.1
550.70752	0.2
571.22583	0.1
576.85596	0.1
614.40247	0.3
644.35406	1.6
680.55713	0.2
708.40991	0.1
726.42651	0.6
744.44556	4.5
745.44073	0.4
748.35223	0.4
794.43005	3.0
795.41290	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	793.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	3.6
57.07058	0.7
58.03789	0.6
60.08170	0.9
61.02922	4.3
63.93075	0.5
64.10508	0.5
65.03949	0.6
67.05509	11.1
68.05855	0.8
69.03446	3.0
69.07076	4.8
70.11399	1.9
71.01356	0.8
71.05003	3.5
71.07368	0.5
73.02923	4.6
79.05489	7.9
80.05842	1.1
81.03428	5.3
81.07056	9.7
82.07405	1.3
83.04986	2.3
83.08624	2.1
85.02911	5.8
85.06561	1.0
86.09705	4.8
91.03964	3.7
91.05489	9.6
91.06024	0.8
92.05828	1.1
93.07047	7.2
94.07412	0.9
95.04993	2.4
95.08617	5.1
97.02902	5.6
97.06555	2.5
97.10202	0.9
99.04462	1.3
101.02412	1.7
103.03954	0.6
105.07030	6.4
105.07581	0.6
106.07420	0.7
107.04971	2.2
107.08585	4.7
109.02943	1.2
109.06550	1.5
109.10163	3.9
111.04443	0.7
111.08120	1.7
115.03918	0.8
117.07063	1.8
119.08560	4.2
121.10191	2.3
123.04487	0.7
123.08119	0.8
123.11728	0.6
124.99992	3.9
127.03960	2.1
129.05542	0.9
129.07057	1.5
131.08528	2.7
133.06473	0.7
133.10143	5.5
134.10469	0.7
135.11711	1.1
145.05043	0.8
145.10201	1.5
147.08081	0.7
147.11710	2.5
149.09601	3.2
149.13333	0.8
151.11200	1.1
157.10170	1.7
159.11780	0.8
163.11160	1.0
173.11731	0.7
175.11252	1.2
179.14474	0.6
184.07365	14.1
185.04272	1.5
185.07732	1.9
187.11292	0.8
193.12370	1.9
197.15462	0.6
201.03778	0.8
201.25378	0.5
211.13528	0.7
225.23010	0.6
243.08362	4.0
243.23064	0.5
253.14513	1.8
261.11221	1.3
267.15881	0.8
271.35049	0.6
275.20245	1.0
283.15173	2.7
301.08847	3.7
313.17749	0.6
315.10706	1.4
315.19226	3.0
331.19070	0.9
339.00458	0.6
339.17761	0.7
357.15598	0.7
357.20221	0.7
369.15439	1.3
371.21799	1.1
373.11276	0.9
385.18518	1.7
387.20996	0.6
429.17496	1.7
451.19623	0.8
455.19067	1.7
469.20712	2.1
479.19189	1.0
501.22983	10.4
501.29126	0.7
513.27081	1.0
523.62195	0.6
531.25861	1.3
533.27301	8.8
539.21124	4.8
549.27020	1.8
621.29004	1.0
623.30334	3.3
631.38580	1.2
649.32520	1.0
691.36969	1.2
695.33087	0.9
747.39478	1.0
775.39209	2.3
793.43286	100.0
794.43451	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	792.5619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05515	16.7
57.03442	11.7
57.07075	1.4
57.37238	0.6
58.54593	0.6
61.02932	3.6
61.03177	0.6
65.03937	3.1
67.05508	61.5
69.03428	1.8
69.07069	15.6
70.81277	1.5
71.04996	2.0
71.08632	0.8
73.02917	1.0
73.76494	0.6
79.05497	42.0
81.03432	1.1
81.07062	61.1
82.24159	0.7
83.04980	1.7
83.08628	6.6
85.02903	2.5
85.06526	1.9
87.14452	0.6
91.03938	1.2
91.04904	1.2
91.05485	25.6
91.90231	0.7
92.61539	0.7
93.07051	44.7
95.04961	3.0
95.08613	49.3
97.02887	1.3
97.06519	2.1
97.10183	3.6
99.08085	0.9
103.05453	0.7
105.04530	1.8
105.07037	18.8
107.08605	23.3
109.06537	1.1
109.10161	21.9
111.08129	1.0
111.11728	0.7
117.07010	8.4
118.43725	0.7
119.08590	15.5
121.10155	23.7
123.08085	1.3
123.11721	7.2
125.09661	1.0
129.06987	1.9
130.07637	0.7
131.08577	12.4
133.10133	13.1
135.11691	14.6
137.09605	1.2
137.13272	3.1
139.11115	0.9
142.07825	0.7
143.08566	1.4
145.10136	10.5
147.11688	10.5
149.13258	9.9
151.14897	0.9
157.10103	2.3
158.09950	0.8
159.11681	7.9
161.13272	7.5
163.11171	0.9
163.14801	4.9
165.12761	0.7
171.11707	2.4
173.13283	7.8
175.14839	3.2
177.16426	1.7
184.07352	1.8
185.13289	2.6
187.14859	3.3
189.16376	1.6
199.14868	1.4
201.16457	1.6
203.14366	1.1
211.15021	0.7
217.19547	1.2
219.17415	0.9
241.19559	2.6
243.21098	6.4
257.18884	1.0
259.20584	6.8
261.22156	18.5
263.23706	1.3
265.44000	0.6
273.22305	1.1
277.21573	1.1
287.23676	0.9
299.23639	1.0
317.24911	3.1
333.24216	5.4
335.25818	100.0
336.26016	3.3
337.27356	9.7
513.54736	0.8
521.43378	2.1
529.37952	0.8
539.44775	0.9
595.47321	13.3
613.47998	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	790.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
55.62029	0.1
56.05038	1.0
57.03439	0.1
58.06630	0.6
59.07394	0.2
60.08167	6.3
67.05495	0.4
69.07076	0.3
70.17162	0.1
70.97596	0.4
71.07372	4.3
73.05679	0.1
74.95337	0.1
79.05483	0.3
81.07050	0.3
86.09708	35.3
87.10021	0.8
90.14523	0.1
91.05444	0.2
93.07042	0.2
93.76266	0.1
94.74608	0.2
95.08627	0.2
98.98469	4.4
104.10749	3.2
109.10194	0.2
125.00010	22.5
126.00316	0.2
155.57442	0.1
184.07346	100.0
185.07698	3.0
186.07843	0.9
424.81226	0.2
464.47836	0.2
577.90680	0.2
645.90057	0.2
772.54779	5.2
773.54614	0.3
783.85815	0.2
789.31970	0.2
790.55890	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	790.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31121	0.1
56.05041	0.8
57.26368	0.1
58.06643	0.5
59.07393	0.2
60.08168	5.6
62.10258	0.1
62.57656	0.1
69.07054	0.1
69.17853	1.0
71.07378	3.3
74.52575	0.1
81.07063	0.2
86.09713	27.4
87.10052	0.2
97.06554	0.1
98.98473	3.3
104.10750	2.5
125.00015	18.9
143.01146	0.1
166.06314	0.1
184.07355	100.0
185.07693	0.8
203.58916	0.1
223.26530	0.1
496.34006	0.3
690.47064	1.6
754.53906	0.2
772.43787	0.1
772.55182	0.9
790.55927	2.5
791.56006	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	792.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.2
55.05516	31.3
57.03448	18.7
59.04994	2.6
61.02937	5.7
61.64316	2.2
63.24371	2.3
65.03944	4.9
67.05513	72.3
69.03436	4.1
69.07073	19.4
69.20119	25.2
69.34567	2.6
70.06589	7.4
71.04998	11.9
73.02919	2.6
79.05072	4.2
79.05505	54.5
81.03427	72.9
81.07067	100.0
83.04980	25.5
83.08629	31.8
85.02913	35.0
85.06547	7.3
86.09715	14.6
88.66251	2.4
91.03983	2.4
91.05489	65.7
92.77303	2.6
93.06476	4.6
93.07050	59.9
95.04964	28.1
95.08624	33.7
97.02885	4.1
97.06546	15.7
97.10178	9.5
99.08085	5.7
105.07039	45.4
107.04944	12.0
107.08592	32.2
109.06515	12.9
109.10168	17.5
111.08109	14.2
113.06079	2.8
115.05499	2.5
117.07026	15.9
119.08589	35.7
121.06541	4.0
121.10147	23.6
123.08075	6.2
123.11728	8.3
124.63513	2.4
125.00005	7.8
125.09653	7.6
129.07018	16.6
131.08586	27.5
133.06505	6.2
133.10149	23.8
135.11710	9.4
137.09624	4.2
141.06999	3.0
142.07840	4.0
143.08536	4.1
145.10146	13.4
147.08037	5.0
147.11691	24.9
149.09619	16.1
149.13281	11.4
151.11189	3.7
155.08546	4.2
157.10143	15.3
159.11710	8.7
163.11240	6.5
165.12718	4.8
171.11815	3.5
175.11192	15.9
177.12764	5.7
184.07361	43.0
193.12245	40.8
211.13307	42.8
211.15256	3.3
227.12810	5.8
229.14456	5.2
257.19162	3.8
267.15979	33.0
269.17477	28.7
275.20117	42.6
285.16992	57.7
293.20959	4.8
349.23782	27.8
367.24860	13.0
421.25916	4.7
433.30194	2.7
439.27094	17.6
443.27994	3.8
461.28986	33.6
467.31287	2.6
479.30084	91.4
480.30280	4.4
541.35278	21.0
559.36322	51.2
577.37689	18.4
772.07953	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	790.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.1
55.05513	38.1
57.03442	22.0
57.07080	2.7
59.05006	32.3
60.40096	1.3
61.02922	3.5
65.03938	3.7
67.05508	100.0
69.03432	4.1
69.07076	15.8
69.28685	10.1
69.29094	2.2
71.04996	12.9
79.05501	49.6
81.03436	8.6
81.07065	59.2
83.04986	5.8
83.08628	15.1
85.02907	6.7
85.06554	4.6
86.09715	3.2
87.04475	56.3
91.05488	23.9
93.07053	42.5
93.07645	2.4
95.04984	4.5
95.08616	35.6
97.02917	4.3
97.06555	4.0
97.10179	19.3
99.04464	19.3
99.08114	1.5
102.98746	1.4
105.04565	1.7
105.07037	10.6
107.04979	2.9
107.08605	26.6
109.06528	3.6
109.10162	53.1
111.04456	1.9
111.08064	5.9
113.06004	1.3
115.03960	1.7
117.07014	6.3
119.08587	12.6
121.10149	20.7
121.84576	1.1
123.08103	2.7
123.11734	4.0
125.00031	3.9
125.09645	16.3
129.07010	3.1
131.08572	10.2
133.10138	9.2
135.11688	12.4
137.09631	4.0
143.08575	1.8
143.10669	1.8
145.10146	7.8
147.08070	1.4
147.11681	7.7
149.09622	2.1
149.13278	4.8
153.12729	1.4
155.10707	7.4
157.10172	2.1
157.32378	1.3
159.11697	5.7
161.13284	2.2
163.11163	5.9
163.14861	2.4
171.11717	2.4
173.11755	14.1
173.13229	4.7
175.11336	1.5
177.12819	1.8
184.07361	11.4
187.14832	2.2
189.11261	1.8
191.10686	2.3
193.12328	2.3
199.13287	9.3
199.14764	1.4
209.11708	1.4
217.14455	2.9
227.12813	4.7
229.14355	45.5
235.17038	1.3
241.14435	6.1
243.21176	2.6
257.13879	1.9
259.20691	2.4
261.22183	14.1
267.16000	4.9
271.20728	1.5
283.15344	1.6
315.18039	8.4
317.25177	1.6
327.23233	1.6
333.19189	1.6
335.25800	57.9
336.26245	1.9
363.25369	4.4
397.13400	1.5
451.32303	1.8
459.34375	3.0
477.35745	22.6
489.28903	2.6
489.35815	45.4
490.36057	1.7
543.36536	2.3
561.38116	1.5
575.39502	3.7
593.39966	2.9
737.60663	1.6
741.25232	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
55.05519	0.5
56.05032	0.9
57.03444	0.3
57.07074	0.3
58.06643	0.6
60.08169	6.2
67.05511	1.1
69.07068	0.7
69.23825	0.5
69.24255	1.0
70.06608	0.2
70.07390	0.2
71.07379	4.0
79.05489	1.0
79.65260	0.1
81.03416	0.2
81.07047	1.3
86.09712	32.0
87.10038	0.6
89.06032	0.2
91.05479	0.8
93.07037	0.9
95.04987	0.2
95.08630	0.9
97.06528	0.4
97.10159	0.2
98.98474	4.1
104.10755	3.5
105.07063	0.9
106.07338	0.2
107.04939	0.3
107.08598	0.4
109.10184	0.4
117.07016	0.3
119.08611	0.4
121.10146	0.4
125.00012	21.9
126.00322	0.2
127.00469	0.2
131.08559	0.3
133.08646	0.2
133.10129	0.4
145.10162	0.3
147.11676	0.3
159.11719	0.3
184.07350	100.0
185.07700	2.3
185.13240	0.2
186.07838	1.0
274.97299	0.2
275.20004	0.5
276.20447	0.3
305.44974	0.2
335.25833	0.7
336.25983	0.7
340.07098	0.2
496.34009	0.3
610.45770	1.2
772.54736	3.2
773.54578	0.2
790.55829	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.2
55.05513	36.8
57.03186	1.9
57.03438	19.5
57.07083	2.3
58.68332	1.3
59.05001	29.6
61.02922	3.2
65.03928	2.1
67.05508	100.0
69.03425	6.2
69.07073	15.4
71.04993	12.6
71.08595	2.0
73.02928	2.0
74.74789	1.3
79.05493	44.1
81.03420	8.7
81.07058	57.4
83.04961	5.2
83.08622	17.5
85.02888	5.5
85.06554	3.6
86.09700	3.2
87.04472	40.9
89.06031	1.3
91.03907	1.9
91.05482	26.0
91.09653	1.2
93.07043	37.3
95.04965	6.5
95.08611	34.0
97.02887	5.9
97.06542	4.9
97.10175	16.2
99.04452	19.1
101.06071	1.5
105.04523	2.9
105.07039	16.7
107.04934	3.2
107.08594	24.7
109.06503	2.5
109.10165	48.4
111.04419	2.3
111.08047	4.0
117.07004	7.7
119.08585	16.2
121.10154	16.3
123.11697	5.4
125.00009	3.0
125.09638	20.3
127.03859	1.6
128.06281	1.7
129.07042	2.4
131.08583	12.5
133.10146	9.5
135.11720	12.5
137.09636	3.2
137.13208	1.6
143.08568	2.9
145.10135	10.0
147.11716	6.5
149.09599	3.6
149.13226	5.0
151.11147	1.5
152.30241	1.5
155.10666	5.4
157.10150	2.6
159.11679	4.3
161.13301	4.2
163.11162	5.9
163.14828	2.1
173.11748	11.1
173.13274	5.0
175.11174	1.8
181.12270	1.5
182.89107	1.3
184.07324	15.1
187.14748	2.3
189.11314	1.7
191.10683	2.3
193.12363	2.5
199.13228	10.5
223.28854	1.6
227.12744	7.7
229.14363	29.8
230.14731	1.4
241.14378	3.0
243.21088	4.0
261.22165	8.9
261.74731	1.3
267.15921	4.9
275.19861	1.8
283.15460	2.9
295.18555	1.5
315.18036	5.1
317.24811	1.5
332.03067	1.5
333.18857	2.0
335.25824	50.5
336.26132	3.6
363.25256	3.9
437.88757	1.4
459.34744	1.8
461.84238	1.7
477.35764	14.3
489.28964	2.2
489.35779	35.9
490.35883	1.9
575.39520	3.3
736.50604	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.8
55.05268	1.8
55.05515	22.2
57.03449	9.8
57.07085	2.6
57.83710	1.4
60.08155	1.3
60.10615	1.1
61.02924	3.1
65.03939	3.8
67.05508	76.1
69.03433	8.3
69.07077	21.1
70.73620	3.9
71.01373	1.4
71.04997	27.4
73.02908	1.7
79.05499	44.7
81.00003	1.2
81.03413	10.6
81.07063	100.0
82.07391	2.0
83.04984	8.2
83.08620	13.7
85.02932	5.7
85.06536	9.5
86.09705	4.5
91.05486	45.2
92.05830	1.3
93.07047	44.0
95.04969	8.9
95.08608	25.7
97.02896	2.1
97.06538	14.0
97.10169	5.1
99.08096	4.1
105.04561	1.5
105.07040	29.5
107.04965	5.4
107.08601	29.2
109.06510	5.2
109.10155	15.4
110.10484	1.4
111.04462	1.2
111.08092	5.4
113.18816	1.2
117.07025	12.2
119.08587	15.2
121.06499	4.3
121.10152	15.1
123.08055	3.3
123.11713	11.5
124.79856	1.2
125.00028	3.1
125.09642	2.8
127.03955	2.4
129.07022	3.8
131.08582	16.2
133.06496	1.6
133.10146	28.4
135.08043	4.1
135.11700	12.4
137.09648	1.7
139.11250	2.1
143.08612	1.7
145.10153	11.4
147.08047	2.1
147.11723	6.1
149.09624	4.7
149.13252	10.9
151.11183	7.8
155.08557	1.9
157.10109	4.4
159.11705	10.9
161.09630	1.3
161.13295	3.1
163.11226	4.0
166.11205	1.2
169.10109	1.6
169.12285	2.2
171.11737	1.9
173.09645	1.5
173.13298	2.4
177.12781	4.2
179.14297	1.9
181.12234	2.1
183.11707	1.4
183.13818	3.6
184.07375	17.1
185.13182	2.5
187.13274	3.1
187.14847	1.8
193.12335	2.1
195.13766	6.6
197.13333	1.5
213.14713	1.3
219.13815	1.7
227.12820	1.3
229.14363	2.4
243.15923	5.0
253.14496	2.2
255.15947	3.0
257.17349	1.4
260.34296	1.1
267.15918	3.4
269.17502	15.3
275.19943	9.9
283.15445	1.9
285.17041	2.2
293.21078	2.5
301.20108	15.3
349.23657	8.2
367.24719	3.1
419.27762	2.7
423.27539	7.6
437.29016	30.6
445.29492	1.9
449.28958	12.0
451.30722	7.0
457.94470	1.3
463.30527	19.8
481.31717	5.2
495.33237	37.4
496.33383	3.3
499.34009	2.6
517.35284	20.2
531.36633	2.4
535.36066	1.4
543.36792	10.0
561.37598	3.2
575.39478	7.6
587.94031	1.5
607.34595	2.9
639.37347	1.6
790.49640	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.1
55.05513	24.3
57.03439	10.8
57.07062	2.7
59.04989	1.5
60.49238	1.2
61.02909	4.6
64.85838	1.0
65.03925	3.5
67.05506	79.7
68.05836	1.2
69.03432	7.8
69.07066	24.9
69.41747	6.1
71.04996	30.4
73.02887	1.8
73.06535	1.2
79.05493	50.4
81.02984	1.8
81.03423	19.5
81.07058	100.0
82.07386	2.1
83.04982	12.7
83.08171	1.4
83.08627	16.8
84.98922	1.1
85.02892	6.7
85.06556	11.1
86.09687	3.0
91.03947	1.3
91.05482	56.1
92.05808	1.3
93.07045	50.5
95.04965	10.7
95.08607	26.0
97.02903	5.2
97.06532	13.3
97.10173	7.6
98.07310	1.5
99.04458	2.7
99.08089	4.5
105.04481	1.7
105.07037	40.9
106.07339	1.6
107.04967	6.8
107.08596	33.0
108.08917	2.0
109.02894	1.9
109.06513	7.7
109.10151	16.0
111.08089	6.8
113.09638	1.5
115.05433	1.4
116.04692	1.7
117.07025	13.9
118.06516	1.2
119.07808	1.8
119.08588	25.4
121.06454	2.6
121.10139	14.0
123.08041	4.4
123.11710	13.8
125.09615	9.8
127.03938	4.0
129.05475	5.1
129.07016	5.8
130.07765	1.5
131.08569	17.8
133.06482	2.3
133.10135	33.9
134.10406	1.3
135.08029	5.0
135.11702	13.8
137.09570	2.4
139.11212	1.3
143.08562	4.7
145.10139	11.6
147.08075	2.7
147.11696	10.4
149.09641	10.3
149.13258	11.9
149.49445	1.4
151.11169	10.4
155.08542	1.7
157.08698	2.0
157.10115	5.9
159.11694	14.4
161.09579	1.6
161.13210	5.4
163.11185	6.6
165.12756	2.2
169.10165	2.5
171.10188	2.1
171.11688	3.9
173.04417	4.1
173.11781	1.6
173.13271	3.5
175.11182	2.1
175.14886	2.1
177.12730	5.4
179.14287	3.2
183.11569	1.3
183.13818	4.2
184.07333	6.0
185.13199	2.4
187.13304	3.5
189.09271	1.2
189.11201	2.6
193.12225	2.7
195.13841	6.0
201.16437	1.5
211.13222	1.3
213.14755	1.9
213.16559	1.5
225.14821	2.7
227.12752	8.2
243.15939	3.1
253.14268	2.9
255.15538	1.1
257.19061	4.0
259.20657	5.3
267.15900	5.1
268.16217	1.2
269.17468	17.6
275.20062	19.3
276.20151	2.1
283.19012	1.3
293.21121	2.9
301.16476	6.8
301.20087	23.1
331.22641	1.7
333.24142	3.2
349.23688	15.7
367.24713	1.7
423.27457	6.4
427.26965	2.2
437.23218	0.7
437.28979	20.1
445.29251	2.1
449.28900	15.8
451.30811	8.0
461.29343	1.8
463.30453	17.6
477.32449	1.8
481.31738	5.2
495.33368	32.9
499.34097	3.2
517.35297	36.3
518.35565	2.2
525.34943	1.4
531.36688	3.9
535.36475	2.3
541.35046	1.5
542.35754	2.3
543.36633	20.0
559.35864	2.8
561.37604	2.3
575.39429	10.9
581.32611	2.2
593.39435	2.4
607.34076	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.0
55.05269	3.6
55.05515	38.4
57.03440	23.6
57.07057	3.9
59.76164	2.9
61.02913	2.9
63.13690	2.7
65.03933	6.1
67.05508	81.1
69.03429	7.6
69.07069	27.5
69.20509	2.6
69.90586	10.9
71.05012	17.4
79.05497	77.8
79.90865	2.6
80.05817	3.3
80.84145	3.0
81.03426	51.8
81.07063	84.7
83.04989	14.3
83.08620	21.1
83.42505	3.1
85.02892	5.9
85.06576	6.3
86.09718	4.2
91.05484	70.3
92.05819	3.9
93.07049	65.9
95.04980	23.0
95.08604	39.6
97.02892	7.1
97.06545	10.7
97.10194	15.2
99.08073	5.4
105.04522	2.9
105.07037	56.5
107.04954	10.9
107.08607	33.9
109.06516	9.0
109.10162	24.6
111.08086	6.3
115.05496	3.2
117.06997	24.8
119.08590	46.9
121.06524	8.3
121.10130	28.3
123.08082	6.5
123.11711	8.4
125.09633	7.8
129.06984	18.9
130.07765	3.3
131.08571	34.6
133.06509	3.7
133.10138	37.3
135.08066	4.3
135.11700	18.5
141.07021	4.7
142.07800	4.5
143.08563	13.4
145.06477	5.6
145.10139	32.3
147.07991	5.5
147.11711	24.3
149.09645	10.1
149.13269	8.4
151.11246	5.6
155.08580	7.2
157.10109	18.6
159.11667	23.8
161.13272	9.0
163.11206	11.2
169.10152	9.9
171.11711	11.5
173.09563	3.1
173.11871	3.5
173.13269	11.9
175.11209	6.1
175.14874	3.9
177.12769	6.4
181.10136	5.1
183.11720	9.5
184.07335	21.4
185.13280	10.8
187.14876	2.9
189.11201	6.1
191.68358	2.7
193.10342	2.7
193.12228	8.7
194.97215	2.7
195.11722	4.7
195.13873	3.7
197.13326	3.8
199.14793	4.7
200.06207	2.7
203.14211	3.3
209.13400	4.3
223.15070	3.4
227.12762	11.7
229.14296	7.8
237.16403	3.3
241.19554	5.7
255.15849	2.9
257.19067	5.1
259.20523	13.0
267.15909	23.3
269.17517	10.2
273.18359	2.8
275.20135	9.5
283.15390	3.9
283.20526	2.7
284.15738	4.0
285.21884	3.0
291.19507	5.7
297.79730	2.9
299.23657	8.1
301.16925	4.2
301.20169	5.3
333.24292	8.8
342.09348	3.0
348.28900	2.6
349.23871	4.6
358.16373	2.9
405.31912	3.2
407.54712	2.8
417.26086	3.0
421.25876	4.7
433.30893	12.5
435.27505	4.7
437.28720	6.1
449.29211	5.8
451.31836	14.3
463.30524	3.3
469.33212	8.1
495.29108	4.3
499.34039	6.8
507.34866	5.3
517.35577	13.4
525.35809	47.2
526.36206	3.8
543.36829	100.0
544.36926	4.8
557.38098	11.9
575.39795	17.3
660.76160	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	790.4587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	15.9
55.05519	36.5
57.03440	30.0
57.07063	5.8
61.02940	5.8
65.03946	6.9
67.05511	97.9
69.03434	24.5
69.06730	4.1
69.07074	52.2
71.05000	21.6
73.02911	6.9
79.05503	88.9
80.23682	2.6
81.03426	72.3
81.07066	100.0
83.01363	3.4
83.04985	30.2
83.08627	38.2
85.02911	29.0
85.06563	6.0
86.09710	9.9
91.05489	88.6
93.07053	73.5
95.04975	40.2
95.08612	43.0
97.02909	12.3
97.06542	70.0
97.10172	11.4
98.98466	3.7
99.08111	9.5
105.04501	3.4
105.07043	57.0
107.04944	20.7
107.08604	37.0
109.02891	5.1
109.06520	27.5
109.10165	30.0
111.04453	7.4
111.08099	17.2
113.06055	3.4
115.05448	6.2
115.07589	17.6
117.07005	21.5
119.08601	39.1
121.06551	13.8
121.10158	28.0
123.08087	12.7
123.11743	3.7
125.00023	6.7
125.09624	10.2
127.03936	4.0
127.07585	4.0
128.06256	5.3
129.05516	3.7
129.07030	18.6
131.08595	27.6
133.06509	5.0
133.10141	29.9
135.08080	14.2
135.11696	14.1
137.09677	4.8
141.07022	4.1
142.07759	4.0
143.08598	6.8
145.10173	23.4
147.08040	14.3
147.11697	27.1
149.09621	11.7
149.13272	7.9
151.11253	4.3
153.09143	3.7
155.08539	3.5
157.10173	18.9
159.08066	4.8
159.11697	10.9
161.09679	7.8
163.11206	15.7
165.12805	6.7
171.11765	3.8
173.04482	7.5
173.09636	5.5
175.11183	18.4
177.12764	7.1
181.12175	3.0
183.11693	4.0
184.07362	37.8
189.11211	3.4
193.12274	34.4
195.11905	2.5
195.13757	5.2
209.11739	2.9
211.13290	59.8
217.15987	7.0
227.12782	11.4
229.14351	14.6
245.18970	3.8
253.14297	3.0
255.17653	3.7
257.18954	3.9
267.15891	23.3
269.17484	19.4
273.18527	26.3
275.20013	13.3
283.15442	31.4
285.16980	44.3
291.19641	14.6
347.22269	9.0
349.23648	5.8
365.23346	9.0
367.24713	3.4
437.25436	19.3
461.29077	8.9
463.26892	2.8
465.29535	3.7
477.28580	20.4
479.30075	20.4
521.95642	3.0
557.34680	26.5
575.35815	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.6
55.05514	31.2
57.03437	19.9
57.07073	1.9
59.04994	4.3
60.08148	1.5
61.02927	2.0
62.64570	1.1
65.03934	3.9
67.05507	100.0
69.03417	3.1
69.07072	22.8
70.06821	4.4
71.01358	1.6
71.04995	6.4
71.07356	2.0
73.02921	3.1
77.03924	1.3
79.05497	38.5
81.03423	11.5
81.07059	72.9
83.04987	10.1
83.08622	19.2
85.02908	10.2
85.06535	4.6
86.09698	8.7
87.04470	4.0
91.03938	1.6
91.05488	25.5
93.07049	47.9
95.04961	7.8
95.08060	1.8
95.08611	23.7
97.02898	5.3
97.06539	12.3
97.10167	10.2
98.20891	1.7
98.98467	2.0
99.04465	1.4
99.08105	2.6
105.04485	1.5
105.07037	10.2
107.04937	4.8
107.08597	28.3
109.06519	4.9
109.10163	44.4
111.04459	3.0
111.08073	8.2
113.06023	1.3
117.07028	9.0
119.08577	8.8
121.06538	1.6
121.10147	17.9
123.11675	3.0
124.99995	5.4
125.09628	9.5
129.05481	2.3
129.07030	2.4
130.07942	1.0
131.08569	8.0
133.10126	8.6
135.08072	2.6
135.11699	8.9
137.09636	3.5
145.10115	4.6
147.11693	2.7
149.09601	2.5
149.13272	26.0
149.45720	1.0
151.11180	1.4
153.12743	3.5
155.08656	1.3
155.10654	4.6
159.11703	13.0
163.11201	7.6
165.12776	1.5
173.09552	1.2
173.11758	13.0
177.12735	9.1
181.12183	3.2
184.05792	2.1
184.07352	31.6
191.10681	4.5
193.12257	3.7
195.13826	15.3
195.51059	1.1
199.13295	4.8
209.11749	5.9
211.13293	1.6
227.12791	7.4
229.14377	33.3
257.13763	1.8
258.08804	1.1
265.14401	3.4
267.15921	4.7
269.17496	79.4
280.31168	1.2
283.15497	7.2
285.09988	1.3
297.17288	1.1
301.16415	6.6
324.11804	1.1
393.26135	2.8
399.23846	12.3
411.27478	2.7
423.27438	63.1
424.27585	2.1
459.27478	1.9
461.29059	3.8
464.31088	1.4
477.28458	4.1
478.29230	3.3
495.29544	9.2
501.35977	1.2
513.30518	2.6
593.36938	31.5
594.37177	2.5
790.37067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01656	2.1
55.01872	21.5
55.05268	4.1
55.05513	48.4
57.03438	26.8
57.07062	4.7
61.02923	5.0
65.03934	5.2
67.05509	100.0
69.03432	15.9
69.07072	35.7
69.41488	7.2
69.41905	9.0
71.01354	6.9
71.04999	10.2
73.02911	6.3
79.05497	85.2
81.03423	63.2
81.07060	96.5
82.04215	4.6
83.04985	27.6
83.08622	28.9
85.02909	20.4
85.06551	7.2
86.09720	5.6
91.05485	71.9
93.07047	77.3
95.04976	36.5
95.08612	44.2
97.02908	10.8
97.06551	21.6
97.10168	16.9
98.07348	4.3
99.04430	4.0
99.08099	4.8
105.07036	52.6
107.04967	20.4
107.08604	43.4
109.02888	3.8
109.06525	14.4
109.10165	29.5
111.04428	5.2
111.08086	16.7
113.06004	3.8
115.05425	3.3
116.04717	5.6
117.07022	20.8
119.08587	37.1
121.06495	7.6
121.10147	24.2
123.08080	8.3
123.11707	7.0
125.00015	4.0
125.09621	17.4
127.03931	3.3
127.07558	3.2
128.06236	4.6
129.05501	18.0
129.06995	14.8
130.07793	2.3
131.08578	28.6
133.06490	4.6
133.10149	40.3
135.08032	7.2
135.11694	25.9
137.09608	6.0
141.06938	2.5
142.07813	4.4
143.07050	5.6
143.08571	6.5
145.06483	4.7
145.10170	22.2
147.08055	3.6
147.11705	21.3
149.09653	14.0
149.13239	14.5
151.11188	5.7
151.68568	2.0
153.12755	5.2
155.08591	2.5
155.10664	2.1
157.08623	6.6
157.10133	13.6
159.11671	12.7
161.09697	3.6
161.13187	3.2
163.11212	19.0
165.12738	6.1
171.10207	4.2
171.11615	2.6
173.04497	2.6
173.11768	3.8
173.13168	3.7
175.11169	15.1
177.12764	5.8
179.14417	2.2
181.12259	8.1
184.07356	20.1
185.13248	2.9
189.11235	7.5
191.10663	3.5
193.12242	33.0
195.13794	10.5
199.13304	7.3
205.12358	3.2
209.11659	6.3
211.13281	28.0
215.14415	2.8
227.12784	14.8
229.14288	5.4
243.15958	5.3
249.14871	2.3
253.14398	9.0
255.15880	23.0
257.19028	6.1
265.14526	2.8
267.15936	27.7
269.17505	33.9
273.18542	4.3
275.20123	15.3
283.15558	10.1
285.17014	20.5
291.19421	5.9
301.16473	43.7
349.23575	13.3
365.23370	3.2
411.27039	2.3
423.27411	9.6
435.27597	2.5
447.27615	4.1
453.28638	3.6
461.29007	4.4
465.28616	7.1
477.28345	9.0
478.29080	2.9
479.30322	2.2
481.28070	10.3
486.22327	2.2
495.29626	35.2
539.33795	2.2
554.99030	2.5
557.34875	5.6
562.58038	2.5
575.35724	11.7
593.36432	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	790.4584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	18.0
55.05276	2.2
55.05516	40.0
57.03197	2.0
57.03441	24.8
61.02914	2.8
65.03925	8.5
66.04715	2.2
67.05509	100.0
69.03427	11.2
69.06732	3.0
69.07075	44.2
71.01337	3.3
71.05000	12.2
73.02912	3.7
79.05499	72.5
81.03424	68.4
81.07064	74.8
83.04988	27.1
83.08621	30.1
85.02910	22.5
85.06525	7.8
86.09720	3.7
91.03986	2.0
91.05492	86.0
92.02287	2.2
92.43627	2.1
93.06488	3.4
93.07049	60.2
95.04967	33.9
95.08611	45.7
97.02865	8.5
97.06544	21.3
97.10176	14.3
99.08076	4.8
101.05962	2.0
103.05438	3.2
105.07037	57.8
107.04952	17.6
107.08604	35.0
109.02824	2.9
109.06505	9.1
109.10159	29.0
111.04440	3.6
111.08089	16.2
111.08805	2.8
113.06026	2.1
113.09642	2.7
115.05469	2.5
116.04675	3.1
117.07016	13.7
119.08599	43.6
121.06496	7.1
121.10162	22.6
123.08084	7.2
123.11683	3.8
125.09624	10.9
128.06239	3.9
129.05493	11.7
129.06999	16.7
131.08577	28.3
133.06503	5.0
133.10133	36.0
135.08052	5.5
135.11682	11.8
137.09615	14.0
139.07484	2.2
141.07066	2.2
142.07771	5.4
143.08578	7.6
145.10127	17.8
147.08046	6.7
147.11679	21.3
149.09630	24.8
149.13266	8.2
151.11153	3.1
155.08580	2.8
155.10745	2.7
157.08607	6.9
157.10124	16.8
157.55302	2.2
159.11670	11.5
161.09705	3.1
161.13185	2.6
163.11194	13.3
165.12767	4.0
171.10245	3.2
171.11693	4.9
173.04532	2.5
173.11754	4.6
173.13264	6.8
175.11203	16.4
177.12798	2.3
184.07381	3.7
185.13303	3.2
188.30817	2.7
189.11247	6.7
193.12265	40.6
197.13307	2.8
199.13181	2.8
202.73862	2.3
211.13304	45.3
224.13504	1.9
227.12724	10.2
229.14406	5.7
229.19518	3.7
238.87210	2.1
239.17966	3.3
255.15887	6.0
257.18970	5.0
267.15909	23.7
269.17517	9.9
273.18460	3.6
275.20071	31.1
283.15366	3.9
285.17007	28.4
291.19724	5.2
301.16425	21.5
349.20483	2.6
349.23871	27.2
365.23148	2.6
381.22672	3.6
423.27686	4.3
439.27026	11.4
463.30646	3.7
478.29373	2.9
481.27710	3.2
495.29691	13.1
541.34906	7.9
557.34448	2.5
559.36420	18.4
575.35797	5.9
577.37262	3.1
593.36902	2.9
666.33203	2.5
683.74707	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	790.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	6.6
55.05514	31.2
57.03437	19.9
57.07073	1.9
59.04994	4.3
60.08148	1.5
61.02927	2.0
62.64570	1.1
65.03934	3.9
67.05507	100.0
69.03417	3.1
69.07072	22.8
70.06821	4.4
71.01358	1.6
71.04995	6.4
71.07356	2.0
73.02921	3.1
77.03924	1.3
79.05497	38.5
81.03423	11.5
81.07059	72.9
83.04987	10.1
83.08622	19.2
85.02908	10.2
85.06535	4.6
86.09698	8.7
87.04470	4.0
91.03938	1.6
91.05488	25.5
93.07049	47.9
95.04961	7.8
95.08060	1.8
95.08611	23.7
97.02898	5.3
97.06539	12.3
97.10167	10.2
98.20891	1.7
98.98467	2.0
99.04465	1.4
99.08105	2.6
105.04485	1.5
105.07037	10.2
107.04937	4.8
107.08597	28.3
109.06519	4.9
109.10163	44.4
111.04459	3.0
111.08073	8.2
113.06023	1.3
117.07028	9.0
119.08577	8.8
121.06538	1.6
121.10147	17.9
123.11675	3.0
124.99995	5.4
125.09628	9.5
129.05481	2.3
129.07030	2.4
130.07942	1.0
131.08569	8.0
133.10126	8.6
135.08072	2.6
135.11699	8.9
137.09636	3.5
145.10115	4.6
147.11693	2.7
149.09601	2.5
149.13272	26.0
149.45720	1.0
151.11180	1.4
153.12743	3.5
155.08656	1.3
155.10654	4.6
159.11703	13.0
163.11201	7.6
165.12776	1.5
173.09552	1.2
173.11758	13.0
177.12735	9.1
181.12183	3.2
184.05792	2.1
184.07352	31.6
191.10681	4.5
193.12257	3.7
195.13826	15.3
195.51059	1.1
199.13295	4.8
209.11749	5.9
211.13293	1.6
227.12791	7.4
229.14377	33.3
257.13763	1.8
258.08804	1.1
265.14401	3.4
267.15921	4.7
269.17496	79.4
280.31168	1.2
283.15497	7.2
285.09988	1.3
297.17288	1.1
301.16415	6.6
324.11804	1.1
393.26135	2.8
399.23846	12.3
411.27478	2.7
423.27438	63.1
424.27585	2.1
459.27478	1.9
461.29059	3.8
464.31088	1.4
477.28458	4.1
478.29230	3.3
495.29544	9.2
501.35977	1.2
513.30518	2.6
593.36938	31.5
594.37177	2.5
790.37067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.05049	1.0
57.07082	0.2
58.06630	0.4
59.07429	0.2
60.08168	6.4
60.10395	0.1
67.05519	0.7
69.07080	0.4
71.07381	4.1
71.07759	0.3
71.08630	0.2
73.99456	0.2
79.05502	0.7
81.03426	0.2
81.07060	0.7
83.08604	0.2
86.09713	31.6
87.10049	0.4
91.05496	0.6
93.07048	0.6
95.08614	0.5
97.10199	0.2
98.98472	3.7
104.10757	2.8
104.46356	0.1
105.07047	0.6
107.04943	0.2
107.08602	0.3
109.10204	0.2
117.07066	0.2
119.08575	0.3
121.10199	0.2
125.00016	21.6
131.08578	0.3
133.10153	0.3
135.08101	0.1
145.10143	0.3
147.11719	0.3
153.44810	0.1
159.11729	0.3
160.11142	0.2
184.07355	100.0
185.07765	0.9
229.69960	0.2
258.08939	0.2
259.12372	0.1
270.64920	0.1
275.20056	0.3
335.25818	0.5
496.34436	0.3
562.37946	0.2
579.64868	0.2
601.46063	0.1
607.66650	0.1
770.40894	0.2
770.53461	3.8
788.54480	4.3
789.53540	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	788.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.0
58.06622	0.5
59.07364	0.2
60.08166	6.8
67.05507	0.2
71.07378	4.0
71.08628	0.1
71.24700	0.2
72.57681	0.1
79.05491	0.1
81.07051	0.1
86.09708	31.9
87.10027	0.3
95.08610	0.1
98.98470	4.2
98.99125	0.2
104.10745	3.0
123.57140	0.1
125.00009	22.8
126.00386	0.2
140.01060	0.1
141.67523	0.1
154.68225	0.1
157.94009	0.1
180.74597	0.1
184.07347	100.0
185.07693	1.5
186.07744	0.2
293.74530	0.1
299.20987	0.1
366.58316	0.1
377.05051	0.1
496.33942	0.3
702.47107	0.2
770.52832	0.3
788.54462	5.4
789.54712	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.9
58.06637	0.3
59.07399	0.2
60.08168	6.3
67.05495	0.1
70.06615	0.1
71.07379	3.9
73.44081	0.1
79.05473	0.1
81.07047	0.1
86.09711	30.6
87.10044	0.2
98.98470	3.5
103.49993	0.1
104.10757	2.8
125.00012	21.1
143.00989	0.1
184.07349	100.0
185.07730	0.7
191.63568	0.1
322.27988	0.1
496.33768	0.2
540.70673	0.1
552.69592	0.1
613.97522	0.1
676.44733	0.1
690.47150	1.1
752.52136	0.2
770.53760	0.7
788.54510	2.4
789.54114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.6
55.05512	27.7
57.03439	8.3
57.07068	1.8
57.24813	1.0
58.10585	0.9
59.05005	2.3
61.02921	1.9
61.59831	1.0
65.03947	3.6
67.05505	72.9
69.03433	8.8
69.06689	1.6
69.07070	32.6
69.27770	8.8
70.06521	1.0
71.04993	24.4
73.02920	1.0
79.05496	43.0
80.05795	1.1
81.03425	10.0
81.07058	87.4
82.07386	2.2
83.04982	7.6
83.08622	14.9
85.02902	2.5
85.06528	7.0
86.09725	3.7
89.26390	1.0
91.05484	40.9
93.07049	32.3
93.07646	2.0
95.04974	10.9
95.08605	17.8
97.02890	12.2
97.06524	9.0
97.10177	13.3
99.08118	1.1
101.37372	1.2
101.97327	1.0
103.05460	1.5
105.06313	1.2
105.07030	24.0
105.07700	1.9
107.04968	5.6
107.08598	20.5
109.02896	1.8
109.06539	4.2
109.10152	14.0
111.04455	2.2
111.08078	4.0
113.16322	1.0
117.07017	12.8
119.04968	1.1
119.08588	11.5
120.08916	1.2
121.06520	3.7
121.10153	8.6
123.08090	4.0
123.11710	9.0
124.99996	1.6
125.09637	7.2
128.06255	1.1
129.07036	4.4
131.08566	10.7
133.06494	1.3
133.10120	17.6
135.08072	5.2
135.11676	6.0
137.09665	3.1
143.08594	4.1
145.10123	5.9
147.08055	5.9
147.11736	5.5
148.12038	1.2
149.09639	4.7
149.13240	7.4
151.11157	6.7
153.09152	1.4
157.10156	2.0
159.11688	8.2
161.09642	2.7
161.13257	1.5
163.11165	1.4
165.12813	1.2
169.10124	1.5
169.12350	1.7
171.10281	1.1
171.11690	3.3
173.09613	1.1
175.11206	2.1
177.12813	2.7
183.13832	2.5
184.07343	7.6
187.13319	2.9
189.11188	1.9
195.13843	3.1
205.12244	2.1
211.13348	1.3
223.13266	18.0
225.14850	4.2
227.12827	3.9
227.18098	1.2
230.15440	1.2
243.15887	1.0
245.18991	1.5
249.14923	2.2
253.14342	2.2
257.17538	2.9
259.94901	1.0
267.15997	1.6
269.17502	7.8
273.18454	13.1
282.17661	1.2
291.19550	83.0
292.16360	1.5
292.19208	7.5
301.20132	23.0
347.22183	2.6
365.23264	16.3
461.28882	2.0
483.97678	1.1
511.32379	1.4
515.33563	4.3
533.34753	100.0
534.35242	4.9
541.34973	4.3
547.36432	14.3
559.36322	51.3
559.43152	0.7
560.36646	3.5
577.39166	1.1
591.38873	27.6
610.30035	1.2
726.59637	1.0
761.43817	1.1
765.70221	1.3
788.48901	3.7
789.39398	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	7.5
55.05265	1.5
55.05511	18.1
57.03438	8.5
57.07062	2.0
59.04992	1.6
60.08157	2.0
61.02902	4.0
61.03183	1.0
65.03930	4.0
67.05509	76.8
69.03414	3.7
69.06733	1.2
69.07072	15.4
69.20454	1.0
70.21120	4.4
71.04998	34.5
73.02914	1.6
79.05498	40.6
81.03426	9.8
81.07062	100.0
82.07378	2.3
83.04985	11.9
83.08630	9.2
85.02892	2.9
85.06547	10.4
86.09706	13.7
87.04462	1.3
87.65131	0.9
90.46349	1.0
91.05486	65.2
92.05811	1.5
93.07049	38.1
95.04987	7.0
95.08616	22.1
97.02876	2.2
97.06542	7.4
97.10149	2.5
98.98443	1.2
99.04468	2.3
99.08096	2.1
103.05434	1.3
105.04530	1.2
105.07040	43.7
107.04980	6.2
107.07874	1.9
107.08600	36.4
109.02848	1.4
109.06544	9.0
109.10162	44.8
111.04437	1.6
111.08074	4.5
113.06017	1.7
117.07008	9.7
119.08594	11.9
121.06509	6.3
121.10167	10.2
123.04464	1.3
123.08041	3.3
123.11704	17.3
125.00018	9.3
125.09595	3.4
127.07557	3.1
129.06998	4.3
131.08568	13.0
133.06471	2.5
133.10141	66.6
135.08069	5.9
135.11688	6.9
137.09583	2.0
143.08565	4.7
145.06509	1.2
145.10130	7.3
147.08084	2.6
147.11705	4.0
149.09592	5.1
149.13257	4.9
151.11188	27.7
153.12773	1.1
155.08516	1.1
157.10114	4.0
159.08031	2.7
159.11681	5.4
161.09572	4.9
161.13293	2.1
163.11169	2.8
165.12715	1.5
169.12251	4.6
169.53647	1.0
171.11737	2.9
173.13306	1.2
175.11197	2.5
177.12758	4.2
179.10614	2.1
181.10280	1.0
181.12137	1.1
183.13727	3.8
184.07347	42.0
185.13310	1.1
187.13304	3.3
189.12769	2.4
195.11879	1.2
195.13809	2.9
223.13338	1.2
225.14890	3.8
227.17966	1.4
230.15302	1.0
243.15891	1.7
245.19107	2.6
251.12868	2.7
253.14369	85.9
254.14763	1.6
255.17305	1.8
257.17484	2.9
261.22202	1.1
263.20062	3.1
267.15967	1.8
269.17587	6.3
273.18497	18.5
291.19571	15.7
292.19165	2.6
292.65433	1.2
301.20105	27.2
309.20450	1.4
329.20956	1.7
335.25778	1.5
347.22321	7.0
365.23236	15.8
421.25870	6.6
441.30450	1.5
447.27365	1.6
451.26834	2.6
453.28479	26.8
454.28937	2.1
455.15308	1.2
465.28354	4.4
479.29901	2.4
497.30774	6.1
515.33783	10.7
533.34766	55.0
534.34839	3.1
541.35168	4.5
547.36371	9.5
559.36346	27.4
560.36743	1.6
573.37518	4.1
591.38916	35.7
592.39056	2.8
615.35468	1.3
788.52466	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	788.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	14.8
55.05271	1.8
55.05515	22.6
57.03443	15.1
57.07077	3.0
59.16299	1.5
61.02916	2.6
65.03936	4.3
67.05508	57.6
68.05823	1.6
69.03444	7.1
69.07072	22.4
71.05000	6.3
73.02902	1.8
79.05497	43.3
80.06280	1.2
81.03425	50.9
81.07059	61.0
83.04990	12.9
83.08212	1.4
83.08624	12.9
85.02911	3.6
85.06553	5.4
86.09702	3.0
91.05486	65.8
93.07047	42.5
94.07327	1.1
95.01337	2.9
95.04979	22.6
95.08619	28.2
97.02876	2.6
97.06526	14.2
97.10164	8.8
98.20713	2.5
99.08074	3.4
105.07037	70.3
107.04953	17.9
107.08604	30.9
109.02830	1.3
109.06522	9.0
109.10165	36.6
111.04480	2.9
111.08106	7.3
113.06053	1.7
115.05484	1.8
116.04706	3.1
117.07020	11.3
118.06522	2.8
119.08586	31.6
121.06541	8.2
121.10154	10.9
121.28948	1.2
123.04434	2.0
123.08053	6.9
123.11707	6.7
125.00015	2.1
125.09641	7.8
127.07603	1.2
128.06221	3.3
129.05537	5.7
129.06990	8.4
130.07782	1.4
131.08577	20.2
133.06496	5.0
133.10139	57.2
134.10469	1.9
135.08046	6.7
135.11694	7.5
137.06075	1.1
137.09581	2.7
139.07532	1.3
141.06960	1.4
143.06979	1.3
143.08597	5.6
144.09172	1.5
145.06483	3.2
145.10117	11.4
147.08038	3.7
147.11693	14.3
149.09627	11.0
149.13301	2.7
151.11188	16.6
155.08594	3.1
157.08699	2.7
157.10129	10.8
159.08092	2.2
159.11722	8.6
161.09666	4.0
161.13255	5.0
162.09160	1.4
163.11212	6.0
164.92732	1.2
165.09084	1.5
165.12840	1.6
167.10658	1.3
169.10089	2.0
169.12231	3.1
171.10222	1.5
171.11691	4.2
173.09726	1.5
173.13216	1.8
175.11203	7.6
177.09116	1.5
177.12761	2.7
179.10750	2.1
179.14305	6.3
183.11719	2.4
184.07335	10.1
185.13260	1.3
187.11238	2.1
189.11247	1.4
191.10657	1.2
193.12260	7.3
195.11803	1.7
197.13313	1.3
199.14844	1.5
205.12201	2.0
209.11748	2.8
211.13254	1.9
215.12680	1.7
218.39932	1.1
227.12773	3.5
230.15411	1.7
231.50328	1.2
245.19051	3.1
253.14374	46.9
257.19073	3.1
263.20142	1.5
267.15936	42.5
268.16321	2.0
271.15305	1.5
273.18488	13.7
275.17566	1.0
275.20059	27.5
281.17120	1.3
283.15579	2.6
291.19580	11.8
292.19180	8.0
293.21091	1.7
301.16534	14.6
306.69733	1.4
347.22125	3.2
349.23752	17.3
351.25537	1.2
365.23236	9.0
381.72522	1.2
497.27362	4.9
529.38525	1.5
541.35272	100.0
542.35956	5.8
543.36505	1.3
559.36115	2.7
573.34247	2.3
583.36023	1.9
591.35114	15.8
592.35822	1.4
611.47070	1.5
626.45148	2.4
629.47192	1.4
649.37488	1.5
784.77838	1.6
788.49677	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	788.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.2
55.05513	33.0
57.03436	18.2
57.07085	1.2
57.32549	0.9
59.04710	1.2
59.05004	20.8
61.02917	3.0
65.03928	3.5
67.05507	53.0
68.05817	1.3
69.03424	8.1
69.07070	12.3
70.06589	1.2
71.01344	1.8
71.04996	9.9
71.51746	0.8
71.52128	0.9
73.02901	1.3
77.03886	1.1
79.05495	40.6
81.03423	56.1
81.07060	45.8
83.01353	6.6
83.04987	21.7
83.08153	1.5
83.08627	28.8
84.08141	1.6
85.02435	1.6
85.02912	21.5
85.06551	4.5
86.09720	1.0
87.04469	15.6
91.05482	40.1
92.05832	1.3
93.06480	1.9
93.07050	33.7
95.04973	21.6
95.08609	14.9
97.02910	5.9
97.06526	5.8
97.10171	15.3
99.04452	9.5
99.08097	2.9
103.05463	1.6
105.07035	24.5
107.04951	13.5
107.08600	20.2
109.02905	1.5
109.06519	8.9
109.10164	29.9
111.04459	7.6
111.08089	12.8
113.06002	1.8
115.05476	3.0
117.07022	8.1
119.08582	24.8
121.06523	4.1
121.10145	13.3
123.08080	7.7
123.11716	2.0
123.16072	1.1
125.05994	1.6
125.09638	14.4
127.03934	1.6
127.07576	1.0
128.06186	1.3
129.07013	11.0
130.07721	1.1
130.08603	1.2
131.04970	1.3
131.08586	12.3
133.06523	2.1
133.10138	10.8
135.08072	5.4
135.11699	11.3
137.09625	4.9
139.07524	1.3
141.07079	1.0
142.07787	2.7
143.08546	2.7
145.06488	2.9
145.10120	13.0
147.08041	5.2
147.11691	10.2
149.06003	1.5
149.09608	5.3
151.11200	1.0
153.01801	1.0
153.12721	5.8
155.08627	2.5
155.10657	2.0
157.10124	10.0
159.08058	5.7
159.11714	2.1
161.09575	1.4
163.07477	1.3
163.11188	24.1
165.09096	1.2
165.12802	2.0
173.04544	1.5
173.09615	4.8
173.11734	7.3
175.11180	10.5
181.12262	5.3
182.76488	0.9
183.72171	0.9
184.07387	3.6
189.11214	3.4
191.10667	5.8
193.10451	1.1
193.12245	29.6
199.13315	4.3
209.11684	12.0
211.13287	41.3
214.24774	0.9
223.13348	1.2
227.12798	14.9
229.14362	18.0
241.14377	2.5
267.15927	23.8
271.16934	4.8
283.15396	31.1
284.15549	1.3
285.16965	47.1
286.17282	1.8
289.17999	13.5
307.19043	6.7
315.18384	1.1
345.20752	1.8
353.61240	0.9
363.21802	5.4
371.24329	2.0
381.22791	22.5
383.24582	5.0
432.53998	1.0
457.25848	4.7
469.28592	1.3
475.26953	24.2
476.27869	1.2
487.29456	1.3
493.27972	100.0
494.28235	3.7
555.33063	6.7
565.12421	1.0
573.34161	15.4
591.26172	1.4
591.35254	26.6
592.35272	1.8
788.36554	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	11.6
55.05516	36.7
57.03443	18.2
59.04991	3.9
61.02916	3.0
65.03940	7.4
67.05509	64.6
69.03432	9.4
69.07078	27.7
70.06590	2.1
71.01357	3.1
71.05010	10.9
71.51455	2.4
73.02906	3.5
74.69960	1.4
78.45461	1.2
79.05498	90.9
81.03423	38.4
81.07063	56.4
82.07373	1.6
83.01351	2.5
83.04994	16.3
83.08623	23.4
84.55478	1.3
85.02512	1.5
85.02915	15.8
85.06551	3.1
86.09684	5.2
91.05487	100.0
93.07048	50.1
95.04977	24.7
95.08614	22.8
97.02897	7.2
97.06533	28.8
97.10172	19.7
99.04456	3.6
99.08072	4.3
103.05483	4.0
105.07035	48.2
106.07416	1.7
107.04987	13.0
107.08598	56.4
109.02894	1.6
109.06523	14.3
109.10174	18.7
111.04433	2.1
111.08105	11.2
113.05993	5.1
115.05452	7.3
115.07558	8.7
116.06286	1.6
117.07023	25.6
119.04940	2.6
119.08588	61.4
121.06479	8.9
121.10133	13.3
123.04436	2.6
123.08057	5.6
123.11656	3.6
125.00029	1.8
125.05983	2.3
125.09625	18.7
127.03904	4.8
128.06238	6.3
129.05472	3.1
129.06998	13.8
130.07813	2.1
131.08569	27.1
133.06488	4.8
133.10135	24.7
135.08044	30.1
135.11702	12.7
137.05949	2.1
137.09616	4.0
141.06923	3.6
142.07784	2.1
143.08575	16.7
145.06516	6.9
145.10123	20.2
147.08044	18.7
147.11726	9.8
149.09651	7.7
149.13206	3.5
151.11206	7.2
153.09091	2.1
155.08578	3.4
157.10185	10.1
159.08075	5.5
159.11688	7.3
161.09668	8.1
163.11211	13.9
165.09045	2.7
165.12672	2.6
167.08423	1.6
169.10138	2.6
171.11708	4.0
173.04469	3.7
173.09598	3.9
173.13306	2.7
175.11209	8.6
177.09052	2.4
177.12770	3.0
179.10620	1.4
181.12303	1.5
183.11754	3.3
184.07344	13.4
185.13249	2.7
187.14914	1.9
189.11226	14.7
189.12773	2.8
191.10699	2.7
193.12254	21.1
195.11723	2.9
195.13696	1.8
199.13162	2.4
199.14949	2.0
209.11670	3.5
211.13300	23.2
216.84616	1.5
217.16096	1.9
222.56885	1.4
227.12775	18.0
229.14276	4.1
237.16353	4.4
245.13864	5.6
245.19075	3.6
253.14378	5.4
255.17671	2.4
261.18457	2.0
267.15909	12.4
269.17438	9.8
271.16946	6.6
273.18481	20.7
275.20081	5.3
283.15421	30.8
285.16916	16.9
289.17996	10.4
291.19577	5.8
299.14874	12.9
301.16464	6.8
307.19095	5.0
347.22305	7.8
349.23657	4.8
363.21790	2.5
365.23093	4.3
378.80643	1.7
381.22787	4.1
437.25360	1.6
455.26495	1.9
477.28482	12.1
479.26031	3.7
493.27982	16.8
555.33075	8.7
573.34247	20.1
591.35669	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	788.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	28.8
55.05515	56.0
57.03443	29.8
57.07073	3.8
59.05000	6.1
61.02922	8.5
65.03938	7.0
67.05508	100.0
69.03427	14.9
69.07072	74.9
71.01365	3.7
71.05012	12.1
73.02924	4.8
75.57278	1.8
77.03925	2.3
79.05498	87.6
81.03423	40.2
81.07063	85.2
83.01348	11.2
83.04985	28.4
83.08621	29.8
85.02914	17.0
85.06553	6.6
91.04013	3.4
91.05487	83.4
93.07052	80.7
95.04987	25.1
95.08616	56.7
97.02898	16.9
97.06541	24.7
97.10165	18.1
98.21510	5.9
99.04461	3.3
99.08089	3.9
103.05503	2.8
105.04506	5.7
105.07043	53.2
107.04959	30.1
107.08604	46.4
109.02844	5.0
109.06514	16.3
109.10162	38.5
111.04445	9.2
111.08113	10.6
113.06061	2.5
116.04720	3.2
117.07046	23.7
119.08589	41.6
121.06480	12.0
121.10144	24.4
123.08062	16.6
123.11719	5.2
125.00005	3.8
125.06010	3.6
125.09660	18.6
127.03889	2.3
129.05486	12.0
129.07002	12.5
130.07831	2.8
131.08578	30.3
133.06548	6.1
133.10150	27.7
135.08078	12.5
135.11694	24.2
137.09637	19.7
141.07095	2.8
143.08585	5.7
145.06577	2.1
145.10121	35.9
147.08099	9.0
147.11676	13.2
149.09627	18.3
149.13254	5.8
151.11214	5.4
153.12769	6.1
155.08563	5.9
157.08630	7.8
157.10103	4.3
159.11690	13.7
161.09621	4.8
161.13324	8.2
163.11183	48.5
165.09113	3.5
169.10048	3.6
171.10210	3.0
171.11653	4.2
173.09596	4.6
173.11749	6.8
173.13338	2.7
175.11189	5.8
177.12796	4.6
179.14365	4.5
181.12248	7.3
183.11673	3.2
184.07368	15.2
187.11258	3.7
189.11180	10.1
189.12727	2.5
191.10721	4.0
193.12280	6.9
197.13193	2.6
199.13318	4.3
205.12430	2.7
209.11664	16.9
211.13268	4.0
223.13245	12.3
227.12790	16.8
229.14389	7.0
229.19521	3.4
233.15326	2.5
239.17923	2.8
247.20552	3.3
249.15019	3.3
253.14404	9.7
255.15678	2.7
257.19003	8.8
263.20316	2.4
265.14722	2.5
267.15942	6.9
273.18579	14.9
275.20074	30.9
283.15430	84.1
284.15958	5.0
291.19565	67.5
293.21167	3.9
301.16470	30.0
340.38309	1.9
349.23779	44.7
365.23306	24.6
379.21014	11.8
437.25430	26.4
461.29004	15.4
479.26266	2.5
505.27200	2.9
513.12360	2.1
539.34064	2.8
557.26025	2.9
557.34753	45.9
558.34753	2.5
573.34265	8.9
574.34192	2.4
575.35498	9.7
591.35175	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	10.0
55.05267	2.2
55.05513	23.8
57.03444	11.3
57.07079	1.9
57.60305	1.2
59.64923	1.4
60.58306	1.0
61.02902	2.3
65.03936	4.4
65.84071	1.2
67.05509	60.9
69.03426	5.4
69.07075	35.3
69.07437	1.0
71.01360	1.7
71.05009	7.4
73.02921	2.4
73.06532	1.3
79.05499	53.0
81.03421	13.7
81.07060	53.2
83.04981	11.6
83.08623	13.8
85.02913	3.8
85.06549	3.8
86.09710	2.6
91.05489	38.7
93.07047	64.1
95.01361	1.5
95.04976	18.3
95.08611	60.5
97.02902	8.8
97.06543	14.8
97.10181	5.1
99.04464	4.9
99.08151	1.2
103.05468	1.8
105.07035	28.8
107.04967	16.8
107.08603	45.1
109.02905	2.6
109.06550	6.5
109.10163	21.0
111.04489	2.4
111.08093	3.5
113.06040	1.8
117.07014	17.5
119.08585	25.0
121.06527	9.0
121.10149	21.7
123.08076	4.9
123.11753	1.8
125.00014	1.8
125.05991	3.9
125.09621	4.7
128.06190	2.3
129.06993	4.7
130.07837	2.3
130.88826	1.2
131.08572	13.5
133.10139	18.1
135.08096	6.0
135.11703	52.0
137.09608	10.7
139.07512	2.6
141.07082	1.5
143.08582	5.2
145.06447	2.1
145.10130	39.9
147.08046	2.6
147.11716	6.1
149.09624	12.2
149.13205	2.5
151.11232	3.8
157.10161	3.8
159.11708	6.8
161.09636	3.4
161.13301	3.9
163.11189	71.2
164.11533	1.7
169.10133	1.8
171.10258	1.4
171.11667	2.7
173.09741	1.6
173.11755	4.6
173.13268	4.0
175.11180	2.6
177.12782	2.9
179.14330	2.4
181.12244	9.4
183.11707	2.2
184.07332	13.1
185.13336	1.5
189.11282	1.4
189.12788	1.7
193.12257	2.0
205.12094	1.3
209.11749	5.2
211.13264	2.3
223.13408	2.9
227.12787	100.0
229.14365	5.7
229.41249	1.6
247.20506	2.1
253.14417	6.0
255.15779	2.9
257.19107	6.1
267.15930	4.6
273.18506	5.5
275.20068	18.1
283.15396	45.1
291.19504	10.4
293.21011	2.1
301.16367	1.4
349.23746	28.8
350.24139	1.8
365.23007	6.0
379.21393	6.1
383.24557	2.4
437.25369	10.6
451.26813	3.2
461.29037	3.6
477.28238	1.7
541.35480	2.6
557.26068	2.0
557.34741	34.8
558.34888	2.4
573.34082	8.6
575.35608	2.4
584.64673	1.9
591.35095	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	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	14.5
55.05513	39.2
56.15024	2.8
57.03434	19.4
57.07076	4.5
61.02922	11.3
62.02086	3.1
65.03938	9.1
66.70321	3.6
67.05508	99.2
68.05825	3.2
69.03427	25.7
69.07078	36.4
69.14870	32.2
69.15276	7.7
71.04990	11.5
71.08620	7.2
73.02927	5.8
79.05499	82.4
81.03426	67.1
81.07059	100.0
82.07377	3.2
83.04986	16.5
83.08624	18.6
85.02912	16.7
85.06529	6.2
91.05486	90.0
92.05806	4.0
93.07049	84.4
95.04979	21.7
95.08050	6.3
95.08611	60.8
97.02903	22.0
97.06525	13.4
97.10165	6.3
99.04453	8.4
99.08099	5.2
105.04491	5.4
105.07040	70.1
107.04954	12.6
107.08601	50.4
109.02888	14.2
109.06531	9.7
109.10159	34.4
111.04420	4.6
111.08088	10.1
117.07015	30.3
119.08586	66.5
121.06523	9.4
121.10160	35.0
122.06896	3.6
122.10537	3.3
123.08071	4.2
123.11687	9.3
125.09597	5.5
127.03893	10.0
128.06223	10.3
129.05502	5.0
129.07001	30.2
131.08574	42.0
133.06499	3.7
133.10161	39.8
135.08060	6.1
135.11748	15.4
136.94347	3.1
137.09645	7.3
137.13219	4.0
141.07016	7.5
142.07774	5.6
143.08569	20.6
145.10121	30.9
147.08054	5.3
147.11717	33.0
147.12848	4.8
149.09662	7.9
149.13264	13.2
151.11198	6.4
155.08543	13.1
157.10130	19.3
159.08083	6.1
159.11707	25.2
161.09653	4.4
161.13281	16.9
163.11185	7.0
163.14853	4.9
165.12778	5.8
167.08580	8.6
169.10150	13.0
171.11673	15.2
173.04451	19.9
173.09732	4.1
173.13281	14.9
175.11140	4.4
175.14842	5.1
177.12709	7.5
181.10165	7.6
183.11711	17.2
184.07356	7.9
185.09612	3.8
185.13261	19.2
187.11195	5.2
187.14928	6.0
189.12781	4.7
193.10175	3.7
195.11710	9.7
196.11908	3.4
197.13318	8.7
199.14799	6.9
201.16356	5.3
209.13344	6.7
211.14923	5.7
219.11667	3.3
221.13301	3.7
223.14717	6.1
227.18040	4.0
229.19533	4.0
237.16370	6.0
241.19453	7.4
257.18994	6.4
259.20630	14.1
267.16006	9.3
271.20667	5.6
275.20108	22.3
277.21619	6.9
291.19617	4.3
301.21747	3.9
315.23630	4.4
316.03992	3.5
325.21793	3.8
333.24182	10.3
335.25754	11.3
349.23795	5.5
413.21838	4.1
441.26620	3.7
489.35690	5.5
513.35681	6.0
515.38092	4.3
527.37366	19.6
529.39081	3.9
533.39832	6.1
543.36609	4.9
545.38336	8.2
551.40820	4.2
580.89594	4.3
607.43542	43.5
625.44855	49.0
653.40356	3.6
689.42310	12.2
751.47900	5.5
763.81018	5.0
769.48169	7.2
787.48700	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	787.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	18.8
55.05270	2.9
55.05515	43.2
57.03446	16.6
57.07075	5.0
61.02933	14.4
62.40932	2.0
65.03937	7.7
66.17714	2.6
67.05511	87.5
68.05834	2.5
69.03140	2.5
69.03442	24.7
69.07074	36.8
69.30627	19.8
71.04990	10.4
73.02902	8.3
79.05499	66.4
81.03427	43.5
81.07064	100.0
83.04992	13.7
83.08630	22.6
85.02911	18.8
85.06542	6.0
86.09697	6.4
91.03944	7.6
91.05487	69.2
93.06484	4.9
93.07052	76.3
95.04988	14.6
95.08614	67.2
97.02895	22.7
97.06540	18.2
97.10175	9.8
97.89139	2.2
98.20798	5.3
99.04468	8.3
99.08107	3.0
101.36765	2.3
103.05439	2.9
105.04528	3.1
105.07037	72.1
107.04952	9.1
107.08597	42.7
109.02871	9.5
109.06548	12.9
109.10166	27.4
109.77579	2.6
111.04454	5.5
111.08080	11.4
115.05455	4.8
116.06200	2.3
116.12153	2.3
117.07019	34.1
119.08598	59.2
120.09032	3.3
121.06506	6.9
121.10154	32.6
123.08056	8.6
123.11696	11.1
125.00016	4.8
125.09619	8.1
127.03939	11.7
128.06226	9.2
129.05505	3.2
129.07022	23.5
130.07733	2.8
131.08583	43.4
133.06511	4.5
133.10143	42.2
135.08049	10.7
135.11699	17.6
137.09631	6.1
141.06999	11.1
142.07741	5.3
143.08580	30.5
144.09364	3.1
145.04916	2.5
145.06490	3.2
145.09061	2.9
145.10136	34.0
147.08018	5.0
147.11679	27.9
149.02316	8.8
149.09601	8.5
149.13281	11.3
150.02538	2.6
151.11223	5.1
153.01817	2.9
153.07040	3.0
154.07826	2.8
155.08568	21.9
156.09337	4.0
157.10124	28.6
159.08061	4.0
159.11693	26.6
161.09621	7.7
161.13225	13.7
163.11124	7.0
163.14839	4.2
165.06992	2.5
165.12735	3.8
167.08586	8.6
168.09331	3.1
169.10144	19.5
171.11702	22.4
173.04469	13.3
173.09642	3.0
173.11877	3.8
173.13258	16.1
175.11237	3.9
175.14804	6.9
177.12801	4.3
179.08517	4.7
181.10112	10.5
182.10817	3.3
183.11736	19.0
184.07370	19.0
185.09595	3.9
185.13266	17.2
187.11214	5.2
187.14833	9.9
189.16422	2.8
193.04964	6.6
193.10133	4.7
193.12260	3.0
195.11734	12.3
197.13286	17.0
199.14854	10.4
201.16429	2.7
203.14355	2.6
207.11664	4.6
209.13255	9.6
211.14828	10.2
213.16435	4.4
215.14478	3.5
215.17915	2.4
217.15981	4.0
221.13240	4.3
223.14813	7.1
225.16422	3.8
227.12714	5.1
227.18004	4.3
229.19511	2.6
234.31119	2.5
235.14900	4.6
237.16496	5.3
239.18011	6.5
241.19565	7.5
249.16527	3.6
251.18010	2.6
255.17453	2.8
257.18979	4.2
259.20639	15.0
261.22125	3.4
267.15988	8.8
273.18561	5.4
275.20245	18.4
283.20554	3.6
289.21887	2.6
291.19699	2.7
301.21808	4.2
309.22198	3.2
323.23697	2.8
333.24222	8.0
335.25674	8.2
349.23901	7.9
356.74118	2.5
365.28238	2.7
398.48761	2.5
421.31009	4.1
495.35089	3.3
509.36380	3.1
513.35889	19.5
515.37646	12.8
527.37189	17.1
533.39917	8.0
545.38135	3.7
551.40662	6.8
607.34509	2.9
607.43701	49.2
608.43298	2.8
609.44531	2.8
625.34595	4.4
625.44672	85.9
626.44830	5.8
649.45129	2.7
689.42908	7.5
733.46661	3.8
751.47070	3.9
769.48584	12.8
787.50159	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	787.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.6
55.05516	39.0
57.03437	9.7
57.07072	2.5
61.02919	6.5
65.03937	5.8
67.05509	71.6
69.03425	8.6
69.06737	1.9
69.07079	25.5
71.04980	5.8
71.18932	1.7
73.02911	2.8
79.05497	66.5
81.03416	5.1
81.07062	74.0
83.04985	4.7
83.08614	12.7
85.02892	6.0
85.06535	3.2
86.09724	2.4
91.03951	2.8
91.05486	90.5
93.06480	3.5
93.07050	56.9
95.04442	1.6
95.04971	8.9
95.08608	49.8
97.02878	4.7
97.06532	6.4
97.10172	7.0
99.08104	2.7
102.68378	1.5
103.05463	6.3
104.06248	1.8
105.04516	2.3
105.07039	57.1
107.04960	5.1
107.08604	28.0
109.06527	11.0
109.10184	10.4
111.08075	6.8
111.11697	1.6
115.05463	9.4
116.06231	5.8
117.07031	44.2
119.04931	1.9
119.08592	42.9
121.06515	5.1
121.10135	17.2
123.08031	10.3
123.11719	3.6
124.99986	1.6
125.09634	5.2
127.03909	2.1
128.06233	24.8
129.07007	28.9
130.07780	11.4
131.08578	87.6
131.25935	1.7
133.06538	9.2
133.10146	21.2
135.08098	5.6
135.11681	9.4
137.09555	4.3
139.11229	3.6
141.07021	14.4
141.09151	2.0
141.64447	1.5
142.07823	9.4
143.08568	95.5
144.08987	3.0
145.06448	4.4
145.10129	100.0
147.08063	12.1
147.11681	7.0
149.09644	5.0
149.13274	5.8
151.07573	3.0
151.11221	2.4
153.06993	1.6
154.07756	2.9
155.08536	9.8
157.10136	28.2
159.08035	5.6
159.11694	22.6
161.09610	14.4
161.13304	4.5
163.11205	4.4
165.06996	5.4
165.09206	2.0
166.07816	2.1
167.08556	7.1
169.10123	20.9
171.08096	2.3
171.11690	25.7
173.09573	4.4
173.13283	4.5
175.11241	6.7
177.12747	4.5
179.08530	2.7
180.09406	2.3
181.10126	18.1
182.10776	2.1
183.11719	13.8
184.07352	6.2
185.13287	6.7
187.10979	2.0
195.11696	21.9
199.11223	3.8
199.14780	1.9
201.12805	2.9
209.13249	4.1
211.14828	1.9
213.12823	2.7
227.17967	7.7
231.13689	2.0
237.16412	21.7
241.14514	2.3
245.19020	4.9
255.17450	31.3
257.60068	1.9
261.22235	5.9
273.18509	74.5
291.19553	2.9
329.20935	10.7
335.25836	90.9
336.25949	2.6
347.22147	36.9
410.08194	2.0
453.35443	2.1
516.43158	2.0
559.68420	2.0
589.41931	2.1
595.95685	2.0
607.43561	46.3
625.44360	6.0
743.00671	1.9
787.48273	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	787.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.7
55.05513	30.4
57.03432	9.7
57.07072	1.9
61.02934	7.4
65.03944	6.4
67.05507	62.1
69.03421	6.3
69.07072	18.1
69.78628	1.4
71.04984	4.0
73.02927	2.3
77.03928	1.6
79.05498	51.3
81.03407	4.9
81.07059	63.6
82.12955	1.3
83.04977	5.4
83.08620	11.8
85.02897	6.2
85.06557	1.7
86.09731	2.1
91.03955	2.4
91.05485	65.7
93.07047	49.7
95.04987	8.4
95.08614	45.3
95.09132	1.2
95.34304	1.2
97.02891	5.7
97.06538	3.9
97.10165	6.2
98.20701	2.3
99.21412	1.3
103.05458	4.1
105.04524	2.4
105.07035	50.6
107.04945	5.9
107.08599	26.1
109.06532	8.8
109.10170	13.2
111.08074	4.4
115.05460	6.6
116.06226	3.3
117.07022	34.2
119.08586	34.7
121.06500	4.7
121.10155	15.5
123.08070	4.3
123.11705	4.3
125.09667	3.4
127.03909	1.7
128.06213	15.5
129.07021	19.4
130.07803	6.7
131.08578	53.3
133.06532	6.7
133.10124	17.0
135.08037	5.1
135.11713	6.7
137.09586	2.1
141.06998	11.3
142.07784	3.9
143.08572	51.1
144.09314	1.6
145.06477	4.5
145.10135	55.4
146.10519	1.6
147.08066	8.1
147.11679	12.5
149.09618	5.6
149.13257	3.2
152.23674	1.4
154.07813	2.9
155.08543	9.3
157.10133	19.4
159.08014	4.2
159.11711	18.1
161.09605	11.7
161.13249	3.9
163.11238	3.7
165.07112	1.8
167.08498	2.0
168.09331	1.4
169.10110	12.1
171.11736	15.5
173.09602	3.2
173.13266	4.0
175.11165	8.0
177.12726	5.1
181.10150	7.6
183.11731	8.6
184.07388	5.6
185.09543	2.1
185.13300	6.9
187.14764	3.3
189.12761	2.5
193.10184	2.3
193.12241	1.6
195.11685	14.0
197.13306	1.8
199.11253	2.0
199.14861	2.7
209.13283	2.7
211.14873	2.2
213.12776	1.8
213.16272	2.2
221.13235	1.5
224.09758	1.7
227.17989	7.5
227.28711	1.4
237.16350	17.4
243.17390	1.7
245.19002	5.6
255.17461	22.4
259.20609	1.8
261.22162	3.3
267.15677	1.9
273.18506	65.5
274.18823	2.3
275.20102	1.9
286.30264	1.5
291.19571	3.2
311.84048	1.5
329.21414	6.4
335.25818	100.0
336.26086	3.6
347.22217	31.4
507.50815	1.8
607.43488	33.7
608.43823	2.6
625.44629	9.3
767.22589	1.4
787.51288	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	786.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05039	1.0
56.80646	0.1
57.07074	0.2
58.06621	0.6
59.07381	0.1
60.08168	7.5
67.05494	0.2
69.07061	0.1
69.20226	1.0
70.06602	0.2
71.07374	4.7
71.08607	0.2
74.78091	0.1
81.07048	0.2
83.08607	0.1
86.09710	37.3
87.10042	0.2
95.08617	0.2
98.98468	4.8
104.10751	3.7
108.16975	0.1
109.10152	0.1
109.50510	0.1
125.00011	25.6
133.25690	0.1
143.01086	0.2
160.95311	0.1
166.02600	0.1
174.92599	0.1
184.07349	100.0
185.07722	0.6
193.87372	0.1
276.72931	0.1
306.28012	0.2
478.32608	0.2
496.33951	0.2
509.54926	0.1
548.29968	0.1
762.66687	0.1
768.52106	0.3
786.52911	4.6
787.53754	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.2
55.05507	0.3
56.05038	0.9
57.03430	0.4
57.07074	0.2
58.06626	0.5
60.08168	6.8
67.05502	1.0
69.03428	0.1
69.07068	0.3
70.06578	0.2
70.75629	0.4
71.06985	0.2
71.07378	4.2
71.08619	0.4
74.21930	0.1
79.05503	0.6
81.03420	0.5
81.07052	0.8
83.04967	0.2
83.08613	0.3
85.02926	0.2
85.10157	0.1
86.09711	34.4
87.10029	0.2
91.05484	0.5
93.07051	0.5
95.04968	0.3
95.08610	0.5
98.98470	3.9
104.10751	3.6
105.07048	0.4
107.04939	0.1
107.08591	0.4
109.06538	0.2
109.10170	0.5
111.04431	0.2
119.08584	0.2
121.06468	0.1
121.10164	0.2
123.11694	0.1
125.00014	22.5
125.09642	0.1
129.07005	0.2
131.08542	0.1
133.10170	0.2
135.08113	0.1
145.06491	0.1
152.53209	0.1
156.78514	0.1
157.10208	0.2
166.02731	0.1
184.07352	100.0
184.65764	0.1
185.07701	0.9
193.12163	0.2
194.12741	0.1
195.66026	0.1
197.86903	0.1
211.13383	0.4
225.60524	0.1
247.74242	0.2
267.15820	0.1
285.17041	0.3
313.27551	0.3
388.05188	0.1
396.02759	0.1
496.33734	0.2
523.40363	0.3
524.40009	0.2
525.40619	0.2
768.51636	0.8
786.52777	5.8
787.53180	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.1
55.05520	0.1
56.05038	1.0
57.07069	0.2
58.06628	0.5
59.07133	0.1
59.07402	0.2
60.08168	7.1
67.05501	0.3
69.07057	0.1
70.06610	0.1
70.68547	0.2
71.07380	4.5
71.08634	0.2
72.69810	0.1
79.05484	0.1
81.07069	0.2
83.08618	0.1
86.09711	34.2
87.10040	0.2
91.05482	0.2
93.07066	0.1
95.08610	0.2
98.98473	4.3
104.10754	3.2
107.08557	0.1
109.10148	0.2
116.99527	0.1
125.00012	23.6
143.01085	0.2
166.02798	0.1
184.07352	100.0
185.07707	0.8
208.90831	0.1
229.13066	0.1
306.28030	0.3
341.60822	0.1
355.24347	0.1
467.37601	0.2
496.34103	0.2
768.52094	0.4
786.52826	5.7
787.52673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.4
55.05265	1.8
55.05516	20.3
57.03445	19.2
57.07079	2.5
59.04995	3.6
61.02919	4.0
65.03938	3.9
67.05509	100.0
67.34545	1.0
68.05844	1.0
69.03438	4.6
69.07074	16.8
69.14919	11.5
71.01355	1.0
71.04991	5.6
71.08650	1.7
73.02904	1.1
79.05497	44.6
81.03429	12.4
81.07063	58.0
83.04992	5.3
83.08628	10.7
83.36006	0.9
85.02915	7.6
85.06531	3.4
86.09696	3.0
91.03957	1.2
91.05486	33.1
93.07051	44.2
95.04986	9.6
95.08617	40.0
95.09066	0.6
97.02885	2.9
97.06540	7.1
97.10159	4.9
98.06064	2.2
98.98494	2.0
99.04465	1.2
99.08086	2.3
103.05465	1.4
105.04510	1.8
105.07037	20.6
107.04966	7.3
107.08598	21.2
109.06541	8.2
109.10165	59.2
110.10530	1.3
111.04467	1.3
111.08100	4.1
113.06065	1.3
115.05458	1.2
117.07019	11.0
119.08590	15.6
121.06538	6.1
121.10167	14.9
123.08069	3.4
123.11689	5.3
125.00027	1.8
125.09650	3.6
127.03928	1.3
128.06261	1.5
129.07008	2.4
130.07770	1.5
131.08586	13.5
133.10141	11.0
135.08084	2.5
135.11696	8.8
137.09633	3.3
137.13234	1.9
141.06993	2.2
143.08588	4.4
145.10127	10.7
147.11696	6.1
149.09557	2.7
149.13275	7.1
155.08592	2.0
155.10696	4.2
157.10213	2.5
159.08098	1.8
159.11699	9.5
161.09680	1.2
161.13281	4.4
163.11124	1.6
163.14841	3.1
169.10162	3.6
171.11682	2.9
171.95911	1.1
173.11749	17.0
173.13280	7.8
175.14905	1.8
177.12735	2.4
177.16469	1.7
179.10727	1.3
179.14342	1.2
183.11710	1.3
184.07364	10.3
185.13266	1.8
187.11205	2.9
187.14748	1.3
189.11177	1.9
195.11694	1.2
205.12256	2.4
213.16595	1.2
223.13287	10.8
227.12691	6.1
227.16312	1.0
229.14362	62.9
237.14856	2.0
243.21123	4.2
258.08887	1.4
259.20612	1.6
261.22171	16.6
275.20026	3.2
279.15942	3.6
284.59885	1.1
293.20947	1.6
297.16953	22.0
304.26254	1.4
306.28152	1.0
317.24753	4.1
318.24408	2.1
322.27460	6.8
333.24252	2.3
335.25815	76.9
336.25845	4.1
349.23810	2.2
353.26718	1.4
447.32413	1.6
465.33371	2.1
477.28278	1.3
483.34842	2.2
489.35791	34.6
490.36163	1.5
507.36346	1.6
539.37238	3.6
543.80823	1.1
557.38458	14.5
575.39667	3.4
757.94220	1.1
786.48596	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	786.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01632	1.4
55.01877	18.8
55.05272	1.9
55.05516	28.5
57.03441	10.0
57.07074	2.0
59.04988	1.9
61.02925	1.7
65.03926	4.8
67.05510	100.0
68.05832	2.5
69.03412	5.6
69.07074	38.0
69.51624	10.1
70.06591	1.3
71.04980	5.7
73.06555	2.1
77.03918	1.4
79.05499	96.2
81.03418	17.4
81.07062	66.7
82.07418	2.6
83.04992	17.2
83.08626	14.5
85.02892	4.7
85.06544	3.2
86.09711	4.9
91.05488	84.0
93.07050	78.9
95.01338	1.8
95.04976	27.2
95.08614	49.0
97.02884	5.3
97.06531	23.2
97.10171	7.4
99.04422	1.5
99.08102	1.9
103.05455	1.9
105.04515	2.6
105.07040	59.8
107.04958	18.6
107.08604	28.6
108.08928	1.7
109.02884	2.5
109.06522	8.4
109.10173	25.7
110.06917	1.3
111.04443	1.8
111.08058	5.5
112.30637	1.4
113.09693	1.5
115.05465	2.8
117.07014	20.2
119.08590	40.3
121.06504	6.0
121.10149	13.1
123.08081	6.9
123.11704	2.1
124.99990	3.5
125.09624	5.3
127.03944	1.7
127.07569	2.1
128.06245	3.3
129.05533	1.9
129.07005	17.6
131.08574	15.3
133.06490	1.4
133.10150	26.5
135.08057	3.4
135.11679	11.0
137.09621	13.8
141.06953	2.9
143.08560	12.1
145.09074	1.7
145.10136	22.2
147.08038	5.5
147.11705	38.7
149.09634	17.2
149.13269	3.3
151.11206	2.9
155.08574	2.2
155.10617	1.4
157.10097	2.8
159.11681	8.7
161.09604	6.6
161.13240	14.1
163.11189	13.0
165.09068	2.1
169.10146	1.9
171.10283	2.3
171.11716	27.3
173.11765	6.2
173.13206	3.2
175.11226	1.6
177.12695	3.4
179.14328	5.1
183.11719	1.6
184.07368	10.4
189.12773	12.1
191.10645	1.6
207.13834	25.1
225.14792	2.5
227.12788	4.5
229.14388	7.9
239.18062	2.2
253.14226	1.5
257.19012	7.5
259.20688	1.3
269.17230	1.7
273.18518	3.0
274.19107	1.6
275.20096	26.2
276.20392	1.9
281.17474	46.6
282.17831	1.5
283.15491	2.2
291.19571	6.5
293.21179	2.8
310.88205	1.6
321.15622	1.4
349.23715	23.0
365.23315	2.5
377.23212	4.2
406.55103	1.3
416.56793	1.3
417.26913	1.4
435.27475	29.3
459.31046	3.2
475.30594	1.9
477.28329	1.9
537.35675	3.3
539.33392	2.0
555.36780	34.3
556.37219	2.5
557.34442	3.3
571.35413	3.2
573.37524	2.6
589.36902	4.4
606.42847	1.8
645.47809	1.6
786.49054	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	785.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.7
55.05518	13.6
57.03450	6.1
59.05001	1.1
61.02929	24.4
65.03931	1.7
67.05510	29.2
69.03445	8.1
69.07077	10.0
69.85677	5.8
71.04983	3.3
73.02926	7.5
79.05502	23.1
81.03432	8.6
81.07059	26.9
83.04980	3.8
83.08634	9.6
85.02908	26.2
85.06525	2.1
86.19900	1.0
87.04477	1.3
91.03969	13.1
91.05486	33.8
93.07053	24.1
95.05000	5.5
95.08614	15.0
97.02898	20.2
97.06535	5.4
97.10183	3.3
97.20219	1.0
98.20758	1.3
99.04485	1.7
103.05461	2.9
105.07042	21.3
107.04965	5.6
107.08598	10.3
109.02885	2.8
109.06497	5.3
109.10158	7.6
111.04480	1.2
111.08092	3.3
115.03915	1.6
115.05485	3.5
115.56549	1.1
116.06237	1.3
117.07032	19.9
119.08589	16.1
121.06531	5.0
121.10143	6.3
123.08088	3.6
125.09619	2.1
127.03957	6.2
128.06247	5.2
129.07013	19.8
131.08565	27.6
133.06491	5.6
133.10129	9.5
135.08037	3.5
135.11722	4.4
137.05954	1.4
137.09625	1.7
139.11096	1.2
141.07005	11.2
142.07765	3.6
143.08569	21.1
145.04965	5.5
145.06522	6.1
145.07483	1.2
145.10129	13.6
147.08066	6.5
147.11705	4.5
149.09613	3.4
149.13197	1.9
151.11205	1.4
153.01831	2.8
153.07037	2.4
154.07826	2.4
155.08557	17.9
157.06493	2.8
157.10136	10.8
159.08089	3.9
159.11682	8.6
161.09605	2.0
161.13255	2.0
163.03810	0.9
163.06044	1.9
163.11200	2.5
165.07011	3.0
167.07358	1.4
167.08620	8.0
169.10152	10.4
171.08063	3.3
171.11691	7.3
173.04460	1.6
173.09634	3.4
173.13239	1.7
175.11205	3.5
177.12740	3.2
179.08583	3.5
180.09337	1.6
181.10139	7.8
182.10844	1.0
183.11720	6.3
185.09608	1.1
185.13211	4.9
185.39944	1.2
187.11143	3.2
187.14870	1.6
193.10141	4.4
193.12279	1.5
195.11697	8.4
197.09654	2.1
197.13275	5.8
199.11185	2.3
199.14806	1.4
201.12769	1.8
203.14362	1.7
205.12077	1.2
207.11702	2.5
209.13300	5.9
211.11197	2.3
211.14825	2.8
213.12852	2.8
213.16405	1.8
215.14307	3.9
217.15767	1.5
221.13208	7.7
223.14833	4.2
225.12685	1.7
225.16481	1.4
227.14359	2.0
229.14252	2.2
235.14847	3.9
237.12840	1.8
239.14389	5.8
241.15915	3.0
249.16499	1.4
253.15921	2.3
257.15359	3.5
259.17191	1.9
269.15277	1.2
271.16968	4.0
275.16550	1.6
277.03552	1.5
297.59579	1.1
303.01465	1.4
305.22849	1.5
315.20996	1.2
323.23804	3.5
333.22153	10.3
341.24594	5.8
351.23187	31.8
369.24258	25.9
376.99301	1.0
387.21860	1.0
387.25461	11.3
425.26840	9.5
433.29352	1.7
443.27966	100.0
444.28467	5.0
461.29028	66.4
462.29202	3.1
473.29028	1.1
479.30133	1.3
482.23184	1.1
485.28775	3.2
498.40686	1.1
503.29825	2.6
515.28394	1.1
569.31409	2.5
587.32135	2.0
605.32648	3.9
623.34277	3.5
671.29492	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.82400	0.1
57.05835	0.1
68.99809	0.2
69.03414	0.4
71.06354	0.2
79.01857	7.9
81.03418	2.5
87.00818	0.2
95.01364	0.2
97.02892	1.5
97.03457	0.2
107.01331	1.6
107.04933	0.1
109.02882	2.4
112.49464	0.1
123.00812	0.4
125.02355	3.3
127.03930	2.2
131.49980	0.1
135.04391	0.2
143.03406	6.9
153.01840	100.0
153.02905	6.8
154.02156	1.1
154.03181	0.1
159.04413	0.2
161.02338	0.3
163.03928	0.6
179.03333	0.1
189.01884	0.4
191.03447	0.5
205.05042	0.2
207.02963	0.3
215.03403	0.2
217.01305	0.8
219.02911	0.4
221.00906	0.2
231.03015	0.1
233.04486	0.4
235.02376	0.8
245.00775	0.5
247.02428	0.4
261.03979	1.1
263.02014	0.2
273.00400	0.6
275.01855	0.5
277.03516	0.1
279.04990	1.7
291.01309	0.2
300.99805	0.3
303.01407	0.2
319.00824	0.2
336.97934	0.2
337.01904	3.4
364.17612	0.1
403.02924	0.3
445.04050	0.5
449.07224	0.2
463.05307	0.2
510.75760	0.1
626.93683	0.1
780.12079	0.1
785.08148	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.6
55.05519	13.0
57.03456	5.5
61.02935	24.4
62.85196	0.9
65.03950	1.6
67.05511	24.8
69.03430	5.9
69.07079	9.5
70.68547	1.9
70.68916	2.1
71.04994	3.0
73.02921	7.8
75.87333	0.8
78.33486	1.0
79.05063	1.7
79.05503	21.1
80.15430	1.1
81.03416	9.1
81.07063	24.0
83.04990	3.9
83.08626	6.2
85.02910	25.0
85.06567	2.2
91.03969	11.9
91.04910	1.6
91.05489	30.1
93.07057	21.1
95.04989	5.8
95.08618	14.2
96.28197	0.9
97.02901	16.8
97.06550	3.6
97.10184	3.5
99.04457	2.8
103.05487	1.6
105.07038	21.3
107.04964	4.2
107.08603	9.2
109.02900	2.4
109.06525	3.8
109.10155	6.8
111.08109	2.1
115.03796	1.0
115.05469	3.5
117.07028	16.7
119.04955	1.6
119.08596	14.5
121.06541	3.8
121.10139	6.0
123.08066	2.7
125.09581	1.5
127.03936	5.6
128.06229	4.1
129.07013	20.1
130.07819	1.1
131.08574	25.7
133.05582	1.3
133.06500	4.4
133.10156	9.7
135.08089	3.6
135.11708	3.1
137.09610	1.6
141.06998	10.1
142.07848	1.3
143.08562	17.8
145.04997	5.1
145.06436	6.0
145.10132	12.3
146.07126	0.9
147.08067	4.3
147.11699	5.0
149.09627	3.8
149.13301	1.7
153.07028	2.0
154.07773	1.5
155.08574	14.6
156.59235	1.0
157.10135	10.2
159.08086	3.6
159.11693	10.9
161.09682	2.5
161.13210	1.1
163.06055	2.3
163.11189	2.5
165.07037	2.1
166.07745	2.2
167.08572	7.4
169.10146	11.1
171.08128	3.9
171.11681	8.1
173.09599	2.9
173.13290	2.5
175.11211	2.4
177.12802	3.8
178.07724	1.0
179.08598	4.6
180.09554	1.0
181.10089	7.7
183.11678	7.1
185.09706	1.1
185.13295	4.7
187.11220	1.6
187.14844	1.6
189.12773	1.3
193.10181	5.2
193.11934	1.2
195.11722	8.7
197.09662	2.1
197.13310	4.3
199.11211	2.2
199.14828	2.8
201.12831	1.8
207.11678	3.5
209.13286	5.1
209.68536	1.0
211.11409	1.4
211.14917	2.4
213.12843	2.1
213.16420	1.9
215.14326	3.0
221.13284	5.0
223.14833	4.8
225.12793	2.1
225.16473	1.7
227.12663	1.2
229.14278	1.8
231.17323	1.2
235.14867	3.8
237.16478	1.5
239.14336	3.8
241.15956	2.4
243.17477	1.4
253.15921	2.1
257.15442	3.2
258.20398	1.0
271.16904	2.8
285.18527	1.5
304.44601	1.0
305.22772	1.4
315.21219	1.3
323.23737	2.5
333.22150	7.7
341.24777	4.4
351.23221	28.7
352.22638	0.9
369.24323	21.8
387.25369	11.3
389.24530	1.4
425.27039	7.2
433.29688	1.5
443.27972	100.0
444.28195	4.2
461.29022	55.8
462.29327	2.6
485.28879	1.1
503.29749	1.4
551.29895	1.9
587.31958	2.0
605.33191	2.9
623.34180	3.3
785.40613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.6
59.13272	0.7
69.03432	14.9
71.04996	1.4
71.51707	0.8
79.01878	0.7
79.05504	0.9
81.03421	40.0
83.01355	0.9
85.02897	5.2
91.05505	3.5
97.02886	4.0
99.04450	3.1
101.02351	0.8
103.05483	3.4
109.02883	20.9
109.03585	1.3
111.04545	0.7
117.03370	1.1
119.04952	3.4
127.03925	10.8
129.03387	1.3
131.04942	5.0
133.02864	1.0
135.04468	0.8
137.02376	1.2
143.03430	0.8
145.02882	1.6
145.04999	1.3
147.04417	14.2
153.01833	9.0
153.02975	1.4
157.02907	2.8
159.04414	6.3
163.03934	4.8
165.01859	3.9
165.05504	1.3
173.02415	1.8
175.00339	1.5
175.03920	14.8
177.01837	1.5
177.05463	3.1
179.03426	1.0
183.00819	0.6
185.02377	2.2
187.03918	4.7
191.03426	7.9
192.04161	0.6
193.01328	9.8
193.04941	3.9
201.01820	6.7
202.02554	1.3
203.03395	30.2
205.01373	1.6
205.05026	2.2
207.02943	2.5
209.00900	1.0
213.01794	4.4
215.03464	3.6
217.01466	1.0
219.02893	14.2
221.00847	25.9
221.04391	16.0
229.01311	6.8
230.02043	1.1
231.02885	37.0
232.03246	0.8
233.00841	2.2
239.01903	1.0
241.01324	3.8
247.02390	19.1
249.03957	11.0
257.00824	9.1
259.02399	33.8
265.03415	2.0
275.01865	21.0
276.02716	7.9
276.56732	0.6
277.03445	100.0
278.03790	2.9
279.03693	0.9
284.11502	0.7
285.00345	8.5
289.03421	1.0
293.02847	5.4
303.01349	90.0
304.01660	2.7
321.02423	23.6
322.02664	0.8
339.03448	22.3
389.17142	0.7
411.03354	0.8
419.05948	1.3
429.04648	1.4
447.05511	3.3
458.71426	0.7
465.06473	3.4
483.07892	1.3
577.76624	0.6
785.08319	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	785.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.1
57.03437	0.5
68.99802	0.5
69.03433	13.7
71.01357	0.6
71.04996	0.7
71.28085	1.0
74.28014	0.5
79.01884	0.7
81.03423	33.1
82.03783	1.0
83.01402	0.7
85.02929	2.2
91.05495	1.2
97.02904	3.2
99.04466	1.7
103.05519	1.3
107.04989	0.8
108.31419	0.5
109.02890	17.6
109.03596	1.0
117.03426	0.9
119.04988	1.3
120.11721	0.5
125.02345	0.6
127.03924	6.3
131.04945	1.2
133.02890	0.8
135.04404	0.8
136.97122	0.6
137.02380	1.2
143.03412	0.5
145.02849	0.9
145.04877	0.7
147.04422	5.4
149.02290	0.6
153.01866	4.8
157.02887	1.9
163.03931	4.2
165.01895	2.6
165.05568	0.8
173.02376	2.0
174.02977	0.6
175.00240	0.5
175.03900	4.7
177.01819	1.5
177.05510	0.8
179.03368	1.2
185.02367	1.8
187.03958	4.4
189.01714	0.6
191.03423	11.0
193.01346	6.5
193.05037	1.5
201.01840	5.4
202.02527	0.8
203.03415	12.7
205.01382	2.2
207.02963	1.6
213.01875	4.2
215.03448	3.3
217.01378	0.6
218.01872	0.7
219.02921	11.2
220.03279	1.1
221.00826	31.6
221.04517	1.8
229.01352	4.1
230.02007	0.8
231.02893	22.8
232.03300	1.1
233.00867	4.1
235.02434	1.0
239.01898	6.1
241.01344	3.7
245.00749	0.9
247.02417	17.7
249.03958	1.9
257.00830	8.5
258.01273	1.0
259.02405	34.5
260.02734	1.7
261.02911	0.6
265.03439	1.1
275.01874	22.3
276.02612	6.7
277.03452	100.0
278.03717	4.7
279.04019	2.2
285.00323	5.2
289.03470	1.1
293.02887	2.4
303.01364	75.2
304.01700	4.6
305.02237	1.5
321.02405	12.5
331.00436	0.8
337.01862	1.5
338.02350	1.1
339.03442	12.2
409.03870	1.0
411.03418	0.9
419.06186	0.7
429.04492	1.6
447.05402	3.1
465.06805	4.1
483.07925	0.6
507.31299	0.7
522.66602	0.6
616.43683	0.5
785.08307	8.5
786.08112	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.05501	1.5
56.05038	0.8
57.07072	0.3
65.50549	0.3
67.05512	3.8
68.05033	0.3
69.03418	0.5
69.07069	1.8
69.16183	0.9
69.16602	2.2
69.85371	0.3
71.05000	0.5
71.08638	1.2
79.05498	2.1
81.03426	1.5
81.07065	3.0
83.04964	0.4
83.08622	0.7
84.08143	0.4
84.75051	0.3
85.02895	0.5
86.09708	100.0
87.10046	0.8
91.05482	2.8
93.07064	2.1
95.04974	0.6
95.08607	1.3
97.02905	0.5
97.06528	0.6
97.10155	0.5
98.09682	1.7
103.05486	1.3
105.07037	3.5
107.04953	0.5
107.08599	1.3
109.02897	0.5
109.06522	0.5
109.10168	1.3
110.09718	0.4
112.11247	7.3
115.05483	0.3
117.07011	0.9
119.08588	1.1
120.08111	44.3
121.08434	0.6
121.10150	0.4
123.08064	0.3
129.07059	0.4
131.08560	1.3
132.08057	0.4
133.10123	1.6
141.06972	0.3
141.10129	0.3
145.10120	0.7
146.09610	2.2
151.11279	0.4
154.15910	17.4
155.08632	0.3
155.16283	0.3
157.13365	10.6
159.11693	0.5
163.11226	0.3
167.11781	0.4
171.11748	0.3
173.04456	0.4
181.16998	0.4
182.15472	0.3
184.07379	0.5
185.12869	12.9
188.14352	7.8
191.11824	0.4
199.18062	15.5
209.16496	0.7
219.11311	1.0
223.13293	0.8
225.19633	7.2
225.21725	0.6
227.17548	12.6
228.17923	0.3
233.16504	15.0
233.18846	0.7
235.18208	0.4
243.15038	0.4
253.14519	1.5
253.19112	6.5
259.17981	1.9
261.15988	13.5
267.24332	7.0
275.19873	0.5
277.22623	0.6
279.12195	0.3
280.20068	0.4
281.18564	0.5
287.17566	2.7
291.19412	0.6
291.25314	0.3
295.23834	4.2
298.21274	7.8
301.22754	6.6
311.20901	0.6
329.22308	4.1
332.19672	4.5
340.25980	3.1
349.23297	0.4
356.23444	0.4
365.23233	0.4
366.27649	2.3
374.24374	4.5
383.30075	1.6
400.25931	3.4
408.32462	1.4
411.29752	5.3
417.28464	1.5
421.27805	0.5
425.34988	0.4
442.30704	2.0
445.28073	4.7
453.34320	0.6
459.33499	1.6
473.27646	0.4
479.36014	2.0
487.32739	2.2
496.38623	1.0
513.34338	4.6
524.38184	4.4
527.39441	0.5
530.37036	2.9
541.33575	0.4
555.39246	1.7
558.36542	9.9
572.41571	0.9
587.35870	0.6
592.43890	1.3
598.43079	0.5
600.40875	1.1
609.46442	0.9
626.42828	6.4
637.46124	1.3
643.45422	4.8
653.43982	0.6
668.47290	1.1
671.44922	12.4
672.44910	1.0
711.50775	0.4
713.49420	0.4
739.50983	2.9
756.42542	0.3
756.53979	4.9
766.52332	2.0
784.53534	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	783.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.1
55.05513	14.5
56.96597	0.9
57.03238	0.7
57.03444	8.0
59.05000	1.0
61.02923	0.9
64.09001	0.8
65.03931	2.0
67.05511	21.2
68.99812	0.6
69.03436	25.8
69.07080	5.0
69.17058	3.4
69.17475	4.5
71.01349	2.1
71.05002	6.2
71.12141	0.7
73.02918	1.8
79.05152	0.6
79.05498	23.3
81.03424	100.0
81.07066	23.6
82.03698	0.8
83.04985	17.4
83.08630	15.5
85.02914	18.4
85.06553	1.7
91.03957	1.2
91.05488	25.9
93.07049	15.8
95.01376	0.9
95.04976	21.7
95.08030	1.3
95.08607	8.2
97.02900	27.7
97.06532	5.6
97.10175	4.9
98.21559	1.1
99.04465	10.4
99.08109	1.0
101.02386	1.3
103.03994	1.1
103.05495	1.4
105.04571	0.9
105.07043	20.2
107.04970	6.5
107.08599	8.1
109.02882	20.8
109.06510	3.8
109.10178	3.2
111.04447	11.2
111.08081	6.3
113.06010	0.9
115.05481	1.6
117.07019	4.2
119.04956	2.1
119.08595	17.0
121.06536	4.8
121.10146	7.8
123.04467	2.9
123.08070	2.3
123.11743	2.9
125.02328	1.0
125.09663	3.3
127.03930	16.9
128.06291	1.2
129.05528	2.6
129.06993	8.8
131.04951	1.5
131.08585	9.9
133.06566	3.6
133.10136	7.4
135.04448	1.1
135.08092	1.9
135.11725	2.7
137.05983	1.4
137.09639	1.6
139.03918	1.2
142.07811	2.0
143.08606	1.1
145.04971	1.3
145.06502	2.1
145.10152	3.3
147.04463	1.5
147.08080	2.4
147.11688	14.3
149.06029	2.4
149.09630	4.7
151.03920	1.0
151.11249	1.1
153.01785	5.2
153.12711	1.5
157.06479	1.2
157.10135	9.4
159.08200	1.1
159.11775	0.7
161.05930	0.8
163.11166	5.6
165.05586	1.1
165.12770	4.5
171.08055	1.1
171.11749	1.2
173.04474	11.7
173.05852	1.1
173.09660	1.5
175.11194	9.6
181.12300	2.0
183.06570	1.0
189.11220	1.1
189.12834	1.6
191.10788	3.1
193.12263	29.9
199.11160	1.2
207.13770	0.9
209.11665	1.5
211.13307	47.8
212.13721	1.0
213.14915	1.0
223.13423	1.4
227.12823	3.5
229.14444	3.0
235.06055	1.3
235.13402	1.3
249.14975	2.9
253.07199	2.3
259.13293	1.3
265.14435	1.0
267.08908	0.9
267.15945	13.1
271.08176	1.0
273.14941	3.1
277.03561	1.1
277.14294	1.1
283.06589	1.1
283.15640	1.1
285.17001	9.8
301.14325	4.4
317.06818	1.3
319.15424	2.7
337.16531	3.9
347.18823	1.1
355.17538	6.1
375.17978	1.6
385.23813	1.1
393.19250	3.0
411.20163	7.3
429.21384	3.0
459.27280	5.2
477.28418	4.3
481.20428	1.3
495.29535	5.2
499.22195	1.1
555.24524	1.0
585.30872	1.8
603.31708	2.8
621.08862	1.7
621.32819	7.4
639.34070	4.0
747.36145	1.5
765.36951	3.4
783.38019	19.4
784.36859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.9
58.06635	0.4
59.07117	0.1
59.07394	0.2
60.08168	6.1
67.05499	0.2
69.84663	0.6
70.06590	0.1
71.07377	3.9
79.05463	0.1
80.97488	0.1
81.07069	0.3
86.09711	28.8
87.10049	0.2
93.07018	0.2
95.08581	0.1
96.24971	0.1
98.97974	0.1
98.98468	3.8
104.10754	2.1
125.00011	20.4
126.00278	0.1
143.01064	0.2
180.93140	0.1
184.07349	100.0
185.07700	1.0
194.37970	0.1
324.46707	0.1
518.32434	0.2
520.32910	0.1
780.55621	1.5
781.55072	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	783.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
62.87830	0.5
68.63951	0.5
69.03434	27.2
69.26962	1.2
69.27366	3.9
71.01350	1.4
71.04990	0.8
72.39542	0.5
75.73951	0.6
79.05499	0.9
81.03424	39.6
83.01319	1.6
85.02909	1.8
89.03901	1.0
91.05473	1.2
96.58567	0.5
97.02901	4.2
99.04440	1.6
101.02406	0.7
103.05471	1.5
105.03366	1.3
107.04964	1.4
109.02126	1.1
109.02882	20.4
112.00185	0.5
117.03379	1.3
119.04956	0.9
127.03928	8.3
129.03317	0.6
131.04909	0.7
133.02873	3.1
135.04427	1.6
145.02802	1.7
147.04401	3.3
151.59930	0.6
153.01833	1.3
157.02826	1.5
161.02373	3.0
163.03914	7.0
165.01849	1.5
173.02335	3.6
175.03943	3.6
177.01790	0.9
179.03377	2.9
181.01270	0.7
185.02299	1.7
187.03905	5.2
189.01836	8.4
190.02588	0.8
191.03400	10.5
193.01358	1.7
201.01845	7.7
203.03426	5.4
205.01265	0.9
207.02885	7.6
213.01834	4.0
215.03378	4.3
217.01329	10.2
218.02081	1.7
219.02902	11.7
221.00850	2.3
221.04456	0.8
229.01332	6.9
230.02037	1.0
231.02896	22.6
235.02400	15.5
236.02763	0.7
239.01791	0.8
241.01306	4.1
245.00841	10.6
247.02391	14.0
249.03976	0.7
257.00818	10.5
259.02399	34.6
260.02798	0.9
261.03900	0.9
263.01846	4.9
271.99762	0.6
273.00305	10.2
274.01074	1.4
275.01880	18.4
276.02615	8.1
277.03448	100.0
277.74939	0.6
278.03870	2.4
285.00372	6.3
289.03445	0.8
291.01279	3.2
300.99872	4.7
302.00531	0.6
303.01367	91.1
304.01758	2.5
305.02948	1.7
319.00894	7.1
321.02554	1.3
325.03488	0.6
331.00748	1.2
332.21729	0.6
337.01926	31.0
385.05560	0.9
407.02448	1.2
429.04486	1.6
445.04153	1.5
447.05585	1.5
463.05093	8.3
481.06256	1.0
783.06787	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	780.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.1
56.05040	0.9
57.03443	1.5
57.07077	2.6
58.06604	0.4
60.08167	6.2
67.05511	2.5
69.07076	0.9
69.14085	0.2
71.07372	3.4
71.08635	2.0
71.11773	0.5
79.05494	1.4
81.03428	5.5
81.07053	2.6
83.04996	0.3
83.08627	2.0
85.10203	1.4
86.09708	31.4
91.05481	1.7
93.07043	1.0
95.04976	1.6
95.08621	2.3
97.06570	0.2
97.10168	0.4
98.98473	4.2
104.10770	1.8
105.07036	1.2
107.04922	0.4
107.08588	0.7
109.06504	0.3
109.10176	0.9
111.08076	0.4
113.00038	0.6
117.06956	0.3
117.67211	0.2
119.08593	1.2
121.10152	0.6
123.08105	0.4
123.11704	0.4
125.00011	21.7
129.07014	0.6
130.89079	0.2
131.08586	0.6
133.06534	0.3
133.10150	0.4
135.08092	0.3
145.10146	0.3
147.07982	0.3
147.11722	0.6
149.13266	0.2
157.10098	0.8
175.11249	0.4
180.99631	0.2
184.07346	100.0
185.07666	1.0
193.12259	1.8
249.14740	0.3
267.15909	8.9
297.62021	0.2
331.26102	0.2
332.26578	0.2
341.30505	8.0
342.30731	0.3
387.28983	0.3
407.45001	0.2
519.40729	0.2
533.42010	6.2
534.42004	0.6
677.00842	0.3
780.55450	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	779.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.3
57.03424	1.9
60.08152	1.6
61.02927	4.6
67.05511	4.2
69.03433	3.0
69.07067	1.9
71.01345	0.6
71.04994	0.8
71.05888	0.5
71.06245	1.0
71.07381	0.8
71.91232	0.4
73.02925	2.7
76.10093	0.4
76.30880	0.4
79.05503	4.1
81.03425	4.9
81.07060	5.0
83.04988	1.3
83.08626	1.3
85.02905	6.4
86.09707	8.2
87.10017	0.7
91.03975	2.5
91.05482	4.1
93.07045	3.0
95.04965	1.9
95.08598	2.0
97.02892	4.2
97.06541	1.0
98.98463	0.9
99.04440	1.0
101.02380	1.9
104.10781	1.0
105.07018	3.2
107.08611	1.4
109.02898	1.0
109.06518	0.6
109.10142	1.3
117.06991	0.8
119.08584	2.1
121.10139	1.3
124.71543	0.4
125.00009	5.9
127.03929	1.3
129.06989	1.0
131.08566	1.2
133.10133	1.9
135.11703	0.9
139.03903	0.5
139.25786	0.4
147.07997	0.5
147.11723	1.6
149.09624	0.6
149.26668	0.4
157.10168	1.3
159.11711	0.6
174.51208	0.4
175.11205	0.7
184.07343	25.7
185.07700	3.4
193.12321	1.4
243.08429	2.8
251.12651	1.2
281.90683	0.4
333.20432	1.9
389.23041	0.4
416.70398	0.5
453.21094	1.0
469.20413	9.3
492.96146	0.4
551.28516	3.5
643.90155	0.5
681.34082	0.7
779.41840	100.0
780.42188	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	779.4189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.5
57.03434	1.9
60.08156	1.2
61.02929	3.9
66.24609	0.4
67.05508	3.4
69.03433	2.9
69.07079	1.7
71.05005	0.9
71.07370	0.9
73.02915	2.6
79.05495	2.4
81.03425	3.1
81.07061	4.1
83.05002	1.0
83.08638	1.1
85.02924	5.5
86.09710	5.1
87.10059	0.7
91.03963	2.1
91.05485	2.7
93.07057	1.9
95.04993	1.6
95.08632	1.7
97.02907	3.5
97.06551	0.5
98.20813	1.2
98.98472	0.6
99.04449	0.6
101.02412	1.4
104.10722	0.5
105.07053	2.3
107.05006	0.6
107.08624	1.5
109.02909	0.5
109.06552	0.6
109.10198	0.9
115.05516	0.4
117.06973	0.5
119.08615	1.8
121.10184	1.3
125.00011	3.1
125.09653	0.4
127.03945	1.1
129.07010	0.9
131.08585	1.4
133.10133	1.1
138.82884	0.4
142.07855	0.5
143.08566	0.5
147.11720	1.1
149.09705	0.5
175.11206	0.9
184.07358	19.0
185.07755	2.7
193.12343	1.0
201.53284	0.4
243.08429	2.7
247.87508	0.5
251.12476	0.9
266.60403	0.4
285.16882	0.5
331.23227	0.5
333.20477	1.8
439.19348	0.5
453.20703	0.6
454.58923	0.4
469.20474	8.5
551.28119	2.6
779.41895	100.0
780.42346	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	778.538
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05046	1.0
58.06363	0.2
58.06624	0.3
60.08168	6.4
60.25232	0.1
60.57241	0.1
62.52205	0.1
67.05506	0.3
68.32525	0.1
70.06610	0.3
70.62180	0.1
70.76028	0.2
70.76367	0.2
71.07376	4.6
71.89911	0.1
79.05489	0.1
80.97430	0.1
81.07067	0.3
86.09711	32.3
87.10045	0.3
91.05499	0.1
93.07069	0.2
98.98473	4.4
104.10749	2.2
113.60090	0.1
116.07108	0.1
125.00013	22.9
126.25660	0.1
130.08635	0.1
133.10123	0.2
143.01100	0.1
156.26498	0.1
184.07352	100.0
185.07722	0.7
221.47911	0.1
518.31818	0.2
624.61365	0.1
778.53741	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.3
56.05043	0.7
58.06620	0.5
60.08167	5.7
67.05505	1.0
67.87032	0.1
68.05850	0.1
69.03431	0.4
69.07079	0.2
69.30806	0.7
69.31238	0.5
70.06583	0.5
71.07375	3.6
72.94625	0.1
73.02925	0.2
73.46233	0.1
79.05493	0.7
81.03402	0.6
81.07074	0.8
84.08114	0.1
85.02908	0.3
86.09709	32.1
88.07619	0.2
91.03969	0.2
91.05473	0.6
93.07044	0.5
95.04929	0.2
95.08595	0.4
97.02908	0.2
98.98466	3.3
102.09193	0.3
104.10747	2.1
105.07017	0.5
107.08587	0.4
109.10149	0.2
119.08575	0.2
121.10214	0.2
125.00011	21.0
127.03980	0.2
130.70924	0.1
131.00172	0.2
133.10193	0.2
147.11688	0.2
149.02402	0.8
160.11195	0.2
184.07347	100.0
185.07758	0.8
193.04962	0.4
228.23270	0.6
261.22534	0.2
293.05420	0.1
312.60559	0.2
321.05225	0.2
470.20926	0.2
577.13495	0.3
621.58508	0.2
710.43872	7.4
711.44434	0.6
778.41003	5.7
779.41418	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.9
55.05270	1.2
55.05512	18.5
57.03433	14.1
57.07081	9.4
60.08156	1.9
65.03929	1.0
67.05504	21.5
69.03426	1.9
69.07070	27.3
70.07430	0.8
71.01093	1.0
71.01441	1.2
71.04987	2.0
71.07394	1.6
71.08640	5.4
72.72651	0.8
77.98096	0.9
79.05492	13.5
81.03416	64.5
81.07055	25.4
82.03752	1.1
83.04996	3.8
83.08617	30.0
85.02892	1.5
85.06543	1.8
85.10181	1.2
86.09702	11.9
87.10043	1.0
91.05481	12.3
93.07039	12.6
94.36703	0.9
95.04967	18.9
95.08608	20.4
97.02906	1.6
97.06521	3.5
97.10165	12.9
98.98476	1.0
99.08088	1.6
104.10765	1.0
105.07027	11.1
107.04952	5.0
107.08591	8.3
109.06495	2.6
109.10153	11.4
111.04398	0.9
111.08078	6.4
111.11712	3.3
119.08582	9.8
121.06462	1.8
121.10156	11.6
123.08098	1.5
123.11694	3.1
125.00004	8.4
125.09583	1.1
128.01425	0.8
129.07005	6.7
131.08559	6.0
133.06473	2.8
133.10114	3.7
135.11682	6.6
137.13252	1.0
142.07803	1.2
145.10094	2.5
147.08116	2.1
147.11687	5.7
149.09607	3.2
149.13261	2.5
157.10106	7.5
159.11732	1.0
163.14832	1.4
165.12767	1.8
175.11185	7.3
180.09441	0.8
184.07333	36.9
185.07686	1.7
193.12248	18.8
211.13278	1.3
249.15001	2.1
258.08984	1.5
265.25317	1.4
267.15921	100.0
268.16159	1.9
301.14200	1.6
307.84424	0.8
309.16888	1.1
313.27069	0.9
339.28943	80.3
340.29279	3.1
377.34369	0.8
457.36511	2.7
467.37128	1.1
531.40479	70.7
532.40607	4.8
549.41412	9.6
573.41437	1.1
587.47009	0.9
630.41339	2.0
748.44830	1.0
778.53296	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.4
56.05035	0.9
57.03428	0.2
58.06582	1.1
59.07126	0.2
59.07370	0.8
60.08168	5.6
61.02936	0.3
67.05506	0.8
69.07071	0.3
71.07379	3.2
79.05505	0.5
81.03399	0.3
81.07063	0.7
83.04973	0.2
85.02901	0.3
86.09711	29.8
87.10046	0.3
91.05482	0.6
93.07039	0.5
95.04961	0.2
95.08593	0.2
97.06542	0.2
98.20722	0.3
98.21406	0.6
98.98469	3.1
104.10749	3.2
105.07034	0.3
107.08575	0.3
109.10178	0.3
119.08607	0.3
121.10104	0.2
125.00014	18.7
133.10121	0.1
135.11684	0.2
135.23347	0.1
156.31775	0.2
162.92946	0.2
168.19437	0.2
184.07353	100.0
185.07677	0.6
222.08850	0.6
224.10442	0.3
238.02438	0.2
251.74263	0.2
469.20209	0.3
551.27887	0.2
622.33057	0.5
648.34265	0.5
678.35413	0.3
744.43604	0.3
760.42981	0.3
778.45020	2.1
779.41882	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	777.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
55.05515	3.1
57.03443	1.8
60.08162	1.9
61.02936	3.4
61.83492	0.5
67.05505	8.3
69.03436	3.3
69.07078	2.4
69.22485	1.1
69.22887	4.0
70.07414	0.5
71.05006	1.6
71.07379	1.6
73.02934	3.2
74.82113	0.6
75.62816	0.5
79.05491	7.4
81.03407	3.5
81.07059	7.1
82.03777	0.6
82.07397	0.9
83.04997	1.8
83.08627	2.4
85.02914	4.1
86.09700	8.6
86.10171	0.6
87.10064	0.7
91.03957	1.8
91.05479	4.6
92.05815	1.2
93.07043	5.2
95.04964	2.1
95.08601	4.8
97.02910	3.5
97.06541	1.5
97.10176	1.0
98.21458	1.3
98.98469	0.7
99.04475	0.6
99.08093	1.1
101.02416	1.2
105.07021	3.0
106.07371	0.8
107.04913	0.7
107.08594	4.5
109.02869	0.8
109.06573	0.9
109.10181	1.5
111.08097	1.1
117.07028	1.5
119.08585	3.2
120.08935	0.9
120.43103	0.5
121.06534	0.7
121.10159	2.1
125.00005	6.7
125.09663	1.0
127.03917	1.0
129.07071	1.0
131.08609	1.2
133.10149	2.3
135.11673	4.1
137.09679	1.0
137.44136	0.6
145.10118	2.6
147.11732	0.9
151.11217	0.7
157.01924	0.6
159.11732	1.0
163.11169	4.5
163.16595	0.6
173.13179	0.5
184.07346	31.9
185.07721	3.4
193.12273	1.5
194.12717	0.8
209.87279	0.5
211.13347	2.0
212.13892	0.8
227.12764	3.2
228.13130	0.9
234.84590	0.5
237.49670	0.6
243.08414	2.8
249.10968	6.7
269.17645	0.6
270.17612	0.6
285.16995	0.7
305.13651	2.2
333.20370	1.5
349.24207	0.6
350.24075	0.6
362.13095	0.5
439.19440	1.1
453.20834	0.9
467.18967	11.9
467.25323	0.7
480.30737	1.2
482.30933	1.0
504.34177	1.0
551.28467	5.0
561.38275	0.8
562.37994	1.0
608.12994	0.6
679.32770	0.7
777.40320	100.0
778.40643	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	777.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
55.05505	1.9
57.03432	1.5
60.08139	0.8
61.02934	4.7
65.03946	0.5
67.05515	4.4
69.03426	3.7
69.07078	1.4
71.01333	0.6
71.04998	0.7
73.02925	2.9
74.57333	0.5
79.05505	4.3
81.03429	5.0
81.07063	6.0
83.05003	1.3
83.08633	1.5
85.02910	7.3
85.05495	0.5
85.06563	0.5
86.09713	5.0
87.10056	0.5
91.03979	2.5
91.05476	4.6
93.07048	3.6
95.04990	3.2
95.08618	2.3
96.08935	0.6
97.02914	4.5
97.06538	0.8
97.10173	0.6
99.04467	1.0
101.02406	1.5
105.07038	4.1
107.05035	0.8
107.08608	2.0
107.92951	0.5
109.02876	0.8
109.06551	1.3
109.10160	0.8
117.07103	0.6
119.08587	2.9
121.10183	1.5
125.00043	3.7
127.03946	1.3
127.64201	0.5
129.07063	1.6
131.08611	1.7
133.10117	2.7
135.11668	0.8
145.10168	1.0
147.07964	0.5
147.11723	1.6
149.09669	0.8
153.09195	0.6
157.10185	1.1
161.09610	0.6
169.08739	0.5
175.11258	1.0
184.07356	13.7
185.04234	0.6
185.07695	1.1
193.12312	1.8
204.77760	0.6
211.13321	1.0
217.08830	0.5
233.60811	0.6
243.08485	2.7
251.12607	1.3
307.15375	0.7
313.17969	0.7
331.18799	3.1
469.20471	12.1
541.22888	1.2
549.26984	2.1
679.33069	2.4
759.39148	9.0
777.40350	100.0
778.40637	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	777.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
55.05515	3.2
57.03449	2.2
60.08166	3.1
61.02932	4.1
67.05514	7.0
69.03424	2.7
69.07079	2.9
69.15583	2.0
69.16003	2.3
71.04993	1.7
71.07378	0.8
73.02914	3.0
79.05494	5.7
81.03418	3.4
81.07061	5.6
83.04990	1.9
83.08615	2.0
85.02908	5.4
86.09708	14.7
87.10049	1.0
91.03970	2.8
91.05485	4.6
93.07051	5.0
95.04990	2.5
95.08602	2.4
97.02903	3.8
97.06516	0.8
97.10155	1.0
98.21471	0.9
98.98468	1.6
99.04446	1.1
101.02393	1.3
104.10739	1.1
105.07018	3.2
106.93660	0.5
107.04988	1.3
107.08624	3.0
108.08980	0.6
109.02895	1.2
109.06554	0.6
109.10156	2.1
117.07020	1.2
119.08598	2.3
121.10186	1.2
123.08079	1.0
123.49619	0.4
125.00014	8.1
125.09647	1.0
126.00355	0.5
127.03910	1.0
129.07021	1.1
131.08592	1.1
133.10176	1.3
135.08055	0.6
135.11710	1.5
137.09691	0.5
145.10161	2.0
147.11694	1.0
151.11166	0.7
161.13266	0.5
163.11235	0.9
164.14806	0.5
184.07353	42.4
185.04391	0.5
185.07664	3.5
223.13373	1.0
243.08447	2.8
249.11111	0.6
275.20169	0.6
291.19626	1.2
309.42081	0.5
331.18939	0.7
333.20520	0.7
404.24573	0.4
439.19693	0.6
453.21115	0.6
467.18863	3.5
469.20798	4.4
549.26654	1.5
551.28546	3.1
710.44012	1.9
777.40320	100.0
778.40576	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	777.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.5
57.03443	2.3
59.05003	1.0
60.08136	0.4
61.02933	4.8
67.05510	6.8
69.03433	3.2
69.07069	1.1
69.68253	2.5
71.04996	1.7
73.02936	3.5
79.05500	2.1
79.86243	0.4
81.03429	3.2
81.07066	3.8
82.07385	0.4
83.04993	0.6
83.08621	1.7
84.36195	0.5
85.02906	4.8
85.06548	0.7
86.09718	1.7
91.03970	2.4
91.05496	3.2
93.07053	1.9
95.04979	1.1
95.08636	1.7
97.02895	3.6
97.06548	1.1
98.20757	0.8
99.04501	1.0
101.02396	1.8
103.03999	0.5
105.07043	1.6
107.04986	0.6
107.08617	1.4
107.61093	0.4
109.02888	1.0
109.06565	0.7
109.10171	6.2
110.72365	0.4
111.04441	0.5
111.08087	0.9
111.52220	0.5
114.06891	0.4
118.16290	0.4
119.08592	1.3
121.10152	1.1
125.00032	0.7
127.03912	2.2
128.16791	0.4
129.07024	0.9
131.08597	1.7
132.88043	0.5
133.10188	1.1
135.11719	0.5
147.08067	0.5
147.11732	1.2
149.08514	0.5
149.09657	1.8
155.10722	0.9
157.10275	0.7
167.99561	0.4
173.11786	2.2
175.11246	1.1
184.07338	3.9
193.12326	1.4
195.09979	0.8
203.18732	0.5
208.94852	0.4
225.14867	0.9
229.14337	1.3
243.08499	2.0
253.14212	0.4
254.59042	0.5
267.09079	0.6
267.15994	0.9
283.15192	5.1
285.10260	0.6
339.17941	0.7
394.38095	0.6
413.17865	14.8
413.23087	0.9
469.20645	0.5
501.23068	14.7
502.23138	0.5
511.28909	1.0
648.46027	0.5
673.34186	100.0
674.34741	4.8
730.15631	0.5
759.38019	1.0
777.38940	12.1
778.39386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
61.02925	1.2
67.05501	2.0
70.06594	1.5
70.62595	1.5
79.05476	1.3
81.03411	1.4
81.07069	1.5
84.08118	0.7
85.02910	1.4
86.09709	1.3
91.05506	1.9
93.07047	1.5
95.04997	0.8
105.07065	1.0
107.08609	1.1
109.10225	0.7
119.08636	0.7
131.08545	0.7
134.99496	0.7
147.11684	0.7
153.01767	1.8
165.58133	0.7
180.68384	0.8
183.43425	0.7
184.07350	3.6
229.14578	0.9
267.09070	1.6
285.10349	0.8
356.66028	0.6
381.87225	0.7
400.10010	0.7
439.19601	0.8
517.20520	1.0
673.34564	1.0
699.35956	5.6
777.36707	100.0
778.36945	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	776.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.4
55.05267	2.1
55.05513	25.9
57.03439	20.1
57.07067	4.3
58.79949	1.1
65.03931	3.4
67.05510	63.2
69.03421	2.5
69.06728	2.2
69.07072	27.6
69.66643	2.0
69.67049	5.5
70.49368	1.2
71.04994	4.0
71.08624	3.0
78.78193	1.2
79.05496	27.1
81.03422	86.5
81.07060	64.8
83.04977	5.2
83.08147	2.5
83.08624	32.6
85.02931	2.1
85.06579	1.4
85.10197	1.9
86.09723	6.0
89.05967	1.3
91.05484	25.3
92.05808	1.3
93.07045	27.3
95.04977	26.9
95.08610	45.4
97.02894	5.0
97.06548	4.6
97.10161	10.4
98.20782	1.8
99.08080	2.7
100.23283	1.2
105.07030	21.9
107.04955	6.9
107.08600	15.4
109.06521	4.6
109.09472	1.8
109.10168	21.8
110.10549	1.3
111.04500	1.5
111.08094	7.0
111.11723	1.5
115.05504	1.5
117.07017	3.5
119.04879	1.4
119.08584	18.7
121.06496	4.4
121.10146	13.5
123.04403	1.5
123.08057	4.3
123.11697	7.8
125.00050	3.4
125.09650	3.9
129.07002	9.0
131.08560	10.4
133.06512	2.4
133.10143	11.8
135.08089	2.0
135.11697	4.8
137.06032	1.4
137.09608	2.3
137.13264	4.4
139.11162	1.2
141.09114	1.2
142.07793	2.1
143.08585	1.4
145.10129	3.1
146.98305	1.5
147.08064	3.2
147.11708	13.7
149.09663	6.9
149.13223	3.1
157.10126	9.3
159.11696	1.8
161.09656	1.5
161.13306	4.2
163.11212	3.0
163.14760	1.7
165.12810	2.7
171.11685	1.3
175.11197	9.6
175.14876	2.8
177.16386	1.5
184.07329	16.8
185.07767	1.5
189.16322	2.0
193.12260	21.7
211.13351	1.9
227.12823	2.7
245.22639	3.1
249.02220	1.3
249.14902	2.6
263.23734	7.8
267.15921	100.0
268.16388	2.7
270.03952	1.4
273.14883	1.2
303.26956	1.6
309.17136	2.1
325.09442	1.3
337.27383	94.3
337.73117	1.4
338.27725	3.1
435.27084	2.8
437.34000	2.3
455.35242	5.2
473.36597	2.0
529.38922	80.3
530.39142	3.6
547.40009	43.7
548.40375	2.8
561.41333	3.1
571.39929	3.8
637.40564	1.9
673.41840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.1
55.05515	39.8
57.03440	19.1
57.07078	2.2
58.72662	1.1
59.05002	2.3
60.31659	1.0
61.02932	5.3
65.03940	3.9
67.05508	100.0
69.03432	4.0
69.07076	17.3
71.04993	4.1
74.83252	0.9
79.05499	45.2
79.05965	2.2
80.05860	1.1
81.03423	6.4
81.07059	60.4
83.04990	6.9
83.08624	15.3
85.02917	15.0
85.06548	4.0
85.66251	1.0
86.09695	3.1
87.04487	6.4
91.05484	28.0
93.07050	44.6
95.05000	6.1
95.08610	39.7
97.02895	4.7
97.06535	4.4
97.10177	17.0
99.08067	1.2
103.03944	1.9
105.07030	15.6
107.04964	2.3
107.08604	26.9
109.06547	2.4
109.10163	49.7
110.10491	1.3
111.04455	1.1
111.08086	3.0
115.05507	1.1
117.07008	7.3
119.08579	17.4
121.10157	20.4
123.08055	2.7
123.11739	3.5
123.67092	1.0
125.00022	2.0
125.09637	14.4
127.11224	1.5
129.07005	2.6
131.08597	10.6
133.06499	1.4
133.10132	10.8
135.08051	1.3
135.11700	12.3
137.09634	3.4
137.13271	2.0
139.11223	2.1
143.08540	2.2
143.10677	3.6
145.10132	8.6
147.08057	1.5
147.11656	7.6
149.09584	1.9
149.13280	4.3
153.12781	2.2
155.10687	4.3
157.10188	2.2
159.11708	4.9
161.13274	4.3
163.11180	4.1
163.14816	2.5
165.12825	1.0
171.11642	2.0
173.09589	1.0
173.11758	9.5
173.13289	5.0
175.11124	1.4
181.12241	1.5
183.11659	1.7
184.07324	12.0
185.13193	1.6
187.14867	2.4
189.11214	1.4
191.10733	1.5
199.13260	9.2
199.14767	1.2
209.11743	2.2
217.14308	1.4
227.12799	4.1
229.12112	2.6
229.14360	41.9
243.21141	4.1
245.13934	1.8
257.13959	1.4
259.20563	1.5
261.22150	11.0
267.15936	2.4
301.16513	13.2
317.24670	2.1
335.25809	61.5
336.26202	1.9
363.25391	1.9
397.35043	1.2
466.21484	1.8
477.35892	6.9
489.35992	11.4
543.36328	2.2
561.37695	5.0
579.38293	1.3
690.35333	5.2
776.42090	5.3
783.65198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05511	3.8
56.05029	0.9
57.03442	2.4
57.07059	0.5
58.06602	0.6
60.07881	0.5
60.08164	6.2
61.02917	0.5
62.13012	0.3
62.27694	0.3
65.03928	0.9
67.05509	17.5
69.03413	1.1
69.07069	4.7
71.04994	5.2
71.07378	4.2
71.51940	0.5
73.02924	0.5
73.26141	0.4
73.78065	0.3
79.05077	0.6
79.05498	8.2
81.03078	0.3
81.03427	3.4
81.06596	0.6
81.07064	11.3
83.05000	2.3
83.08630	2.3
85.02887	1.5
85.06524	1.0
86.09709	33.6
91.05484	7.8
93.06485	0.6
93.07047	9.7
93.37272	0.3
95.04968	2.3
95.08608	5.3
97.02837	0.7
97.06537	2.8
97.10172	1.5
98.98454	3.6
99.04426	0.4
99.08096	1.0
102.09148	0.3
103.67979	0.3
104.10754	2.7
105.07026	5.1
107.04959	1.4
107.08595	5.5
109.06519	1.1
109.10163	10.3
111.04420	0.4
111.08049	1.1
117.07039	2.5
119.08585	5.1
121.06521	0.9
121.10154	3.1
123.08089	0.5
123.11684	0.4
125.00011	22.0
125.09644	1.6
127.03936	0.8
129.07004	0.8
131.08580	2.0
133.06465	0.4
133.10141	2.7
135.08031	0.8
135.11688	3.5
137.09637	2.2
143.08563	0.9
145.10162	2.6
147.11684	1.2
149.09625	1.5
149.13251	1.3
155.10655	0.5
157.10095	0.6
159.11682	1.5
161.13289	0.6
163.11159	1.3
171.11638	0.5
172.82791	0.3
173.11745	1.3
175.11282	0.4
179.14233	0.4
181.12245	0.7
184.07349	100.0
185.07712	1.5
187.13269	0.4
189.11346	0.5
193.12309	0.5
195.13814	0.3
203.14070	0.4
211.13353	1.1
227.12709	1.9
229.14357	0.9
231.28989	0.3
243.15860	0.7
253.14323	0.8
255.15915	1.6
257.19174	0.6
267.15967	1.2
269.17444	1.1
275.20074	2.8
285.16928	0.9
287.18536	3.9
331.22717	0.4
349.23941	2.1
351.25299	0.6
409.26071	1.0
413.25800	0.5
423.27368	3.5
435.27634	2.1
437.29013	0.9
447.26996	0.4
449.29031	2.8
467.30127	0.7
479.29636	1.1
481.31641	5.5
485.32407	0.8
503.33673	6.2
511.34525	0.4
517.35138	1.0
529.35370	2.6
535.35956	0.4
543.36621	1.3
561.37836	3.2
575.94879	0.4
726.43451	8.7
727.43616	0.7
776.37903	0.4
777.40857	1.8
779.81311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.4
55.05520	4.2
57.03432	3.2
59.90209	0.6
60.08175	0.6
61.02928	4.6
61.25405	0.7
65.03945	0.8
67.05510	12.8
68.05846	1.1
69.03432	3.8
69.07072	6.0
71.01362	0.6
71.04997	2.2
73.02923	4.1
77.15308	0.7
79.05500	11.4
80.05836	1.3
81.03425	6.3
81.07064	11.6
82.07401	0.7
83.04985	2.5
83.08616	2.9
85.02909	4.6
85.06564	1.0
86.09708	2.9
91.03973	2.6
91.05491	11.5
93.07044	10.4
94.07407	0.6
95.04977	4.6
95.08613	6.6
96.08947	1.0
97.02893	4.9
97.06551	2.1
97.10185	0.8
98.20736	1.5
99.04469	0.8
99.08120	0.6
101.02393	2.0
105.04546	0.7
105.07039	8.3
107.04990	2.3
107.08595	4.6
109.06514	1.4
109.10155	3.0
111.04459	0.7
111.08115	1.1
117.07043	2.6
119.08589	4.4
121.06514	1.1
121.10159	3.4
123.08123	1.5
125.00011	1.9
127.03970	1.6
129.07042	1.4
131.08578	2.8
133.10132	3.6
135.08098	0.9
135.11708	3.1
136.12070	0.6
143.08583	1.4
145.10156	2.2
147.11676	3.3
149.09676	0.9
149.13315	1.1
151.11295	0.7
157.10181	0.8
158.30482	0.6
159.11740	1.4
160.12054	0.7
161.13269	1.3
163.11244	1.6
171.11790	1.2
175.11148	0.9
184.07353	7.6
193.12334	1.8
194.12543	1.0
207.13925	0.8
211.13359	2.4
227.12871	0.8
243.08324	3.4
245.65666	0.6
247.13133	1.0
269.17789	0.9
270.17938	0.9
275.20038	0.9
281.17569	0.8
285.17126	1.0
286.17352	0.8
291.19638	1.0
303.15714	0.9
333.20450	1.1
357.32419	0.6
389.23230	0.8
393.24496	0.6
419.12646	0.6
453.21124	0.7
465.21112	11.1
467.19128	1.2
520.33478	1.3
544.37152	1.6
546.34918	1.3
551.28241	4.9
578.37512	0.7
757.38068	0.7
775.42413	100.0
776.42993	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	774.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
56.05035	0.8
57.63298	0.2
58.06372	0.2
58.06629	0.4
60.08167	5.6
67.05513	0.5
69.07089	0.2
71.07375	3.4
79.05490	0.3
81.07070	0.4
86.09709	30.8
87.10000	0.2
91.05473	0.2
95.08645	0.3
98.21629	0.3
98.98470	3.0
104.10755	2.0
105.07037	0.2
107.08608	0.2
109.10290	0.2
125.00011	19.7
159.11610	0.2
159.73042	0.1
179.85284	0.2
184.07349	100.0
185.07713	0.7
186.07756	0.2
329.41626	0.1
496.33795	0.2
756.42529	0.2
756.55420	4.0
757.54755	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	775.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.6
55.05509	3.9
57.03444	3.0
59.78788	0.5
61.02923	4.4
64.89458	0.5
65.03947	0.7
67.05171	1.0
67.05506	10.5
69.03429	3.5
69.07064	3.0
69.25562	3.4
69.25964	0.9
71.04976	1.1
73.02921	3.2
78.53417	0.5
79.05501	9.2
80.05805	0.7
81.03424	2.4
81.07062	10.3
82.07366	0.6
83.04984	2.0
83.08622	1.9
85.02905	4.6
85.06567	0.7
91.03966	2.7
91.05475	6.4
92.05809	1.3
93.07049	8.5
94.07397	0.6
95.04982	2.1
95.08614	4.3
97.02897	3.5
97.06528	1.7
97.10210	1.0
98.45592	0.5
99.04507	0.7
101.02404	1.8
103.34036	0.6
105.07047	4.9
107.04980	1.0
107.08606	4.8
108.08971	0.6
109.06566	1.1
109.10175	2.2
111.08157	0.8
116.88303	0.6
117.07037	2.3
119.08589	2.7
121.06514	0.8
121.10150	1.8
123.08108	0.9
127.03942	1.1
129.07031	1.0
131.08592	1.8
133.10120	2.7
135.11725	1.9
137.09579	0.6
145.10170	1.6
147.11711	2.9
149.13277	1.7
151.11214	0.6
159.11726	1.4
161.13263	0.9
163.11314	0.6
171.11734	0.9
184.07341	1.4
195.13821	0.7
198.15700	0.6
241.06841	0.5
243.08395	3.6
247.13086	1.6
269.17615	2.0
275.20148	0.8
290.41824	0.7
333.20438	1.3
340.52911	0.6
348.01230	0.6
350.24033	0.7
404.57608	0.5
453.21039	1.6
465.20987	8.3
544.37213	1.2
551.28522	4.4
573.91577	0.6
775.42358	100.0
776.42596	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	774.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.4
55.05514	20.3
57.03201	1.7
57.03445	21.3
57.07074	2.7
64.08076	1.8
65.03940	2.6
67.05510	73.4
69.03439	3.3
69.07076	16.6
71.04980	6.5
79.05084	3.7
79.05504	45.0
79.05963	2.4
81.03425	100.0
81.07064	73.7
83.04974	5.7
83.08627	26.4
85.06530	3.9
91.05482	40.7
93.07059	49.0
95.04984	35.5
95.08617	48.9
97.02873	2.6
97.06517	5.2
97.10171	8.2
105.07038	34.8
107.04974	9.2
107.08604	28.8
109.06525	6.8
109.10175	18.3
111.08069	8.3
115.05454	3.0
117.07058	9.3
119.04967	1.8
119.08594	28.2
120.83150	1.8
121.06524	4.4
121.10151	25.9
123.04480	2.0
123.08051	4.7
123.11700	8.2
125.09634	5.6
129.06168	1.9
129.06972	10.2
131.08586	17.9
133.06496	3.1
133.10158	15.2
135.11722	13.8
137.09659	1.9
137.13234	1.8
139.59343	1.7
142.07741	2.9
143.08507	2.7
145.10130	11.2
147.08093	4.2
147.11719	16.8
149.09613	5.3
149.13303	8.3
155.08577	2.3
157.10141	15.2
159.11674	9.0
161.13297	6.2
163.11137	2.1
163.14838	3.7
165.12650	2.9
170.95938	1.8
171.11732	3.7
173.13264	8.8
175.11215	9.2
175.14764	2.5
177.12764	2.5
177.16414	2.9
183.11832	1.7
184.07333	3.7
185.13266	1.9
187.14832	3.4
189.11246	3.8
193.12268	21.0
211.13246	2.4
220.19191	1.8
227.12785	8.1
235.13293	1.8
243.21082	4.8
249.14914	2.4
253.47665	2.1
261.22192	21.7
267.15930	91.8
268.16174	2.7
279.23071	2.9
299.23938	1.8
301.25284	5.7
302.81659	1.9
309.16870	2.9
317.24689	3.2
335.25821	84.6
336.26117	4.1
435.27148	2.3
435.32642	3.3
453.33633	8.7
471.34753	3.4
509.36063	2.3
527.37408	50.6
528.37280	3.8
545.38531	38.2
559.39685	2.9
712.35590	1.9
724.33221	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	774.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.8
55.05516	25.3
57.03456	13.1
57.07076	2.5
60.08195	2.8
61.02930	5.0
65.03956	3.9
67.05513	81.8
69.03433	8.1
69.07082	18.4
71.04995	35.4
74.45177	2.5
76.55436	2.6
79.05505	54.7
81.03423	9.5
81.07066	100.0
83.04990	6.6
83.08618	16.2
85.02898	5.6
85.06567	6.8
86.09711	12.2
87.04482	3.3
91.03949	2.4
91.05488	73.4
91.06022	4.4
93.07052	51.9
93.07642	3.0
94.18735	2.4
95.04976	7.5
95.08607	39.2
97.02901	5.2
97.06557	8.2
97.10184	8.2
98.21530	6.2
98.98470	2.7
105.04466	2.2
105.07047	57.3
107.04971	3.5
107.08610	34.8
109.10152	16.5
111.08089	2.7
117.07029	20.8
119.08601	39.4
121.06539	2.0
121.10147	22.4
121.60040	2.2
123.08083	4.4
123.11720	7.6
125.00013	10.0
125.09634	7.5
127.03955	3.1
129.07033	9.2
131.08577	27.8
133.10149	38.9
135.11697	18.9
136.12035	2.5
138.39737	2.3
141.07071	2.6
143.08566	9.4
145.10123	20.2
147.11716	22.2
149.09669	4.0
149.13266	9.2
151.11224	9.2
157.10150	11.7
159.11731	19.5
161.13303	12.7
163.11189	4.5
169.10121	5.5
171.11710	13.2
173.04617	2.1
173.11911	2.4
173.13290	9.6
175.14925	6.5
177.12802	3.6
183.11690	5.4
184.07364	43.6
185.13309	8.0
187.13309	3.0
187.14905	4.1
193.12193	3.2
195.13876	4.4
197.13278	4.1
199.14844	4.8
204.56181	2.2
227.16690	2.4
229.86166	2.7
241.19556	7.9
243.15990	3.9
257.17343	4.3
259.20688	23.9
261.22269	3.1
267.15912	3.6
269.17517	7.9
301.20074	20.6
315.23306	7.2
317.15887	3.1
333.24225	22.6
335.25714	6.1
349.23813	3.8
409.30920	6.2
435.32367	4.3
483.34738	3.9
501.35721	61.5
509.35895	3.1
527.37305	42.5
533.38367	6.9
543.36859	4.8
545.38397	9.1
559.40271	14.3
641.57703	2.4
774.41260	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	774.4997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
55.05267	2.1
55.05513	22.4
57.03435	21.4
60.73864	1.6
65.03944	3.7
67.05511	69.0
69.03430	2.5
69.07082	17.0
69.81838	3.6
69.82248	6.3
71.04991	3.5
79.05499	45.3
81.03426	100.0
81.06587	3.6
81.07061	61.4
83.04979	5.1
83.08621	20.9
85.02895	1.8
85.06534	2.8
87.95253	1.7
89.98808	1.7
91.05489	41.5
93.07053	46.2
95.04977	26.9
95.08064	3.3
95.08614	47.0
97.02899	3.6
97.06525	5.5
97.10178	7.5
105.06386	2.6
105.07039	26.1
107.04967	9.0
107.08613	25.4
109.06529	6.9
109.10169	18.3
111.08099	8.3
115.78183	1.8
117.07025	7.6
119.04948	3.1
119.08594	25.1
121.06554	2.5
121.10161	23.6
123.04427	3.0
123.08113	3.6
123.11678	8.3
124.74171	1.7
125.09642	2.5
129.07014	10.1
131.08585	19.8
133.06511	3.4
133.10144	15.3
135.08096	1.8
135.11694	11.0
137.09645	4.3
142.07797	4.5
143.08501	2.3
145.10167	8.6
147.08075	4.3
147.11664	14.1
149.09636	6.8
149.13266	7.0
157.10126	11.4
159.11719	5.9
161.13231	6.7
163.11198	4.9
163.14836	2.8
165.12865	2.5
173.13298	5.8
175.11232	10.2
177.16422	2.3
181.10141	1.9
184.07352	6.0
185.13297	2.3
189.11232	2.8
193.12279	24.1
201.16495	2.3
221.15317	2.0
227.12894	9.5
243.21098	5.2
249.14838	2.8
261.22165	12.8
267.15936	94.6
301.25223	8.3
309.17169	2.1
335.25842	75.6
379.56485	1.6
400.87726	1.8
417.31421	2.4
430.92297	1.8
435.27161	2.7
435.32593	4.0
453.33844	9.6
471.34619	4.0
509.36304	2.3
527.37408	55.1
528.37524	3.1
545.38354	41.5
635.39502	2.4
657.39722	1.8
730.60468	1.8
746.48737	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	774.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	10.9
55.05265	2.6
55.05515	31.5
57.03439	19.2
57.07079	2.3
61.02924	6.3
65.03939	6.6
67.05508	91.1
68.05829	1.9
69.03427	12.8
69.07074	42.0
71.04993	8.4
73.02929	2.5
77.03953	1.6
79.05497	57.7
81.03428	18.4
81.07057	100.0
82.07384	1.5
83.04978	12.0
83.08619	20.6
85.02904	8.6
85.06547	4.0
86.09716	3.2
89.62005	1.5
91.03979	2.2
91.05488	59.5
93.07045	63.2
95.04984	14.9
95.08612	43.9
97.02920	7.8
97.06541	15.2
97.10186	7.1
99.04460	1.8
99.08100	4.2
101.02274	1.5
105.07028	31.4
106.27627	1.4
107.04966	8.4
107.08597	38.2
109.02860	2.0
109.06524	6.2
109.10161	27.3
111.04446	5.0
111.08088	9.7
117.07006	14.4
119.08583	21.6
121.06516	4.8
121.10151	15.2
123.08075	7.5
123.11716	7.8
125.00069	2.1
125.09662	5.9
127.03931	5.1
129.05501	6.3
129.07004	4.8
131.08568	16.6
133.10133	29.3
135.08060	5.1
135.11681	16.7
137.09598	9.4
139.07449	1.5
143.08601	4.1
145.10136	7.7
147.08070	3.0
147.11726	9.4
149.09642	12.4
149.13255	19.4
151.11235	4.3
157.10110	6.0
159.11717	12.4
161.09665	2.6
161.13309	2.2
163.11148	4.0
165.12837	3.2
169.10144	2.1
171.11766	2.3
173.04582	2.6
173.11732	4.4
173.13190	2.4
175.11211	3.5
177.12773	5.6
179.14345	2.1
181.12294	2.1
184.07343	7.5
185.13322	2.4
189.11197	2.0
193.12306	3.3
195.13817	16.9
211.13210	1.9
213.14806	2.1
227.12820	3.8
229.14357	5.4
243.16020	3.5
253.14323	3.8
255.15930	5.5
267.15897	5.9
269.17496	55.8
273.18457	3.2
275.20078	12.7
285.16907	4.2
291.19562	7.1
349.23779	18.5
365.23318	5.2
373.18375	2.3
420.28891	2.8
423.27423	14.9
437.29214	8.8
447.31036	2.8
449.29022	4.3
463.30768	3.3
479.29883	3.9
493.84094	1.8
541.73193	1.7
543.36926	18.9
559.36108	1.7
560.52734	1.7
561.37860	3.2
577.37164	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	774.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	10.5
55.05512	29.9
57.03185	1.9
57.03442	16.9
57.07070	5.1
59.20410	1.6
61.02933	6.8
65.03935	4.4
67.05507	100.0
68.05843	1.7
69.03432	13.7
69.07068	23.8
69.58555	3.2
69.58963	5.4
71.01351	5.2
71.04993	20.8
73.02923	3.8
79.05497	62.1
80.05837	2.6
81.03429	19.7
81.07059	99.0
82.07384	2.0
83.04989	16.3
83.08621	17.6
85.02900	8.9
85.06542	10.4
86.09702	4.1
91.03967	1.4
91.05485	60.6
93.07048	65.7
94.07378	1.7
95.04977	14.2
95.08609	38.4
97.02901	8.8
97.06525	12.8
97.10171	5.0
99.04464	3.4
99.08108	3.9
101.02421	1.9
103.05469	2.1
105.04534	2.9
105.07031	35.6
107.04956	8.2
107.08597	46.4
109.02866	2.8
109.06520	7.6
109.10165	36.3
111.04459	4.7
111.08057	8.7
115.05468	3.6
117.07014	12.6
119.08585	22.6
121.06508	6.0
121.10149	14.8
123.08073	11.1
123.10933	1.4
123.11696	8.2
124.99997	2.0
125.09613	3.3
127.03910	4.5
127.07545	2.3
129.05499	8.4
129.06992	3.9
131.08546	16.8
133.06488	3.0
133.10138	41.1
135.08052	6.1
135.11702	24.5
137.09676	7.3
141.07008	1.9
143.08572	5.1
145.10118	12.7
147.08044	3.9
147.11708	9.2
149.09587	6.8
149.13309	12.3
151.11189	16.4
155.08562	2.2
155.10692	3.1
157.10094	3.1
159.11699	9.0
161.09647	4.3
161.13263	1.9
163.11249	6.9
165.12767	2.2
169.10135	2.9
169.12224	4.3
171.11646	3.0
173.04495	2.5
173.11726	1.4
175.11264	3.4
177.09096	1.6
177.12694	3.6
179.14291	1.8
181.12218	4.4
183.11734	1.9
184.07341	15.3
184.08839	2.0
185.11731	2.9
185.13213	2.2
187.13231	3.9
187.14821	1.8
189.16432	1.3
191.10667	1.4
193.12271	3.4
195.13780	9.9
197.11760	2.1
198.67989	1.4
211.13286	3.5
219.17595	1.4
227.12761	5.4
229.14352	1.7
233.15195	1.6
239.16281	3.1
243.15974	8.7
253.14371	39.5
254.14897	2.7
255.15898	13.1
261.22177	2.1
267.15955	3.6
269.14600	2.0
269.17496	31.2
273.18524	7.5
275.20099	3.9
283.15366	5.2
285.16931	4.4
287.18503	8.7
291.19522	9.0
295.19211	1.6
301.16458	2.5
347.22141	3.3
349.23828	3.3
351.25018	2.7
365.23270	7.9
407.24316	2.4
420.28714	6.8
437.29187	10.2
439.26984	10.4
449.28845	8.5
461.28934	1.6
465.28207	2.2
477.29865	1.6
479.30078	5.0
483.29761	3.5
487.30200	1.4
501.32172	5.4
519.33234	27.0
527.33801	2.5
533.34839	4.2
545.34845	7.7
559.36279	4.3
577.37384	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	774.4636
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57186	2.6
55.01881	11.1
55.05515	31.5
56.11250	2.5
57.03446	21.7
57.40653	2.0
61.02916	2.8
62.74067	2.0
65.03936	3.8
67.05508	78.2
69.03428	8.9
69.06720	3.3
69.07066	30.6
70.02152	9.3
71.04992	9.8
79.05497	67.8
81.03423	75.5
81.07060	91.3
81.07533	4.9
83.04987	26.9
83.08624	34.2
85.02431	3.2
85.02906	34.6
85.06561	4.2
86.09714	3.8
91.05486	70.0
93.07047	67.6
95.04968	38.2
95.08614	33.8
97.02895	6.7
97.06552	18.0
97.10175	5.4
99.08121	5.2
105.04537	3.6
105.07032	56.8
105.07692	4.0
107.04980	16.1
107.08597	37.6
109.02923	2.4
109.06544	11.0
109.10176	10.1
111.08103	16.9
113.05996	3.9
113.61070	2.0
115.05448	3.0
117.07012	18.0
119.08585	37.7
121.06483	4.9
121.10146	19.2
123.08083	4.1
123.11729	3.2
124.99973	2.7
125.09615	4.7
129.07013	18.5
131.08585	33.3
133.06563	2.6
133.10143	34.0
135.08057	6.5
135.11705	17.4
137.09608	3.9
141.07103	2.7
142.07768	4.0
143.08543	5.2
145.06558	2.8
145.10115	14.7
147.08067	4.3
147.11702	25.0
149.09633	18.7
149.13290	14.0
151.11151	2.6
157.10153	17.8
159.11700	14.9
161.09686	3.1
163.11182	9.1
165.12706	3.4
169.10100	5.9
171.11703	2.8
173.04480	3.4
173.13211	5.3
175.11226	16.8
177.12738	3.8
184.07368	6.8
193.12262	56.6
195.13817	9.9
211.13298	81.9
227.12764	3.0
229.19629	3.2
239.17978	4.8
255.15918	13.3
257.19022	7.1
267.15894	38.3
269.17526	52.0
275.20105	30.9
275.99255	2.1
285.16977	81.2
322.65808	2.3
349.23724	28.1
367.24918	5.4
369.24121	2.8
447.27582	10.7
461.29019	44.6
465.28574	23.7
467.31406	2.8
479.30072	100.0
480.30328	5.3
541.34937	9.5
559.36389	23.5
577.37036	4.6
623.34216	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	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	11.9
55.05510	40.1
57.03445	27.4
57.07074	3.0
59.87373	2.8
61.02925	4.9
65.03938	5.4
67.05508	87.0
69.03426	14.1
69.07075	38.9
69.47167	18.2
71.04979	9.9
79.05500	89.6
81.03423	96.2
81.06598	5.0
81.07064	100.0
83.04994	26.6
83.08625	40.3
85.02908	36.4
85.06506	5.4
91.05484	87.9
93.07047	69.8
95.04971	38.7
95.08616	33.5
97.02887	9.4
97.06523	20.9
97.10180	16.3
99.08104	3.0
105.07034	65.8
107.04978	16.6
107.08601	47.8
109.06499	11.1
109.10163	15.1
111.04443	3.0
111.08100	15.5
113.05994	4.7
115.05527	2.6
117.07024	19.8
119.08584	40.4
121.06482	4.1
121.10144	29.9
123.08076	7.4
123.11699	7.7
125.09630	9.7
127.03944	5.4
128.06239	3.8
129.07011	21.6
131.08569	30.7
131.44075	2.7
133.06476	4.1
133.10130	33.2
135.08070	5.4
135.11732	17.8
137.09546	5.7
142.07784	5.9
143.08556	7.0
145.10124	23.9
145.79704	2.7
147.08066	3.4
147.11705	30.8
149.09624	25.1
149.13251	12.0
157.10152	23.9
159.11737	16.4
161.09596	3.3
163.11119	9.7
165.12766	6.7
171.11717	4.2
173.04491	3.6
173.13222	4.9
175.11211	21.5
177.12593	3.7
189.11215	7.4
193.12256	65.2
195.13777	4.6
197.13251	3.6
211.13287	97.1
227.12776	14.9
239.17918	3.6
255.15959	9.4
257.19012	11.5
267.15948	47.9
269.17529	29.9
275.20087	44.3
285.16968	94.0
286.17279	4.0
294.12350	3.0
331.22620	4.0
349.23682	35.2
367.25092	4.3
443.27789	4.3
447.27264	15.0
461.29092	31.1
465.28510	20.3
479.30084	90.4
479.36996	5.2
480.30124	5.6
541.35321	16.5
559.28424	4.6
559.36255	49.1
577.37140	6.0
623.34583	3.3
713.24908	3.1
744.76221	3.5
759.70508	2.8
775.79767	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	773.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.9
55.05518	34.6
55.26304	2.7
57.03437	13.9
57.07069	8.5
57.27061	2.5
61.02934	18.4
65.03946	5.5
67.05505	90.3
69.03432	13.9
69.06733	3.0
69.07070	32.5
69.28016	5.4
69.28410	24.4
71.04984	8.1
73.02914	10.4
77.07323	2.5
78.34966	2.7
79.05495	72.7
81.03407	12.2
81.06597	4.7
81.07058	85.7
83.05012	3.4
83.08620	17.6
85.02915	15.7
85.06527	4.2
85.10149	2.5
86.09692	9.2
86.56722	2.9
91.03952	9.8
91.04912	3.6
91.05481	66.2
93.07047	83.6
95.04947	10.1
95.08611	67.4
97.02934	17.0
97.06512	6.3
97.10168	7.6
98.20708	5.4
99.08074	3.0
101.02354	3.1
103.05465	3.5
105.07040	59.1
107.08591	43.0
109.02905	4.0
109.06509	6.1
109.10146	28.9
111.08085	5.9
113.09631	2.9
115.05471	3.7
115.45478	2.9
117.07026	25.7
119.08585	53.7
121.10156	36.3
123.08022	3.7
123.11683	7.1
125.00023	5.1
125.09663	3.0
127.03929	3.3
128.06230	3.2
129.06967	15.0
131.08568	44.5
133.06496	3.3
133.10129	49.0
135.11707	21.5
135.30209	2.5
137.09615	4.1
141.07024	3.5
142.07767	4.5
143.08557	24.0
145.10107	40.5
147.08002	4.7
147.11700	35.9
149.09627	3.1
149.13287	15.0
155.08559	10.8
157.08994	3.1
157.10109	19.4
159.08104	3.1
159.11699	28.9
161.13268	25.4
163.11253	3.3
163.14842	4.5
167.08647	3.2
169.10115	9.5
171.11703	24.5
173.13248	18.1
175.14828	16.3
177.16383	3.4
181.10080	6.3
183.11670	12.3
184.07349	40.5
185.07657	3.1
185.13225	14.6
187.14790	8.6
189.16380	3.3
197.13225	8.5
197.14966	3.4
199.14774	9.9
201.16452	5.4
211.14851	7.2
213.16359	9.1
223.14851	4.4
225.16350	4.0
227.17838	3.4
231.21057	3.6
241.19525	20.9
243.21193	4.2
257.19034	7.7
259.20596	39.0
260.11612	2.8
261.22171	9.2
271.20670	3.8
275.20074	5.1
301.21616	4.1
315.23114	4.4
331.22549	3.1
333.24326	26.9
335.25821	50.2
367.22757	4.1
413.18005	3.9
497.30560	2.9
519.41748	9.7
593.45251	9.0
609.44775	5.7
611.46722	100.0
612.46637	6.1
669.41754	30.5
701.46698	6.4
719.48566	5.3
729.42853	2.6
737.49359	6.5
755.50519	6.1
773.50842	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	773.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	36.4
57.03441	16.0
57.07069	9.7
60.05180	3.0
60.50227	2.6
61.02909	13.3
65.03925	5.5
67.05510	97.5
69.03424	11.0
69.06734	3.3
69.07071	31.9
71.01344	4.3
71.04982	8.8
73.02907	10.5
78.16637	2.9
79.05495	74.1
81.03408	8.4
81.07062	80.8
82.07390	4.0
83.04980	3.9
83.08624	15.3
85.02927	18.3
85.06536	5.5
86.09696	3.4
91.02969	3.2
91.03975	6.5
91.05487	77.0
93.07048	75.5
95.04975	12.6
95.08614	73.1
97.02887	10.2
97.06539	9.1
97.10165	7.2
98.06046	3.2
98.98449	3.8
99.08097	5.2
101.02387	3.1
105.04517	3.7
105.07039	63.3
107.08601	38.6
109.06491	5.0
109.10149	27.2
115.05474	2.9
117.07049	20.6
119.08590	58.6
119.33176	2.9
121.06596	3.3
121.10162	37.7
123.08062	3.3
123.11670	5.3
127.03939	3.1
128.06245	3.6
129.07013	19.8
131.08589	39.2
133.10161	41.2
135.08025	3.4
135.11734	16.3
137.09647	4.4
141.06995	6.6
143.08578	21.3
143.09526	3.6
145.10130	32.7
147.11699	32.9
149.09673	5.7
149.13274	13.3
155.08557	9.5
157.09021	3.5
157.10156	17.0
159.11707	31.3
161.13264	23.9
163.14775	4.2
169.10133	9.0
171.11716	19.8
173.13260	21.4
175.14784	9.8
181.10126	9.7
183.11664	7.5
184.07393	14.1
185.13235	14.4
187.11111	3.2
187.14859	12.2
195.11679	7.9
197.13200	8.2
199.14861	6.0
201.16370	5.8
209.13264	4.0
211.14764	4.8
213.16374	6.7
223.14705	3.7
227.18050	5.2
231.21017	4.4
241.19547	25.5
257.19019	4.9
259.20587	38.8
261.22192	10.2
304.26434	3.0
315.23392	4.2
322.27451	15.6
323.27731	12.9
333.24286	26.3
335.25858	60.3
336.26218	7.0
337.27402	4.8
367.22543	4.8
519.42285	4.9
593.45526	8.8
601.44250	6.3
611.46765	100.0
612.46552	7.4
623.46539	4.3
627.17365	3.3
675.54187	5.6
676.37500	3.2
677.47723	3.4
719.48682	5.2
737.49207	5.6
748.14374	3.7
755.50983	5.4
773.51801	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	773.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05513	3.5
57.03452	2.9
57.48917	0.4
61.02931	4.7
65.03940	0.6
67.05510	10.4
68.05829	0.8
69.03425	3.7
69.07073	3.2
69.38448	2.9
69.38857	1.0
71.01350	0.6
71.04977	1.3
72.18707	0.5
73.02925	4.4
79.05503	10.1
80.05834	0.5
81.03429	5.0
81.07058	10.2
82.07412	0.6
83.04991	1.9
83.08629	2.3
85.02909	3.8
85.06555	0.9
86.09702	1.1
91.03979	1.8
91.05489	10.0
92.05812	1.2
93.07053	8.1
94.07383	1.3
95.04984	3.2
95.08611	6.1
97.02906	5.1
97.06550	1.8
97.10191	0.7
99.04472	0.7
101.02391	1.5
105.07043	5.6
107.04976	1.4
107.08602	4.6
109.02880	0.8
109.06528	1.5
109.10167	3.8
117.07017	2.6
119.08604	5.4
121.06519	1.1
121.10181	1.9
123.08073	1.3
123.11768	0.7
125.00037	0.7
127.03949	1.4
129.07022	2.2
131.08563	2.2
133.06470	0.8
133.10139	3.9
135.08055	1.3
135.11726	1.5
143.08586	1.5
145.10147	1.8
147.08113	0.8
147.11726	2.1
149.09616	0.8
149.13219	0.7
151.11189	0.7
153.01831	1.1
157.10181	0.7
159.11725	0.7
161.09679	0.8
161.13358	0.7
163.11244	0.6
171.11726	1.5
172.91400	0.5
175.11243	0.7
184.07304	2.6
185.04239	0.8
193.12286	1.1
235.24323	0.5
242.96005	0.6
243.08414	2.7
247.13135	1.4
281.17636	0.6
299.15067	2.0
303.15826	0.7
313.17767	1.0
331.18832	2.0
335.25677	2.5
451.19525	1.1
465.20984	12.9
531.25580	2.4
537.22961	0.6
544.37317	1.1
549.26459	3.9
559.36475	1.5
675.33569	3.7
704.33936	0.7
755.39905	12.8
756.39594	1.5
773.40845	100.0
774.41321	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	772.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.4
56.05036	0.9
57.07086	0.2
58.06334	0.3
58.06638	0.5
58.12435	0.1
59.07391	0.2
60.08166	6.9
67.05507	0.4
69.07074	0.4
70.06564	0.1
71.07375	3.9
71.08637	0.2
79.05505	0.2
81.07066	0.5
83.08671	0.2
84.08150	0.2
85.07706	0.2
86.09709	34.2
87.10049	0.2
91.05474	0.3
93.07055	0.4
95.08623	0.4
97.10165	0.1
98.06066	0.3
98.21615	0.3
98.98473	4.5
104.10754	2.3
105.07050	0.2
107.08625	0.2
109.10169	0.2
119.08595	0.1
121.10219	0.2
125.00009	23.7
143.01041	0.1
143.13463	0.1
184.07346	100.0
185.07727	0.7
200.40672	0.1
306.27936	0.8
308.29477	1.2
311.54904	0.1
322.27139	0.1
337.27319	0.2
436.24649	0.2
449.50226	0.2
475.17090	0.1
475.54462	0.1
496.33667	0.2
754.53790	3.5
755.53357	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	772.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.5
55.05516	18.7
57.01680	0.8
57.03441	14.8
57.07063	2.7
59.04998	2.8
60.08158	2.3
60.14775	0.9
61.02925	2.5
62.18460	0.9
65.03947	2.6
67.05508	59.2
68.05831	1.4
69.03430	2.4
69.07073	17.4
71.01354	3.2
71.05002	6.4
71.07368	1.8
73.02921	1.6
79.01836	1.0
79.05496	47.6
81.03421	22.9
81.03865	1.8
81.07059	55.1
83.01355	2.3
83.04988	12.9
83.08621	10.5
85.02908	7.1
85.06537	3.5
86.09713	13.5
91.05483	33.1
93.07048	52.8
94.07394	1.1
95.04976	11.9
95.08612	45.3
97.02897	10.4
97.06525	9.4
97.10181	3.7
98.98476	1.1
99.04447	1.5
99.08099	1.1
103.05453	1.2
104.10762	1.2
105.04516	1.9
105.07034	19.2
106.65643	0.9
107.04957	15.0
107.08597	28.0
109.02882	1.8
109.06518	7.3
109.10160	14.8
111.04450	20.7
111.08105	4.6
113.06002	1.6
115.05373	1.1
117.07018	12.4
119.08590	19.5
121.06523	6.2
121.10155	22.1
123.08091	6.4
123.11704	3.8
125.00017	8.2
125.06001	6.4
125.09630	2.9
129.07025	3.6
130.07755	1.3
131.04970	1.3
131.08580	14.8
133.10130	8.3
135.08046	4.0
135.11700	17.5
137.09589	3.2
137.13295	2.2
143.08559	3.1
145.06496	1.2
145.10129	22.1
147.08026	3.5
147.11656	4.9
149.09717	2.1
149.13264	4.7
151.11002	0.9
153.01826	6.0
153.09294	1.0
153.12740	7.3
154.02206	2.2
155.08560	2.8
159.11658	4.6
161.09688	1.4
161.13120	4.5
161.66357	0.9
163.11189	24.3
163.14821	2.3
169.10185	1.0
172.67873	1.2
173.09656	6.1
173.11873	1.0
173.13272	3.1
175.11078	1.0
175.14848	2.4
176.20016	1.2
177.12891	1.6
181.12306	4.5
184.07362	42.3
185.13185	1.6
187.14819	2.6
189.11208	1.1
191.10687	7.6
196.64270	1.0
199.14996	1.2
201.16487	1.0
209.11682	11.1
223.13283	16.5
227.12781	8.4
241.14384	26.6
241.19557	1.5
243.21059	3.3
247.13177	1.1
259.20703	1.6
261.22183	8.4
265.14441	6.1
267.15964	1.7
283.15411	15.8
297.17026	1.7
299.23721	2.1
315.18033	41.5
317.24680	2.4
333.24249	1.3
335.25815	100.0
336.25876	2.3
433.31082	2.7
451.31909	2.3
469.32971	1.3
515.37097	1.3
525.36017	10.4
543.36841	63.7
544.36835	4.7
575.39465	85.1
576.39850	5.3
610.45026	2.8
754.53955	1.7
772.51520	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	9.5
55.05513	23.5
57.03439	17.6
57.07060	2.1
59.05011	3.8
60.08158	6.0
61.02923	5.1
65.03938	3.9
67.05507	68.3
69.03421	4.0
69.07078	18.9
70.40688	1.2
70.68016	2.7
70.68336	2.2
71.01351	4.2
71.04992	5.5
71.07385	2.9
73.02920	1.8
79.05495	61.9
81.02928	1.6
81.03423	30.4
81.07058	62.7
83.01350	2.8
83.04975	13.7
83.08633	12.5
85.02900	10.0
85.06557	4.0
86.09708	36.8
91.03945	3.9
91.05486	32.3
93.07048	62.0
94.07404	2.2
95.04975	13.6
95.08615	44.9
97.02895	11.7
97.06530	9.9
97.10180	6.2
98.98475	3.0
99.04458	2.6
99.08121	2.5
104.10806	2.8
104.82697	1.6
105.04531	1.7
105.07040	24.8
107.04963	16.5
107.08599	31.1
109.06521	9.3
109.10162	18.9
111.04445	26.9
111.08076	4.9
115.05532	1.5
117.07040	13.3
119.08581	23.8
121.06508	8.1
121.10155	31.5
121.11027	2.0
123.08095	8.3
123.11726	3.5
125.00010	22.6
125.06013	7.0
125.09644	4.8
129.07016	4.6
130.07796	3.1
131.08592	17.0
133.10153	11.7
135.08087	3.3
135.11710	22.8
137.09637	4.3
139.95396	1.4
143.08591	2.8
145.06506	2.8
145.10129	28.5
147.08043	4.9
147.11678	5.5
149.09627	3.3
149.13272	5.9
153.01814	8.7
153.02882	1.6
153.12761	6.8
155.08620	3.2
157.10115	3.6
159.11705	5.3
161.13266	3.2
163.11191	34.5
163.14864	2.8
169.10075	1.9
171.11739	2.5
173.09656	10.7
173.13303	4.2
175.14838	2.0
177.12718	2.2
181.12273	6.0
183.11664	2.8
184.07347	100.0
187.14796	2.8
188.15001	1.5
189.11247	2.6
191.10648	10.8
197.13278	2.3
199.14894	2.0
209.11717	15.7
223.13283	22.2
227.12790	14.7
241.14349	41.7
243.21066	3.4
259.15512	1.9
261.22125	10.0
265.14359	3.4
267.15851	1.8
283.15347	19.6
299.23740	3.6
315.18057	60.5
317.24811	3.3
335.25809	81.3
336.26321	3.1
365.39963	1.7
433.30878	3.1
451.32025	4.4
469.33203	3.5
525.35980	11.4
543.36835	64.3
544.36908	3.6
561.38135	2.5
575.39429	59.2
576.39471	3.4
609.45081	2.2
610.45483	10.3
754.52618	2.8
772.52991	2.3
779.42120	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	772.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	11.5
55.05515	25.9
57.03445	14.8
58.06584	3.6
58.74386	1.8
59.04988	3.0
59.88450	1.5
61.02922	5.3
65.03933	3.0
67.05509	55.3
69.03434	8.4
69.07077	20.3
69.23997	15.8
71.04993	6.9
72.04521	2.7
79.05499	55.4
81.03429	29.2
81.07063	69.8
83.01343	5.4
83.04995	17.3
83.08622	20.9
85.02915	11.8
85.06580	3.9
86.06073	3.5
91.03965	2.3
91.05486	48.3
93.06487	3.5
93.07051	52.6
95.04981	18.6
95.08612	24.1
97.02895	6.6
97.06544	17.7
97.10158	6.4
98.21577	3.2
99.04451	2.5
99.07992	2.0
103.05482	1.9
103.87412	1.6
105.07038	38.0
107.04971	13.8
107.08597	35.3
109.06525	7.5
109.10168	15.7
111.04426	3.1
111.08071	7.2
117.07016	17.8
119.08595	24.2
121.06511	9.2
121.10160	20.3
123.08088	7.8
123.11715	3.2
125.09597	4.0
127.03918	1.9
129.05466	2.0
129.07013	8.9
130.07762	3.3
131.08582	17.2
133.06499	2.7
133.09232	2.9
133.10141	26.3
135.08012	4.0
135.11699	18.7
137.09625	3.8
143.08556	5.0
145.06544	1.7
145.10118	21.0
147.08069	3.0
147.11700	7.2
149.09610	11.9
149.13254	6.9
151.11195	9.2
153.01900	3.8
153.12709	2.1
155.08577	4.1
157.10168	6.7
159.11710	7.5
161.13220	2.6
163.11186	21.8
169.10297	1.9
169.12192	1.8
171.11652	2.6
173.09648	4.7
173.13248	2.6
175.11209	4.9
177.12770	3.2
179.14368	1.8
181.12288	5.2
184.07384	4.9
191.10664	2.4
193.12268	12.0
195.13832	5.0
197.13187	1.8
209.11752	6.0
211.13347	17.7
227.12828	9.2
253.14374	12.0
255.15894	5.6
257.18945	5.0
265.14276	2.2
267.15955	8.6
269.17462	28.3
273.18491	6.4
275.20123	16.3
283.15433	60.0
285.16992	12.7
291.19589	11.3
309.20627	2.2
349.23770	12.2
365.23224	11.6
459.27466	4.0
463.26874	26.8
477.28488	100.0
478.29138	3.5
481.27634	4.4
539.33667	4.0
557.34613	21.7
575.35828	20.3
610.42877	3.7
621.32312	2.2
648.20917	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	21.3
55.05516	52.7
57.03439	32.1
57.07083	4.5
59.04996	4.3
60.87931	2.6
61.02919	9.9
67.05509	90.7
67.34268	2.6
69.03449	16.0
69.07068	47.8
69.77193	12.1
69.77599	4.4
71.04992	10.0
73.02909	2.6
75.30244	2.6
79.05495	92.8
81.03421	65.8
81.06586	5.6
81.07062	100.0
81.31051	3.1
83.01334	9.1
83.04988	33.7
83.08613	37.6
85.02907	26.2
85.06528	4.4
91.05486	85.6
93.06482	5.7
93.07047	79.2
95.04971	35.5
95.08611	44.3
97.02891	14.0
97.06546	16.4
97.10174	14.0
99.04455	4.5
99.08073	4.0
105.07034	62.3
105.07695	5.0
107.04967	30.2
107.08601	56.8
107.72311	2.9
109.06529	13.7
109.10152	27.1
111.04441	4.9
111.08089	9.9
115.05451	4.3
117.07024	28.7
119.08594	32.5
121.06512	12.1
121.10164	24.6
123.04470	3.6
123.08071	13.1
123.11700	4.7
125.09624	9.2
129.07039	16.9
131.08580	30.3
133.06537	5.5
133.10129	37.6
135.08037	10.0
135.11703	19.1
137.09615	3.3
143.08606	5.9
145.10132	26.2
147.08043	8.0
147.11702	17.4
147.12685	2.9
149.09615	16.4
149.13283	5.7
151.11205	12.4
153.01843	6.7
153.12733	3.8
157.10120	17.5
159.11708	9.3
161.09653	3.6
163.11179	36.0
171.10112	3.7
171.11690	3.5
173.09621	5.1
175.11179	17.4
176.54187	3.1
177.12746	3.6
181.12274	4.2
184.07315	4.9
189.11241	5.7
191.10675	3.5
193.12250	22.8
195.13910	4.0
209.11711	7.9
211.13303	33.6
223.13304	9.7
227.12813	19.3
239.17761	4.2
247.20354	3.6
253.14320	24.7
255.15891	3.9
257.18951	5.0
267.15887	24.2
269.17392	16.1
269.32547	3.3
273.18475	18.4
275.20093	27.6
283.15390	86.9
285.17010	38.1
291.19562	60.3
347.22247	4.4
349.23669	24.2
365.23294	31.2
453.25131	3.2
459.27487	4.2
463.26968	22.3
477.28482	82.1
539.33734	6.8
557.34753	61.2
575.35931	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.2
55.05517	20.2
57.03448	10.0
57.07086	1.4
61.02929	2.5
65.03932	1.9
67.05513	46.3
69.03432	5.0
69.07078	23.2
69.42087	9.2
71.05008	5.9
73.02917	2.0
79.05501	51.7
80.04724	1.2
81.03419	9.0
81.07063	55.5
83.04981	10.7
83.08633	15.2
85.02902	3.3
85.06561	2.3
86.81850	1.1
91.04918	1.1
91.05492	31.8
93.07051	66.3
93.74921	1.2
95.04980	12.0
95.08616	46.2
97.02909	7.3
97.06539	12.3
97.10165	3.8
98.21503	2.5
99.04469	5.9
99.08096	1.8
103.05485	1.9
105.07040	23.1
107.04972	12.3
107.08605	42.3
108.08907	1.2
109.06527	4.8
109.10164	7.5
110.95122	1.2
111.04435	1.5
111.08103	4.1
115.05473	1.5
117.07030	19.1
119.08592	19.1
121.06541	8.0
121.10160	17.4
123.08086	3.5
123.11738	2.0
125.06001	3.1
125.09634	1.6
127.03883	1.7
128.06235	1.3
129.07013	3.4
130.07787	1.6
131.08595	8.4
133.10147	14.5
135.08057	6.6
135.11708	55.1
137.09644	2.3
139.07588	2.4
143.08588	4.0
145.10135	32.4
147.08081	1.8
147.11710	5.0
149.09593	7.6
149.13307	6.8
151.11230	1.7
153.01863	5.2
153.12773	1.5
155.08534	1.8
157.10086	1.7
159.11699	8.6
161.09644	1.2
161.13293	1.4
163.11191	63.9
171.11632	2.1
173.09651	1.7
173.13237	2.9
177.12819	3.2
181.12260	8.6
183.11690	1.8
184.07388	2.5
195.13835	3.8
209.11710	2.2
216.98546	1.2
227.12801	82.5
228.13217	2.4
239.17961	1.7
251.16344	1.8
255.15923	9.9
257.19205	7.3
267.15897	3.5
269.17499	31.7
275.20126	16.6
283.15427	68.8
284.15796	1.9
285.16907	2.5
293.21024	1.7
331.22766	2.8
332.16238	1.2
349.23764	18.3
365.22964	1.7
367.24744	6.7
413.21777	1.5
463.26971	20.8
465.35529	1.2
477.28525	100.0
478.28790	5.0
541.15887	1.2
557.34784	23.3
558.35333	1.6
575.35730	6.4
621.32062	1.5
795.51147	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	15.6
55.05513	38.0
57.03443	16.4
61.02933	4.5
65.03958	5.2
67.05508	75.9
69.03443	10.0
69.07074	25.0
71.05001	10.5
73.02936	2.5
73.83293	1.8
74.69279	1.8
77.03918	2.8
79.05501	62.4
81.03423	67.4
81.07064	83.4
83.04989	30.1
83.08629	26.9
85.02911	21.9
85.06539	5.1
86.09713	2.0
87.04511	2.0
91.05485	86.1
93.07050	55.9
95.04972	37.2
95.08612	29.7
97.02894	7.8
97.06553	12.9
97.10191	7.2
99.04459	3.5
103.05452	1.9
105.07039	66.0
106.07391	2.2
107.04957	18.0
107.08598	44.9
108.08963	2.0
109.02889	2.2
109.06499	10.7
109.10166	52.5
111.04439	4.1
111.08076	11.4
113.06026	4.5
115.05443	2.7
117.07024	13.5
119.04919	3.1
119.06075	1.9
119.08585	35.9
121.06525	9.4
121.10157	13.0
123.04456	2.6
123.08092	8.2
123.11724	13.2
125.09642	6.7
127.07567	3.8
128.06261	3.4
129.07002	18.3
129.17966	2.1
131.08578	30.7
133.06531	7.6
133.10141	72.9
135.08057	9.8
135.11697	7.7
137.09648	5.1
142.07733	2.6
143.08597	3.7
145.06485	2.2
145.10115	13.7
147.08069	8.0
147.11690	19.7
149.09651	10.8
149.10632	1.7
151.11188	33.0
153.01802	3.0
157.06494	2.0
157.10104	18.0
159.08051	2.4
159.11732	5.5
161.09653	7.8
163.11185	5.7
165.12749	2.4
169.10092	2.3
169.12238	8.1
171.11673	2.7
175.11183	21.1
177.09293	2.4
177.12793	2.7
179.10735	2.1
184.07387	6.6
189.11169	3.1
189.12758	2.4
191.06763	2.3
193.12245	51.5
199.14883	2.3
211.13289	81.6
212.65390	1.8
215.12756	4.5
223.13315	5.7
227.12816	6.9
228.13033	1.9
240.05699	2.1
245.19034	5.1
251.12749	3.2
253.14365	100.0
255.17461	2.6
263.20132	2.6
265.60327	1.8
267.15900	20.9
271.15405	2.7
273.18536	29.1
275.20148	2.7
283.15366	4.2
284.15820	2.9
285.16971	64.8
291.19571	51.4
292.19992	3.0
309.20618	2.0
329.21475	2.1
341.02103	2.0
341.06345	2.4
347.22318	9.5
365.23245	39.0
366.23718	4.5
445.25690	4.2
463.26901	22.2
481.27936	19.9
529.34845	2.3
539.34113	5.1
543.36871	3.1
557.34729	27.3
575.35846	63.8
576.36078	2.4
577.81219	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	772.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	9.7
55.05512	21.1
57.03438	9.1
61.02934	1.6
61.23847	1.4
65.03935	1.7
67.05506	43.0
69.03435	4.0
69.07072	23.1
70.68552	1.7
70.68887	3.9
71.01365	2.0
71.04990	4.9
73.02895	2.2
75.23747	1.3
75.63995	1.3
79.05495	49.4
81.03428	12.0
81.07061	49.3
81.07535	3.1
83.04982	9.9
83.08618	18.4
83.51469	1.5
85.02901	3.0
85.06538	1.9
86.09725	1.4
89.68106	1.3
91.05483	30.2
93.07046	65.7
95.04969	11.4
95.08607	47.6
95.98363	1.3
97.02893	5.0
97.06532	16.3
97.10170	7.7
97.10722	1.3
99.04463	6.2
99.08083	3.0
103.05507	1.5
105.07036	28.5
107.04967	14.9
107.08607	47.0
109.06520	5.8
109.10163	8.6
111.04452	3.4
111.08094	3.6
113.06016	2.3
117.07016	19.6
119.07803	2.0
119.08586	20.5
119.21764	1.7
120.08887	1.5
121.06520	10.8
121.10155	24.4
123.08096	3.4
125.06013	4.1
125.09651	5.1
129.07040	3.3
131.08591	11.5
133.10139	16.3
135.08073	5.5
135.11694	57.0
137.09642	2.1
139.07539	2.9
143.08580	2.0
145.09059	2.5
145.10136	40.3
147.08078	1.7
147.11703	5.8
149.09631	9.7
149.13268	4.1
153.01819	5.3
154.02077	1.9
155.08563	2.0
157.10129	3.4
159.11685	6.5
161.09676	1.6
161.13242	2.2
163.11189	68.3
163.71579	1.6
169.10190	1.8
171.11687	3.4
173.09596	1.4
173.13284	2.7
175.11275	1.8
179.14366	3.2
181.12259	13.2
183.11653	1.7
184.07286	3.3
195.13832	1.6
197.13307	1.8
201.12848	1.5
209.11818	3.2
211.13074	2.0
227.12784	100.0
247.20584	2.6
253.14221	1.8
255.15858	8.9
257.19040	9.8
267.15985	4.0
269.17484	16.5
275.20065	26.2
283.15411	81.6
284.15845	2.0
285.16846	2.3
293.21194	3.0
331.22638	4.1
349.23734	35.0
365.23645	2.2
367.24689	3.2
453.24893	3.2
461.29050	1.7
463.26959	21.9
477.28500	73.8
478.28802	3.0
493.27258	1.8
525.34888	1.7
539.33881	2.1
557.34735	38.9
558.34912	2.1
575.35284	7.7
621.32239	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	772.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	11.3
55.05515	22.3
56.36631	1.7
57.03440	16.0
67.05508	52.3
69.03419	7.8
69.07066	18.1
69.17706	19.3
70.06594	2.7
71.01366	4.4
71.04999	12.1
76.75696	1.7
79.01841	2.2
79.05497	42.4
81.03422	74.7
81.07062	37.5
83.04985	14.2
83.08626	18.1
85.02906	8.1
85.06535	2.1
91.05489	39.3
93.07052	37.9
93.31994	1.7
95.04971	46.8
95.08609	21.7
97.02891	12.0
97.06507	8.7
97.10180	12.6
98.21542	3.4
99.04441	4.7
104.84689	1.8
105.04565	1.9
105.07040	23.1
105.21840	1.9
107.04951	21.0
107.08598	25.4
109.02880	7.0
109.06525	7.5
109.10165	17.2
111.04459	9.2
111.08075	6.8
115.05499	2.2
117.07001	11.9
119.04968	2.2
119.08580	20.6
121.02846	2.0
121.06495	9.7
121.10149	24.3
123.04439	14.4
123.08052	6.4
123.11801	2.0
125.02387	1.9
125.09657	11.8
127.03906	4.0
129.06995	13.7
131.04915	3.5
131.08578	14.9
133.06522	4.5
133.10147	15.1
135.04440	1.6
135.08052	6.0
135.11700	11.0
137.05991	3.7
137.09645	5.2
139.11192	9.0
142.07838	2.0
143.03386	2.8
143.08592	4.7
145.06471	6.1
145.10129	15.4
147.04416	4.3
147.08055	7.8
147.11690	6.6
149.09645	13.1
151.11188	2.4
153.01840	51.6
153.02921	3.4
153.09137	3.5
153.12793	3.0
154.02174	13.9
155.08557	4.9
157.10121	9.1
159.08022	2.1
161.05995	3.0
161.09601	4.6
163.11160	15.5
167.08611	1.9
167.10690	3.5
169.10127	3.3
171.11676	2.6
173.04437	3.9
173.09610	8.6
173.11748	2.7
175.11194	7.1
181.12239	3.3
184.07442	2.4
185.11763	2.7
185.13324	3.0
187.11133	2.0
189.05511	2.1
189.09084	3.5
189.11159	4.5
189.12743	4.2
191.10661	6.0
193.12216	13.6
199.92735	1.9
205.12169	2.7
207.13803	4.1
209.11752	14.1
211.13223	4.5
217.12329	2.5
223.13332	3.5
227.12772	6.4
229.12445	2.1
229.14334	11.0
235.13306	14.3
241.14342	11.2
243.13860	2.1
247.13251	5.0
249.15019	5.4
259.15424	17.9
265.14294	5.4
267.15961	37.6
271.13342	2.7
283.15485	10.6
289.14377	3.4
301.16632	12.1
309.17017	15.9
332.17749	2.5
337.21667	2.8
355.22592	3.3
383.22180	11.5
401.23230	9.8
419.24551	4.8
421.25757	5.1
422.26007	3.3
423.26343	3.1
433.25925	6.1
447.27283	4.8
457.25769	23.8
475.26941	100.0
476.26675	2.7
489.28671	3.4
493.28021	56.9
494.28543	2.9
507.29660	11.4
511.29214	3.8
525.30206	3.1
601.29950	5.4
619.31207	7.7
637.31824	3.7
697.08215	1.9
789.15564	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.8
55.05512	36.8
57.03439	20.6
57.07063	3.0
59.05002	26.8
63.16699	1.9
65.03926	5.6
67.05505	89.7
69.03416	6.0
69.07066	15.6
69.29252	20.1
71.04993	17.9
79.05067	3.7
79.05494	50.9
81.03422	100.0
81.07062	46.7
83.04997	20.3
83.08614	33.5
85.02930	10.3
85.06533	4.8
87.04467	33.4
91.05484	49.6
93.06493	2.7
93.07046	38.9
95.04972	36.5
95.08620	26.5
97.02878	7.2
97.06521	10.7
97.10171	22.2
99.04453	10.0
99.08148	2.3
105.07034	31.6
107.04961	20.1
107.08594	26.4
109.06513	8.0
109.10161	46.5
111.04453	11.8
111.08099	13.0
115.05426	4.4
117.07018	11.6
119.04931	3.3
119.08584	29.8
121.02868	3.5
121.06506	8.8
121.10133	23.8
123.04403	7.0
123.08041	5.9
125.09640	18.1
129.07005	20.2
131.04976	2.6
131.08551	18.9
133.06458	6.3
133.10133	13.3
135.04367	6.2
135.08092	7.2
135.11682	8.5
137.05978	3.0
137.09590	6.7
139.11136	2.4
142.07840	2.7
143.08585	4.0
145.06502	4.6
145.10112	9.4
147.04399	4.1
147.08028	7.0
147.11700	19.2
149.05966	2.1
149.09619	23.7
151.11186	3.2
153.01851	8.2
153.09096	4.0
153.12769	11.3
155.08591	4.0
155.10663	6.7
157.06523	3.1
157.10139	19.0
159.08055	2.8
159.11639	3.2
161.05966	4.6
161.09637	4.3
163.11160	18.8
165.12709	4.9
167.10683	5.1
171.08057	3.9
171.10197	2.7
173.09654	6.5
173.11736	9.3
173.13144	3.0
175.11153	21.2
181.12224	9.7
184.07314	5.2
185.13269	3.9
187.11081	2.5
189.11264	12.6
191.10623	6.9
193.12254	62.2
197.15443	3.5
199.13327	6.1
205.12123	2.2
209.11676	15.4
211.11276	2.2
211.13268	45.8
213.12886	2.9
217.14410	2.2
223.13402	3.8
225.14819	15.0
227.12781	18.8
229.12143	3.0
229.14340	40.0
231.13815	5.3
235.13380	4.2
241.14272	3.8
247.13258	9.9
249.14902	17.5
265.14484	2.3
267.15924	68.4
268.16101	2.7
273.14740	2.7
277.14163	2.7
283.15494	15.8
289.14517	2.2
315.18076	3.0
337.21664	7.9
350.79108	2.3
355.22815	10.6
365.21106	11.4
373.23715	6.5
383.22144	30.5
391.25027	2.8
401.23267	24.1
409.25562	3.9
415.24661	7.6
419.24200	2.8
421.25818	31.4
433.25681	7.7
447.27441	5.4
457.25919	10.5
475.26813	22.0
489.28055	4.7
493.27847	6.5
507.29526	20.3
525.30573	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	771.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.2
55.05515	15.2
57.03441	6.0
57.07074	2.2
61.02935	16.2
65.03929	1.9
67.05511	29.9
69.03436	8.7
69.07073	14.1
71.01355	2.0
71.04990	2.8
71.08629	1.3
73.02924	9.8
73.53658	0.8
79.01859	2.4
79.05503	25.3
81.03432	6.5
81.07064	26.7
82.07384	0.9
83.04986	3.3
83.08625	7.6
85.02910	15.0
86.09696	1.8
89.45624	0.8
91.03967	7.5
91.05490	24.4
92.05815	0.9
93.07050	23.3
94.07412	1.2
95.04971	3.6
95.08617	25.3
97.02908	10.9
97.06506	4.2
97.10176	3.7
99.04485	1.9
99.08102	1.6
101.02367	2.6
105.04528	1.2
105.07043	17.5
107.01305	0.9
107.04971	2.2
107.08598	16.3
109.02890	1.7
109.06519	1.7
109.10158	9.1
111.08081	2.2
115.05404	1.8
117.07027	12.1
119.08585	17.4
121.06485	0.9
121.10146	9.4
123.08076	1.2
123.11706	2.1
125.00025	1.1
125.09629	1.7
127.03954	4.8
128.06232	3.5
129.07021	12.3
130.07864	1.0
131.08580	15.1
133.10141	12.2
133.59196	0.8
135.08072	2.4
135.11710	5.9
141.07008	5.9
142.07780	3.7
143.03384	2.2
143.08565	13.1
144.09207	1.0
145.06482	1.3
145.10143	16.7
147.07954	0.9
147.11691	6.7
149.02376	1.0
149.09689	1.8
149.13304	2.5
153.01842	31.9
153.02899	1.7
153.07040	1.5
154.02156	1.0
154.07761	1.4
155.08577	10.4
156.09308	2.9
157.10124	14.7
159.11707	10.5
161.09668	0.8
161.13226	4.0
163.11253	1.5
163.14828	1.6
165.07014	1.6
167.08565	4.9
167.68480	0.8
168.09361	2.2
169.10167	14.7
171.11731	11.5
173.09734	1.0
173.13338	6.3
175.11029	0.9
175.14871	2.5
177.12744	1.0
179.08566	3.1
180.09216	1.5
181.10115	6.5
182.10851	1.8
183.10223	1.6
183.11728	13.6
184.07323	7.0
185.09680	1.1
185.13234	9.1
187.14859	3.5
189.16422	1.5
191.08627	0.7
192.09386	1.2
193.10152	3.6
195.11732	8.5
196.12415	1.1
196.27708	0.8
197.13289	10.5
199.11252	1.0
199.13315	1.1
199.14809	5.6
201.16354	2.1
205.10146	1.5
207.11707	3.6
209.13293	7.5
210.14215	0.9
211.14876	8.0
213.16438	3.4
215.17856	1.0
219.11810	1.4
221.13292	3.3
223.14836	5.1
223.16772	0.9
224.92334	0.8
225.16412	5.9
227.17978	2.6
233.13275	1.4
235.14841	2.7
237.16422	2.8
239.18021	2.5
241.19618	2.0
244.54233	0.8
247.14857	1.8
249.16440	1.9
251.18016	2.0
255.21315	0.9
257.19083	1.1
263.18066	1.5
267.21002	1.0
274.23630	0.9
275.17734	0.9
279.05154	1.1
304.45532	0.8
311.20087	0.9
323.23773	1.9
337.25293	1.1
349.24997	1.6
351.26828	1.7
357.24069	0.8
363.26819	1.0
365.28149	1.4
375.87970	0.9
379.30118	1.2
405.31781	1.0
447.32336	1.2
501.35721	1.1
515.37799	1.6
517.40588	5.7
527.37451	1.4
530.39130	1.0
535.41241	3.2
539.37054	1.8
541.38879	1.5
581.41876	1.1
591.44287	5.5
607.43011	2.5
609.45160	100.0
610.45789	6.9
612.46832	3.4
621.44763	1.3
639.85138	1.0
651.46082	1.4
717.46918	1.4
735.48309	1.4
753.49005	2.4
771.37823	1.4
771.50427	20.2
772.50830	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	1.1
55.02018	0.5
55.05420	8.6
55.05720	2.4
57.03341	4.3
57.03643	1.2
57.06993	1.6
61.02826	12.9
61.03180	2.9
65.03879	0.8
67.05399	18.4
67.05804	3.6
69.03325	7.0
69.03728	1.0
69.06963	9.8
69.07368	1.7
71.01273	1.2
71.04919	1.2
71.08534	0.8
73.02805	7.6
73.03252	1.3
79.05379	14.7
79.05891	2.0
81.03297	3.0
81.06939	19.7
81.07471	2.6
83.04868	1.9
83.08501	5.1
85.02783	11.3
85.03351	1.3
85.06441	1.3
86.09607	1.2
91.03827	6.4
91.04463	1.2
91.05358	12.5
91.05996	1.4
92.24420	0.5
93.06919	14.9
93.07551	1.5
95.04864	1.6
95.08482	15.1
97.02766	10.8
97.03431	1.0
97.06444	1.3
97.10041	3.1
99.04343	0.7
101.02254	2.7
104.07813	0.5
105.06898	12.4
105.07674	1.2
106.33955	0.5
107.04858	0.9
107.08459	12.1
107.09234	1.0
109.02811	0.9
109.06396	1.9
109.10016	7.2
110.16319	0.6
115.03813	1.7
115.05338	1.4
117.06884	7.5
119.08439	13.1
119.09365	0.9
121.10138	7.0
123.07969	1.4
123.11567	1.8
123.12350	0.6
124.99866	0.8
125.09522	0.9
127.03918	2.9
128.06090	2.5
129.05403	0.7
129.07007	9.3
130.07655	1.1
131.08574	13.3
133.06454	0.5
133.10146	8.0
135.08011	0.7
135.11703	5.3
137.05888	0.7
137.09454	0.9
141.07005	4.5
142.07758	2.6
143.08565	12.2
144.09236	1.0
145.04868	0.8
145.06308	0.6
145.10123	12.2
147.11674	5.5
149.09445	0.7
149.13087	2.2
153.01845	5.3
153.06851	1.4
154.07622	1.5
155.08553	11.0
156.09224	1.9
157.10129	14.1
159.07913	0.7
159.11713	8.8
161.09592	0.9
161.13116	2.1
163.10982	0.7
163.14723	1.0
165.06865	0.8
167.08554	4.7
168.09187	1.8
169.10133	11.6
170.10828	0.8
171.11714	10.3
172.11963	0.7
173.13263	4.9
175.14653	2.5
179.08444	1.8
180.09215	0.7
181.10133	6.4
182.10730	0.9
183.11722	11.0
184.07336	2.9
185.13257	7.9
187.11063	0.7
187.14812	3.4
189.16252	0.7
191.17853	0.8
193.09956	2.1
194.10699	0.6
195.10217	0.7
195.11658	7.4
196.12323	0.8
197.13251	10.3
199.14812	5.2
201.16270	1.3
203.17859	0.7
205.10013	1.0
206.10779	0.7
207.11520	2.3
208.12337	0.6
209.11423	0.8
209.13252	7.3
210.13843	1.0
211.14825	6.4
213.16476	3.6
215.17799	1.0
219.11560	1.4
221.13258	2.8
223.14876	5.2
225.16364	4.3
227.17752	1.8
233.13194	0.9
235.14920	2.7
237.16376	2.6
239.17987	2.6
241.19598	1.1
247.14767	0.7
249.16225	1.4
251.17807	2.0
253.19339	1.8
255.19510	0.6
259.20410	0.6
263.17920	0.9
265.19385	0.8
267.21133	1.0
277.19290	0.8
281.19016	0.5
281.22504	0.7
281.40604	0.7
285.21771	0.7
295.20380	0.9
296.65088	0.6
297.18585	0.7
297.21872	0.8
299.23770	0.8
307.20483	1.0
309.21875	1.0
311.23737	1.2
315.17752	0.6
321.21875	0.7
323.23410	0.7
325.25214	0.8
327.22910	0.5
335.92438	0.5
339.23154	0.7
339.26944	0.9
341.24945	0.7
349.25031	0.9
351.26700	1.1
355.26395	0.9
363.26749	1.3
365.28403	1.2
377.28299	1.1
379.26010	0.8
391.25787	0.7
391.30261	0.7
447.32428	1.3
473.32837	1.1
477.83313	0.7
499.39658	0.7
501.35379	1.1
517.40393	6.1
521.36359	1.2
527.37927	1.0
535.41528	3.5
539.37360	2.2
541.39056	1.2
553.38409	0.7
565.42383	0.7
591.44214	5.7
607.43604	1.8
609.45160	100.0
610.45398	6.6
611.46899	1.2
621.45343	1.7
735.48401	1.5
753.49689	2.0
771.50500	19.7
772.50726	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	771.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
69.03423	0.3
71.35590	0.2
78.86890	0.1
79.01857	6.9
81.03410	0.5
95.01271	0.1
97.02885	1.4
107.01315	1.6
107.18715	0.1
109.02866	0.9
123.00792	0.2
125.02354	3.2
127.03928	3.8
128.04233	0.1
131.04941	0.2
143.03400	6.9
144.03578	0.1
153.01836	100.0
153.02893	6.5
154.02162	1.2
155.90477	0.1
159.04436	0.3
177.05481	0.2
181.01357	0.3
187.03929	0.1
191.03423	0.1
205.04956	0.4
215.03351	0.2
217.05022	0.2
233.04440	1.2
243.02861	0.1
261.03943	1.2
261.06110	0.1
264.27020	0.1
273.45425	0.1
279.04993	1.7
305.02899	0.8
327.95877	0.1
362.94260	0.1
657.14282	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	771.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
56.32901	0.1
58.79469	0.1
69.03425	0.3
69.93238	0.5
79.01859	8.1
81.03436	0.6
87.00847	0.1
90.03731	0.1
97.02892	1.6
107.01318	1.7
109.02874	0.8
119.46706	0.1
123.00793	0.4
125.02366	3.3
125.03277	0.2
125.23357	0.1
127.03929	3.8
131.04955	0.2
143.03407	7.5
144.03746	0.1
153.01842	100.0
153.02910	7.1
154.02168	1.9
154.03304	0.2
155.02341	0.2
159.04442	0.4
163.04018	0.1
177.05486	0.2
181.01303	0.2
183.02853	0.1
205.04990	0.5
215.03355	0.2
233.04466	1.2
243.03052	0.2
259.02408	0.2
261.04010	1.1
277.03406	0.3
278.03848	0.2
279.05005	1.6
303.01501	0.5
304.01685	0.4
305.02859	1.5
431.06235	0.1
449.07181	0.2
542.81152	0.1
619.08716	0.1
649.49127	0.1
738.62323	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	771.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
55.46109	0.1
65.00311	0.1
68.99780	0.1
69.03418	0.2
71.06615	0.1
71.06920	0.1
78.60888	0.1
79.01855	7.7
81.03405	0.6
85.97686	0.1
87.00813	0.2
92.32581	0.1
97.02891	1.2
107.01319	1.6
109.02889	0.7
123.00767	0.5
125.02341	3.1
127.03921	3.6
128.04237	0.1
131.04935	0.2
143.03401	7.0
153.01833	100.0
153.02887	6.4
154.02148	1.5
159.04404	0.3
177.05560	0.1
181.01260	0.3
182.47569	0.1
187.03912	0.2
205.04895	0.6
215.03419	0.2
217.05063	0.2
233.04439	1.4
243.02899	0.2
261.03949	1.3
279.04996	1.7
305.02951	1.1
392.33029	0.1
449.07312	0.2
654.57788	0.1
706.50232	0.1
771.09894	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
68.99796	0.1
69.03432	0.3
70.81908	0.2
70.82263	0.1
71.04978	0.1
73.28358	0.1
79.01860	7.6
80.02201	0.1
81.03423	0.4
87.00813	0.3
95.01344	0.1
97.02901	1.4
107.01324	1.7
107.02041	0.1
109.02873	0.6
118.21107	0.1
123.00765	0.2
125.02357	3.7
127.03930	4.0
131.04942	0.2
143.03406	6.9
153.01840	100.0
153.02893	6.6
154.02144	1.2
159.04428	0.3
174.46629	0.1
177.05487	0.2
181.01367	0.1
183.02965	0.1
187.03810	0.1
205.04944	0.5
215.03326	0.1
217.04965	0.2
233.04457	1.3
243.02972	0.3
245.71333	0.1
261.04001	1.1
279.04987	1.5
301.70532	0.1
305.02942	1.0
341.21857	0.1
365.39465	0.1
429.67969	0.1
449.07321	0.2
771.09729	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	770.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01665	1.6
55.01874	15.8
55.05518	32.9
57.03437	12.9
57.07064	2.7
59.04996	2.3
59.63918	1.7
61.02917	2.0
65.03938	4.2
67.05509	95.2
68.05851	1.6
69.03430	12.6
69.06734	2.3
69.07074	33.5
70.02213	7.1
71.04986	8.1
71.10265	1.6
72.04032	1.7
73.02895	2.0
73.06529	2.3
79.05499	90.4
81.03419	25.6
81.07063	93.8
83.04985	22.5
83.08625	18.4
85.02890	6.6
85.06541	5.7
86.09705	4.2
91.04916	3.8
91.05487	94.6
93.07048	100.0
95.04978	22.2
95.08616	51.6
97.02888	5.3
97.06544	17.3
97.10165	7.2
99.04455	4.0
99.08083	3.9
103.05479	4.1
105.04527	4.1
105.07038	71.4
107.04955	20.3
107.08597	59.3
109.02867	4.4
109.06518	13.4
109.10159	40.0
111.04462	3.6
111.08086	7.5
113.06053	3.0
117.07015	23.6
119.07799	2.9
119.08594	36.3
121.06529	13.3
121.10160	15.6
123.04406	2.7
123.08057	9.2
123.11710	7.6
125.05962	3.9
125.09605	4.8
127.03887	4.2
127.07557	3.3
128.06221	4.2
129.07022	14.8
131.08572	18.8
133.06451	5.8
133.10139	58.8
135.08086	8.5
135.11690	38.4
137.09610	2.9
139.07500	2.1
142.07733	1.9
143.03377	2.0
143.08571	11.0
145.06538	3.3
145.10123	36.9
145.11169	3.4
147.08058	5.3
147.11699	28.1
149.09627	9.0
149.13263	4.4
151.11203	19.3
153.01830	26.5
153.02963	3.5
153.20798	1.7
155.08539	2.9
157.10132	5.9
159.11713	12.7
161.09608	7.8
161.13225	11.1
163.11188	38.7
169.10202	3.3
171.11671	15.6
173.04474	2.7
173.13252	2.5
175.11214	5.2
177.12675	3.2
179.10707	1.7
179.14178	3.0
181.09998	2.0
181.12247	5.1
183.11601	2.6
184.07277	4.3
185.13094	2.5
187.11209	3.2
189.11220	2.1
189.12753	6.4
193.12312	2.3
195.13763	3.7
207.13843	14.6
209.11655	2.6
215.12746	3.7
227.12790	48.4
239.17735	2.8
245.19089	3.8
251.12798	3.5
253.14371	87.0
257.18997	7.8
267.16000	3.3
269.17465	7.5
273.18448	21.9
275.20032	23.9
276.20352	2.2
281.17480	60.9
283.15399	33.9
291.19556	19.3
293.21094	1.9
309.20599	4.7
347.22208	9.8
349.23734	11.4
355.18143	1.8
365.23230	27.5
435.27225	4.7
451.26913	3.3
461.29120	15.8
475.30569	48.8
479.26624	11.4
537.35809	2.2
541.35352	2.2
555.37311	23.0
573.34210	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	9.9
55.05517	27.1
57.03456	10.6
57.03667	1.8
61.02916	1.8
65.03934	5.1
67.05511	70.7
69.03426	5.7
69.07072	29.8
69.21767	18.4
71.04982	5.3
77.03915	2.7
79.05499	93.4
81.03427	17.1
81.07065	82.6
83.04983	16.4
83.08616	10.6
85.02901	5.3
85.06538	4.3
91.05489	78.7
93.07050	91.7
95.04971	24.6
95.08616	42.5
97.02930	3.9
97.06543	18.0
97.10175	7.2
98.20810	4.6
99.08070	3.1
103.05473	2.5
105.04526	2.9
105.07037	62.4
107.04989	14.8
107.08616	38.1
109.06524	12.9
109.10173	11.6
110.51254	2.3
111.08083	4.9
117.07043	19.6
119.08595	38.5
121.06519	6.5
121.10159	13.8
123.08073	7.1
125.09631	3.7
128.06183	2.0
129.07014	18.4
131.08606	15.8
133.10139	26.6
135.08060	4.5
135.11705	13.6
137.09584	2.8
140.70290	2.1
141.06931	3.0
143.08577	12.9
145.10121	19.8
147.08176	2.3
147.11694	37.7
149.09581	10.2
149.13248	8.1
151.11177	3.2
153.01791	6.7
157.10153	2.6
159.11716	8.9
161.09607	5.7
161.13289	11.4
163.11165	11.8
169.10136	2.8
171.11742	24.1
173.13264	4.4
175.11130	2.4
177.12791	2.5
179.14268	3.2
183.11633	2.2
185.13336	2.0
189.12775	12.3
195.13971	2.6
197.13185	3.2
199.06187	2.0
207.13792	28.3
225.14876	2.7
227.12811	8.3
229.19485	2.1
239.17984	2.5
253.14336	3.4
255.15967	5.9
257.19006	8.5
269.17474	13.4
275.20074	29.2
281.17532	64.9
283.15448	2.0
331.22635	3.6
349.23840	18.4
367.24591	2.4
377.23975	2.0
435.27478	2.9
451.27100	2.2
461.28952	28.0
475.30634	100.0
476.30804	3.3
537.35657	2.8
555.36829	43.9
573.37378	7.1
619.34271	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	770.468
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94390	2.3
55.01882	11.4
55.05513	29.2
57.03435	11.7
59.60806	1.9
61.02934	3.4
65.03922	5.0
67.05511	73.9
69.03430	9.9
69.07076	24.4
69.41521	11.2
69.41933	3.7
71.04992	6.3
73.06540	2.1
77.03905	2.8
79.05497	86.5
81.03422	19.5
81.07059	79.6
83.01319	2.0
83.04984	23.6
83.08612	15.4
85.02900	4.3
85.06539	6.4
91.04903	3.0
91.05481	80.0
93.07051	84.7
93.07639	4.5
95.04972	17.9
95.08061	3.4
95.08615	40.0
97.02900	4.4
97.06526	14.9
97.10143	5.5
98.20783	4.7
99.04458	2.6
103.05440	2.8
105.04510	4.5
105.07035	65.5
107.04968	12.6
107.08600	41.1
109.06538	12.2
109.10172	32.5
111.08117	3.0
117.07031	23.1
119.08579	31.1
121.06502	6.7
121.10161	16.5
123.08080	9.7
123.11692	5.9
125.09578	3.4
128.06256	2.4
129.06981	15.1
130.07826	2.0
131.08577	17.0
133.10146	49.0
135.08044	5.5
135.11694	11.0
137.09593	2.7
141.06955	3.5
143.08577	10.0
145.10110	17.6
147.08017	4.8
147.11676	24.9
149.09647	10.4
149.13213	10.1
151.11215	16.1
153.01863	11.4
159.11691	10.1
161.09616	7.9
161.13242	9.2
163.11206	10.7
166.70049	2.1
169.10115	4.0
171.11736	18.5
173.09665	3.1
173.13187	4.0
177.12692	3.3
181.12277	4.2
184.71280	1.8
189.12715	5.0
203.14458	2.5
207.13806	19.7
227.12808	4.2
229.19403	2.3
253.14362	58.6
255.15649	4.2
257.18964	6.3
259.33432	2.2
263.20108	3.2
269.17508	17.7
273.18542	10.6
275.20029	13.1
281.17474	38.4
283.15463	17.7
291.19571	9.2
347.21988	2.9
349.23828	10.3
349.27512	2.5
365.23199	9.4
431.16180	2.2
461.28958	18.8
475.30579	100.0
476.30859	5.5
479.26523	10.9
555.37268	17.8
573.33826	21.7
619.34772	3.8
658.29773	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	770.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	8.2
55.05266	2.8
55.05514	30.7
57.03440	10.4
57.07089	3.7
59.05005	1.9
61.02928	2.2
64.61866	1.5
65.02512	1.8
65.03941	6.0
67.05509	80.4
68.05845	3.3
69.03440	5.6
69.07070	26.9
69.07420	2.4
69.85638	3.0
69.85981	8.6
71.04990	5.6
71.08632	2.8
73.02914	1.4
77.03904	1.9
79.01863	1.6
79.05498	95.6
80.05830	4.1
81.03434	13.6
81.07060	75.3
82.07393	3.8
83.04985	18.1
83.08624	13.0
85.02911	5.0
85.06541	6.8
91.05488	100.0
92.05817	3.3
93.07051	96.1
94.07398	3.4
95.04974	23.3
95.08617	42.2
96.08952	3.2
97.02889	5.2
97.06524	12.9
97.10196	5.7
98.21521	1.9
99.04480	1.8
99.08110	5.4
103.05461	2.3
105.04562	3.6
105.07038	70.7
106.07365	5.3
107.04967	11.1
107.08604	42.2
108.08944	2.5
109.02853	2.6
109.06557	8.3
109.10161	17.1
110.10468	2.4
111.08088	3.2
115.05444	2.3
117.07010	18.4
119.08592	48.0
120.08893	3.1
121.06550	7.6
121.10138	16.9
123.08047	7.7
123.11731	4.3
125.09641	2.1
127.03926	3.9
127.07590	3.1
128.06253	4.5
129.05544	2.0
129.07033	15.6
130.07846	2.9
131.08583	20.7
133.06474	2.1
133.10135	35.8
134.10437	2.6
135.08083	5.7
135.11719	8.6
137.09616	3.5
140.13187	1.5
141.07010	3.8
141.09082	2.0
143.08546	13.3
145.10139	23.2
146.10593	1.8
147.08096	2.4
147.11694	47.8
149.09674	6.7
149.13260	9.4
151.11208	4.9
153.01854	22.5
153.02998	3.2
155.08548	3.8
157.10184	4.0
159.11708	16.1
161.09669	5.2
161.13254	19.3
163.11208	6.0
169.10158	1.9
169.12318	2.0
171.10252	3.1
171.11687	27.4
173.13295	6.2
175.11156	2.6
175.14871	4.9
177.12813	4.3
179.14340	2.1
181.10133	1.9
183.11731	2.3
184.07397	4.7
185.13243	4.5
187.11185	1.7
187.14754	3.0
189.12755	12.1
195.13840	4.5
197.13345	2.4
207.13800	25.8
208.14200	1.9
211.14960	2.4
225.14784	2.0
227.12773	2.0
241.19514	8.0
253.14346	12.8
254.14658	5.2
257.19058	4.8
259.20599	18.2
269.17453	9.3
273.18518	3.4
274.18811	3.5
275.20102	13.6
276.20355	1.9
279.16043	2.7
281.17487	47.6
282.17938	3.0
283.18256	1.9
291.19687	2.9
292.19955	2.9
293.21048	8.2
315.23346	2.3
333.24289	16.5
349.23657	5.6
365.23474	1.8
366.23788	2.4
367.24496	2.3
447.32434	2.0
475.30612	26.9
477.28583	2.1
479.29019	2.8
483.34979	2.0
526.00568	1.8
539.37329	20.6
555.36401	6.3
557.38409	5.8
571.35736	2.0
573.37543	12.6
608.43304	1.9
611.46741	8.5
679.43390	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	770.434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	13.4
55.02125	1.6
55.05515	33.6
57.03439	13.3
57.07072	2.9
59.05000	2.7
60.47775	0.8
61.02923	3.6
65.03929	2.3
67.05508	42.4
67.60008	0.8
68.05840	1.1
69.03437	10.2
69.07071	26.4
71.01349	1.8
71.05002	5.9
73.02927	1.6
75.81309	0.8
77.03916	1.0
79.01844	1.1
79.05497	38.1
80.05783	0.9
81.03426	19.6
81.07061	41.2
81.74254	1.0
81.74814	0.8
82.07391	1.7
83.01341	4.9
83.04985	14.5
83.08624	17.9
85.02910	7.2
85.06552	2.3
86.09700	1.2
91.03967	1.2
91.05482	34.8
93.07049	36.9
95.04977	12.2
95.08614	17.3
97.02895	14.1
97.06531	8.4
97.10165	13.4
99.04449	2.7
103.05505	1.5
105.04535	1.6
105.07033	25.7
107.04963	13.6
107.08604	21.4
107.09306	1.6
109.02885	3.7
109.06512	7.6
109.07101	0.8
109.10165	11.1
111.04442	3.9
111.08097	4.0
115.05469	2.0
117.07024	16.0
119.04977	1.7
119.08583	21.1
121.06501	6.2
121.10158	9.0
123.04417	1.6
123.08070	8.7
123.11720	1.5
125.06007	1.5
125.09628	8.9
127.03938	2.1
128.06256	1.5
129.07024	5.8
130.07814	2.2
131.08594	13.1
133.06488	3.7
133.10135	12.4
134.07269	1.3
135.08064	5.3
135.11705	9.5
137.09616	3.8
142.07813	1.4
143.03445	1.0
143.08572	5.2
145.06496	1.7
145.10138	19.8
147.08054	6.6
147.11719	7.3
149.09644	3.5
149.13280	2.4
151.11200	1.2
153.01845	15.8
153.02939	1.5
153.09187	1.1
153.12781	2.3
155.08566	2.3
156.09039	1.2
157.10094	4.9
159.08073	1.5
159.11684	5.6
161.09663	2.8
161.13278	1.5
162.10403	1.0
163.11195	20.1
165.09125	1.6
169.10083	1.0
169.12439	1.3
171.10316	1.2
171.11742	3.6
173.04535	1.4
173.09639	3.2
173.13290	1.3
175.11215	2.8
177.12854	1.4
179.14136	1.0
181.12297	2.7
183.11751	1.6
183.84460	0.8
184.07361	1.2
185.13292	1.9
187.11209	1.3
189.11189	3.5
189.12859	1.4
191.10675	2.4
193.10323	1.1
193.12181	1.4
195.11745	1.2
195.13710	1.1
197.13245	1.7
205.12233	1.3
207.13866	2.5
209.11768	4.9
209.13501	1.3
211.13286	1.8
223.13274	19.1
227.12807	8.9
227.18030	1.2
229.14384	1.4
239.17886	1.0
245.18951	1.4
249.14912	3.2
253.14394	2.5
255.17438	0.9
257.19122	1.9
267.15897	3.7
273.18466	13.3
275.20029	4.1
281.17572	4.1
283.15402	70.9
284.15771	1.6
291.19553	100.0
292.19974	3.3
347.22269	3.0
349.23788	2.7
365.23264	45.9
366.23645	2.3
391.32361	1.0
441.36420	0.9
453.25040	1.8
461.28909	1.0
475.30927	1.5
493.28406	4.1
493.34674	0.8
500.52774	1.0
541.35352	5.5
555.36066	3.4
559.36157	1.0
573.34247	93.5
574.34546	3.8
591.35535	1.1
607.43091	1.7
608.43542	4.5
770.48914	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72208	2.0
55.01879	8.9
55.05309	1.9
55.05520	22.3
57.03435	12.6
59.04992	4.1
60.30416	1.8
65.03937	3.0
67.05508	47.4
69.03428	8.1
69.07073	12.1
70.06587	3.1
71.05009	11.4
71.05353	2.3
71.51592	2.5
73.02915	2.3
75.46136	2.0
79.01847	5.9
79.05499	39.9
79.90530	2.2
81.03427	86.1
81.07065	32.3
82.07400	2.6
83.04988	12.8
83.08624	27.4
85.02912	12.1
85.06536	3.8
91.05492	35.3
93.07054	28.3
95.04976	35.7
95.08637	17.8
97.02886	10.9
97.06543	5.5
97.10178	19.9
99.04459	3.1
99.08118	3.0
105.07054	26.5
107.04955	20.1
107.08605	20.1
109.02908	4.9
109.06525	11.9
109.10181	16.4
111.04440	3.5
111.08114	9.9
115.05428	3.3
117.07033	9.3
119.08596	21.6
121.06508	10.9
121.10153	12.1
123.04437	3.0
123.08067	6.7
125.02348	3.9
125.09643	14.7
125.40517	1.9
127.03913	6.9
127.11309	2.6
129.05544	2.6
129.07024	12.4
131.05008	3.1
131.08609	18.0
133.06500	7.1
133.10139	8.2
135.08054	7.1
135.11748	4.4
137.09648	3.6
142.07768	3.1
143.03426	5.3
143.08583	6.9
145.06497	7.2
145.10129	8.1
147.08070	7.0
147.11678	12.1
149.09700	10.8
151.07425	2.5
153.01851	100.0
153.02934	5.9
153.09076	2.6
153.12769	3.1
155.08543	3.7
157.10165	16.3
159.08096	2.5
159.11754	2.5
161.09633	4.9
163.01114	2.1
163.11191	4.1
171.08069	2.1
171.11691	3.3
171.68745	1.9
173.09590	2.0
173.13210	2.5
175.11188	9.4
181.10124	2.3
183.11674	2.8
184.07359	6.6
189.11195	4.5
193.12263	22.3
195.29759	1.9
199.11171	4.1
199.13283	3.0
211.11452	2.4
211.13300	11.8
215.14253	2.1
217.12383	2.8
227.12802	9.4
229.14394	5.0
233.15501	5.5
235.13362	2.6
241.14377	3.8
249.14879	2.6
259.13181	2.4
263.16452	3.0
263.19403	2.1
267.15955	45.1
273.14661	3.4
282.14606	5.0
283.15427	3.6
285.16913	6.3
301.14072	2.6
309.16818	2.2
315.17722	2.8
357.24182	3.6
367.22711	14.1
385.23788	23.6
403.25006	7.5
421.25845	6.4
433.25204	3.1
441.20898	2.8
441.26321	10.1
459.27432	81.4
459.33920	4.4
460.27866	2.9
474.25974	3.7
475.26721	2.8
476.27896	3.4
477.28525	84.0
478.28723	3.0
491.30023	13.9
492.30334	2.9
509.31317	13.8
543.36920	2.8
567.30371	2.3
585.30658	3.7
603.31415	4.9
621.32428	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	770.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	14.9
55.05265	2.5
55.05512	28.5
57.03444	12.3
57.07102	1.7
59.04992	2.2
59.28049	1.4
61.02923	4.2
65.03947	3.9
67.05510	72.5
69.03435	7.1
69.07070	17.9
69.41850	8.3
69.42255	3.2
71.01361	1.6
71.04993	8.8
73.02925	1.7
74.09708	2.1
79.05496	65.3
81.03424	21.0
81.07060	80.6
83.01342	5.2
83.04985	21.2
83.08620	12.2
85.02898	5.8
85.06533	7.0
86.63415	1.4
88.23866	1.4
91.03913	1.6
91.05486	74.7
93.07050	66.7
93.07641	3.4
95.04971	20.4
95.08614	29.4
96.88019	1.7
97.02907	4.4
97.06535	12.2
97.10165	5.6
99.04457	6.0
99.08050	2.0
103.05465	2.7
105.04483	2.6
105.07036	57.6
107.04971	14.9
107.08599	54.0
109.02907	2.5
109.06526	12.7
109.10162	50.4
111.04440	5.0
111.08076	4.8
113.06021	2.5
115.05508	2.4
117.07013	16.6
119.08596	24.1
121.06535	8.6
121.10133	12.8
123.08107	9.2
123.11674	8.0
125.09649	2.2
127.03934	2.9
128.06238	3.9
129.07028	12.0
131.08565	12.8
133.06512	4.3
133.10136	62.8
134.10513	1.7
135.08063	7.5
135.11697	14.3
137.09599	3.0
139.07556	1.7
143.03403	1.5
143.08580	7.6
145.06488	1.7
145.10150	21.7
147.08008	3.7
147.11694	16.6
149.09673	9.9
149.13275	3.2
151.11211	24.2
153.01811	13.0
153.12764	1.6
155.08549	2.6
157.10178	2.4
159.11693	5.0
161.09631	7.6
161.13272	3.7
163.11185	17.0
164.05664	1.4
169.12286	4.4
171.11671	11.9
173.09554	1.6
175.11189	4.5
177.09215	1.8
181.12202	2.1
184.07426	1.9
185.13275	1.6
189.12804	4.3
191.10713	2.6
207.13789	11.1
209.11642	7.6
213.36746	1.6
215.12862	2.7
227.12758	3.9
245.19075	4.1
251.12958	2.0
253.14365	100.0
254.14793	3.0
263.20001	2.8
267.15921	2.1
269.17520	8.7
273.18524	19.1
275.20041	9.2
281.17480	21.4
283.15408	53.6
284.15967	2.5
291.19568	20.1
347.22177	8.1
349.23953	3.9
365.23206	23.8
461.29059	10.0
475.30649	55.1
477.24783	2.8
479.26401	40.5
555.36176	13.5
573.34155	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	769.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50030	1.3
55.01875	17.6
55.05518	31.2
57.03443	11.4
57.07080	12.5
59.04995	3.6
65.03934	5.3
67.05510	100.0
68.05827	1.5
69.03093	1.6
69.03438	21.8
69.06781	1.4
69.07076	13.0
69.68597	1.3
71.01349	5.9
71.04993	10.7
71.52074	2.0
72.71602	1.2
73.02918	3.3
79.05499	41.4
81.03424	52.9
81.06590	2.7
81.07060	45.4
82.07401	1.2
83.04990	15.2
83.08615	16.4
85.02915	15.4
85.06532	4.9
87.04453	2.1
90.37109	1.2
91.05489	34.4
91.96700	1.2
92.05821	1.2
93.07057	29.9
95.04976	22.1
95.08610	19.9
97.02900	20.0
97.06529	12.1
97.10173	11.6
99.04457	4.9
99.08074	1.7
103.03934	1.7
103.05433	1.4
105.07042	17.1
107.04984	9.3
107.08611	19.3
109.02885	8.5
109.06503	5.5
109.10165	60.4
111.04452	7.1
111.08084	7.7
113.05992	2.5
115.03933	2.0
116.04758	1.4
117.07021	8.7
119.08582	17.2
121.06496	4.5
121.10159	12.1
123.04429	4.1
123.08083	4.9
123.11724	1.8
124.73669	1.3
125.06062	1.2
125.09631	14.2
127.03912	7.8
127.11198	4.0
128.06238	1.9
129.05501	2.6
129.07002	7.0
131.08580	9.8
133.06480	3.5
133.10152	11.5
135.04408	2.3
135.08069	4.1
135.11703	6.9
136.07974	1.2
137.05980	2.1
137.09610	5.5
139.11128	1.9
142.07793	1.4
143.03343	1.9
143.08551	3.2
145.06529	1.4
145.10150	7.6
147.08051	3.1
147.11720	10.8
149.09555	4.3
151.03946	1.4
151.11180	3.0
153.01826	5.7
153.09128	1.5
153.12750	1.7
155.08572	2.4
155.10654	3.4
157.08939	1.4
157.10124	8.4
158.05743	3.7
159.11649	2.4
160.81963	1.4
161.09506	1.5
163.11195	10.1
165.12740	2.3
167.10715	1.3
171.06525	4.2
171.11656	2.7
173.04427	8.7
173.09503	1.7
173.11742	14.1
175.11165	5.6
177.12863	1.6
181.10136	1.5
181.12231	2.3
184.07314	2.3
185.08054	3.1
187.11151	1.6
189.11256	2.9
191.10640	1.2
193.12317	10.5
199.06079	1.4
199.09607	2.5
199.13286	3.0
207.13815	2.0
209.11736	4.1
211.13272	9.8
227.12840	11.1
229.14343	12.7
232.85632	1.4
253.14374	5.2
255.15869	2.6
257.13757	1.6
259.20401	1.5
263.20178	1.4
267.15903	4.4
269.17709	1.3
273.18436	2.6
275.20096	3.7
281.17386	2.0
283.15573	9.4
283.18436	1.8
285.16650	1.5
326.24258	1.9
355.24716	2.5
365.22983	2.4
383.24451	2.9
436.14505	1.3
437.25433	2.3
438.26187	2.7
439.26932	10.2
451.08740	1.6
455.26315	13.3
555.36456	3.6
573.34143	4.6
607.43689	1.8
769.39282	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	769.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42089	0.1
55.01879	0.4
66.17773	0.1
69.03437	0.4
69.22574	1.5
75.97601	0.1
79.01862	8.9
79.19162	0.1
81.03426	2.6
85.02949	0.2
87.00844	0.3
89.96857	0.1
95.01368	0.1
97.02895	2.4
99.04476	0.2
106.03414	0.1
107.01316	1.8
109.02888	2.5
111.04414	0.3
123.00816	0.4
125.02357	3.5
127.03936	3.8
131.04955	0.4
143.03413	7.5
145.02882	0.2
147.04428	0.4
153.01848	100.0
153.02925	7.8
154.02170	1.1
157.02776	0.1
159.04401	0.2
163.03960	0.3
171.02902	1.0
173.02376	0.3
175.03864	0.3
185.02380	0.2
187.03935	0.8
189.05577	0.2
191.03505	0.3
201.01836	0.7
203.03444	0.6
205.04965	0.3
213.01913	0.7
215.03455	0.9
219.02971	0.3
229.01447	0.7
231.02908	3.1
233.04449	0.9
241.01311	0.7
247.02434	0.9
257.00888	1.4
259.02411	4.9
261.03958	1.0
275.01917	2.0
276.02579	0.9
277.03461	15.7
278.03787	0.2
279.04971	1.3
285.00461	1.1
287.02133	0.1
297.06058	0.3
303.01370	19.3
304.01706	0.3
328.99631	0.2
331.00848	0.3
342.92828	0.2
367.04446	0.3
372.51831	0.2
385.05646	0.1
405.13239	0.1
411.03464	0.1
429.04517	0.6
449.07205	0.5
769.09155	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.4
57.67898	0.1
68.99783	0.2
69.03432	0.4
79.01858	9.3
81.03422	3.0
87.00838	0.2
89.03893	0.1
94.25388	0.1
97.02902	2.2
99.04458	0.3
107.01318	2.0
109.02881	1.9
111.04424	0.3
123.00819	0.3
125.02355	3.5
127.02972	0.2
127.03927	3.9
131.04951	0.3
142.20383	0.1
143.03404	7.8
145.02859	0.2
147.04419	0.2
153.01840	100.0
153.02905	7.2
154.02144	1.1
154.03146	0.1
157.02887	0.2
159.04399	0.3
163.03981	0.3
171.02895	0.8
173.02348	0.3
175.03951	0.3
176.89949	0.1
185.02333	0.4
187.03908	0.7
189.05408	0.2
190.75604	0.1
191.03366	0.3
195.02867	0.2
197.00734	0.2
201.01831	0.7
203.03357	0.7
205.04987	0.3
207.02985	0.2
213.01843	0.7
215.03445	0.5
219.02948	0.3
229.01405	0.6
230.02228	0.2
231.02904	3.2
233.04366	0.6
237.03979	0.1
241.01306	0.8
247.02402	0.9
257.00851	1.5
259.02402	4.9
261.04028	0.9
275.01862	2.3
276.02673	0.9
277.03455	14.8
278.03775	0.3
279.04993	1.3
285.00290	0.9
289.03369	0.2
297.06171	0.3
303.01361	17.7
304.01657	0.3
315.01563	0.1
321.02643	0.3
328.99146	0.2
331.00922	0.4
363.03677	0.1
367.04376	0.1
385.05505	0.4
400.75305	0.1
411.03809	0.2
429.04544	0.4
449.07080	0.4
455.02341	0.1
467.08691	0.1
769.08899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36938	1.9
54.05120	1.9
55.01870	9.3
55.05269	2.3
55.05516	33.6
57.03434	9.0
65.03934	5.8
67.05509	93.9
69.03410	6.0
69.07075	24.3
71.04978	5.2
73.06561	2.9
79.05499	91.5
81.03423	13.6
81.07062	90.7
83.04990	21.5
83.08620	11.4
85.02893	4.8
85.06534	6.2
91.05488	97.6
92.05782	1.9
93.07050	100.0
95.04979	26.6
95.08616	40.2
96.23222	1.8
97.02859	3.3
97.06525	9.9
97.10166	5.4
99.04433	2.2
99.08110	2.0
103.05429	3.2
105.04513	5.1
105.07037	86.7
107.04965	16.7
107.08607	46.8
109.06506	14.2
109.10163	48.9
109.10864	1.4
111.08087	2.3
113.05989	3.5
115.05453	2.5
117.07034	15.9
119.08590	35.1
121.06520	11.5
121.10191	11.6
121.10884	2.5
123.08043	7.8
123.11697	8.6
127.07555	2.2
128.06194	6.4
129.07008	18.1
131.08583	14.5
133.06474	7.1
133.09122	3.3
133.10138	68.2
135.08089	8.0
135.11682	6.9
137.05942	1.9
137.09618	3.4
143.08559	15.4
145.10132	21.2
147.08046	5.1
147.11703	34.5
149.09631	9.2
149.13278	2.5
151.11205	25.0
155.08662	2.0
157.10158	4.6
159.08029	2.5
159.11690	6.8
161.09621	11.5
161.13257	12.7
163.11160	5.4
169.10049	2.8
169.12189	3.8
171.11703	27.8
173.13239	2.8
175.11151	6.3
177.09087	2.8
177.12723	3.2
181.10045	1.9
185.13278	2.7
189.12762	13.3
199.11249	2.3
207.13814	28.0
215.12775	2.7
229.21539	1.7
245.18987	6.7
251.12778	4.1
253.14377	81.7
255.17540	4.5
261.22369	2.0
263.16528	1.8
263.20068	5.0
273.18494	31.8
274.18790	1.9
275.20004	2.3
281.17496	60.6
282.17914	2.0
291.19553	33.8
301.21500	2.0
309.20596	2.9
335.25632	2.2
347.22147	10.6
365.23288	28.7
475.26733	5.0
477.28476	29.1
515.37433	3.3
529.38647	3.7
553.35382	17.0
571.36322	77.7
572.36133	4.9
607.04974	2.2
609.45471	8.1
610.44226	2.1
627.45819	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	768.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.8
55.05516	26.8
57.03445	6.3
58.14125	0.9
58.69024	0.9
61.02934	1.4
65.03937	4.3
67.05508	51.7
69.03435	11.0
69.06730	1.8
69.07076	29.5
71.04993	3.6
71.51106	1.2
73.06553	1.4
77.03915	1.8
79.05498	58.5
81.03427	12.4
81.07063	40.4
82.07359	1.4
83.04999	9.6
83.08620	11.3
85.02930	2.6
85.06536	2.3
91.05487	45.1
93.07050	49.5
95.01310	1.2
95.04968	18.6
95.08615	23.2
96.08898	0.9
97.02906	9.9
97.06538	6.7
97.10174	10.5
99.08101	1.9
103.05468	1.1
105.04533	2.3
105.07038	36.6
107.04971	10.3
107.08601	18.9
109.02901	1.4
109.06525	6.9
109.10160	8.6
111.08068	2.6
115.05482	2.6
115.71668	0.9
117.07011	11.1
117.25947	0.9
119.08588	25.9
121.06530	4.8
121.10193	6.3
123.08057	7.2
123.11663	1.6
125.09673	7.4
127.03942	2.1
128.06241	3.8
129.07033	15.5
131.08583	10.2
132.08894	1.0
133.06499	3.2
133.10143	8.9
134.07269	1.5
135.08058	3.1
135.11705	2.8
137.09621	2.3
141.06985	1.9
143.08559	11.3
145.06502	1.5
145.10144	14.6
147.08066	6.5
147.11694	21.7
149.09645	2.3
149.13264	1.4
153.01796	1.2
153.06967	1.0
155.08517	1.8
157.10155	4.1
159.11745	4.9
161.09679	6.2
161.13239	7.2
165.09097	1.9
168.16309	1.1
169.10153	2.2
169.12105	1.2
171.11681	13.9
173.04297	1.3
175.11208	2.7
177.12833	1.2
181.10120	1.4
183.11681	1.1
184.07286	1.8
185.13298	1.0
187.11182	1.2
189.11241	2.4
189.12787	6.8
195.11781	1.3
195.13803	1.6
205.12224	1.5
207.13800	16.5
211.14731	1.5
222.29851	1.0
223.13272	11.7
225.14980	1.6
227.12767	4.3
249.14931	3.4
263.16446	1.6
267.15918	1.1
273.18555	13.9
275.20178	2.2
276.20425	1.7
281.17480	54.0
282.17807	1.5
291.19556	77.5
292.19897	2.9
347.22342	2.3
365.23270	32.8
366.23550	1.6
451.27039	2.0
473.28922	3.3
491.29401	1.2
553.35004	3.1
571.36334	100.0
572.36475	5.5
594.21429	1.1
607.43207	1.9
609.45288	1.3
768.47839	3.1
769.48718	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	10.7
55.05515	31.8
57.03430	11.3
65.03940	3.6
67.05508	100.0
69.03445	23.6
69.07065	14.6
71.04993	9.3
72.37904	2.7
73.02899	2.9
79.05074	4.7
79.05497	65.4
81.03421	58.7
81.07063	51.7
83.04990	22.7
83.08629	13.4
85.02885	10.6
85.06552	7.5
87.04464	4.9
91.05486	53.8
93.06492	3.8
93.07047	56.1
95.04971	17.5
95.08611	29.4
97.02902	29.7
97.06509	4.7
97.10186	14.2
98.20724	6.0
99.04441	7.7
105.07040	37.4
107.04952	14.2
107.08604	21.5
109.02885	8.1
109.06495	5.7
109.10168	47.8
111.04427	7.9
111.08080	4.7
115.05425	3.1
117.07011	14.8
117.25581	2.6
119.08601	27.9
121.06513	5.1
121.10152	9.2
123.08123	4.1
125.09615	11.3
127.03922	15.3
128.06293	3.9
129.07005	12.5
131.04956	4.4
131.08554	12.9
133.06487	3.8
133.10100	13.6
135.11691	7.7
137.05959	3.6
143.08583	9.2
145.10110	12.5
147.08063	4.0
147.11694	24.3
149.09712	3.2
157.09995	4.4
159.11697	5.5
161.09625	4.4
161.13263	11.6
163.11217	5.6
171.11697	18.9
173.04483	30.9
173.11748	12.4
184.07312	5.1
185.07788	3.1
189.12730	8.5
191.10660	5.2
199.13251	3.9
207.13843	24.4
209.11717	6.6
227.12848	7.1
229.14308	26.0
278.00394	2.9
281.17517	37.6
291.19406	3.1
292.18976	3.7
306.09888	3.0
435.27451	43.1
471.27747	2.8
543.27625	4.3
651.31689	3.2
767.45227	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	766.441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.0
55.05514	10.0
57.03201	1.1
57.03447	11.7
57.07079	34.2
61.02928	1.2
65.03934	1.2
66.71865	0.9
67.05508	23.4
69.03435	4.8
69.07070	10.9
69.40575	7.3
70.48520	0.9
71.04978	2.7
71.08637	24.2
73.02906	4.0
74.09714	1.9
79.05496	12.4
79.57983	0.9
81.03424	75.2
81.07062	23.1
82.03777	1.6
83.04984	5.1
83.08626	22.7
85.02898	3.6
85.06544	1.6
85.10194	14.6
86.09698	3.4
89.06007	1.5
91.05483	14.1
92.05831	1.0
93.07053	8.1
95.04974	24.3
95.08614	23.4
97.02889	5.0
97.06552	1.5
97.10165	5.8
99.04460	2.5
99.08073	1.3
103.08700	1.3
105.07027	9.8
107.04953	7.1
107.08601	4.9
109.02885	7.0
109.06525	2.3
109.10156	12.0
110.03688	2.6
111.04445	6.1
111.08090	6.5
111.11726	1.3
115.05417	1.1
117.07027	2.6
119.04930	0.9
119.08587	11.4
121.06502	3.0
121.10174	5.3
123.04439	3.7
123.08077	2.9
123.11703	2.7
125.00031	3.3
127.03929	2.2
129.07007	7.8
131.08583	6.9
132.99538	2.3
133.06514	3.1
133.10135	4.0
135.11682	1.9
137.13251	2.6
142.07816	1.6
145.10150	2.1
147.04468	1.4
147.08049	3.3
147.11703	5.2
149.09633	3.8
153.09106	1.1
153.10460	1.0
157.10133	8.3
163.11169	2.2
165.12746	1.0
171.11679	1.5
175.11191	8.7
184.07358	12.6
189.12772	0.9
191.00096	3.4
193.12257	33.2
211.13266	2.4
229.14334	2.9
230.14606	1.5
235.13307	7.8
239.23734	7.6
249.14861	3.8
257.24683	1.8
259.13254	2.3
267.15930	86.8
268.16324	1.9
277.14371	3.6
301.14310	2.5
309.16943	5.2
313.27377	100.0
314.27618	5.7
315.28027	1.3
331.28375	1.4
365.10223	1.0
375.18228	1.1
383.11658	1.7
401.63861	1.0
447.15308	1.0
465.24936	2.1
468.37570	2.3
469.38086	1.4
493.17352	18.1
505.38922	72.5
506.39209	4.1
539.22321	1.0
539.28931	11.9
547.40198	5.5
597.41028	1.1
613.41095	1.5
637.25452	1.0
669.28448	1.6
761.08435	1.1
766.47705	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	765.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.3
55.05265	2.3
55.05511	28.6
57.03440	9.5
57.07076	29.2
59.05005	2.3
59.06108	3.4
61.02918	5.4
66.52616	1.6
67.05180	2.7
67.05507	36.6
69.03413	7.5
69.07075	16.3
70.95047	1.4
71.04984	3.1
71.08633	19.5
71.22348	2.2
71.22675	1.5
73.02914	1.6
79.05494	29.9
79.15803	1.4
81.03400	3.7
81.07056	43.4
81.41083	1.3
83.04987	3.6
83.08620	13.7
84.12442	1.9
85.02892	5.4
85.06508	1.6
85.10178	11.2
89.70374	1.5
91.05481	60.0
93.07048	29.0
95.04971	5.7
95.08610	38.6
97.02894	3.5
97.06516	5.4
97.10160	10.6
97.73609	1.4
102.90510	1.4
103.05452	3.1
103.08714	1.9
105.04452	1.5
105.07032	44.7
107.04945	5.0
107.08586	13.2
109.06503	6.2
109.10142	10.9
111.08095	2.5
115.05437	6.7
116.06205	3.0
117.07025	28.2
119.08582	24.3
121.06491	5.3
121.10143	6.1
123.08079	7.9
123.11663	2.9
124.99990	2.7
125.09663	3.6
127.03896	1.9
128.06218	21.8
129.07019	24.0
130.07802	8.5
131.08569	66.3
133.06479	7.0
133.10141	12.2
135.08026	6.3
135.11681	2.7
139.11151	2.4
141.07007	11.4
142.07751	5.1
143.08566	75.1
144.09271	3.0
145.06541	1.6
145.10126	65.9
147.08061	8.7
147.11685	5.8
149.09619	5.3
149.13272	2.1
151.07523	2.9
154.07686	2.0
155.08537	8.4
156.09137	1.8
157.10141	18.7
159.07997	4.3
159.11690	18.0
160.11186	2.8
161.09650	11.3
163.11212	4.1
165.06990	2.6
166.07722	2.5
167.08499	2.8
169.10127	17.0
171.07954	1.9
171.11732	14.9
173.09644	3.0
173.13272	2.6
175.11162	5.9
176.14365	1.7
177.12733	4.7
181.10129	11.2
183.11679	7.1
184.07396	2.3
185.13277	5.9
187.11188	3.2
189.12761	1.6
193.12152	2.1
195.11722	16.9
199.11211	3.5
201.12726	4.2
202.15929	8.2
209.13254	2.0
213.12761	2.3
213.16354	2.3
227.17935	5.3
237.16406	24.2
239.23758	4.6
241.14278	3.9
245.18951	5.2
255.17485	22.7
258.08813	2.7
273.18506	73.2
274.18900	1.9
291.19531	6.0
300.13651	10.0
313.27377	100.0
314.27609	3.1
329.21143	6.7
347.22183	36.6
387.11548	1.6
417.64005	1.8
421.24356	1.8
433.20041	3.4
434.20590	2.0
447.21710	2.6
476.22192	1.8
477.23282	2.2
561.24194	2.3
563.26105	7.0
567.44476	2.0
585.45123	51.1
586.45227	3.6
603.45929	5.6
621.27002	5.2
622.27252	3.6
623.28418	3.1
668.28015	2.5
747.50171	1.7
765.21436	20.8
765.50690	3.3
766.21069	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	763.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01872	0.5
55.05512	2.4
57.03429	1.5
60.08162	1.3
61.02932	4.0
67.05508	5.7
68.35548	0.4
69.03450	2.4
69.07077	2.1
71.07383	0.9
73.02924	3.6
78.41750	0.5
79.05492	4.2
81.03429	1.5
81.07060	6.9
82.89365	0.4
83.04988	0.6
83.08631	1.4
85.02909	4.1
86.09712	7.3
87.10044	0.8
91.03967	1.8
91.05479	3.4
93.07050	5.5
95.04998	0.6
95.08596	2.7
97.02889	3.6
97.06529	1.1
97.10155	0.4
98.20769	1.3
98.98479	0.8
99.04452	1.1
101.02371	1.0
104.10759	0.5
105.07042	1.5
106.20872	0.4
107.08603	3.1
109.02872	0.7
109.06535	0.6
109.10165	1.0
111.08103	0.5
117.07045	1.1
119.08625	1.4
121.10170	1.6
125.00010	5.2
127.03961	0.7
131.08588	1.1
133.10168	1.3
135.11707	1.2
137.78041	0.6
145.10138	0.9
147.11729	0.6
149.09723	0.7
149.13309	1.8
157.10287	0.5
159.11743	1.8
177.12700	0.7
184.07349	23.5
185.04286	0.6
185.07669	3.0
186.07780	0.5
187.34531	0.4
187.77127	0.4
235.13132	0.8
243.08397	2.4
252.26633	0.4
255.85655	0.4
291.16034	0.6
333.20474	1.8
373.03262	0.5
439.19568	0.5
453.21005	8.5
469.20468	0.7
551.28192	5.3
557.88434	0.6
745.47198	0.5
763.42389	100.0
764.42682	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	763.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01881	0.9
55.05515	2.2
57.03439	2.9
61.02927	5.6
67.05508	7.3
67.10227	0.6
69.03436	3.9
69.07074	2.9
71.04997	3.2
71.51262	0.7
73.02929	5.0
79.05505	5.0
81.03405	3.0
81.07060	9.7
83.04970	0.8
83.08624	2.3
85.02916	6.0
86.09731	0.7
87.04513	0.6
91.03949	3.3
91.05485	3.6
93.07046	6.4
95.04993	0.9
95.08628	4.0
97.02893	5.7
97.10156	0.6
99.04491	1.3
101.02377	2.6
105.07047	2.1
107.04932	0.7
107.08585	2.8
109.02909	1.6
109.10175	2.5
111.04483	0.6
111.08097	0.7
115.31498	0.5
117.07034	1.1
119.08615	1.5
121.10177	2.4
122.99297	0.5
123.11761	1.1
127.03944	2.1
131.08647	1.7
133.10164	1.9
135.11696	1.2
145.10109	0.9
147.11797	0.6
149.13335	0.8
151.11253	1.0
159.11757	0.8
161.13367	0.6
163.11169	0.8
165.18060	0.5
183.13983	0.6
184.07449	1.5
227.12849	0.7
243.08562	2.3
264.21704	0.6
267.15906	2.1
302.16858	0.7
335.25888	1.2
339.29187	0.8
340.29251	0.7
485.23608	5.6
519.29291	7.7
548.40637	0.6
566.41608	1.2
763.46063	100.0
764.46350	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	763.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05521	2.4
57.03440	2.5
60.08159	1.6
61.02928	5.3
67.05511	5.8
69.03433	3.5
69.07074	2.5
71.05004	1.0
71.52036	0.8
73.02919	4.1
79.05510	4.0
81.03431	2.0
81.07063	7.0
83.04994	1.0
83.08636	1.5
85.02915	4.9
85.06535	0.8
86.09716	5.7
87.10045	1.2
91.03963	2.6
91.05495	3.4
93.07047	4.9
95.04997	1.2
95.08604	3.3
97.02901	5.1
97.06569	0.9
99.04486	0.7
101.02413	1.8
105.07038	2.6
107.08598	3.5
109.02911	0.9
109.10186	1.6
112.61668	0.5
117.07004	0.9
119.08622	1.8
121.10174	1.9
123.08050	0.6
125.00007	4.9
127.03953	1.3
131.08588	1.0
133.10156	1.9
135.11769	1.2
145.05011	0.8
145.10164	0.7
147.11752	0.8
149.13301	1.5
159.11722	1.4
184.07359	20.2
185.07713	2.7
232.54266	0.5
235.13237	0.7
243.08456	1.9
266.58264	0.5
269.17709	0.8
333.20450	1.5
453.21030	10.4
500.24463	0.6
519.33075	0.5
551.28271	4.2
601.37537	0.6
665.35236	1.3
667.40033	0.5
708.17249	0.5
763.42419	100.0
764.43250	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	762.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50632	0.1
56.05041	0.9
58.06377	0.1
58.06627	0.4
60.08166	5.8
67.05500	0.7
69.83588	0.8
71.07377	3.3
74.70561	0.1
79.05488	0.4
81.03409	0.3
81.07064	0.6
83.38763	0.1
85.02927	0.2
86.09708	29.4
87.10052	0.3
90.60158	0.1
91.05464	0.2
93.07012	0.2
95.08603	0.4
98.98471	3.6
98.99124	0.2
104.10740	1.9
105.07037	0.2
109.10092	0.2
119.81554	0.2
125.00008	20.8
132.27243	0.1
184.07346	100.0
185.07742	0.9
369.51035	0.2
450.22363	0.2
497.96982	0.1
603.39862	0.1
683.74170	0.2
712.45477	5.0
713.45667	0.3
762.41241	0.7
763.41461	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.05519	24.2
57.03433	3.8
57.07075	10.6
61.02940	2.3
67.05510	67.2
69.03423	1.9
69.06729	2.6
69.07073	31.3
70.10496	3.1
70.10912	6.1
71.05001	17.9
71.08627	6.4
72.69716	1.6
74.09722	3.6
79.05499	18.0
81.03388	1.8
81.07059	100.0
83.04988	3.6
83.08633	22.5
85.02897	2.6
85.06551	7.9
85.10198	3.6
86.09711	4.4
90.66550	1.5
91.03993	1.7
91.05492	17.4
93.07043	17.0
95.04986	2.9
95.08060	2.7
95.08617	34.1
95.47501	1.6
97.02879	1.9
97.06532	4.8
97.10189	11.4
99.08086	3.0
100.00687	1.7
105.07024	11.6
107.08595	16.4
109.06521	4.5
109.10162	17.8
111.04433	4.1
111.08067	2.8
111.11674	2.8
117.07001	3.0
119.08591	3.0
121.10143	14.0
123.08076	1.8
123.11720	15.8
125.00048	2.8
125.09622	2.5
131.08545	2.3
132.57744	1.8
133.10129	14.4
135.08133	1.5
135.11693	10.4
137.05998	20.8
145.10014	2.2
147.11705	2.2
149.09612	2.6
149.13292	8.6
151.07584	1.8
151.11237	6.1
159.11678	3.4
169.12256	1.6
169.98965	1.7
183.13797	2.6
184.07365	12.8
187.13312	5.1
195.13809	2.1
249.18628	1.6
265.25241	2.4
267.16077	1.9
269.17520	6.4
277.18088	10.2
295.19037	2.0
301.20096	21.0
323.61774	2.0
331.81815	1.7
339.28894	20.7
340.64566	1.6
341.30588	2.3
364.10782	1.7
489.39529	2.8
507.40488	99.6
508.40521	4.2
521.41797	2.1
529.93890	1.6
533.42114	14.4
565.44659	91.1
566.44989	4.1
589.44843	15.9
621.47083	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	762.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05041	0.9
57.03459	0.2
58.06637	0.6
60.08167	6.3
67.05500	0.6
69.07080	0.1
70.06592	0.2
71.05021	0.1
71.07377	3.9
71.07760	0.2
72.07729	0.1
79.05499	0.5
81.03400	0.2
81.07059	0.4
83.08637	0.2
86.09709	32.0
87.10043	0.2
91.05494	0.5
93.07049	0.4
95.04960	0.2
95.08616	0.3
97.06525	0.1
98.98470	3.7
104.10747	3.3
105.07059	0.2
107.08582	0.3
109.10186	0.2
115.92444	0.1
119.08593	0.2
121.10100	0.1
122.49100	0.1
125.00009	21.1
129.07027	0.2
131.08588	0.2
132.95848	0.1
150.56358	0.1
157.10165	0.1
173.06149	0.1
184.07347	100.0
185.07700	0.9
229.89574	0.1
300.57983	0.1
561.37067	0.1
626.25275	0.1
662.36755	1.4
726.43066	0.2
744.44263	1.0
762.45618	3.5
763.45715	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	762.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.9
58.06626	0.4
60.08169	5.6
67.05511	0.6
67.65645	0.1
70.06587	0.2
70.29199	0.1
71.01100	0.2
71.01432	0.2
71.07378	3.2
79.05492	0.4
81.03420	0.4
81.07064	0.5
83.08650	0.2
86.09709	29.9
87.10041	0.3
91.05505	0.4
93.07061	0.4
95.04959	0.2
95.08600	0.3
98.98471	4.1
104.10747	2.4
105.07053	0.2
107.08623	0.2
109.10229	0.1
112.98627	0.1
125.00011	21.1
184.07349	100.0
185.07747	0.8
267.16022	0.2
293.15479	0.2
318.14578	0.2
529.38879	0.4
712.45563	4.9
713.45453	0.3
763.40778	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.1
56.05048	0.8
57.19033	0.1
58.06625	0.7
59.07391	0.2
60.08169	5.9
67.05512	0.5
69.07069	0.2
70.06622	0.2
71.07381	4.1
71.51341	0.2
79.05499	0.5
81.03417	0.2
81.07062	0.7
83.04967	0.1
86.09711	31.2
87.10058	0.2
91.05479	0.5
93.07044	0.5
95.04958	0.2
95.08606	0.2
97.02876	0.2
98.98472	2.9
98.99123	0.2
102.69849	0.1
104.10742	2.5
105.07013	0.3
107.08586	0.2
109.10173	0.2
114.82466	0.1
119.08578	0.1
125.00012	20.2
126.00331	0.2
133.10091	0.2
143.08629	0.1
147.11707	0.2
159.11629	0.2
184.07350	100.0
185.07722	1.0
186.07759	0.2
334.64981	0.1
646.36774	0.2
674.36633	1.6
675.37048	0.2
728.32965	0.2
728.45050	2.0
744.44507	1.2
762.41522	1.1
763.41461	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	761.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
54.90615	0.4
55.01869	0.7
55.05510	1.9
56.98560	0.4
57.03442	1.4
60.08173	1.3
61.02930	3.7
67.05509	6.6
69.03422	2.2
69.07066	2.0
71.04998	1.1
71.51593	0.7
73.02927	2.3
74.27654	0.5
78.30165	0.5
79.05496	4.6
81.03422	4.4
81.07067	4.7
83.04984	1.3
83.08636	1.4
85.02909	5.0
86.09718	6.4
91.03974	2.2
91.05486	5.6
93.07047	4.8
95.01286	0.5
95.04969	2.6
95.08619	3.1
97.02900	3.9
97.06540	1.1
97.10162	0.6
99.04440	0.7
101.02395	1.4
105.07039	4.6
107.04980	1.0
107.08606	2.7
108.09029	0.4
109.10181	1.5
111.04451	0.5
111.08072	0.9
117.07057	1.0
119.08595	3.3
121.10183	1.1
123.08082	0.6
125.00021	4.2
127.03974	1.0
129.07001	0.9
131.08607	1.6
133.10170	2.8
135.11740	1.3
137.09647	0.8
145.10162	1.7
147.11746	2.0
149.09673	1.2
157.10138	1.3
159.11787	0.6
163.11253	0.6
175.11224	1.3
181.12201	0.7
184.07352	17.6
185.04330	0.7
185.07738	2.1
193.12184	1.1
211.13326	0.5
218.48557	0.4
243.08438	2.2
251.12392	0.5
255.15982	1.0
267.16147	0.5
275.20203	1.4
315.19415	3.5
337.05386	0.5
377.04614	0.6
469.20486	9.4
533.27264	4.9
661.63092	0.6
761.40826	100.0
762.40979	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	762.4548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.7
58.06631	0.5
60.08167	6.5
61.08485	0.2
63.93791	0.1
66.22332	0.1
67.05511	0.4
69.07066	0.2
70.06580	0.2
71.07378	3.8
71.51746	0.2
79.05511	0.3
80.05509	0.1
81.07046	0.2
82.50356	0.1
83.04965	0.1
86.09708	30.7
87.10046	0.4
91.05490	0.3
93.07079	0.2
95.04952	0.1
98.98469	3.7
104.10750	2.4
105.07030	0.2
107.08566	0.2
109.10226	0.1
119.08585	0.2
120.57565	0.1
125.00007	21.3
135.21811	0.1
138.17857	0.2
143.01024	0.2
151.08722	0.1
184.07346	100.0
185.07729	1.3
186.07863	0.3
205.39450	0.2
242.12988	0.1
303.15494	0.1
308.37045	0.1
468.23599	0.2
526.27808	0.1
646.37024	0.2
674.36627	1.8
728.45026	1.8
744.43811	0.5
762.42908	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	761.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
54.56553	0.6
55.05510	1.3
57.03434	1.3
59.04995	1.3
61.02923	3.4
61.03173	0.5
67.05510	2.5
69.03425	2.3
69.07060	0.8
69.31704	4.5
71.04992	2.1
73.02932	2.9
79.05486	3.2
81.03426	4.6
81.07064	3.1
83.04996	0.9
83.08617	1.4
85.02901	4.6
85.06538	0.7
91.03960	1.6
91.05474	4.2
93.07050	3.0
95.04967	2.3
95.08618	1.3
97.02892	3.2
97.06557	0.9
98.20796	1.2
99.04479	1.0
101.02370	1.8
103.03919	0.6
105.07047	2.1
107.04980	1.1
107.08604	1.7
109.02892	0.8
109.06474	0.5
119.08576	2.0
121.10146	2.8
123.08053	0.8
127.03949	0.8
129.07043	1.2
131.08591	2.9
133.10152	1.5
147.11641	2.5
149.09618	2.8
157.10202	2.1
175.11227	1.5
185.04216	0.6
193.12288	1.5
197.15431	0.8
225.14896	1.2
243.08476	2.9
247.62764	0.5
253.14023	0.7
267.16043	1.6
283.15189	5.5
322.08240	0.5
339.17786	2.0
469.20764	1.3
501.23071	26.7
502.23547	1.1
559.61047	0.5
599.34814	0.7
608.52362	0.6
722.91669	0.5
760.50409	0.6
761.39264	100.0
762.39612	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	760.484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01873	4.2
55.05513	14.3
57.03442	7.2
57.07071	3.7
60.08158	5.3
61.02943	1.8
65.03940	2.6
67.05508	57.2
69.03433	3.8
69.07073	15.3
69.21349	9.6
69.21760	4.3
71.05006	16.7
71.07385	3.0
71.08633	2.3
73.02907	1.5
75.41150	1.4
77.75848	1.4
79.05502	28.7
80.05819	2.2
80.50661	1.3
81.03416	6.2
81.07058	40.0
82.03756	1.9
83.04970	7.0
83.08619	7.6
85.02917	4.9
85.06529	2.7
86.09705	28.6
86.10189	2.8
88.81400	1.7
91.05490	37.0
93.07048	39.8
95.04972	6.0
95.08615	23.5
97.02905	2.3
97.06543	6.3
97.10156	2.8
98.98474	4.2
99.08118	3.5
104.10733	3.0
105.07039	27.7
107.04962	2.8
107.08588	22.5
109.06495	1.9
109.10162	26.1
109.10857	2.6
111.08086	3.3
117.07011	9.0
119.08588	24.0
121.06557	1.5
121.10159	12.6
123.08025	1.7
123.11771	2.8
125.00022	20.4
125.09637	3.8
127.03933	2.2
128.06223	1.5
129.07024	6.1
131.08612	11.3
133.10112	20.9
134.10408	1.5
135.08023	2.1
135.11697	14.1
137.09645	7.8
142.07875	1.8
143.08536	6.9
145.10164	13.4
147.11658	9.8
149.09604	2.6
149.13280	9.2
151.11208	5.1
155.08574	2.6
157.10159	5.7
158.10159	1.7
159.11697	11.1
161.13274	6.2
163.11229	5.1
169.10207	1.9
171.11681	7.4
173.11856	3.2
173.13284	4.6
177.12796	1.5
179.14348	1.8
183.11717	2.0
184.07355	100.0
185.13255	4.0
187.13312	2.1
195.13828	2.7
197.13272	2.9
199.14824	1.9
209.13229	1.8
227.12706	2.6
229.14320	2.8
241.19518	6.1
243.15976	2.6
244.30605	1.5
245.17517	1.8
255.15833	3.2
257.18930	1.4
259.20667	15.9
266.60120	1.5
269.17416	13.6
271.19107	1.5
275.07819	1.7
275.20062	2.5
277.21838	2.6
287.18588	12.3
315.23199	3.1
333.24200	12.6
351.25415	2.3
395.29373	2.8
426.98871	1.5
463.30466	19.0
467.18805	2.0
469.33295	2.9
487.34222	36.2
488.34671	2.8
513.35968	19.0
519.36841	3.5
531.36725	3.9
545.38409	19.1
760.38617	23.1
761.40033	3.5
766.18414	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	760.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.6
55.01863	5.0
55.05514	52.0
57.03193	1.7
57.03440	16.9
57.07095	2.9
59.05002	3.6
61.02921	2.7
61.40880	1.2
65.03935	3.2
67.05508	100.0
69.03437	8.3
69.07070	21.6
69.39768	11.7
71.01341	1.7
71.05009	7.6
71.08624	3.0
73.02921	1.3
73.79856	1.3
79.05495	58.3
81.03423	13.6
81.07063	77.5
83.04982	9.2
83.08633	16.9
85.02907	6.8
85.06541	4.2
86.09728	6.7
87.04475	1.8
91.05486	35.9
93.06483	3.1
93.07050	47.7
95.04967	7.9
95.08612	43.9
97.02887	4.4
97.06522	8.4
97.10175	25.3
98.20652	1.5
99.08068	4.9
103.03968	1.7
105.07029	22.8
107.04974	1.8
107.08599	30.8
109.06537	3.2
109.10165	50.9
111.08089	5.2
117.07006	7.2
119.08577	17.6
121.06512	2.2
121.10158	16.8
123.08051	3.2
123.11702	5.4
125.00011	3.5
125.09650	17.1
129.07037	3.4
131.08575	12.5
133.10139	14.3
135.08000	1.7
135.11681	13.9
137.09615	3.9
143.08521	2.5
143.10661	2.5
145.10127	9.6
147.11705	15.6
149.09622	3.0
149.13229	8.9
151.11179	2.1
155.10675	2.7
157.10149	2.8
159.11699	7.1
161.13246	4.3
163.11218	2.7
163.14880	2.1
165.12849	1.8
169.53381	1.4
171.11700	2.5
173.11743	11.7
173.13324	5.1
175.11212	3.0
184.07353	17.5
185.07756	1.6
187.14879	1.9
193.12198	5.9
195.13765	1.8
197.13235	1.7
199.13335	9.1
211.13297	5.8
215.17926	1.5
217.14359	5.9
227.12775	4.1
229.14365	51.1
237.77339	1.7
243.20964	3.5
261.22119	11.9
269.17407	4.2
277.21710	2.5
285.16949	10.6
301.16577	2.5
317.24802	2.4
335.25827	67.5
336.26062	3.5
337.27441	2.8
351.25418	2.7
383.24506	1.9
423.27228	4.3
459.34738	2.7
477.35748	23.5
489.35721	10.6
527.37030	1.8
545.38562	7.0
563.39478	3.0
593.36719	16.3
690.73907	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01866	2.3
55.05514	12.6
57.03436	10.1
57.07072	1.5
60.08163	7.2
61.02918	1.6
65.03922	1.8
67.05508	50.8
68.05844	2.0
69.03428	3.5
69.07082	10.5
70.90229	2.4
70.90572	1.2
71.04972	3.5
71.07365	3.3
79.05498	34.8
79.05957	1.1
80.05834	2.0
81.03421	50.5
81.07063	44.1
82.07408	1.6
83.04976	5.5
83.08620	11.6
85.02895	2.3
85.06544	2.1
86.09710	30.6
87.10098	1.2
91.05489	24.6
92.05807	1.5
93.07044	34.7
94.07403	1.2
95.04977	16.3
95.08617	25.9
97.02885	2.1
97.06523	5.4
97.10168	5.4
98.98466	2.9
99.08096	1.5
104.10771	2.6
105.07028	18.9
106.07372	1.4
107.04960	4.5
107.08601	18.2
109.06528	3.6
109.10162	12.7
111.04434	1.7
111.08093	4.4
115.05467	1.7
117.07021	6.1
119.08580	20.1
121.06482	3.0
121.10149	15.9
122.10523	1.9
123.08064	3.5
123.11700	4.2
125.00011	18.1
125.09655	2.7
129.07002	6.8
131.08575	14.6
133.06467	1.4
133.10124	12.2
135.08049	1.7
135.11737	9.1
137.09660	2.2
137.13203	1.7
143.08565	2.3
145.10146	9.0
147.08029	2.2
147.11710	9.0
149.09608	4.8
149.13246	4.9
157.10158	5.9
159.11714	5.3
161.13217	2.8
163.11127	1.7
163.14799	1.9
165.12805	2.3
166.87343	1.2
171.11700	2.5
173.13271	4.1
175.11220	5.1
181.12172	1.4
184.07346	100.0
185.13196	1.4
187.14862	1.5
189.11223	1.7
193.12247	11.9
211.13380	1.3
227.12746	3.5
243.21092	2.5
259.20544	1.9
261.22189	8.5
267.15921	42.6
269.17432	1.7
270.17795	1.8
271.17996	1.6
276.12216	1.1
285.16675	1.9
301.16714	1.4
301.25284	2.2
303.91739	1.3
317.24741	1.8
333.24487	1.7
335.25806	40.3
336.26288	1.9
435.32480	2.0
453.33539	4.6
471.34503	1.5
485.00284	1.2
527.37341	25.7
545.38324	23.9
563.39502	2.9
569.38361	1.5
710.43652	4.8
761.40607	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	760.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01859	0.4
55.05519	2.4
56.05021	0.8
57.03442	2.1
57.07095	0.3
58.06604	0.4
59.47007	0.2
60.07885	0.4
60.08168	6.0
60.88058	0.3
61.02939	0.3
65.03944	0.2
67.05508	7.4
69.03410	0.4
69.07069	1.7
71.04975	0.6
71.07373	3.3
71.51487	0.4
79.05500	5.7
81.03422	7.4
81.07061	6.9
82.07398	0.5
83.04990	0.7
83.08619	1.8
86.09709	30.4
87.10006	0.3
91.05495	4.0
93.07050	4.8
95.04972	2.5
95.08621	4.3
97.02861	0.6
97.06520	0.9
97.10155	0.6
98.98459	3.5
104.10727	1.6
105.07035	3.2
107.04958	0.8
107.08595	2.3
109.06507	0.5
109.10157	2.4
111.04465	0.4
111.08063	0.9
117.07019	1.0
119.08588	2.6
121.06499	0.6
121.10155	1.9
123.08032	0.5
123.11704	0.6
125.00013	20.2
125.09645	0.7
129.06999	1.1
131.08543	2.1
133.10138	1.5
135.07979	0.3
135.11705	1.4
137.13237	0.4
143.08519	0.7
145.10136	1.1
146.10463	0.3
147.11688	1.0
149.09634	0.6
149.13258	0.8
157.10098	1.3
159.11696	0.6
161.13261	0.5
163.11177	0.5
163.14844	0.4
165.12669	0.3
171.11688	0.3
173.13286	0.5
175.11182	0.7
175.14850	0.3
184.07349	100.0
185.07617	0.8
185.13345	0.4
189.11206	0.3
193.12215	1.7
221.15457	0.3
227.12775	0.7
243.21138	0.7
259.20837	0.3
261.22134	1.2
267.15948	6.7
275.20215	0.4
301.25369	0.8
309.16946	0.3
335.22018	0.6
335.25812	7.7
336.25882	0.5
431.09671	0.3
453.33600	0.7
478.81650	0.4
527.37292	4.1
545.38330	3.2
563.38623	0.5
603.58319	0.3
710.43927	3.5
723.79468	0.3
760.43390	0.9
761.40222	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.1
53.76798	1.9
55.01863	7.5
55.05275	2.8
55.05515	42.1
57.03436	12.6
57.07076	4.1
59.05007	2.7
61.02928	4.0
65.03941	3.3
67.05509	100.0
69.03429	5.4
69.07070	16.3
69.45594	3.8
69.45990	12.4
71.04987	7.2
71.08633	4.0
79.05495	54.9
81.03421	11.9
81.06589	4.0
81.07063	67.2
82.07381	1.8
83.04987	10.4
83.08619	17.8
85.02920	8.3
85.06534	3.6
86.09688	7.1
87.04441	2.2
91.05482	31.4
93.06486	3.2
93.07047	49.6
95.04979	10.2
95.08615	42.8
97.02906	3.1
97.06529	6.7
97.10165	20.2
99.08088	2.1
102.24339	1.8
105.07025	20.5
107.04964	3.3
107.08591	32.0
109.06519	5.3
109.10161	50.8
111.08086	7.7
114.62304	2.0
117.07017	7.2
119.08602	13.9
121.06490	2.2
121.10156	20.2
123.08118	2.0
123.11724	5.0
124.99992	4.6
125.09640	13.2
129.06987	2.9
131.08557	12.6
133.10139	12.1
135.11694	9.1
137.09610	2.8
143.10678	3.6
145.10149	9.9
147.11676	8.8
149.09633	2.9
149.13271	9.0
151.11223	2.7
155.10616	3.4
157.10129	4.4
159.11688	8.6
161.13243	5.1
163.11224	5.3
163.14799	3.7
169.34402	1.6
171.11624	3.0
173.11749	12.6
173.13277	5.0
175.11221	2.6
175.14777	2.1
177.12787	3.3
184.07370	22.3
185.13278	1.7
193.12280	6.7
195.13899	2.4
199.13287	8.4
209.11696	3.2
211.13272	4.3
217.14331	4.3
227.12759	5.9
229.14351	43.7
241.16380	1.7
243.21107	3.1
261.22177	13.1
267.15823	3.6
269.17465	4.1
277.21609	4.4
283.15414	4.5
285.17017	7.6
301.16455	8.0
317.24570	2.4
335.25800	60.9
336.26160	4.2
337.27350	7.2
351.25589	3.5
383.24420	2.1
399.23767	1.8
423.27350	6.6
459.34579	3.0
477.35773	23.4
489.35806	17.6
527.37433	2.2
545.38422	11.2
553.33252	2.1
562.38477	2.1
563.39563	10.0
593.36810	21.1
719.13281	1.9
760.44574	2.3
761.38599	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	760.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
53.41095	0.2
53.89602	0.2
55.01880	0.4
55.05513	1.6
56.05027	0.5
57.03447	1.2
58.06620	0.7
60.08165	6.4
61.02922	0.4
67.05174	0.4
67.05505	4.6
69.07073	1.8
70.06587	0.2
71.04971	0.6
71.07375	4.0
75.09952	0.2
79.05497	3.7
81.03425	5.0
81.07055	4.5
83.04978	0.7
83.08639	2.0
86.09709	30.5
91.05496	3.7
93.07050	3.8
95.04971	2.4
95.08609	3.0
97.02886	0.3
97.06564	0.3
97.10170	0.6
98.21547	0.6
98.98467	3.2
104.10756	1.9
105.07040	2.0
107.04957	0.6
107.08608	1.8
109.06522	0.3
109.10149	1.2
111.08088	0.3
117.07038	0.7
119.08590	1.8
121.10161	1.9
123.11741	0.3
125.00011	21.7
125.09628	0.5
129.07030	0.8
131.08598	1.3
133.10133	1.0
135.11748	1.3
137.09573	0.3
143.00807	0.2
145.10123	0.9
147.11699	1.1
149.09601	0.4
149.13254	0.5
157.10112	1.1
159.11723	0.7
161.13199	0.4
173.13254	0.6
175.11206	0.7
184.07349	100.0
185.07687	0.8
185.13277	0.3
189.11244	0.3
193.12337	1.4
211.13322	0.3
227.12866	0.4
243.21019	0.4
261.22183	1.3
267.15930	5.6
301.25290	0.5
306.31738	0.2
317.24692	0.4
335.25818	5.2
453.33658	0.5
471.34409	0.4
527.37372	3.7
545.38324	2.2
551.67737	0.3
578.14429	0.3
710.44073	3.9
732.48260	0.3
760.42438	0.4
761.40704	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
54.87844	0.3
55.01861	0.4
55.05511	1.5
56.05029	0.5
57.03447	1.3
58.06601	0.3
58.97789	0.3
60.07883	0.4
60.08169	6.5
61.02883	0.3
64.14074	0.3
67.05507	4.8
69.03418	0.4
69.07066	1.4
69.81796	1.2
69.82192	0.6
71.04977	0.4
71.07051	0.3
71.07381	3.6
79.05500	4.1
81.02985	0.4
81.03426	5.5
81.06586	0.4
81.07056	4.8
83.04967	0.5
83.08615	1.7
85.02900	0.4
86.09712	29.1
88.67690	0.3
91.05485	2.8
93.07055	3.6
95.04979	2.1
95.08615	3.3
97.02900	0.3
97.06509	0.5
97.10181	0.6
98.28384	0.2
98.98483	3.3
104.10744	2.0
105.07029	2.3
107.05001	0.4
107.08601	2.3
107.94061	0.3
109.06512	0.4
109.10162	1.4
111.08076	0.6
117.07042	0.4
119.08585	2.5
121.10146	2.0
123.08075	0.3
123.11700	0.3
125.00013	18.7
129.07011	0.9
131.08560	1.3
133.10129	0.7
135.11699	1.0
135.13072	0.3
145.10095	0.9
147.11659	1.4
149.09648	0.4
149.13277	0.7
155.08643	0.3
157.10115	0.9
159.11711	0.7
161.13123	0.3
173.13237	0.5
175.11186	0.5
184.07353	100.0
185.07672	0.9
187.14873	0.3
193.12288	1.4
200.85338	0.3
227.12811	0.5
261.22238	1.2
267.15955	6.2
268.16254	0.3
285.17023	0.5
335.25827	5.7
336.25998	0.4
453.33560	0.3
527.37396	4.1
545.38165	2.4
563.39240	0.6
710.43964	5.6
760.43292	3.2
761.41705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01871	6.8
55.05515	12.6
56.60505	1.0
57.03447	7.9
60.08178	6.6
61.02928	2.4
65.03936	2.3
66.11404	1.0
67.05510	45.8
68.22971	1.1
69.03430	7.6
69.07070	16.5
71.05014	5.8
71.07377	1.9
79.05071	2.1
79.05502	27.4
81.03426	8.1
81.07065	48.2
83.04996	8.8
83.08615	6.2
84.09899	1.0
85.02922	4.3
85.06541	5.6
86.09713	26.3
91.05485	38.2
93.07053	29.5
95.04984	6.8
95.08614	13.2
97.02881	3.4
97.06526	5.6
97.10168	3.2
98.98472	1.9
99.04455	2.7
104.10732	1.8
105.07042	37.4
107.04974	4.3
107.08607	34.6
109.02866	1.3
109.06519	4.9
109.10169	46.8
111.08134	1.6
113.05986	2.8
117.07016	5.6
119.08588	10.6
119.66706	1.2
121.06518	2.5
121.10169	7.0
123.08069	2.4
123.11702	8.5
125.00009	17.9
125.09628	4.6
127.03925	2.0
127.07533	3.1
129.07034	2.0
131.08580	9.3
133.10143	61.0
135.08049	1.9
135.11685	6.4
137.09627	2.0
141.06931	1.3
143.08572	1.3
145.06467	1.3
145.10143	5.9
147.11697	4.8
149.09634	6.3
149.13257	3.9
151.11185	26.2
151.12360	1.5
157.10199	1.6
159.11694	5.4
161.09641	3.2
161.11983	1.0
161.13324	1.7
163.11200	3.2
169.12247	3.6
171.11685	1.7
173.13263	2.1
177.12817	1.6
179.10716	1.2
184.07356	76.5
215.12776	3.6
227.12822	2.6
229.19569	1.5
239.17989	1.6
253.14377	100.0
254.14697	2.1
255.15828	2.4
257.19000	4.0
269.17505	5.2
271.15417	25.6
275.20081	16.3
293.21121	2.4
303.15652	1.2
349.23666	10.3
392.90717	1.1
423.23746	2.2
447.27280	1.8
451.26999	10.4
465.28513	33.4
466.28888	1.6
504.22626	1.2
527.33807	2.0
542.75427	1.1
545.34863	20.9
563.35669	3.4
565.61206	1.3
742.42523	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	760.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01873	3.2
55.05515	5.9
57.03440	4.1
57.07053	0.6
58.06595	0.6
60.08163	4.7
61.02916	1.4
65.03929	1.1
67.05507	24.9
69.03419	2.0
69.07066	9.7
70.90900	1.5
71.01359	0.6
71.04978	3.0
71.07382	4.0
73.02898	0.9
73.43273	0.6
74.09702	1.2
79.05495	13.4
81.03419	4.5
81.07056	25.3
83.04997	4.8
83.08630	3.3
85.02913	1.8
85.06529	2.8
86.09708	29.6
91.05485	21.1
93.07044	16.3
95.04983	3.7
95.08617	6.0
97.02888	0.8
97.06505	3.3
97.10189	1.5
98.98473	3.1
99.04480	1.0
99.08105	1.0
104.10713	1.8
105.06313	0.9
105.07028	20.2
107.04939	2.3
107.08600	17.5
109.06506	2.3
109.10159	25.5
111.08062	0.9
113.06009	1.5
116.56647	0.6
117.07022	2.5
119.08588	5.2
121.06497	1.0
121.10134	2.8
123.07997	1.0
123.11685	4.8
125.00009	22.4
127.07536	1.8
129.06990	1.5
131.08577	4.1
133.10133	33.5
135.08055	0.9
135.11691	3.6
137.09648	1.3
143.08502	0.8
145.10114	2.9
147.11679	2.2
149.09599	2.4
149.13245	2.3
151.11180	15.8
157.10152	1.0
159.11681	3.0
161.09647	1.2
163.11186	1.6
163.21906	0.7
169.12260	2.8
173.13188	0.8
177.12764	1.2
179.10670	0.8
179.14372	0.8
184.07349	100.0
185.07683	1.6
187.11137	0.8
195.13832	0.8
197.11659	0.7
215.12769	1.8
227.12759	1.1
239.17892	1.0
253.14363	67.1
254.14709	2.1
255.15881	1.6
257.19034	1.8
269.17511	6.3
271.15411	15.0
275.20099	7.9
281.65158	0.6
347.18237	0.7
349.23764	4.7
367.24628	1.0
403.23117	0.7
407.34503	0.7
447.27399	1.6
451.26883	7.0
465.28503	30.9
466.28448	1.2
497.45511	0.7
503.70203	0.9
527.33771	1.2
545.34766	9.2
563.35791	2.5
609.33063	0.9
710.43610	3.2
760.43384	2.0
761.40051	1.0
761.85547	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54617	0.6
53.73038	0.7
56.96333	0.8
56.96568	8.9
59.06294	0.6
69.03444	3.9
70.24509	1.4
70.24911	1.6
81.03413	2.3
84.96054	5.1
85.02908	5.7
97.02882	2.3
98.97588	68.8
109.02868	1.0
110.97577	31.6
112.99136	1.2
116.98633	21.2
124.99124	2.4
127.00723	0.9
127.03931	3.3
128.98613	25.1
131.00218	1.4
134.99640	3.0
136.99045	0.8
140.98605	7.3
143.00168	13.7
143.01884	1.4
145.01709	0.9
145.04951	1.6
146.99666	8.8
152.00249	1.1
152.97522	0.7
152.98595	4.8
153.01836	6.7
155.00188	0.7
158.99664	26.5
161.01237	7.4
161.02711	1.2
165.01910	1.1
170.99663	43.9
173.01361	1.1
173.02823	0.9
174.99081	0.8
177.00717	14.5
182.99661	25.3
185.02875	1.3
189.00723	30.3
191.03830	2.3
193.01366	1.6
194.99744	1.2
195.01814	1.4
200.02451	0.9
200.04375	1.7
201.00723	55.6
202.00999	1.0
203.02272	0.9
205.54739	0.7
207.01740	2.2
212.02287	0.8
213.00761	4.8
219.01788	43.4
221.00804	1.3
222.01251	0.7
231.01634	6.3
237.02829	18.7
242.03453	1.2
243.01770	26.4
244.99635	0.9
245.05116	2.9
246.05249	0.8
254.99466	2.9
255.04013	1.0
260.04089	0.9
261.02844	100.0
262.03317	1.5
263.00757	0.7
271.03085	1.6
272.06537	2.8
273.00400	1.9
273.02856	7.5
273.08200	0.7
277.03403	2.6
279.03903	40.8
281.07162	6.0
281.57184	1.7
291.03909	14.3
297.05020	0.9
302.05453	2.1
303.01028	1.6
309.05057	1.0
321.04984	33.3
330.00769	0.7
333.04880	6.2
351.05963	10.4
362.09586	3.9
362.59631	1.4
363.06131	1.3
381.07056	18.4
399.08109	13.7
417.04733	84.4
418.05228	1.6
423.08307	1.0
435.05750	6.6
441.09201	88.1
442.09457	2.8
453.09137	3.0
458.07327	1.2
471.10138	3.1
501.11539	6.1
543.12146	1.7
576.07269	0.8
605.45441	0.7
723.18170	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	760.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
54.36021	0.6
55.01878	4.9
55.05268	0.8
55.05516	13.3
56.05026	0.7
57.03442	8.4
57.07080	1.3
58.06580	0.8
58.60459	0.6
58.99842	0.6
59.04977	0.9
60.08165	6.1
61.02923	2.4
65.03933	2.3
67.05509	43.0
68.05833	1.1
69.03421	2.8
69.07072	24.5
71.01345	2.0
71.04998	3.7
71.07384	3.2
71.51756	0.6
71.52122	0.8
73.02914	1.3
77.03925	0.7
79.05495	33.7
81.03429	5.8
81.07060	29.8
81.56906	0.6
82.07403	1.1
83.04981	5.9
83.08623	4.4
85.02892	3.4
85.06534	2.4
86.09711	30.9
87.10055	1.1
91.03947	1.0
91.05489	26.3
93.07049	34.3
94.07378	0.8
95.04978	6.9
95.08611	16.5
97.02880	2.8
97.06541	15.3
97.10179	6.6
98.98479	3.5
99.04457	1.2
99.08117	1.9
103.05488	1.1
104.10775	2.9
105.04494	1.2
105.07036	15.7
106.07320	0.7
107.04980	5.4
107.07875	1.2
107.08599	20.2
108.08925	0.9
109.02923	0.7
109.06525	2.5
109.09468	1.1
109.10165	14.3
111.08093	3.1
115.05452	1.4
117.07027	7.8
119.04967	0.9
119.07797	1.2
119.08585	13.6
121.06526	3.1
121.10166	6.6
123.08064	2.3
123.11692	1.0
125.00014	18.1
125.09630	2.7
127.03934	1.4
129.05568	0.8
129.06995	2.6
130.07825	0.6
131.08575	6.1
133.06628	0.6
133.10149	10.6
134.10431	0.8
135.08058	1.7
135.11702	26.6
136.12013	0.8
137.09613	8.1
139.11209	0.7
141.06972	1.3
143.08571	2.3
145.10132	10.6
147.08043	0.8
147.11725	4.4
149.09647	9.2
149.13261	1.7
151.11154	1.8
153.12787	1.6
155.08598	0.8
155.10703	0.9
157.10222	1.3
159.11687	5.2
161.09567	1.3
161.13226	3.5
163.11201	7.9
165.09261	0.9
169.10146	1.4
171.10280	0.9
171.11653	1.3
173.11752	3.7
173.13289	2.5
175.11230	1.5
177.12802	1.5
179.14310	1.8
181.12268	6.2
183.11734	1.4
184.07353	100.0
185.07698	3.2
185.13278	1.1
186.07750	0.9
187.11186	0.8
189.11226	1.0
195.11789	0.8
195.13762	1.3
197.13277	0.9
207.75667	0.6
211.13327	0.7
227.12788	1.9
229.14326	2.1
229.19342	0.7
239.17981	1.1
247.20470	0.9
252.19531	0.7
253.14200	0.9
255.15904	27.3
256.16315	0.7
257.19055	4.6
259.20502	0.8
267.15799	0.8
269.17462	1.6
270.17883	1.1
271.15323	1.0
273.18652	1.2
275.20068	15.1
291.19595	2.9
293.21118	1.3
349.23779	11.7
350.24344	0.9
351.21591	3.9
365.23138	0.8
409.25922	12.0
433.29596	4.1
449.29147	1.0
453.87268	0.6
463.30389	0.7
465.30289	0.9
477.28812	0.9
511.34543	0.8
529.35272	20.8
530.35480	1.1
545.37677	1.0
547.35938	2.2
672.34875	1.5
726.42883	0.9
760.42706	1.0
761.40997	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	759.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54617	0.6
53.73038	0.7
56.96333	0.8
56.96568	8.9
59.06294	0.6
69.03444	3.9
70.24509	1.4
70.24911	1.6
81.03413	2.3
84.96054	5.1
85.02908	5.7
97.02882	2.3
98.97588	68.8
109.02868	1.0
110.97577	31.6
112.99136	1.2
116.98633	21.2
124.99124	2.4
127.00723	0.9
127.03931	3.3
128.98613	25.1
131.00218	1.4
134.99640	3.0
136.99045	0.8
140.98605	7.3
143.00168	13.7
143.01884	1.4
145.01709	0.9
145.04951	1.6
146.99666	8.8
152.00249	1.1
152.97522	0.7
152.98595	4.8
153.01836	6.7
155.00188	0.7
158.99664	26.5
161.01237	7.4
161.02711	1.2
165.01910	1.1
170.99663	43.9
173.01361	1.1
173.02823	0.9
174.99081	0.8
177.00717	14.5
182.99661	25.3
185.02875	1.3
189.00723	30.3
191.03830	2.3
193.01366	1.6
194.99744	1.2
195.01814	1.4
200.02451	0.9
200.04375	1.7
201.00723	55.6
202.00999	1.0
203.02272	0.9
205.54739	0.7
207.01740	2.2
212.02287	0.8
213.00761	4.8
219.01788	43.4
221.00804	1.3
222.01251	0.7
231.01634	6.3
237.02829	18.7
242.03453	1.2
243.01770	26.4
244.99635	0.9
245.05116	2.9
246.05249	0.8
254.99466	2.9
255.04013	1.0
260.04089	0.9
261.02844	100.0
262.03317	1.5
263.00757	0.7
271.03085	1.6
272.06537	2.8
273.00400	1.9
273.02856	7.5
273.08200	0.7
277.03403	2.6
279.03903	40.8
281.07162	6.0
281.57184	1.7
291.03909	14.3
297.05020	0.9
302.05453	2.1
303.01028	1.6
309.05057	1.0
321.04984	33.3
330.00769	0.7
333.04880	6.2
351.05963	10.4
362.09586	3.9
362.59631	1.4
363.06131	1.3
381.07056	18.4
399.08109	13.7
417.04733	84.4
418.05228	1.6
423.08307	1.0
435.05750	6.6
441.09201	88.1
442.09457	2.8
453.09137	3.0
458.07327	1.2
471.10138	3.1
501.11539	6.1
543.12146	1.7
576.07269	0.8
605.45441	0.7
723.18170	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	758.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.7
55.01883	1.3
55.05514	15.9
57.03447	6.6
57.07072	3.0
59.04985	1.7
60.92252	0.9
61.02917	2.7
65.03925	2.9
67.05508	75.1
68.05830	1.0
69.03426	1.8
69.07072	13.1
70.90374	2.6
71.04996	21.8
77.03918	1.1
79.05498	38.5
80.05796	1.0
81.03423	1.3
81.07061	100.0
83.04972	3.8
83.08624	8.3
85.02915	3.2
85.06551	7.9
86.09711	1.7
89.11607	0.9
91.05485	31.3
93.07048	42.6
93.07644	2.1
95.04971	3.7
95.08617	28.8
97.02875	1.2
97.06544	5.6
97.10167	2.8
99.08080	1.8
105.04507	2.0
105.07039	18.3
107.08600	24.8
109.06495	1.7
109.10152	15.8
111.08101	1.6
117.07031	4.4
119.08574	9.9
121.10167	15.3
123.08108	1.5
123.11714	13.2
131.08575	8.9
133.10138	20.2
135.11716	10.2
143.08554	1.4
145.10127	4.8
145.58871	0.8
147.11700	4.0
149.13306	6.1
151.11195	6.5
159.11688	7.6
161.13252	2.8
169.12227	1.6
173.13266	2.7
175.14835	1.3
177.12851	1.4
183.11827	1.1
183.13826	3.8
184.07283	4.8
187.13309	3.3
187.14853	1.8
195.13863	1.4
197.13188	0.9
201.14841	1.8
227.16496	2.4
243.15926	1.0
243.21167	1.2
251.63033	1.0
257.17487	2.7
261.22183	2.3
269.17487	4.8
297.47006	1.0
301.20090	19.3
335.25803	22.1
354.62943	1.0
411.32227	1.4
437.33804	2.4
485.36301	3.9
491.36957	1.0
503.37344	82.1
504.37598	3.9
517.38733	2.7
529.38983	13.0
530.38794	1.4
561.41516	72.5
562.41711	4.4
657.26666	1.0
787.51221	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01881	8.2
55.05515	23.5
56.74460	1.2
57.03443	14.0
57.07071	2.5
60.06419	1.3
61.02923	2.5
65.03937	2.9
67.05509	74.2
69.03426	5.8
69.07076	31.7
69.97060	6.6
71.01369	1.7
71.04981	7.5
73.02929	2.7
79.05499	64.3
81.03429	11.2
81.07061	100.0
83.04990	12.9
83.08620	20.4
85.02905	4.7
85.06553	5.5
86.09727	6.6
91.05483	39.9
93.07049	79.5
95.04976	9.1
95.08614	35.6
97.02906	3.4
97.06542	22.9
97.10172	7.8
98.06867	1.8
99.04446	1.9
99.08095	3.3
105.04500	1.8
105.06396	2.7
105.07036	28.7
107.04958	8.6
107.08602	48.1
109.02882	2.2
109.06528	6.4
109.10180	11.0
111.04456	1.4
111.08107	8.4
111.11754	1.7
113.09673	1.3
117.07027	18.2
119.08589	17.6
121.06520	4.8
121.10143	28.0
123.11699	4.5
125.00009	4.6
125.09643	5.2
127.03947	1.7
129.07016	5.1
131.08589	20.6
133.10147	24.4
135.08060	4.6
135.11694	14.5
137.09633	3.5
139.11201	2.6
143.08644	2.7
145.10136	10.4
146.82698	1.8
147.11700	12.0
148.46947	1.3
149.09651	12.2
149.13268	34.2
151.11240	3.0
157.10152	3.0
159.11705	20.8
161.09648	1.4
161.13283	4.5
163.11223	7.4
165.12709	1.7
169.10059	1.7
171.11664	3.9
173.04523	1.6
173.13286	3.5
175.11182	2.2
177.12758	9.2
179.14336	1.9
183.11841	3.1
184.07349	20.3
189.11230	2.2
193.12259	2.8
195.13809	18.9
197.13347	1.8
211.13290	1.8
213.14787	1.8
227.12756	8.5
239.18024	1.9
247.20578	2.1
251.16548	1.4
255.15880	5.7
257.19012	9.8
259.20605	2.9
267.16080	2.7
269.17505	96.5
270.17838	3.0
275.20074	28.6
276.20493	1.5
285.16949	2.8
292.76886	1.5
293.21094	2.9
331.22754	2.6
333.24326	3.2
349.23828	17.8
367.24902	2.6
423.27512	2.4
428.09015	1.6
439.26898	1.7
447.30911	2.1
449.29016	29.1
463.30585	98.9
464.30975	5.0
525.35791	2.4
543.36823	42.0
561.37891	6.7
607.34497	2.6
730.90009	1.7
758.47913	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.8
54.56399	1.2
55.01871	5.3
55.05517	19.7
57.03440	14.4
57.07056	2.0
61.02926	2.3
65.03938	3.6
67.05508	76.0
69.03432	4.6
69.07076	27.5
71.04995	7.3
73.02905	1.6
77.03937	1.8
79.05498	53.7
81.03423	14.0
81.07061	91.8
83.04991	10.3
83.08622	16.3
85.02911	7.1
85.06545	6.0
86.09704	3.4
89.11290	1.5
91.05483	39.6
93.07047	64.8
95.04961	8.5
95.08613	27.5
97.02891	3.8
97.06531	16.4
97.10190	3.3
98.20772	2.8
99.04469	1.4
99.08096	3.9
105.04531	1.2
105.07040	26.7
107.04964	6.5
107.08604	41.1
109.06548	7.1
109.10153	10.4
109.10804	1.4
111.08070	9.2
115.05478	2.2
117.07023	15.6
119.08603	17.5
121.06526	5.0
121.10165	19.9
123.08057	4.4
123.11723	3.6
124.26066	1.5
125.00037	2.3
125.09641	4.0
127.03928	1.8
129.07031	4.3
131.08583	16.2
133.10139	23.9
135.08081	3.9
135.11693	14.1
143.08533	1.7
145.10127	11.8
147.11670	7.6
149.09644	7.8
149.13260	27.6
151.11203	6.8
157.10133	1.8
159.11697	19.1
161.13258	2.8
163.11194	5.8
167.14293	1.7
169.10129	2.4
171.11729	2.6
173.04488	2.3
173.13281	3.1
175.11214	1.5
177.12773	8.1
179.14378	2.3
181.09981	1.8
184.07367	9.5
185.13290	1.7
189.11287	3.0
193.12315	3.1
195.13821	16.7
197.13266	1.6
211.13327	1.9
213.14925	2.1
224.48866	1.2
227.12790	4.1
229.19698	2.2
239.17969	2.0
251.16179	1.5
253.14357	11.5
255.15938	5.7
257.19019	6.8
259.20493	1.6
267.15857	3.8
269.17496	79.5
270.17725	1.6
271.15527	1.8
275.20053	18.0
285.17004	3.8
293.21146	3.3
329.21445	1.4
331.22775	1.5
349.23767	20.1
351.25339	2.1
395.65897	1.3
445.29230	1.8
449.29153	29.8
463.30569	100.0
464.30774	5.4
503.33862	1.8
515.36597	1.7
525.35870	1.7
543.36920	28.6
544.37628	2.1
561.36969	5.3
607.34668	3.7
672.53387	1.5
759.38293	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	758.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.0
55.01875	6.7
55.05513	27.3
57.03442	15.1
60.08161	7.2
65.03932	3.2
67.05507	54.4
69.03430	5.3
69.07069	16.8
70.63771	4.8
71.04965	3.9
71.07372	6.0
79.05495	50.1
81.03422	37.5
81.06585	4.3
81.07060	66.1
83.04992	16.0
83.08621	25.2
85.02905	16.6
85.06534	3.6
86.09708	34.5
91.05486	63.0
93.07049	49.3
95.04984	22.6
95.08610	27.0
97.02901	4.3
97.06540	10.1
97.10179	13.3
98.98473	4.7
100.03737	2.1
103.05445	2.8
104.10760	3.0
105.07040	52.9
107.04955	7.0
107.08597	36.4
109.06548	5.0
109.10175	14.5
111.08040	9.7
115.05479	3.7
117.07027	15.6
119.08583	42.9
121.10148	19.0
123.08100	2.9
123.11745	5.1
125.00011	24.5
125.09649	9.6
128.06250	3.2
129.07018	16.0
131.08588	23.3
133.10143	31.0
135.08055	3.0
135.11693	15.6
137.09557	2.5
142.07813	4.7
143.08572	9.0
145.10124	16.7
147.11694	29.4
149.09605	6.5
149.13251	11.6
157.10190	13.3
159.11693	13.4
161.13254	12.7
163.11172	2.9
169.10173	3.2
171.11691	7.6
173.13222	4.4
175.11224	8.1
175.14783	5.7
177.12697	2.8
183.11626	2.7
184.07350	100.0
185.07816	2.5
185.13287	5.6
189.11212	5.2
192.99658	2.0
193.12277	20.4
199.14871	5.4
211.13255	26.3
211.14943	2.2
227.12799	16.0
241.19531	10.0
257.19043	4.0
259.20587	28.3
267.15860	13.2
269.17435	21.2
275.20193	12.7
283.15326	3.3
285.16946	31.0
315.23334	3.0
333.24298	27.2
349.23788	9.0
439.27078	6.9
449.28778	2.4
451.32037	4.2
463.30542	3.6
469.33347	2.5
507.33972	2.1
515.36798	2.9
525.35797	12.3
543.36786	51.7
543.54449	2.1
544.37256	3.3
561.37476	4.0
571.92590	2.2
758.42963	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	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
54.61507	1.7
55.01873	10.3
55.05276	1.9
55.05517	27.4
57.03444	20.7
57.07077	1.8
58.82024	1.7
61.02922	5.9
62.65455	1.4
65.03945	2.1
67.05508	65.3
69.03425	6.8
69.07080	18.5
70.63084	3.4
70.63422	1.7
71.04990	2.8
73.02911	8.7
78.94946	1.4
79.05499	48.6
81.03417	16.7
81.07064	57.1
82.03767	1.8
82.04196	3.9
82.07396	2.1
83.04978	11.9
83.08627	14.1
85.02899	7.9
85.06559	2.9
86.09715	4.9
91.03952	2.7
91.05491	33.7
93.07050	44.1
95.04961	13.2
95.08611	37.5
95.09179	3.1
95.60318	1.4
97.02886	6.2
97.06545	7.7
97.10177	13.0
98.07333	4.4
99.08119	2.4
105.04517	2.4
105.07035	20.8
107.04960	3.4
107.08598	30.3
109.06525	4.5
109.10162	21.4
111.08066	6.0
111.79058	1.6
112.34447	1.4
116.04712	12.5
117.07033	9.7
119.08593	18.1
121.06488	2.9
121.10147	17.1
123.08079	4.8
123.11701	5.1
125.00031	1.6
125.09623	14.1
129.05499	30.2
129.07016	4.6
131.08572	10.8
133.10147	13.9
133.56212	1.6
135.08073	3.2
135.11696	13.7
137.09653	3.8
137.13239	1.8
143.07057	8.4
143.08578	2.2
145.10126	10.7
147.11691	9.1
147.12688	1.6
149.09637	2.7
149.13240	5.0
153.09129	1.6
156.93629	1.6
157.08598	15.2
157.10135	5.8
159.11685	6.7
161.13165	3.5
163.11185	5.6
163.14848	2.4
171.10175	5.9
171.11604	2.2
173.13280	5.1
175.11150	3.9
183.11555	2.0
184.07336	11.2
185.13293	1.8
189.11238	6.6
193.12250	8.1
197.13303	2.1
199.13298	3.5
201.14838	1.8
209.11617	1.9
211.13246	2.6
215.95338	1.6
227.12772	11.6
243.21143	3.4
259.20636	1.9
261.22128	9.6
267.15985	6.4
269.16965	1.5
271.27139	1.6
277.21655	3.9
283.15256	4.1
301.16476	100.0
302.16895	3.2
317.24805	2.0
320.35742	1.7
335.25809	71.1
336.26190	5.4
484.20538	1.8
527.37256	4.6
529.38391	2.0
543.36786	3.2
561.37830	39.2
562.38226	1.8
593.36859	2.6
641.80713	2.1
742.75421	1.6
751.05469	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
53.03945	7.2
55.01880	13.4
55.05516	37.3
57.03445	25.0
57.07069	6.5
60.13480	1.9
61.02943	8.6
61.03212	2.2
65.03946	3.4
65.97703	1.8
67.05509	94.3
69.03431	6.9
69.07071	23.9
69.73974	11.4
71.04990	5.8
73.02914	6.0
74.63956	1.5
79.05497	65.5
81.03420	22.7
81.07063	76.7
82.04205	4.4
83.05002	14.7
83.08623	16.4
85.02908	8.2
85.06547	4.8
91.03990	2.2
91.05484	50.9
91.08224	2.0
93.07052	69.9
93.07639	3.8
95.04967	23.2
95.08614	60.5
97.02917	5.7
97.06535	8.1
97.10183	14.1
98.07352	4.6
98.20831	3.1
99.08086	2.9
103.05497	1.9
105.07034	31.8
107.04961	5.9
107.08602	37.8
109.06528	4.5
109.10161	25.7
111.08076	6.1
116.04731	10.5
117.07057	11.2
119.08583	24.7
121.06501	2.1
121.10158	25.9
123.08046	6.3
123.11698	7.7
125.09621	16.2
129.05507	29.3
129.07016	6.9
131.08580	18.2
133.10127	16.6
135.08064	4.6
135.11702	18.7
137.09624	2.5
143.07051	8.8
143.08556	2.0
145.10103	14.8
147.11687	14.4
149.09686	3.0
149.13274	8.2
153.09126	1.8
157.08615	13.7
157.10147	6.3
159.11702	8.8
161.13284	5.6
163.11217	4.5
163.14841	3.4
171.10246	6.2
173.11905	2.3
173.13306	6.8
175.11192	4.4
183.11697	2.0
184.07362	3.7
185.13286	2.4
187.14862	2.4
189.11235	4.6
193.12254	8.2
197.63243	1.6
199.13298	5.9
199.14970	3.1
200.14059	2.9
209.11731	4.3
211.13284	6.1
227.12810	8.1
229.14351	3.2
243.21114	5.9
255.16243	2.1
259.20578	3.5
261.22134	13.4
267.15927	7.0
277.21689	5.9
283.15430	10.6
285.16879	2.4
301.16473	69.1
317.24719	2.7
335.25818	100.0
336.26123	4.5
337.26846	2.2
359.49832	1.7
525.35352	2.1
527.37256	5.9
543.36676	10.3
545.38116	4.2
561.37909	85.0
562.38000	5.6
593.36646	3.3
623.41956	1.9
759.40100	2.7
771.59607	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	757.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01879	0.8
55.05517	3.7
57.03441	1.9
61.02931	3.8
65.03936	0.6
67.05512	9.1
69.03439	2.6
69.07077	3.9
69.93257	0.4
71.05009	1.1
71.51800	0.3
73.02942	3.0
76.42860	0.4
79.05500	9.1
81.03436	3.0
81.07072	9.7
83.04979	2.1
83.08630	1.7
85.02914	3.4
85.06550	0.8
86.09731	1.7
91.03972	1.4
91.05488	8.2
93.07054	8.4
94.07429	0.6
95.01356	0.7
95.04979	2.5
95.08614	5.6
96.66004	0.5
97.02908	3.5
97.06548	1.9
97.10188	0.8
99.04494	0.9
99.08104	0.5
101.02390	1.8
105.07048	6.4
107.04977	1.8
107.08620	5.0
109.02904	0.7
109.06532	1.4
109.10175	2.2
111.04462	0.6
111.08108	0.7
113.09649	0.5
113.41920	0.4
117.07032	2.6
119.08582	4.7
121.06554	0.6
121.10143	2.3
123.08096	1.3
123.11741	0.7
125.00027	1.5
125.09633	0.6
127.03912	0.6
129.07034	1.5
131.08594	2.4
133.10153	3.5
135.11731	1.4
137.09615	0.6
143.08603	1.1
145.10138	3.0
147.11728	3.0
149.09659	1.1
149.13326	0.7
151.11343	0.5
159.11731	1.4
161.09695	0.9
161.13309	1.4
163.11230	1.2
171.11771	1.3
177.12987	0.5
179.14406	1.1
184.07349	5.8
184.08754	0.5
185.13292	0.5
202.87720	0.4
203.05240	0.6
207.13902	0.5
227.12862	0.7
243.08524	1.7
247.13251	1.2
275.20047	2.1
281.17569	0.5
283.15469	0.8
293.21313	0.5
299.15051	1.1
300.15399	0.6
301.16672	0.7
309.56546	0.5
315.19418	3.1
335.25983	3.1
336.26111	0.6
352.28616	0.5
359.83530	0.4
371.22000	0.9
446.30884	0.5
465.21021	9.3
533.27222	7.0
543.36768	1.1
548.07935	0.4
560.36450	0.6
561.37708	1.0
757.41382	100.0
758.41852	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	757.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.3
55.01874	0.2
55.05501	0.3
57.03448	1.2
61.02919	0.5
68.99809	0.2
69.03426	1.0
71.05000	7.9
71.17071	0.3
72.11874	0.2
73.02917	0.3
75.04491	0.2
81.03405	0.4
83.04978	0.5
85.02913	11.1
87.04481	0.3
95.05051	0.2
97.02908	1.2
99.04423	0.2
102.04041	0.2
107.04875	0.3
109.02886	0.5
110.34021	0.2
111.00780	0.5
111.04414	0.2
114.18951	0.2
121.02883	1.8
127.03905	0.6
129.05496	2.2
133.02826	0.4
137.02351	0.7
145.04962	0.5
145.06497	0.2
147.04402	0.5
147.06552	0.4
153.01831	2.9
165.01871	1.3
183.02930	0.4
185.06067	0.2
200.67819	0.2
213.05400	0.9
231.06490	0.4
241.05048	0.8
258.05219	0.5
259.06018	0.4
277.03616	0.2
287.05518	100.0
288.05859	2.5
303.01547	0.3
303.04965	3.2
329.06564	0.4
449.10825	19.7
450.10953	0.6
457.99014	0.2
743.81415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2188
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.03934	0.3
55.01874	0.2
55.05501	0.3
57.03448	1.2
61.02919	0.5
68.99809	0.2
69.03426	1.0
71.05000	7.9
71.17071	0.3
72.11874	0.2
73.02917	0.3
75.04491	0.2
81.03405	0.4
83.04978	0.5
85.02913	11.1
87.04481	0.3
95.05051	0.2
97.02908	1.2
99.04423	0.2
102.04041	0.2
107.04875	0.3
109.02886	0.5
110.34021	0.2
111.00780	0.5
111.04414	0.2
114.18951	0.2
121.02883	1.8
127.03905	0.6
129.05496	2.2
133.02826	0.4
137.02351	0.7
145.04962	0.5
145.06497	0.2
147.04402	0.5
147.06552	0.4
153.01831	2.9
165.01871	1.3
183.02930	0.4
185.06067	0.2
200.67819	0.2
213.05400	0.9
231.06490	0.4
241.05048	0.8
258.05219	0.5
259.06018	0.4
277.03616	0.2
287.05518	100.0
288.05859	2.5
303.01547	0.3
303.04965	3.2
329.06564	0.4
449.10825	19.7
450.10953	0.6
457.99014	0.2
743.81415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2186
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
52.75727	0.3
53.03905	0.3
55.05508	0.5
57.03436	2.5
61.02915	0.7
67.05477	0.3
68.99783	0.4
69.03421	1.4
69.16250	1.8
69.16664	1.6
71.04997	13.6
73.02908	1.3
75.04496	0.5
81.03403	0.7
81.19955	0.3
83.04985	3.3
85.02909	17.5
87.04459	0.8
87.19022	0.3
91.03932	0.9
95.04996	0.6
97.02885	1.2
98.21529	0.6
98.38190	0.3
99.04475	0.5
109.02914	0.7
111.00798	0.5
111.04458	2.4
116.32921	0.3
117.05513	0.6
121.02869	0.8
122.18547	0.4
123.04401	0.5
127.03912	1.1
129.05496	5.6
132.29491	0.3
137.02348	2.9
147.06531	2.0
149.02368	0.6
153.01857	2.7
153.05470	0.7
157.04974	0.3
163.03964	0.6
163.06085	0.6
165.01831	2.3
171.06595	0.4
183.02939	0.4
201.05460	1.2
201.07423	0.3
229.05014	3.9
239.09206	1.0
257.04489	2.4
274.04855	0.4
275.11307	0.5
285.03958	1.1
303.05008	100.0
304.05362	2.8
315.04904	0.5
345.06119	1.2
355.04385	0.3
369.06006	0.6
449.10803	1.5
465.10001	1.7
594.65234	0.4
696.11292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.7
55.01860	5.4
55.05515	21.9
57.03438	19.0
57.07069	2.3
59.04998	2.3
60.08168	2.6
61.02906	1.6
65.03931	3.4
67.05507	73.6
68.05831	1.6
69.03416	4.2
69.06736	1.2
69.07069	15.7
70.10371	4.6
71.01346	1.2
71.04973	4.8
71.07351	1.5
71.08643	1.7
73.02926	1.4
78.97958	1.1
79.05497	50.4
81.03419	94.9
81.07058	68.8
83.04974	6.3
83.08167	1.6
83.08624	23.7
84.08952	1.2
85.02899	3.2
85.06538	3.1
86.09708	9.3
91.04910	2.3
91.05483	41.3
93.07047	51.3
95.04971	28.8
95.08608	46.2
97.02885	3.1
97.06518	5.1
97.10179	7.2
98.08885	1.3
98.98496	1.7
99.04479	1.1
99.08033	1.3
103.05464	1.4
105.04507	1.7
105.07030	30.0
107.04960	9.0
107.08594	32.3
109.02904	1.5
109.06533	5.8
109.10163	21.7
110.10484	1.4
111.04427	2.7
111.08072	8.1
115.05428	1.8
117.07025	9.1
119.04912	2.0
119.08588	27.7
121.06496	3.6
121.09324	2.0
121.10145	25.2
123.04406	1.4
123.08077	3.6
123.11694	7.0
125.00031	7.0
125.09618	5.7
129.07011	13.5
131.08578	22.0
133.06480	2.9
133.10141	18.7
135.08043	2.9
135.11681	13.1
137.09612	3.0
142.07793	3.4
143.08585	2.4
145.10120	12.3
147.08043	4.8
147.11678	12.2
149.09624	7.0
149.13242	7.2
155.08591	2.2
157.10152	12.1
159.11699	7.9
161.13260	7.0
163.11162	3.1
163.14830	3.4
165.12715	1.7
169.10059	2.2
171.11639	3.5
173.11909	1.2
173.13261	5.0
175.11183	9.4
175.14830	2.6
184.07355	33.2
185.13222	2.9
187.14822	3.6
189.11205	3.4
193.10654	2.1
193.12270	23.5
211.13196	2.5
227.12645	6.2
229.14259	2.7
235.13383	1.5
243.21043	5.4
249.14818	3.0
261.22192	18.2
267.15924	100.0
268.16260	2.9
275.19635	1.5
279.23126	1.5
285.16879	1.6
299.14722	1.7
299.18063	1.3
301.14258	1.2
301.25259	7.9
317.24835	4.0
333.24509	1.6
335.25800	86.0
336.26184	4.0
392.24362	1.2
421.25705	3.1
435.27188	2.6
435.32465	6.5
453.33649	9.1
471.34436	3.9
527.37274	56.9
528.37677	3.3
545.30573	2.3
545.38391	33.5
546.38428	2.4
559.39130	1.5
569.38318	4.0
581.53644	1.3
757.06573	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.4
55.01878	19.9
55.05513	23.3
57.03437	13.0
57.07081	3.2
65.03905	2.6
67.05183	3.8
67.05509	50.2
69.03433	4.1
69.07072	28.6
70.69316	6.3
71.04993	6.0
73.02912	2.8
76.09590	2.5
79.05502	47.4
81.03426	50.9
81.07061	64.1
83.04987	14.7
83.08632	19.3
85.02902	21.4
85.06554	3.6
86.09657	2.6
88.51569	2.5
91.05483	69.6
93.07050	44.2
95.01325	8.5
95.04980	27.4
95.08615	36.1
97.02892	4.0
97.06538	30.6
97.10178	6.7
99.04482	2.5
99.08098	3.4
105.06323	5.1
105.07032	87.8
107.04958	17.5
107.08607	19.5
109.06480	6.1
109.10165	8.9
111.08079	10.3
115.05505	2.2
117.07021	14.7
119.08588	49.2
121.06536	3.8
121.10159	13.8
123.04408	3.2
123.08061	6.8
123.11727	5.5
125.09618	4.5
129.07034	12.5
131.08551	23.9
133.06577	2.4
133.10146	42.5
133.94252	2.6
135.08054	3.8
135.11696	7.1
137.09579	5.5
142.07759	3.7
142.98514	2.5
143.08575	4.1
145.10149	17.9
147.07994	3.7
147.11714	27.4
149.09631	10.9
149.13344	3.4
155.08614	2.8
156.74814	2.0
157.10138	11.7
159.11694	12.5
161.13271	8.7
163.11160	6.4
169.10118	4.2
171.11694	2.2
173.13455	2.2
175.11221	10.0
177.12817	4.8
179.14403	11.2
179.15691	2.2
183.11678	2.3
184.07370	8.5
193.12247	23.7
211.13306	29.1
215.17984	2.4
227.12650	2.5
239.17923	3.4
247.20610	3.0
257.19003	8.7
259.20633	2.5
267.15909	37.5
275.20078	81.7
285.16986	72.2
293.21109	6.1
349.23801	41.5
369.43008	2.9
541.35370	60.4
542.35468	3.3
559.36340	100.0
560.36707	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	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	3.0
53.03739	1.0
53.03940	5.8
55.01876	5.2
55.05271	1.7
55.05515	26.3
57.03194	1.3
57.03446	14.5
57.07071	2.5
59.04995	4.0
60.08165	1.9
61.02918	4.1
65.03953	3.2
67.05509	61.5
67.68087	0.9
68.08450	1.0
69.03423	3.1
69.07074	13.7
69.81590	5.0
71.01334	2.5
71.05000	2.2
71.07378	1.7
73.02917	3.0
75.48129	1.0
79.05495	42.0
81.03433	8.4
81.07063	58.0
83.05003	5.0
83.08620	16.4
85.02892	3.3
85.06538	2.7
86.09712	12.5
91.03993	1.3
91.04905	1.7
91.05486	41.2
93.07050	52.6
95.04979	8.6
95.08614	39.7
97.02884	7.9
97.06522	4.8
97.10187	4.1
98.98485	1.6
99.00819	16.6
99.08090	1.9
103.05453	1.7
105.04505	2.7
105.07037	29.7
107.04971	6.0
107.08602	28.4
109.02892	12.7
109.06515	4.4
109.10165	22.0
111.08097	4.5
115.03920	1.6
117.07014	8.6
119.07804	1.8
119.08593	19.1
121.06509	8.1
121.10147	19.3
123.04430	1.5
123.08074	2.5
123.11714	7.6
125.00040	9.5
125.09602	1.5
127.03925	2.9
128.06242	1.6
129.07030	3.0
131.08574	11.5
133.06447	1.7
133.10139	39.7
135.08089	1.9
135.11713	13.2
137.09595	2.4
139.07553	2.3
143.08551	6.1
145.06532	1.2
145.10121	8.2
146.07365	1.5
146.24733	1.1
147.08015	2.5
147.11736	5.4
149.09654	1.3
149.13289	4.8
151.11180	10.1
157.10010	1.2
159.11726	5.9
160.61224	1.0
161.09625	17.5
161.13319	2.8
163.11208	2.1
163.14838	2.8
165.12733	1.6
168.71024	1.1
171.08134	3.3
171.11769	1.5
173.13245	4.8
175.11247	1.3
179.10684	9.2
184.07350	44.1
187.14784	1.9
189.09151	8.1
197.11694	2.9
207.10191	3.8
225.11255	15.4
227.12819	1.8
243.12326	2.0
243.21109	5.6
261.22162	18.8
281.13864	4.4
299.14902	85.6
300.15015	2.3
315.23306	2.4
317.24747	2.9
335.25812	100.0
336.26178	2.5
449.30536	1.5
467.31461	4.6
479.29904	3.1
513.35492	3.8
531.36627	1.4
541.35278	9.6
559.36346	46.7
560.36414	2.3
577.36871	1.5
617.29877	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	3.6
53.03940	4.1
53.69467	1.2
55.01864	4.7
55.05271	1.9
55.05516	26.5
57.03442	11.9
57.07083	2.3
59.05003	1.6
60.08154	2.0
61.02918	5.1
65.03934	2.6
67.05510	56.2
69.06779	1.3
69.07075	13.4
71.01380	1.6
71.04985	3.3
73.02918	2.2
79.05501	40.9
81.03434	8.3
81.07063	56.9
83.04970	4.5
83.08627	13.4
85.02913	3.2
85.06541	1.6
86.09710	9.0
91.03972	1.5
91.05488	36.0
93.07049	46.5
94.14896	1.5
95.04974	6.7
95.08620	34.8
97.02901	6.5
97.06558	6.2
97.10164	3.6
98.20720	3.3
98.98521	1.4
99.00816	16.3
99.08091	1.8
105.04550	1.6
105.07043	28.9
105.07706	1.0
107.04982	7.6
107.08607	23.1
109.02898	11.7
109.06508	5.5
109.09483	1.7
109.10166	19.7
111.08086	4.1
115.03931	2.6
117.07039	10.5
119.08593	17.6
121.06514	7.0
121.10161	18.4
123.04453	1.8
123.08038	1.8
123.11707	5.4
125.00018	8.5
127.03902	3.6
128.06223	1.7
129.07001	3.2
131.08578	11.6
133.06532	1.7
133.09131	1.9
133.10139	37.5
135.08083	2.3
135.11711	13.8
137.13168	1.6
139.07526	3.5
143.08600	3.6
145.10135	5.6
147.08080	1.8
147.11694	6.1
149.13266	5.6
151.11205	11.6
159.11720	5.1
161.09615	16.7
161.13287	2.9
163.11174	2.5
163.14757	2.5
171.07933	2.9
171.11656	2.0
173.13248	6.7
175.69005	1.2
179.10704	7.9
184.07365	33.9
185.13300	1.4
187.14856	2.0
189.09065	9.2
193.12167	1.8
197.11743	2.8
207.10240	3.4
225.11238	16.2
225.88156	1.4
243.12227	3.0
243.21120	6.3
261.22156	19.0
281.13733	6.3
299.14911	90.9
300.15308	2.1
315.23019	1.9
317.24710	5.1
335.25818	100.0
336.26263	4.3
439.31882	2.9
467.31479	4.6
479.30087	4.2
485.32697	2.2
513.36090	1.7
531.36755	2.2
541.35370	8.8
543.03864	1.2
559.36365	46.1
560.36444	2.5
610.51373	1.3
629.71393	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
54.29193	1.4
55.01863	7.0
55.05514	30.0
57.03442	14.3
57.07075	2.3
59.05006	24.7
61.02925	4.3
61.94579	1.2
65.03938	3.7
67.05509	100.0
68.05824	1.4
69.03423	6.5
69.07075	11.1
70.06589	1.6
70.34000	1.3
71.04996	34.3
71.51353	1.6
71.51733	1.4
73.02937	2.2
79.05067	2.6
79.05501	32.2
80.05822	2.3
81.03424	15.5
81.07062	84.8
82.07400	3.1
83.04985	9.4
83.08630	16.1
85.02901	6.1
85.06552	11.0
86.09718	2.9
87.04475	28.6
91.05489	33.0
93.07050	23.1
95.04965	4.6
95.08601	16.2
95.09116	1.8
97.02906	5.1
97.06007	1.3
97.06527	8.0
97.10170	13.7
98.49187	1.4
99.04462	14.0
99.08118	1.4
104.12472	1.4
105.07047	20.2
107.04967	5.0
107.08606	18.6
109.06527	3.9
109.10162	52.2
111.04436	4.0
111.08096	5.7
117.07017	5.7
119.08606	8.7
121.06516	2.4
121.10152	8.1
123.11723	11.9
124.86676	1.5
125.09626	11.4
129.05435	1.4
129.07092	2.1
131.08560	6.4
133.10136	19.5
135.11714	6.2
137.09636	3.0
143.08585	1.9
145.10130	4.8
147.08142	2.0
147.11734	3.3
149.09612	3.0
149.13310	7.6
151.11172	9.3
155.10666	3.2
157.10222	1.5
159.11732	6.1
159.76370	1.4
163.11211	6.5
169.12265	2.5
173.09540	1.4
173.11757	11.3
177.12709	4.0
183.13809	6.1
184.07350	6.7
187.13287	6.2
189.11215	1.9
193.12212	4.2
195.13795	4.5
199.13269	5.8
201.14883	1.8
209.11755	2.5
211.13362	2.3
223.13382	2.6
227.12744	7.1
229.14366	16.5
241.14346	4.6
243.15831	2.0
255.15796	1.6
257.17548	3.9
267.16019	4.3
269.17578	8.5
275.20111	4.8
283.15475	2.9
285.17020	3.6
301.16733	2.9
301.20016	19.4
315.17987	6.1
329.19843	1.5
349.24014	1.7
350.23996	1.6
367.24808	11.8
397.25870	67.6
398.26224	2.5
399.27551	3.4
405.26450	1.8
411.27402	12.2
423.27448	13.8
425.29355	1.5
443.30292	6.9
451.26822	5.4
455.23550	2.4
455.30084	47.9
456.30362	1.9
483.29227	7.5
541.34448	1.6
559.35254	5.5
594.37921	1.6
615.65283	1.4
756.41809	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	756.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
55.01868	4.0
55.05516	29.3
57.03445	13.6
59.05006	23.0
60.08171	1.4
61.02917	3.2
65.03942	3.4
65.80550	1.1
67.05509	100.0
67.88451	1.2
69.03422	4.9
69.07077	9.4
70.57027	3.4
71.01350	1.2
71.05001	43.3
73.02893	2.3
79.05502	26.7
81.03420	9.9
81.07062	85.9
82.07371	2.4
83.05003	7.8
83.08620	15.3
83.78546	1.3
85.02921	7.5
85.06552	9.1
87.04477	33.0
91.05489	29.7
92.05804	1.6
93.07051	22.1
95.04987	5.8
95.08612	14.4
97.02882	5.0
97.06530	5.0
97.10176	12.7
99.04464	13.7
99.08105	2.1
105.07030	12.7
107.04945	3.6
107.08600	18.9
108.08931	1.4
109.02882	1.7
109.06516	3.5
109.10163	60.7
111.04414	2.2
111.08064	4.1
115.03932	1.5
117.07026	5.9
119.08580	7.4
119.80445	1.0
121.06572	1.8
121.10132	8.1
123.08077	2.1
123.11715	15.3
124.99968	1.6
125.09641	12.2
127.03907	2.1
129.07018	2.8
131.08598	6.5
133.10132	19.5
135.11662	6.5
137.09618	4.6
145.10101	1.8
147.11678	1.8
147.60179	1.1
149.13254	5.3
151.11188	8.4
153.12683	1.4
155.10652	4.4
159.11719	5.1
163.11179	3.4
169.12218	3.0
173.04482	2.2
173.09537	1.3
173.11778	11.1
177.12759	3.8
179.14223	1.3
183.13840	7.5
184.07367	4.5
187.13362	7.4
188.61275	1.5
191.10716	1.7
193.12276	2.6
195.13762	5.8
199.13321	5.4
201.14775	1.7
209.11703	4.0
210.12437	1.5
211.13248	2.3
213.14836	1.9
223.13261	1.4
225.14795	3.1
227.12782	5.4
229.14372	20.8
241.14319	4.4
243.15929	2.6
255.15909	1.2
257.13736	1.7
257.17477	2.8
267.15897	4.7
269.17432	8.5
275.20001	2.0
283.15448	2.7
285.16953	3.6
301.16806	2.5
301.20114	20.8
315.17990	5.6
318.06427	1.2
329.19669	1.8
367.24908	11.7
378.77420	1.2
388.89148	1.4
397.25879	86.5
398.26239	3.9
399.27335	1.5
405.26602	1.2
411.27426	11.0
423.27463	15.3
435.27237	2.8
436.41299	1.6
443.30121	7.4
451.27014	8.1
455.30090	56.0
456.30453	2.7
483.29742	8.6
484.42578	1.4
509.30771	1.2
559.34857	2.6
566.55225	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.2
55.05517	17.1
57.03441	8.3
61.80261	1.2
67.05508	17.9
69.03421	3.6
69.07064	5.1
71.04990	2.8
79.05497	22.8
81.03425	49.7
81.07059	21.7
83.04980	5.2
83.08631	16.4
85.06569	2.2
87.04471	1.5
91.05485	19.1
93.07048	19.0
95.04976	21.2
95.08612	10.3
96.02906	1.1
97.06533	3.5
97.10181	16.1
99.08063	1.3
105.07037	15.0
107.04962	15.5
107.08607	11.4
109.06522	9.5
109.10139	6.5
109.16601	1.1
111.08082	3.2
115.05450	2.5
117.07023	4.4
119.08579	11.7
121.06516	10.1
121.10145	8.8
123.04440	2.4
123.08080	2.4
123.11736	1.7
125.09630	14.9
129.07019	7.9
131.04953	2.5
131.08588	9.7
133.06491	4.6
133.10144	5.0
135.08087	4.4
135.11702	1.8
142.07832	1.5
145.06487	5.8
145.10153	5.5
147.04451	1.6
147.08067	2.5
147.11707	6.5
149.09624	5.6
153.09094	3.6
155.08514	2.1
157.10150	9.6
159.08044	2.4
159.11678	2.2
161.05968	1.2
163.11180	3.9
164.73677	1.2
167.08614	1.3
169.10095	2.4
171.08066	1.6
171.10190	2.9
175.11201	6.6
189.11234	4.9
189.12729	2.0
193.12276	15.1
195.11809	1.3
197.13293	1.9
199.11206	2.3
205.12079	1.3
210.47786	1.2
213.12729	1.9
215.14240	2.7
217.12340	2.3
219.13748	3.0
223.11273	1.5
223.13394	2.4
227.12714	2.9
231.13707	1.2
233.15376	4.8
237.12642	1.9
252.34564	1.3
255.13782	2.6
267.15939	39.3
273.14792	4.7
289.18182	1.2
339.23459	1.3
349.21683	3.6
357.24194	3.8
358.93707	1.3
367.22678	17.6
385.23776	25.3
403.24619	8.9
427.99420	1.4
441.26508	10.4
459.27438	100.0
460.27554	5.8
477.28522	86.0
477.35638	2.5
478.28632	3.3
491.29971	10.7
501.28769	1.9
509.30835	4.8
565.64288	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.2
53.45227	1.2
55.01880	18.2
55.05513	37.6
57.03438	24.5
57.07068	5.3
59.05005	41.0
61.02930	6.7
62.60476	1.3
62.64517	1.2
64.52969	1.2
65.03925	3.5
67.05509	100.0
68.05804	1.7
69.03436	8.9
69.07069	12.8
70.06584	1.2
70.30111	1.4
71.01347	1.6
71.05004	12.7
71.51847	1.4
73.02907	4.9
75.04529	1.1
79.05499	41.3
80.05825	1.4
81.03420	22.7
81.07058	39.1
82.04224	3.3
83.04984	18.5
83.08623	18.9
85.02915	9.3
85.06531	5.3
86.09696	1.4
87.04473	42.4
91.05492	30.0
93.07048	24.2
95.04968	15.5
95.08620	16.1
97.02921	9.6
97.06529	9.7
97.10180	27.4
98.07310	5.2
99.04457	13.6
99.08121	1.5
105.07035	9.9
107.04961	8.2
107.07893	1.7
107.08601	20.3
108.42670	1.2
109.02898	2.7
109.06518	5.2
109.10165	68.0
111.04459	5.2
111.08076	7.8
113.05983	1.8
115.03924	2.1
115.05431	1.4
116.04713	8.5
117.07034	6.7
117.73023	1.3
119.08578	17.1
121.06519	2.9
121.10165	7.4
123.08088	7.5
123.11704	2.1
124.99957	1.4
125.09644	25.0
127.03928	2.0
127.11192	1.8
129.05496	23.7
129.07018	5.7
131.08560	6.7
131.19994	1.4
133.10158	7.6
135.08051	4.2
135.11737	6.1
137.09605	5.6
141.06895	1.4
143.07040	6.6
143.10667	2.0
145.10129	9.2
147.08087	1.9
147.11678	5.1
149.09622	5.1
151.11186	1.2
153.01836	1.8
153.09164	1.7
153.12733	4.0
155.08569	1.6
155.10651	7.4
157.08609	12.1
157.10107	3.8
158.05740	2.6
163.11177	11.0
165.12814	1.6
171.06583	2.5
171.10164	4.5
173.09648	3.0
173.11737	22.2
175.11244	2.8
181.12236	3.3
184.07387	4.6
185.08151	1.7
189.11264	6.9
191.10715	2.5
193.12245	6.9
199.09654	2.2
199.13281	11.8
200.14072	4.1
209.11749	12.8
211.13316	3.2
217.14502	1.5
223.13300	2.9
227.12787	11.0
229.14369	51.0
230.14731	2.4
241.14366	3.9
242.14940	1.9
255.16037	2.1
265.14374	1.5
267.15958	15.4
283.15421	11.8
283.18799	2.5
284.16217	2.1
285.16937	1.8
287.18491	1.8
301.13370	2.4
301.16489	33.2
315.18118	4.2
319.32632	1.6
326.24423	1.6
383.24478	2.0
421.25900	4.9
425.25278	2.8
437.25504	3.7
438.26151	5.5
443.26279	2.3
451.26981	1.7
455.26318	29.5
459.27063	3.5
469.27719	1.5
477.28320	5.3
495.29269	1.8
514.20441	1.4
541.29987	12.6
542.30481	1.5
559.30878	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	755.5091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	12.8
55.01878	12.5
55.05516	43.6
57.03453	13.4
57.07093	13.8
57.07310	2.2
61.02909	3.4
65.03926	5.8
67.05514	100.0
69.03436	18.6
69.07070	37.5
71.04981	8.0
71.08643	13.1
71.52379	3.0
73.02926	5.8
75.93610	2.4
79.05498	81.0
81.03426	17.6
81.07063	90.7
83.04986	12.4
83.08617	23.0
85.02905	7.9
85.06551	6.4
86.09714	4.9
88.39312	2.4
91.04914	2.7
91.05490	86.6
93.07050	92.8
95.04974	21.8
95.08617	69.0
97.02906	11.3
97.06534	12.5
97.10184	11.6
99.04497	2.6
99.08123	6.5
103.03947	3.6
103.05505	4.6
105.04512	2.9
105.07041	67.6
107.04974	13.1
107.08607	45.0
109.02847	4.6
109.06538	12.1
109.10172	23.7
111.04446	6.4
111.08103	5.7
113.00040	10.3
115.05448	5.3
117.07027	31.9
119.04928	2.9
119.08598	46.1
121.06559	8.1
121.10174	31.5
123.08096	9.4
123.11722	6.4
125.00067	5.2
125.09621	4.0
127.03925	5.2
128.06255	10.5
129.07010	24.3
131.08586	42.8
133.06496	10.6
133.10135	32.5
135.08115	14.4
135.11703	26.6
137.09665	6.4
141.07005	7.9
142.07797	8.0
143.08588	26.7
145.06496	8.5
145.10135	39.4
147.08075	11.5
147.11688	17.5
149.09628	6.4
149.13248	12.3
151.11189	5.7
153.07002	4.6
154.07784	3.1
155.08586	15.6
157.06506	4.7
157.10172	22.8
159.08107	11.3
159.11716	26.7
161.09676	7.5
161.13257	9.4
163.11185	6.2
163.14815	3.6
165.07042	3.4
166.07823	2.7
167.08575	7.0
169.02708	4.8
169.10158	16.1
171.08070	7.0
171.11729	20.3
173.09692	7.5
173.13266	13.6
175.11200	5.5
175.14841	7.4
177.12764	8.4
179.08635	3.0
179.14296	12.5
181.10080	7.2
182.72777	2.7
183.08212	3.7
183.11725	12.2
184.07352	22.3
185.09656	6.0
185.13283	11.5
187.14865	5.8
189.12810	3.1
193.12340	2.9
195.08011	2.8
195.11778	6.9
197.09666	6.1
197.13290	8.2
199.11224	7.2
199.14833	6.4
201.12830	6.2
203.10507	2.5
209.13390	4.6
211.11215	3.6
211.14888	3.7
213.16399	2.8
221.13573	3.8
223.11217	3.5
223.14902	3.5
225.16507	3.4
237.12811	2.8
237.16527	3.1
237.22322	3.6
239.14632	2.6
243.21043	4.5
255.17467	3.7
257.18884	3.2
259.20642	10.4
261.22205	5.0
267.15781	2.6
271.20630	6.4
273.18579	12.9
275.20105	9.7
277.21844	13.1
285.22311	3.2
287.20334	3.2
289.21616	3.3
299.20035	3.7
301.21738	8.7
306.28036	3.6
307.28592	3.1
311.26083	5.9
313.21689	7.3
321.22165	5.0
325.21771	4.4
329.21085	6.2
331.26376	9.2
335.25824	36.7
337.21683	4.2
339.23230	6.5
343.22885	3.9
349.21487	6.9
351.23453	3.0
367.22516	14.7
375.25674	3.4
385.23578	15.7
387.28955	10.5
403.24814	8.2
433.72141	2.9
441.26416	9.7
459.27408	6.5
477.28610	5.1
535.98193	2.6
583.43640	49.1
584.43787	3.7
625.44879	3.6
635.46753	4.6
643.44287	16.5
677.47424	4.4
689.47760	5.7
701.47766	16.0
719.48938	13.7
737.49481	12.4
755.51038	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.4
55.01676	3.3
55.01875	35.2
55.05512	43.4
57.03434	15.8
57.07061	9.5
61.02907	10.6
65.03938	6.8
67.05508	100.0
69.03429	26.2
69.07072	38.1
71.04989	14.7
71.51652	4.6
73.02914	9.8
79.05494	84.6
81.03416	64.4
81.07061	97.7
81.39761	3.4
82.03699	3.4
82.04185	4.6
82.07446	4.2
83.04991	26.7
83.08619	23.5
85.02917	26.7
85.06546	10.5
91.04979	6.1
91.05489	78.2
93.07046	60.8
95.04964	37.2
95.08607	45.4
97.02888	22.5
97.06539	30.1
97.10187	20.3
99.04428	5.2
103.05457	4.2
105.04475	4.9
105.07032	68.4
107.04948	23.8
107.08583	41.0
109.02879	11.8
109.06518	14.3
109.10164	36.5
111.04446	11.7
111.08095	13.2
111.73831	3.5
116.04716	5.8
117.07040	20.5
119.08600	43.4
120.22772	4.5
121.06513	17.0
121.10141	25.4
123.08085	16.2
123.11702	11.5
125.09637	21.5
127.03938	11.2
128.06212	4.7
129.05470	10.6
129.07014	13.7
131.08577	29.5
133.06448	6.2
133.10155	34.8
135.08063	9.5
135.11732	18.2
137.09619	10.7
139.11243	4.3
141.06950	4.4
142.07800	4.3
143.07057	5.7
143.08586	5.8
145.10141	20.1
147.08040	10.0
147.11705	26.3
149.09622	26.0
149.13278	8.1
151.11203	7.3
155.08533	6.3
157.08708	3.7
157.10132	12.2
159.11674	15.0
161.09636	8.1
161.13255	7.4
163.11256	18.1
165.09099	4.3
165.12772	7.8
169.10213	5.7
171.10164	4.1
171.11678	3.9
173.04446	5.8
173.11736	8.0
173.13203	7.3
175.11200	15.2
177.12697	6.7
183.11739	5.8
184.07321	4.6
187.11093	4.8
189.11214	6.4
193.12225	18.0
197.13298	3.4
209.11678	4.7
211.13300	18.0
223.13242	5.4
227.12830	13.8
229.12170	4.6
229.14328	12.7
257.18970	4.6
267.15878	21.2
269.17654	4.4
273.18509	7.1
273.48914	4.0
275.20078	49.9
283.15414	5.8
285.16974	19.6
289.17776	3.8
291.19507	18.8
301.16580	24.5
349.23834	18.8
365.23218	13.1
398.60211	3.4
423.27692	5.7
439.26794	6.5
461.28928	5.9
488.27637	5.1
516.38989	3.7
539.33270	4.9
557.34717	10.7
575.35864	19.5
593.17151	3.5
593.36414	12.0
719.39673	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	754.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.0
56.05049	0.8
56.05260	0.1
57.03437	0.4
57.07084	0.8
58.06363	0.2
58.06630	0.5
58.83472	0.2
59.07384	0.2
59.76870	0.2
60.08168	5.8
61.65044	0.1
67.05511	2.5
69.03436	0.2
69.07075	0.7
71.05005	0.2
71.07373	3.0
71.08648	0.8
79.05505	1.3
81.07064	1.4
83.08614	0.3
83.70008	0.2
85.02928	0.3
85.10191	0.2
86.09708	29.1
88.07619	0.3
91.05473	0.8
93.07050	0.9
95.04980	0.2
95.08606	1.2
97.10177	0.6
97.99346	0.2
98.98465	3.1
104.10752	2.0
105.07078	0.2
107.04949	0.2
107.08580	0.6
109.10158	1.3
119.08597	0.3
121.10130	0.4
123.11663	0.2
125.00010	18.5
125.09650	0.5
133.10123	0.2
135.11693	0.2
145.10155	0.2
159.11710	0.2
173.11740	0.2
177.12756	0.2
184.07347	100.0
185.07671	1.0
199.13321	0.3
209.11670	0.2
223.13292	0.4
227.12683	0.4
229.14301	0.8
270.24210	0.4
297.16946	0.5
301.16452	0.5
313.27408	2.3
335.25769	1.5
455.37341	0.3
467.37274	0.5
489.35767	0.4
496.34149	0.2
557.38074	0.6
650.43945	7.9
651.44196	0.4
722.45642	0.2
754.35773	0.3
754.48444	3.7
755.48523	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	755.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	1.0
67.05486	0.9
69.07078	1.5
70.06586	0.8
71.50751	1.5
77.25481	0.8
81.07046	1.4
84.08151	1.0
85.02905	1.3
94.06557	0.8
95.08651	1.4
96.08155	1.5
96.21205	0.8
97.32806	0.7
108.08148	1.1
110.09678	1.9
120.08075	1.5
131.07317	0.9
138.09171	3.5
146.09648	2.5
147.23735	1.0
153.00719	0.8
153.01816	5.1
154.02226	1.4
166.08618	2.9
172.29286	0.7
174.09158	3.1
196.97769	0.8
213.06645	2.2
220.09711	5.8
223.08713	2.1
224.09329	1.1
225.10260	3.3
225.52242	0.8
227.08266	1.4
239.08147	2.0
239.11754	0.9
241.06116	1.1
243.11320	2.2
251.08203	6.3
252.08937	5.1
253.09700	7.6
254.10558	1.3
263.08218	1.3
265.06155	1.5
265.09766	1.2
267.07645	2.4
267.11322	9.1
279.07675	17.2
280.08334	4.1
281.09232	17.7
282.09924	1.6
293.09241	1.4
294.10049	1.8
295.07388	1.1
295.10800	17.6
296.11536	2.9
297.08762	1.3
297.11899	0.9
307.07187	3.5
308.07993	1.7
309.08710	6.5
310.09488	3.7
311.10300	1.3
313.11816	2.0
315.09787	14.7
322.09583	1.1
323.10153	2.3
325.08142	2.5
325.11929	5.7
326.08893	1.2
327.09802	1.1
335.06680	2.0
339.09766	2.2
340.10764	0.9
341.11340	25.2
347.12369	3.6
351.09714	2.8
353.07669	2.6
355.12946	1.4
368.10062	36.4
369.10815	76.0
370.11258	3.6
381.10867	1.8
387.11844	8.3
400.12732	11.5
401.13452	38.7
401.75470	0.8
402.13632	1.3
476.14633	1.0
494.15759	1.1
506.18875	1.5
508.17004	2.2
526.18060	1.6
534.18732	9.1
538.21820	1.9
552.19678	1.1
566.21375	100.0
567.21686	6.5
568.21924	1.5
598.23804	1.5
618.27472	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.4
56.05027	0.7
57.03433	0.2
57.07064	0.4
58.06622	0.6
59.07378	0.2
60.08167	6.3
67.05518	1.6
67.06356	0.2
69.03460	0.1
69.07055	0.4
71.07378	2.9
71.08640	0.2
74.09718	0.3
79.05509	0.9
81.03432	0.3
81.07073	1.1
83.04983	0.2
83.08610	0.3
86.09710	30.1
87.10023	0.2
91.05478	0.7
93.07063	0.7
95.04976	0.3
95.08618	0.6
97.06509	0.2
97.10160	0.2
98.21629	0.3
98.98466	3.3
98.99055	0.3
104.10751	1.9
105.07053	0.5
107.08599	0.4
109.06548	0.3
109.10150	0.7
117.07036	0.3
117.73431	0.2
119.08607	0.3
120.08952	0.2
121.06518	0.2
121.10143	0.3
125.00012	18.2
125.09672	0.2
131.08556	0.4
133.10130	0.2
143.08578	0.2
145.10124	0.3
147.11772	0.2
178.43370	0.2
184.07350	100.0
185.07742	0.7
218.93774	0.2
219.93843	0.2
223.14877	0.2
283.15436	0.4
301.16476	0.4
313.27481	0.9
335.25812	0.3
467.36966	0.2
476.31442	0.2
539.39215	0.3
595.47333	0.4
650.43994	8.8
651.44232	0.4
680.12750	0.2
754.48633	5.9
755.46863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.4
55.01883	5.3
55.05518	23.7
57.03438	10.2
59.96687	4.2
67.05509	66.7
69.03425	5.1
69.07073	22.3
71.04998	5.0
72.71024	4.0
79.05497	86.3
81.03426	11.6
81.07059	62.4
83.04984	12.2
83.08622	7.8
85.06561	6.0
86.09695	5.0
91.05484	100.0
91.06025	6.9
93.07046	74.7
95.04976	20.0
95.08607	40.3
97.06539	7.7
97.10143	5.2
98.21713	3.0
101.03546	3.5
103.05463	5.3
103.81789	3.4
105.07034	63.9
107.04969	9.2
107.08611	30.9
109.06532	6.1
109.10153	11.6
115.05454	4.3
117.07023	25.1
119.08588	57.1
121.10165	19.9
123.08056	8.6
129.07021	22.9
131.08601	21.2
133.06433	3.8
133.10123	36.7
135.11710	15.2
143.08611	20.7
145.10147	24.0
147.08119	4.8
147.11690	51.9
149.13306	7.8
157.10147	10.6
159.11751	14.5
161.09546	4.5
161.13268	33.5
171.11697	24.9
173.13281	9.4
175.14856	10.7
184.07330	10.1
185.13339	6.5
189.12753	9.9
207.13817	19.6
207.35628	3.6
209.13275	4.9
213.16496	7.4
241.19496	25.9
246.77898	3.8
257.18964	4.1
259.20624	48.9
279.15961	15.6
281.17471	59.0
315.23236	4.7
333.24268	41.7
358.55026	4.1
475.21286	4.3
483.34479	4.6
501.34702	4.1
539.37250	70.7
557.38666	22.2
695.03302	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	754.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01870	1.2
55.05515	7.9
56.05034	0.9
57.03448	5.0
57.07083	3.1
58.06613	0.5
58.07394	0.4
59.05009	0.4
60.08169	5.5
61.02922	1.2
65.03925	1.0
67.05511	20.5
69.03428	1.6
69.07079	4.2
69.15556	0.5
69.91199	0.4
70.90845	1.1
71.04992	1.1
71.07383	3.4
71.08636	2.0
74.09732	0.5
79.05504	13.5
81.03431	3.9
81.07066	15.5
83.04990	2.1
83.08630	4.5
85.02918	2.9
85.10182	1.2
86.09715	28.7
87.04470	1.0
87.10050	0.5
91.05488	9.1
93.07050	12.8
94.07392	0.4
95.04971	3.7
95.08615	10.5
97.02893	1.1
97.06525	1.4
97.10188	4.3
98.98487	2.9
99.04459	0.5
99.08068	0.9
103.05482	0.5
104.10757	2.4
105.07038	5.8
107.04961	2.2
107.08615	6.4
109.06506	0.8
109.10166	8.3
111.08105	0.8
113.00125	0.5
117.07008	3.8
119.08593	3.9
121.06474	1.5
121.10159	4.5
123.08078	1.0
123.11704	2.0
125.00018	20.4
125.09650	3.7
129.07039	0.7
131.08603	3.7
133.10149	3.5
135.08041	1.0
135.11679	3.0
143.08499	0.7
145.10092	2.6
147.11662	1.6
149.09645	0.7
149.13266	2.0
157.10143	0.6
159.11670	3.2
161.13301	0.7
163.11246	0.6
163.14752	0.6
173.11769	1.7
173.13226	0.7
177.12785	0.8
184.07358	100.0
185.07672	0.9
187.11130	0.7
189.11240	2.1
205.12190	1.1
223.13295	10.2
227.12796	1.8
229.14378	4.7
243.20949	0.9
261.22272	2.6
263.04672	0.5
279.15948	0.9
297.17007	18.7
298.17429	0.6
301.16544	1.6
313.27402	6.9
329.24692	0.7
335.22061	0.9
335.25830	13.1
397.26193	0.5
447.32651	0.6
467.37491	2.1
489.35840	1.1
539.38391	1.1
557.38361	7.1
575.39978	0.6
650.43927	8.2
651.43964	0.5
754.29645	0.6
754.48834	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	753.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.3
55.01868	0.3
68.75727	0.1
68.99781	0.2
69.03436	0.8
69.47566	0.9
79.01857	4.7
81.03418	0.8
85.02893	0.2
87.00838	0.2
97.02905	1.3
107.01356	1.0
109.02914	0.7
111.04538	0.1
121.02874	1.0
123.00770	0.2
125.02364	2.3
127.03929	1.6
129.57220	0.1
137.02319	0.2
143.03406	5.3
153.01840	100.0
153.02881	5.5
154.02147	0.9
163.03937	0.4
171.02893	0.4
177.05389	0.1
191.03426	0.8
195.02846	0.2
207.02936	0.2
209.04478	0.4
210.51523	0.1
213.03835	0.2
219.02913	0.2
221.04379	0.1
233.04466	0.4
237.03946	3.2
237.06181	0.2
261.04007	0.6
279.04999	1.1
287.05518	5.3
297.06073	1.7
305.02975	0.6
315.07074	0.2
449.07162	5.5
449.69217	0.1
450.07428	0.2
467.08215	1.2
493.48822	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	753.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.1
55.01880	17.7
55.05270	3.1
55.05513	42.9
57.03436	18.5
57.07072	3.4
59.04991	4.0
65.03948	5.3
67.05507	100.0
69.03431	20.4
69.07066	19.9
71.01339	4.8
71.04989	9.3
73.02898	4.5
79.05495	41.7
81.03419	91.8
81.06586	3.7
81.07059	52.4
82.03690	2.2
83.04984	31.9
83.08622	29.1
85.02441	3.0
85.02908	41.4
85.06552	4.1
87.04476	3.8
91.05476	36.1
93.07043	36.4
95.04983	29.4
95.08596	17.9
97.02896	20.4
97.06534	10.3
97.10154	18.4
98.20753	6.5
99.04438	5.9
99.08048	2.3
103.03951	2.6
105.07025	31.1
107.04946	14.3
107.08598	22.5
109.02895	18.7
109.06503	7.5
109.09470	3.9
109.10157	51.1
111.04446	12.7
111.08093	11.8
113.06005	2.8
117.07011	7.8
119.04932	2.9
119.08598	20.4
120.76489	2.3
121.06493	6.1
121.10143	13.3
123.04409	6.1
123.08041	7.6
123.11698	4.1
125.09630	19.8
127.03910	14.7
129.05446	2.7
129.06984	8.5
131.03372	2.9
131.08580	12.2
133.06493	5.0
133.10121	10.1
135.04437	2.1
135.08073	5.0
135.11684	6.5
137.09625	3.1
143.08513	3.7
145.10138	7.7
147.08035	4.5
147.11636	13.0
149.05920	3.2
149.09610	8.2
153.12766	5.3
155.08572	2.8
155.10631	6.2
157.10130	11.3
159.11700	2.5
161.09612	3.7
161.13188	3.0
162.89276	2.3
163.11165	11.7
165.12735	4.9
171.06511	3.1
171.11705	3.1
173.04459	9.4
173.09590	3.2
173.11728	11.2
175.11133	10.3
181.12238	6.3
183.06522	4.1
189.11183	5.4
189.12732	3.7
191.10727	4.1
193.12253	41.4
199.13293	3.0
209.11798	5.2
211.13306	41.8
217.12291	3.7
223.13277	5.1
227.12753	14.0
229.14369	20.9
235.13327	5.0
267.15979	14.6
270.91522	2.1
273.18616	3.5
283.15305	7.5
285.17010	7.7
291.19571	8.6
301.13962	2.8
309.16968	8.5
393.19000	2.8
399.23480	2.3
421.25797	4.2
439.26907	38.5
463.26712	3.4
511.28867	2.4
544.92706	2.3
583.30737	2.8
753.39240	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	753.1304
Annotation	Loropetalin D
Peak:m/z	Relative Intensity
53.00320	0.2
55.01878	0.3
55.37745	0.1
67.09151	0.1
68.99789	0.3
69.03437	5.6
69.03818	0.3
70.84013	0.3
75.84991	0.1
77.03920	0.2
79.01855	4.4
79.05502	0.2
81.03419	0.6
81.07031	0.2
85.02920	0.3
87.00833	0.2
97.02895	2.4
99.04443	0.3
105.03403	0.2
107.01329	0.8
107.04958	0.3
109.02882	0.8
111.00797	0.3
114.75967	0.1
119.04939	0.1
121.02869	0.8
121.06581	0.1
125.02361	2.4
127.03926	2.8
131.04970	0.5
133.02887	0.3
135.04425	0.2
137.02391	0.4
139.03951	0.3
143.03412	5.2
147.04430	0.5
151.03992	0.3
153.01840	100.0
153.02864	5.4
154.02165	0.9
159.04362	0.7
161.05981	0.2
163.03940	1.3
165.01862	0.8
165.05522	0.3
167.03319	0.1
171.02936	1.1
175.03998	0.3
177.05408	0.3
179.03421	1.1
179.06996	0.1
181.01341	0.6
183.02925	0.6
187.03935	0.4
189.05429	0.1
191.03424	2.5
193.04976	0.3
195.02896	0.3
197.04599	0.1
205.04958	0.9
207.02911	1.2
209.04529	0.6
211.02412	0.2
213.05527	0.4
215.03392	0.2
217.05013	0.2
219.02977	0.5
221.04459	0.3
223.02284	0.3
223.05972	0.2
233.04478	1.0
237.03952	2.2
241.04918	0.3
251.05501	0.3
258.05356	0.2
259.05853	0.1
261.03970	0.5
267.04956	0.3
279.04996	0.6
287.05521	21.8
288.06000	0.4
297.06067	2.5
297.88409	0.1
299.05664	0.2
305.02716	0.2
311.05383	0.2
315.07022	0.4
434.00974	0.1
439.06686	0.3
449.07190	0.2
467.08234	0.4
531.88385	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	752.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
55.01869	1.3
55.05511	8.2
57.03441	11.7
57.07080	26.4
57.13491	0.7
59.73275	0.7
67.05168	1.4
67.05509	13.2
69.03424	1.5
69.07066	5.4
70.16962	3.1
71.04994	1.4
71.08640	19.5
71.28321	0.8
74.09702	2.6
79.05499	8.0
81.03423	52.7
81.07065	14.8
83.04977	3.5
83.08624	16.8
85.02901	1.3
85.06535	1.3
85.10191	10.6
89.06013	1.6
90.20320	0.8
91.05495	8.9
93.07045	6.1
95.04969	13.9
95.08612	14.7
97.02919	1.3
97.06526	1.1
97.10165	3.9
100.54800	0.8
103.07586	1.5
105.07043	6.7
107.04946	2.9
107.08578	1.9
108.38803	0.8
109.06509	2.1
109.10167	6.6
111.04420	1.4
111.08092	3.4
117.07061	0.8
119.08594	7.2
121.06457	1.0
121.10172	4.9
123.04433	1.5
123.11705	2.9
129.07031	5.4
131.08569	5.4
133.06477	2.0
133.10130	2.6
135.11708	0.8
137.13239	1.6
142.07794	1.9
145.10114	1.0
147.08034	1.4
147.11748	4.0
149.09599	3.1
157.10141	5.9
165.12730	1.6
175.11215	5.6
184.07364	2.9
193.12260	22.8
211.13260	1.2
239.23767	1.9
249.14777	1.3
257.24756	1.5
267.15933	85.9
268.16245	2.1
301.14255	1.1
309.16953	2.2
313.27380	100.0
314.27707	3.0
505.38922	76.2
506.39584	3.8
534.13861	0.9
547.39966	2.6
601.40710	1.1
613.39734	1.4
752.78436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.4
55.05509	18.6
55.77069	4.0
57.03432	14.9
57.07077	53.0
63.95351	3.9
67.05511	43.3
69.07056	19.5
71.05001	6.9
71.08634	41.9
71.51873	6.5
74.17692	3.9
79.05488	43.9
81.07067	58.6
83.08627	16.2
85.02912	6.7
85.07682	34.9
85.10187	19.8
86.94400	4.6
87.04467	10.5
91.05478	39.1
93.07055	44.1
93.24713	3.8
95.04937	4.4
95.08601	56.3
97.02926	7.0
97.06542	6.4
97.10165	8.6
105.07042	51.0
107.08610	22.6
109.10153	21.2
117.07037	16.7
119.08579	46.6
121.06521	4.4
121.10150	16.3
129.06999	10.0
130.07729	4.6
131.08574	22.6
133.10132	39.0
135.11687	17.3
137.13171	4.3
143.08565	11.8
145.10141	22.1
147.11684	33.7
149.13261	15.0
157.10118	12.9
159.11710	26.7
161.13240	27.9
165.06874	5.1
169.10173	4.9
171.10287	3.7
171.11717	18.2
173.13293	14.7
175.14738	19.4
181.10094	4.7
184.07332	5.5
185.13222	9.3
187.14749	4.4
197.13326	7.0
199.14725	6.1
231.21161	5.2
239.23631	6.8
241.19545	37.5
259.20602	78.7
274.49261	4.8
289.81323	4.5
291.05994	4.3
301.21594	4.5
313.27371	100.0
314.27689	6.4
315.23306	6.8
333.24240	43.9
349.21753	4.7
367.22681	5.9
507.40503	8.2
571.47375	10.4
589.48334	26.6
679.49237	11.4
697.49927	6.7
733.53296	5.4
751.50916	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	752.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.5
55.01876	11.7
55.05520	11.1
57.03444	3.4
57.07081	1.2
59.04993	1.1
65.03945	2.6
67.05183	2.4
67.05511	28.4
69.07076	15.3
69.45261	1.1
71.04414	1.3
71.05002	1.7
79.05499	32.8
81.03430	7.3
81.07063	33.0
83.04983	7.8
83.08618	4.9
85.06522	1.5
90.70634	1.2
91.05492	36.2
93.07050	31.6
95.01341	2.8
95.04989	10.9
95.08614	18.9
97.02908	1.2
97.06534	24.7
97.10157	2.1
97.41994	1.2
98.21600	2.7
103.05448	2.1
105.06325	2.5
105.07040	49.5
106.07345	2.0
107.04959	10.6
107.08602	14.2
109.06530	3.4
109.10172	5.3
110.42830	1.2
111.08141	1.8
117.07037	9.1
119.08596	28.2
120.37493	1.6
121.06504	3.6
121.10172	5.4
123.04434	1.5
123.08062	3.0
129.06973	6.2
131.08560	10.5
133.10146	24.1
135.08029	1.8
135.11697	4.4
139.07541	1.8
143.08603	3.9
145.10141	9.3
147.11696	15.8
149.09621	6.1
155.08537	1.7
157.10185	2.2
159.11708	5.3
161.13322	6.6
163.11166	3.5
171.11722	7.7
173.13322	2.4
177.12798	1.6
179.14330	6.2
184.07329	3.1
189.12756	3.7
197.13324	1.4
201.08443	1.3
207.13754	5.6
257.19061	2.3
260.58759	1.4
263.16409	1.7
275.20059	42.6
279.15811	3.1
281.17514	31.4
293.21094	3.1
349.23776	15.2
377.23367	1.8
537.35706	1.5
555.36853	100.0
556.37329	5.6
573.37927	1.3
653.72180	1.3
752.42700	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	15.2
55.01869	10.4
55.05516	46.5
57.03440	21.4
59.05009	2.5
59.21355	2.6
61.02935	5.6
65.03943	5.9
67.05507	77.6
69.03438	14.6
69.07079	19.7
71.04988	10.3
71.52139	4.2
73.02911	3.5
79.05496	68.8
80.21243	2.7
81.03420	97.9
81.07057	84.6
83.04998	16.3
83.08625	28.6
85.02921	10.6
85.06551	4.8
88.90434	2.6
91.05484	89.3
93.07048	51.4
95.04971	44.7
95.08610	44.9
97.02905	8.8
97.06532	10.8
97.10154	15.7
103.05468	6.2
105.04476	3.4
105.07034	74.0
106.07389	2.5
107.04953	15.0
107.08585	26.1
109.02840	4.5
109.06527	14.9
109.10169	19.0
111.04448	7.3
111.08097	12.7
115.05471	14.3
116.06271	4.2
117.07023	46.0
119.04974	4.5
119.08582	48.7
121.06512	16.0
121.10148	21.0
123.08078	10.5
125.09630	9.9
127.03948	4.4
128.06194	24.7
129.07013	44.1
130.07770	9.4
131.04991	3.5
131.08580	84.2
133.06487	10.6
133.10132	24.8
135.08073	13.6
135.11690	8.2
137.09683	5.5
139.11211	3.6
141.06966	13.5
142.07787	9.5
143.08562	77.1
145.06494	5.6
145.10121	81.6
147.08069	20.0
147.11702	20.3
149.06053	2.8
149.09598	17.2
149.13246	6.2
153.06984	3.7
154.07767	5.0
155.08589	10.7
157.10120	31.1
159.08075	8.5
159.11699	23.8
161.09616	13.9
163.07503	3.7
163.11198	12.1
165.06996	4.2
165.12720	3.3
167.08600	5.7
169.10149	20.5
171.08064	3.6
171.11691	22.5
173.09619	9.9
173.11794	3.1
173.13214	2.8
175.11206	17.9
177.12769	7.1
181.10152	16.4
183.11659	12.7
185.09567	5.6
185.13258	7.3
187.11179	3.8
189.11168	4.7
193.10527	5.1
193.12180	22.9
195.11713	19.8
195.13356	3.2
197.09770	3.3
197.13329	3.2
199.13271	3.2
201.12761	4.2
205.12282	4.9
209.13440	5.0
211.11400	3.1
211.13297	11.0
213.12781	4.0
219.11612	2.9
223.13103	3.4
227.12805	8.5
227.17955	3.8
229.14310	4.6
237.16400	21.6
245.18929	4.9
249.15094	4.0
255.17410	20.4
257.19177	3.5
267.15909	100.0
268.16318	2.6
271.16943	4.1
273.18524	52.8
275.20169	3.8
283.15457	3.9
289.17725	2.9
291.19580	3.9
293.15277	2.6
310.11432	2.6
329.21231	13.7
337.10040	2.8
347.22147	33.5
397.26837	2.7
429.27734	7.1
447.28897	8.8
465.29733	7.7
483.30499	3.1
521.32526	10.3
539.25793	4.9
539.33740	83.5
540.34088	4.2
557.34955	14.6
571.36096	18.1
589.36908	10.4
751.41736	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	750.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.7
56.05035	0.8
57.03442	0.5
57.07082	1.4
58.06347	0.2
58.06605	0.4
60.07883	0.4
60.08169	5.8
63.99107	0.2
67.05499	1.4
69.07069	0.5
70.06603	0.2
71.07379	3.4
71.08640	0.6
71.51088	0.2
74.09719	1.0
79.05490	0.9
81.03430	1.5
81.07053	1.1
83.04958	0.3
83.08620	0.8
85.02902	0.3
85.10168	0.4
86.09711	30.7
87.04477	1.2
87.10024	0.3
91.05480	1.0
93.07056	0.7
95.04978	0.6
95.08609	0.9
97.10175	0.3
98.98463	3.4
104.10748	2.4
105.07031	0.5
109.10152	0.6
119.08592	0.3
121.06576	0.2
121.10159	0.3
125.00013	20.4
131.08557	0.3
131.34081	0.2
133.10097	0.4
157.10092	0.2
160.11226	1.2
161.11607	0.6
175.11240	0.2
184.07350	100.0
185.07664	0.6
193.12248	0.6
194.12625	0.4
232.54858	0.2
258.08994	1.2
259.09247	0.5
267.15970	1.6
268.16278	0.8
271.89899	0.2
277.21286	0.2
281.53152	0.2
311.25787	0.5
313.27429	1.3
314.27740	0.8
399.72653	0.3
411.09033	0.2
496.34061	0.2
503.36844	0.2
505.39270	0.3
506.39154	0.5
524.40070	0.4
566.92554	0.2
573.82391	0.2
650.43298	0.8
653.29175	0.2
654.29944	0.7
658.92029	0.2
700.44824	0.7
718.45862	0.7
750.48981	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	749.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01869	1.0
55.05519	2.6
57.03436	4.3
57.07080	4.6
57.12776	0.5
59.04995	0.5
60.08160	1.5
61.02937	5.3
65.03941	0.5
65.05887	0.5
67.05507	10.6
69.03430	5.0
69.07090	2.5
69.29369	3.0
69.29793	1.1
71.04989	3.4
71.07358	0.9
71.08643	3.3
73.02924	5.5
73.24989	0.4
74.09718	0.6
79.05499	6.3
81.02986	0.9
81.03426	10.9
81.07063	8.3
83.05000	2.5
83.08617	4.1
85.02908	6.2
85.10194	1.3
86.09711	6.4
87.04443	0.6
87.10017	0.5
91.03960	3.6
91.05486	5.3
93.07050	6.8
95.04975	3.7
95.08614	8.5
97.02896	5.8
97.06546	0.9
97.10179	1.7
98.20697	0.9
98.86218	0.5
98.98440	0.6
99.04493	1.6
101.02370	2.0
103.03968	0.7
105.07048	3.0
106.85805	0.5
107.04942	0.7
107.08595	3.5
109.02880	1.8
109.06528	0.5
109.10162	4.2
111.08108	2.0
115.03967	0.9
117.07009	0.9
119.08566	2.8
121.10155	2.7
123.11736	1.2
125.00004	3.9
127.03944	1.9
129.07063	1.1
131.08586	2.4
132.78191	0.5
133.10159	1.8
135.11713	1.9
137.09674	1.4
145.10132	1.0
147.11725	1.9
149.09665	1.1
149.13243	0.7
157.10170	1.5
173.01022	0.6
173.13214	0.5
175.11258	1.7
184.07362	18.5
184.09016	0.9
185.07729	1.3
186.07742	1.2
191.00148	0.5
193.12262	5.1
201.85335	0.5
203.05225	0.7
211.13364	1.9
215.34068	0.5
235.13481	0.7
239.23807	0.9
243.08478	1.9
253.14171	2.1
267.15927	8.2
273.44421	0.5
285.16861	0.6
309.16800	1.1
313.27356	8.4
335.25787	0.6
357.03491	0.5
436.26663	0.5
471.21948	3.8
493.17590	1.2
505.38959	5.6
519.29340	7.6
523.39789	1.1
539.29358	1.1
703.48431	0.6
749.44495	100.0
750.44775	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	749.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01898	0.4
55.05517	2.1
57.03434	1.6
60.81009	0.4
61.02930	3.5
65.03910	0.4
67.05180	0.6
67.05507	7.5
69.03439	2.4
69.07079	2.5
71.01358	0.8
71.04990	1.3
73.02921	2.4
79.05497	5.9
81.03428	3.4
81.07062	5.8
83.04986	1.3
83.08623	1.2
85.02914	4.1
85.06527	0.7
86.09731	0.9
91.03976	1.9
91.05497	3.8
91.34853	0.4
93.07038	6.0
95.04980	1.9
95.08601	2.5
97.02883	4.3
97.06525	1.3
97.10175	1.5
99.04461	0.8
101.02381	1.5
103.03977	0.4
105.04533	0.4
105.06985	2.2
107.04967	1.0
107.08590	3.8
109.02907	0.9
109.06505	0.5
109.10152	2.1
111.08059	0.5
115.05512	0.4
117.07030	1.1
119.08605	1.6
121.06447	0.6
121.10152	1.0
125.09674	0.5
127.03922	1.4
131.08607	1.0
133.10152	1.4
135.11697	4.0
144.95566	0.4
145.10115	1.0
147.11754	0.7
159.11737	0.7
163.11192	0.8
169.09940	0.4
177.12746	0.5
181.12279	0.9
184.07306	2.5
185.04269	0.6
185.07712	0.6
209.78233	0.4
221.11531	1.1
229.14435	0.7
229.27747	0.5
233.50281	0.4
243.08371	2.8
255.15987	0.7
266.74564	0.4
327.67194	0.4
333.20502	1.7
389.23230	0.5
408.67825	0.4
429.17551	0.5
439.19437	10.6
439.25153	0.7
453.21191	0.6
551.28333	5.1
749.40820	100.0
750.41052	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	749.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01898	0.4
55.05517	2.1
57.03434	1.6
60.81009	0.4
61.02930	3.5
65.03910	0.4
67.05180	0.6
67.05507	7.5
69.03439	2.4
69.07079	2.5
71.01358	0.8
71.04990	1.3
73.02921	2.4
79.05497	5.9
81.03428	3.4
81.07062	5.8
83.04986	1.3
83.08623	1.2
85.02914	4.1
85.06527	0.7
86.09731	0.9
91.03976	1.9
91.05497	3.8
91.34853	0.4
93.07038	6.0
95.04980	1.9
95.08601	2.5
97.02883	4.3
97.06525	1.3
97.10175	1.5
99.04461	0.8
101.02381	1.5
103.03977	0.4
105.04533	0.4
105.06985	2.2
107.04967	1.0
107.08590	3.8
109.02907	0.9
109.06505	0.5
109.10152	2.1
111.08059	0.5
115.05512	0.4
117.07030	1.1
119.08605	1.6
121.06447	0.6
121.10152	1.0
125.09674	0.5
127.03922	1.4
131.08607	1.0
133.10152	1.4
135.11697	4.0
144.95566	0.4
145.10115	1.0
147.11754	0.7
159.11737	0.7
163.11192	0.8
169.09940	0.4
177.12746	0.5
181.12279	0.9
184.07306	2.5
185.04269	0.6
185.07712	0.6
209.78233	0.4
221.11531	1.1
229.14435	0.7
229.27747	0.5
233.50281	0.4
243.08371	2.8
255.15987	0.7
266.74564	0.4
327.67194	0.4
333.20502	1.7
389.23230	0.5
408.67825	0.4
429.17551	0.5
439.19437	10.6
439.25153	0.7
453.21191	0.6
551.28333	5.1
749.40820	100.0
750.41052	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	748.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01859	3.2
55.05264	2.0
55.05511	22.6
57.03439	4.4
57.07081	50.9
65.03943	3.6
66.29274	1.2
66.93894	1.4
67.05508	50.4
69.03455	1.8
69.07072	21.2
69.46097	2.7
69.46509	6.4
70.06586	1.9
71.04982	2.9
71.08636	48.9
77.03928	1.3
79.05066	2.2
79.05500	29.2
79.05958	1.4
80.05019	3.4
81.03412	6.1
81.07062	55.6
82.06576	3.7
83.05003	6.6
83.08629	19.4
84.08124	1.2
85.02953	1.4
85.06538	4.0
85.10186	15.7
86.09701	2.0
86.75706	1.1
90.13076	1.4
91.05489	28.5
93.07054	34.9
93.70488	1.2
94.06566	1.7
95.04967	7.6
95.08612	49.0
97.06524	3.8
97.10189	7.3
98.06001	2.1
98.98464	4.0
99.08097	13.1
105.07034	18.8
107.04950	1.7
107.08598	18.4
109.06512	3.2
109.10170	18.7
111.08078	5.0
113.09661	2.3
115.05379	1.4
117.07025	7.1
119.08580	11.2
121.06536	1.9
121.10149	8.6
123.08101	2.4
123.11699	6.7
125.00023	1.7
125.09622	1.9
126.12755	2.1
129.07019	4.4
131.08572	7.7
133.10153	9.9
135.11694	5.5
136.53831	1.5
137.09674	1.8
137.13281	2.3
143.08542	2.2
145.10133	6.6
147.11641	6.9
149.13252	8.3
151.11186	14.5
155.01031	3.4
157.06845	1.3
157.10098	1.5
159.11688	3.8
161.13293	7.9
163.11186	13.0
171.11732	2.2
173.13304	1.7
175.11238	2.1
177.12737	5.6
179.14278	9.1
184.07361	7.0
185.13274	2.2
195.13814	4.0
220.16962	12.5
233.15265	1.7
238.18097	6.4
239.23798	6.2
241.19484	4.6
251.16438	4.3
259.20615	5.6
269.17438	1.7
277.21616	13.9
282.27863	9.2
295.22690	1.8
302.24814	2.5
313.27396	32.7
318.14407	5.7
320.25803	5.1
333.24152	2.1
336.15741	1.9
341.26901	2.1
341.30713	2.0
351.25488	6.8
357.69513	1.2
374.17319	3.1
392.18271	8.9
393.24194	1.5
414.95151	1.4
491.40869	2.2
493.38727	3.5
507.40491	100.0
508.40759	5.2
519.41077	1.6
532.43573	2.5
540.32263	1.5
571.33398	1.9
571.47296	17.0
589.48279	90.4
590.48407	4.1
607.49304	12.0
630.31183	2.1
630.41357	32.6
655.50208	1.9
712.49078	6.0
730.49127	1.4
732.83557	1.3
748.47186	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	748.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
53.33382	1.1
55.01875	2.0
55.05281	1.2
55.05510	19.7
57.03437	7.0
57.07077	10.9
59.04996	2.5
60.08165	1.3
61.02908	3.0
65.03935	2.5
67.05503	88.6
69.03413	3.1
69.07068	27.8
69.82966	5.4
71.04989	20.8
71.08638	8.6
79.05486	15.9
81.03399	4.7
81.06596	1.7
81.07056	32.9
83.04968	4.0
83.08620	22.3
85.02904	4.4
85.06528	3.9
85.10172	5.6
86.09722	7.0
91.05466	15.8
93.06484	1.6
93.07043	19.2
95.04989	1.2
95.08604	35.0
97.02866	1.5
97.06517	5.2
97.10162	12.4
99.08089	2.7
105.07019	4.5
107.04932	1.2
107.08587	11.9
109.02849	1.6
109.06521	1.6
109.10156	69.1
111.08076	4.1
111.11649	2.2
113.09592	1.9
119.08583	10.9
121.10155	10.2
123.11681	3.4
124.99987	2.9
131.08530	2.4
133.10114	1.5
135.11703	13.3
137.09604	9.3
145.10094	4.0
145.81352	1.4
147.11595	1.9
149.09778	1.3
149.13254	3.5
155.10675	4.2
163.11183	3.2
169.12263	1.9
173.11769	6.5
181.12344	1.3
184.07346	21.0
195.00316	2.1
196.13373	1.5
243.15887	1.7
255.15863	5.8
265.25226	4.8
273.79309	1.2
277.21628	2.8
287.15585	1.8
287.18539	27.4
313.27246	3.7
316.13293	1.5
339.28931	20.7
385.46024	1.3
425.18390	1.7
475.37817	5.1
493.38907	100.0
494.39169	4.5
507.40424	4.8
508.40649	1.4
518.22058	1.4
519.40356	10.7
550.07996	1.3
551.43091	83.7
552.43085	2.8
587.46887	1.7
589.48413	9.7
590.48181	1.6
748.42908	1.7
753.01221	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.9
69.03436	7.7
69.03783	0.3
71.04998	19.5
71.51311	0.5
71.51675	0.4
73.02924	0.4
75.04496	0.6
79.01856	2.4
81.03437	0.6
83.04976	1.3
85.02912	23.0
97.02882	1.3
97.44347	0.4
99.04473	0.6
107.01318	0.6
109.02866	1.1
111.04430	0.5
121.02881	1.3
125.02347	1.4
127.03932	5.0
129.05486	8.5
143.03419	3.2
147.04468	0.5
147.06523	1.8
153.01840	100.0
154.02174	1.0
161.06075	0.5
163.03883	1.1
165.01863	0.7
171.02928	2.6
177.05472	0.5
179.03442	1.1
181.01311	0.6
191.03418	1.7
205.05038	0.6
207.02991	0.6
209.04617	0.7
219.03091	0.4
221.04660	0.5
233.04619	1.1
237.03996	3.1
240.34720	0.4
241.05049	0.4
259.05988	0.4
261.03876	0.7
270.88660	0.4
279.05066	1.2
287.05521	40.0
288.05930	0.6
297.06110	4.3
315.07129	13.7
315.10849	0.7
329.06561	0.4
649.50848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3777
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03938	0.6
55.01882	0.8
55.05508	1.3
57.03436	1.9
59.04996	1.2
61.02934	4.5
65.03967	0.7
66.17580	0.4
67.05511	3.4
69.03434	3.4
69.07077	1.4
69.64584	2.3
70.06578	0.9
71.04994	1.6
72.08149	0.5
73.02923	3.8
79.05499	4.0
81.03422	6.2
81.07069	3.8
83.08625	1.2
85.02914	5.9
85.06542	0.6
87.04481	0.7
91.03968	2.0
91.05495	5.8
93.07057	3.9
95.04985	2.2
95.08626	1.7
97.02895	4.6
97.06554	1.4
98.20595	0.5
99.04459	0.7
99.43670	0.4
101.02395	1.8
103.03973	0.6
105.07020	3.4
107.04999	1.3
107.08633	1.8
109.02902	1.2
109.06559	0.7
109.10188	0.6
111.08082	0.7
119.04951	4.8
119.08607	2.3
121.06538	0.9
121.10165	3.5
127.03950	1.5
129.07060	1.4
131.04965	0.7
131.08577	2.4
133.10159	1.8
136.07607	0.9
137.06010	0.6
137.09711	0.4
137.72165	0.5
139.11243	1.2
142.07816	0.8
145.10156	0.8
147.04427	18.2
147.11728	1.9
148.04790	0.7
149.09615	2.8
153.01833	6.2
155.35667	0.6
157.10178	1.8
165.12852	0.5
175.11237	1.3
193.12280	2.6
198.10233	0.4
203.14345	0.4
211.13341	0.8
233.11552	0.5
243.08472	2.7
267.16119	1.9
269.13718	1.4
283.15207	4.1
287.05643	1.6
287.65417	0.5
339.17899	1.3
443.18903	5.9
459.32477	0.6
469.20572	4.6
487.21497	6.9
501.23004	12.3
502.23679	0.6
531.42163	0.5
536.32520	0.6
541.29590	0.6
573.24994	0.6
622.23767	0.5
657.29926	0.6
703.35156	3.0
729.36871	2.2
747.37842	100.0
748.38196	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	746.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01868	1.8
55.05515	27.7
56.50053	1.0
56.52535	1.1
57.03441	12.7
57.07082	7.0
61.02925	3.9
65.03572	1.2
65.03919	1.5
67.05505	26.5
69.03433	3.5
69.06731	1.7
69.07076	25.6
70.75681	1.7
70.76013	2.0
71.04999	2.9
71.08633	4.1
73.02929	1.4
79.05498	21.0
81.03424	45.6
81.07059	35.8
83.04982	12.3
83.08149	1.8
83.08624	30.3
84.71948	0.9
85.02911	19.2
85.06557	2.6
85.10184	1.6
86.09705	4.1
89.06020	1.3
91.03965	1.4
91.05489	25.0
93.07046	19.3
95.04973	17.6
95.08060	1.9
95.08618	24.0
97.02905	4.3
97.06514	4.8
97.10181	11.0
99.08097	1.9
105.07037	14.7
106.64840	1.0
107.04958	4.4
107.08611	8.5
109.06524	3.5
109.10177	8.8
110.06059	1.2
111.04447	2.4
111.08093	8.5
111.11724	1.3
113.06004	1.8
117.07015	2.1
119.08592	12.7
121.10162	12.2
123.08088	2.0
123.11732	4.0
124.99996	3.1
125.09603	1.2
129.07014	7.8
131.08560	7.9
133.06502	3.0
133.08604	1.8
133.10136	6.9
135.11693	5.5
137.09613	1.6
137.13203	1.2
142.07791	1.7
145.10158	2.2
147.08070	2.8
147.11699	10.1
149.09616	4.6
149.13254	2.3
157.10135	8.4
165.12750	1.3
175.11160	10.2
184.07359	16.6
193.10471	1.9
193.12254	33.4
195.00415	2.1
211.13307	56.6
212.13606	1.1
247.24329	1.0
251.19377	1.0
265.25226	3.7
267.15927	16.5
285.16983	64.9
286.17337	2.5
339.28976	62.8
340.29367	1.8
355.22708	1.0
531.40594	13.3
549.41534	100.0
550.42029	5.5
575.38037	1.3
652.03021	1.0
697.36145	1.2
746.44305	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	746.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.2
56.05042	0.9
58.06637	0.5
60.08169	5.9
67.05510	0.8
70.06571	0.1
71.07377	3.7
71.51907	0.3
72.08156	0.2
79.05508	0.4
80.97430	0.2
81.03400	0.1
81.07066	0.5
85.02917	0.2
86.09711	31.8
87.10045	0.3
91.05501	0.4
93.07073	0.5
98.98471	3.9
104.10757	2.7
105.07042	0.2
106.91712	0.1
107.08621	0.4
109.10181	0.2
117.07056	0.2
119.08609	0.2
124.36907	0.1
125.00012	21.0
131.08467	0.1
135.11746	0.2
143.01054	0.2
144.32428	0.2
184.07352	100.0
185.07678	1.0
186.07828	0.2
196.44133	0.1
210.24512	0.1
227.12669	0.2
269.17392	0.2
362.35947	0.2
433.29327	0.2
468.23819	0.2
531.35663	0.2
623.75006	0.2
728.44928	6.6
729.44202	0.4
746.43451	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	746.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
56.05038	0.9
57.03428	0.1
58.06351	0.2
58.06623	0.5
60.08166	6.0
67.05520	0.3
69.07031	0.2
70.11636	0.5
71.06981	0.2
71.07380	3.5
79.05493	0.3
81.03400	0.1
81.07063	0.4
82.58538	0.1
86.09710	30.4
87.10040	0.2
91.05479	0.5
93.07048	0.3
95.08590	0.2
98.98469	3.7
104.10751	2.3
104.16074	0.1
105.07025	0.2
109.06496	0.1
125.00010	20.7
144.69188	0.1
147.11646	0.1
157.81219	0.1
168.21349	0.1
184.07347	100.0
185.07744	1.2
268.12344	0.2
327.94421	0.2
345.46515	0.2
353.13535	0.1
509.11444	0.1
518.32495	0.2
710.43048	0.2
728.45007	7.5
728.57941	0.4
729.44446	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.2
55.01867	4.8
55.05513	35.6
55.16425	3.0
57.03430	7.9
57.07077	75.3
57.27433	3.0
65.03929	7.7
67.05511	88.8
69.03392	2.9
69.06737	3.3
69.07073	45.5
69.15414	36.3
71.04982	4.0
71.08633	49.6
73.29746	2.7
74.22905	3.3
79.05498	51.6
80.05021	3.0
80.50199	2.9
81.03416	7.2
81.07062	100.0
82.06547	3.8
83.04967	6.9
83.08625	29.5
85.10191	31.3
86.09703	9.1
89.06031	5.7
91.05485	61.7
93.07044	43.1
95.04961	11.1
95.08058	5.4
95.08611	65.4
97.06512	13.4
97.10167	12.2
98.98471	11.5
99.08080	5.0
105.07034	34.4
107.04962	7.6
107.08583	26.0
109.06525	6.7
109.10171	24.7
115.05469	4.8
117.07037	21.2
119.08591	24.8
121.10148	18.9
123.11710	11.8
124.07565	3.6
124.99991	9.7
129.06972	5.2
131.08536	20.3
133.08617	4.7
133.10130	22.4
135.08022	3.7
135.11682	9.4
143.08531	7.7
145.10101	20.0
147.11700	8.4
149.09578	15.8
149.13283	7.1
155.01022	5.1
155.08508	5.6
157.10173	5.8
159.11703	14.3
159.25288	2.9
163.11172	10.9
169.10107	4.7
171.11740	5.8
173.13223	5.7
177.12660	7.5
179.14270	8.3
182.77382	2.9
184.07330	33.8
196.64804	3.1
220.17038	16.3
222.08908	5.0
238.18134	6.7
239.23653	7.0
242.90128	3.7
257.19046	5.9
260.53256	3.4
275.20062	20.2
282.27896	14.4
285.17227	4.4
300.23312	4.9
313.21771	4.5
313.27335	48.4
318.14713	6.6
318.24240	11.4
331.22601	4.8
339.28824	3.7
349.23758	10.3
392.18350	11.9
490.25217	3.3
493.38898	29.1
507.40479	91.8
508.40527	5.0
549.41217	5.1
569.45691	22.7
570.63806	3.8
587.46698	81.0
588.46521	5.8
605.47528	21.3
616.40283	4.5
630.41296	31.8
708.06744	3.3
710.47150	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	745.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.0
55.01848	1.0
55.05472	1.4
57.03397	1.8
57.76713	0.5
59.04976	0.6
61.02931	5.1
67.05508	7.8
69.03429	3.5
69.07054	0.8
70.06564	1.0
71.04982	1.2
71.51080	0.8
72.08125	0.8
73.02924	3.3
73.91112	0.5
79.05486	2.6
81.03417	6.0
81.07082	3.4
83.04932	1.3
83.08583	1.6
85.02911	5.9
91.03956	3.4
91.05470	3.3
93.07025	1.8
95.04941	1.8
95.08572	1.7
97.02898	4.5
97.06491	0.7
99.04443	0.9
101.02351	2.2
103.03929	0.6
105.06986	1.6
107.04932	0.7
107.08577	1.3
109.02847	1.2
109.06487	1.1
109.09483	0.6
109.10161	6.9
119.08537	1.8
121.10112	1.4
122.64692	0.4
127.03873	2.1
129.05429	0.6
129.06989	0.8
131.08546	1.3
133.10066	0.8
135.11635	1.0
138.70605	0.5
147.11639	0.6
149.09593	0.8
155.10695	0.8
157.10059	0.5
163.11134	0.6
173.02399	0.5
173.11763	2.8
175.11153	0.9
193.12193	1.7
195.09981	1.2
203.05243	0.7
211.13222	0.9
229.14392	1.6
243.08463	2.7
251.12512	1.7
285.17090	0.5
301.09000	0.8
413.17822	12.2
427.19211	0.9
441.21332	0.7
469.20535	6.5
485.19678	0.6
501.23154	2.8
641.31451	100.0
642.31799	4.8
681.31384	0.6
687.36407	0.9
699.35791	0.8
727.34955	2.7
745.35291	31.4
746.35254	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	745.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.4
55.05508	1.6
57.03440	2.2
61.02927	4.8
67.05503	2.8
69.03438	2.2
69.07069	1.0
70.95870	2.1
71.04970	1.2
72.08153	0.8
73.02919	3.3
74.55453	0.7
79.05508	2.4
81.03403	4.0
81.07066	2.3
83.05003	1.0
83.08619	1.3
84.12643	0.7
85.02909	4.6
87.04498	1.0
91.03973	2.4
91.05485	2.0
93.07046	1.7
95.04955	1.3
95.08620	1.0
97.02908	4.1
97.06553	1.0
99.04481	0.7
101.02403	0.9
103.41705	0.7
105.07045	1.9
105.41603	0.7
107.08633	1.8
109.10152	2.0
117.05498	1.3
119.08633	1.1
121.10179	2.2
127.03939	2.2
129.05513	1.9
131.08620	1.0
145.04897	0.9
147.11702	1.2
149.09660	1.3
157.10098	1.3
181.02913	0.7
181.04672	0.9
184.07326	1.4
185.04233	3.2
193.12299	1.5
195.70259	0.8
203.05257	0.8
207.13689	1.2
211.13312	0.7
233.11607	0.8
241.06898	1.3
243.08432	3.6
245.31654	0.7
251.12665	1.2
265.14185	1.5
267.16016	1.3
271.08850	0.8
283.15210	9.2
301.08984	18.0
301.12210	1.4
309.16852	3.6
315.10638	3.1
323.18451	3.3
339.17850	1.5
341.12192	1.9
355.13742	2.0
357.15201	0.8
373.11050	5.9
381.18970	6.3
383.16895	2.1
385.18280	7.6
395.20654	1.4
399.20059	2.3
413.17932	0.9
414.58984	0.9
427.19461	8.0
429.17459	1.9
439.19238	1.4
443.18985	1.5
457.20776	0.9
465.28195	3.8
469.20258	3.6
483.22223	1.3
485.19775	1.4
499.21362	4.7
501.23279	21.1
511.28867	2.2
516.21960	1.2
517.22565	1.5
529.22595	16.0
545.22144	2.0
573.25275	12.5
587.26831	2.7
601.28479	4.0
613.32458	2.7
615.30023	2.6
629.31537	1.4
641.31488	4.7
643.33160	6.9
657.34674	0.9
673.34680	0.9
683.36102	1.4
685.33606	1.1
687.34906	1.0
699.35541	1.6
727.35474	3.3
728.36035	1.6
745.36090	100.0
746.36609	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	745.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.05506	1.0
61.02915	1.0
64.12862	0.6
67.05499	2.9
69.03431	1.8
70.06601	0.7
71.04975	1.2
71.05569	1.2
73.02900	1.0
79.05489	2.0
80.36651	0.6
81.03419	3.0
81.07059	2.1
83.05003	1.2
83.08622	1.3
84.08149	0.9
85.02919	2.1
91.03935	1.0
91.05491	2.6
93.07050	1.7
93.95398	0.6
94.44265	0.7
95.04990	1.4
95.08604	1.0
97.02901	1.7
101.02396	0.6
105.07066	1.8
107.04948	1.1
107.08627	1.4
109.02909	1.1
109.10144	1.1
111.04491	0.8
119.08662	1.2
127.03974	0.9
129.07053	1.1
131.08565	0.9
135.11719	0.7
137.05974	0.9
141.80722	0.8
146.80540	0.8
149.09682	0.8
157.23666	0.7
167.58780	0.6
168.12846	0.7
193.12248	1.0
211.13338	1.1
267.09174	0.7
283.15256	1.0
461.28650	0.8
467.18839	0.9
480.29102	0.7
485.17398	1.3
501.23462	1.9
517.21118	1.0
540.12219	0.8
542.61163	0.8
667.33105	3.4
695.30695	0.8
727.35150	2.2
745.34290	100.0
746.34418	5.7
773.95245	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
53.10992	1.2
53.66228	1.0
55.01865	2.4
55.05274	1.8
55.05516	28.2
57.03440	15.7
57.07060	2.3
61.02923	6.3
65.03936	3.2
67.05508	69.9
69.03415	3.6
69.06729	1.7
69.07070	22.0
69.63724	2.4
69.64129	4.2
70.10192	1.1
71.05001	11.1
71.07392	1.6
71.08622	2.5
73.02893	3.2
74.16480	1.1
79.05497	37.4
81.02941	1.7
81.03424	49.4
81.07061	66.7
82.07401	1.8
83.04979	14.1
83.08623	26.5
85.02907	21.5
85.06529	3.2
86.09720	9.3
91.03936	2.9
91.04912	1.9
91.05487	36.0
93.07050	32.9
95.04980	20.2
95.08611	40.1
97.02878	4.0
97.06534	4.8
97.10181	8.8
98.21548	1.3
99.04449	1.6
99.08101	1.7
99.44414	1.1
99.61927	1.2
105.07037	23.1
107.04961	6.6
107.08592	13.2
109.06522	5.2
109.10163	24.6
111.04412	2.2
111.08073	7.9
117.07041	2.2
119.08582	22.5
121.06518	1.3
121.10149	16.4
123.08040	3.7
123.11726	4.3
125.00008	4.6
125.09665	2.9
129.07025	7.9
131.08571	10.1
133.06497	2.1
133.10135	14.9
135.11667	5.5
137.09630	3.6
137.13306	1.7
138.90921	1.1
139.11145	1.6
142.07780	2.7
145.10123	4.4
147.07988	1.9
147.11684	14.2
149.09625	3.4
149.13336	2.5
157.10123	10.3
161.13235	2.2
163.11255	2.3
165.12749	3.3
169.33954	1.2
175.11200	11.0
175.14809	2.2
184.07347	24.5
193.12247	30.6
193.13882	2.4
211.13310	57.5
212.13615	1.5
214.74831	1.1
227.12608	1.6
229.14297	1.6
245.22682	2.7
255.15846	1.7
261.22000	1.6
263.23611	2.6
267.15936	17.5
285.16971	62.8
286.17310	1.6
287.18509	3.3
335.25815	7.3
337.27393	60.1
338.27609	2.0
471.34805	1.6
489.35840	16.8
498.32129	1.5
515.37097	2.5
529.38916	12.1
547.39960	100.0
548.40369	5.6
744.45605	7.7
745.40515	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	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11766	0.6
53.03952	2.8
54.75164	0.6
55.01874	1.3
55.05516	15.3
57.03442	10.1
57.07075	2.5
59.05010	2.4
61.02934	3.8
61.40301	0.7
63.61556	0.7
65.03944	4.2
67.05508	100.0
68.05826	0.8
69.03436	2.8
69.07073	15.9
70.26768	0.8
70.27110	2.6
71.04997	20.3
71.08627	0.7
73.02924	1.1
74.55496	0.7
79.05499	41.5
79.93783	0.6
80.05824	0.7
81.03423	6.7
81.07063	47.2
82.07407	0.8
82.26384	0.6
83.04977	6.4
83.08627	10.6
85.02905	5.9
85.06560	3.4
86.09702	4.6
87.04491	1.1
91.03972	1.2
91.05489	28.0
93.07050	46.0
95.04990	6.2
95.08611	35.2
97.02927	1.9
97.06548	5.4
97.10153	3.8
98.98486	0.7
99.04472	0.8
99.08102	1.9
105.04527	1.5
105.07033	11.6
106.07396	0.7
107.04991	1.3
107.08605	23.9
109.06529	1.6
109.10163	63.1
111.08102	4.3
115.05530	0.8
117.07034	5.4
119.08591	18.2
121.06533	1.0
121.10149	19.0
121.11040	1.1
123.08096	1.1
123.11729	2.3
124.05369	0.6
125.00019	3.1
125.09665	1.9
129.07028	1.6
131.08583	8.8
133.06503	0.9
133.10130	9.3
135.08147	0.7
135.11705	16.1
137.09628	10.6
137.13242	1.3
139.11240	1.1
143.08563	1.1
145.10117	6.8
147.11702	4.7
149.09619	1.0
149.13268	4.6
153.12761	0.6
155.10706	2.6
157.10164	3.1
159.11731	3.6
161.13310	3.0
163.11203	4.2
163.14865	1.3
165.12743	1.4
169.12303	1.4
173.11781	7.6
173.13319	2.9
175.11224	1.0
175.14832	2.0
175.68137	0.7
181.12282	1.4
184.07352	15.2
187.13330	0.8
187.14832	1.4
193.12253	4.4
211.13304	6.1
211.14694	0.6
213.14870	1.3
229.14449	2.0
243.15898	1.7
243.21124	1.2
253.14670	0.8
255.15912	4.1
261.22247	2.4
267.15918	1.9
283.15652	0.8
285.16980	6.5
287.18536	16.4
287.23392	0.8
293.21033	1.0
317.24637	1.2
335.25812	30.4
337.27469	6.6
339.29218	1.0
353.71713	0.8
397.31201	1.6
415.32205	0.8
423.32614	1.5
427.22876	0.8
435.32007	0.8
471.34940	2.3
489.35776	90.7
490.35986	5.4
503.37296	3.3
515.37378	10.3
529.38971	1.5
533.38446	1.0
547.39972	77.7
548.40204	4.5
589.85797	0.7
744.46259	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01872	4.3
55.05269	1.9
55.05514	24.0
57.03442	12.7
57.07073	7.0
59.05006	2.5
61.02923	5.1
67.05510	23.1
69.03429	1.6
69.07075	27.7
69.29369	4.4
69.29797	5.1
71.04984	5.2
71.08630	5.4
73.02917	1.9
79.05504	18.8
81.03413	9.1
81.07062	27.7
83.01341	6.6
83.04984	7.4
83.08622	21.5
85.02905	5.9
85.06509	1.2
85.07684	1.6
85.10188	1.9
86.09736	2.7
91.03970	2.2
91.05486	9.8
93.07046	25.5
95.04962	5.3
95.08607	22.8
97.02901	4.4
97.06534	5.2
97.10156	8.3
99.04458	2.1
99.08089	1.6
105.07055	8.9
107.04958	7.0
107.08605	14.4
109.06519	6.3
109.10151	9.5
111.04431	1.7
111.08096	2.2
111.11720	1.7
113.65877	1.1
117.07021	4.8
119.08591	7.3
121.06550	3.0
121.10170	11.2
123.08073	6.9
123.11684	2.5
125.09609	2.0
130.07785	1.4
131.08569	4.1
133.10114	3.0
135.08055	2.1
135.11697	11.7
137.09605	1.8
145.10114	14.7
147.08063	1.8
149.09705	1.7
149.13315	3.2
153.12766	1.7
163.11171	17.5
172.74402	1.2
173.09625	3.6
181.12259	3.2
184.07387	4.5
191.10681	2.0
209.11722	5.9
227.12830	3.5
247.24086	1.6
265.25345	2.2
281.28391	1.2
283.15417	100.0
284.15732	2.5
312.55942	1.4
339.28955	69.1
340.29514	2.7
547.40009	40.5
548.40173	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	744.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.01864	2.2
55.05515	18.5
57.03194	0.7
57.03448	8.4
57.07082	7.2
58.87128	0.7
59.05016	0.8
61.02929	1.0
65.03909	0.7
67.05507	25.2
68.45644	0.8
68.91354	0.8
69.03442	1.4
69.07076	23.6
71.04990	3.1
71.08643	3.9
73.02950	0.8
74.84410	0.8
79.05499	20.2
79.62029	0.8
81.03417	2.2
81.07063	27.2
83.04967	3.1
83.08627	19.5
83.09122	1.1
85.02917	0.9
85.06543	1.3
85.10178	2.6
86.09736	1.2
87.04474	0.9
91.05492	7.4
93.07051	33.6
94.07401	0.8
95.04988	5.6
95.08614	41.7
96.11951	0.7
97.02892	3.4
97.06555	4.9
97.10175	10.8
99.04465	3.2
99.08090	1.0
105.07045	7.9
107.04968	8.1
107.08605	22.5
109.06540	3.6
109.10162	9.8
111.08064	1.9
111.11731	2.5
113.06026	1.2
116.59635	0.9
117.07031	5.5
117.82937	0.8
119.08583	8.7
121.06527	4.9
121.10153	14.4
123.11687	2.3
125.05993	3.1
129.45203	0.8
130.07823	1.4
131.08545	1.1
133.10138	2.9
135.08057	2.6
135.11702	46.1
137.13269	0.8
139.07602	1.2
139.11130	1.0
141.74510	0.7
143.08649	1.0
145.06509	0.9
145.10133	22.8
149.13254	2.7
163.11195	51.6
164.11504	1.0
170.28983	0.8
181.12227	9.1
184.07372	3.1
209.11705	1.4
227.12804	63.1
265.00497	0.8
265.25299	1.3
267.16122	1.0
275.93826	0.9
283.15414	93.6
284.15891	1.5
335.26236	0.9
337.27533	1.4
339.28979	94.5
340.29333	2.2
489.36383	1.0
533.78601	0.7
547.39972	100.0
548.40393	6.4
585.44708	1.0
597.40234	0.7
603.46320	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	744.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05514	2.3
56.05019	0.6
57.03438	1.6
57.07061	0.3
58.06598	0.6
60.08162	6.8
61.02924	0.5
63.85236	0.3
65.03931	0.4
67.05509	10.1
69.07074	2.6
69.32645	2.1
71.04984	1.2
71.07377	3.9
79.05503	5.2
80.18023	0.3
81.03419	0.8
81.07062	11.9
82.07372	0.5
83.04958	0.8
83.08617	1.5
84.67129	0.3
85.02892	0.7
85.06529	1.1
86.09711	33.2
91.05483	3.6
92.05808	0.3
93.07053	6.8
95.04951	0.8
95.08612	4.3
97.06523	1.2
97.10130	0.4
98.20752	0.4
98.98468	3.5
99.08056	0.4
104.10773	1.8
105.07050	1.8
107.08603	3.2
109.06509	0.5
109.10178	1.9
111.08045	0.4
117.07018	1.3
119.08569	1.2
121.10159	2.1
123.11700	1.4
125.00013	20.9
131.08572	1.8
133.10138	2.2
135.11664	1.4
145.10088	0.7
147.11635	0.5
149.13304	1.7
151.11180	0.6
152.16562	0.3
157.10020	0.4
159.11716	1.3
173.13246	0.5
177.12782	0.5
184.07349	100.0
185.07668	1.1
187.13313	0.6
195.13713	0.5
211.13235	0.5
213.14931	0.5
221.90495	0.3
229.54832	0.3
241.14233	0.3
243.15918	3.3
261.22168	0.7
269.17477	2.4
286.17316	0.7
287.18533	4.7
335.25751	5.3
336.26099	0.8
337.26941	0.3
412.45898	0.3
415.24481	0.3
489.35565	0.7
503.37323	11.0
504.37619	0.6
529.38702	1.2
545.37708	0.3
547.39886	4.3
582.44037	0.3
744.48022	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	744.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
53.30910	1.2
55.01858	4.7
55.05519	16.0
57.03447	13.2
57.07082	1.3
60.08153	3.1
60.82299	1.1
61.02929	2.1
65.03938	2.2
67.05510	58.9
69.03424	3.8
69.06724	1.9
69.07073	22.8
71.01341	4.0
71.04981	5.0
79.05500	56.6
81.03423	9.1
81.07061	51.1
83.04987	11.9
83.08627	9.9
85.02910	3.3
85.06528	4.8
86.09712	17.0
90.69644	1.0
91.05489	31.7
93.07052	57.9
95.04974	7.1
95.08618	19.1
97.02893	3.4
97.06544	15.1
97.09736	0.9
97.10187	9.1
98.98463	1.6
99.08099	2.5
105.07036	19.8
107.04942	4.0
107.08602	40.4
109.06494	4.7
109.10163	9.9
111.08096	4.6
113.09650	1.3
117.07020	10.3
119.07956	1.0
119.08601	11.1
121.06497	3.2
121.10168	11.1
123.08061	1.4
123.11676	2.2
125.00027	12.4
125.09619	3.3
127.03883	2.1
127.62918	1.0
129.06992	3.3
129.81941	1.2
131.08537	8.8
133.10144	12.7
135.08041	3.1
135.10698	2.3
135.11703	41.1
137.09615	2.6
141.06970	1.4
143.08569	2.9
145.10158	13.2
147.11716	3.7
149.09644	7.6
149.13266	7.5
151.11115	1.9
153.12790	1.6
155.08493	1.5
159.11729	7.1
161.13257	1.5
161.59354	1.1
163.11201	8.5
169.10126	1.6
171.11655	1.5
173.13283	1.7
177.12740	2.8
181.12296	10.3
184.07352	53.2
195.13789	5.2
199.13171	1.5
221.26396	1.1
227.12766	1.2
229.19643	1.4
241.44478	1.0
247.20399	1.8
253.14284	1.5
255.15930	59.6
256.16357	1.1
257.18942	4.2
269.17471	13.5
275.20068	14.6
331.22760	1.7
347.90143	1.2
349.23712	9.5
435.27582	19.1
449.29028	100.0
450.29248	3.4
529.35419	17.3
547.35822	5.0
593.33252	2.5
629.95111	1.3
744.44324	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
55.33751	0.2
56.05044	1.1
57.03425	0.4
58.06626	0.6
59.07371	0.2
59.77288	0.2
60.08167	6.9
67.05509	1.5
69.03413	0.2
69.07057	0.5
70.06586	0.4
71.07377	4.2
79.05491	1.1
79.64935	0.1
81.03423	0.5
81.07068	1.1
83.04987	0.3
83.08611	0.3
86.09711	33.0
87.10030	0.3
91.05499	0.8
93.07055	1.1
95.08627	0.4
97.02861	0.2
98.98473	3.8
104.10748	3.4
105.07021	0.7
107.08585	1.0
109.10140	0.4
117.07027	0.3
119.08599	0.4
121.10146	0.3
125.00013	22.0
125.09716	0.2
131.08597	0.3
133.10144	0.4
135.11705	0.8
145.10132	0.3
159.11787	0.2
163.11288	0.2
184.07352	100.0
185.07770	0.9
255.16042	0.8
258.26480	0.2
275.19913	0.3
349.23792	0.2
378.56860	0.2
449.28864	0.7
468.23071	0.2
527.74554	0.2
529.35419	0.4
547.36298	0.2
726.42554	0.4
744.44495	6.5
744.58038	0.3
745.44830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00730	1.0
53.03954	5.6
55.01876	7.6
55.05272	1.5
55.05513	22.0
56.05024	1.5
57.03190	1.6
57.03440	17.6
58.06580	1.2
60.08165	6.7
61.02919	2.2
65.03931	3.1
67.05506	65.8
69.03425	5.8
69.07070	27.6
69.44632	8.0
71.01349	4.2
71.04978	4.4
71.07363	3.0
77.03934	2.4
77.66823	1.2
79.05496	61.8
81.03413	12.0
81.07058	49.5
83.04987	13.8
83.08624	9.1
85.02893	4.1
85.06533	5.0
86.09229	1.7
86.09712	27.6
91.04906	1.8
91.05484	39.3
93.07048	67.4
94.07347	1.1
95.04974	9.6
95.08614	21.2
97.02905	2.7
97.06535	22.5
97.10175	12.1
98.21489	2.2
98.98455	3.4
99.04476	1.0
99.08089	3.0
104.10756	2.9
105.04449	1.2
105.07033	22.7
107.04956	7.2
107.08601	46.9
109.02888	1.5
109.06528	3.5
109.10150	11.0
111.08085	4.0
113.05999	1.1
117.07018	14.9
119.08590	19.4
121.06514	3.9
121.10142	17.0
123.11688	2.3
125.00008	20.6
125.09644	5.4
129.05510	1.6
129.06999	4.8
131.08556	12.8
133.10130	11.9
135.08041	3.1
135.11696	49.4
137.09616	2.7
141.06979	1.5
143.08510	2.4
145.10124	18.2
147.08096	1.1
147.11694	7.1
149.09628	10.8
149.13254	6.3
151.11188	1.9
153.12782	1.7
154.31116	1.0
155.08549	1.9
157.10135	4.0
159.11678	10.0
161.09619	1.4
161.13240	2.4
163.11177	13.6
165.12750	1.5
169.10109	3.0
171.11652	1.3
173.04367	2.0
173.09789	1.1
173.13258	5.0
177.12677	2.4
179.14333	1.4
181.12225	12.3
183.11807	1.2
184.07349	100.0
189.11249	3.4
195.13795	5.0
197.13190	1.6
199.13309	1.8
209.37413	1.3
219.13855	1.1
227.12772	8.4
229.19566	1.1
239.17857	2.4
244.09390	1.2
247.20612	1.9
255.15915	83.4
256.16299	1.2
257.19040	8.7
267.15909	1.5
269.17514	11.3
275.20050	28.7
331.22592	2.7
349.23740	18.2
351.21609	1.8
409.25864	2.8
425.25385	6.2
431.27921	2.0
433.29395	3.0
435.27393	22.9
449.28979	83.1
450.29214	3.7
511.34103	1.5
529.35321	38.4
547.36353	6.4
593.33466	1.9
656.35120	1.4
686.43878	1.1
726.43268	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	743.432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01855	0.7
55.05519	2.8
57.03446	1.7
57.07063	0.7
61.02927	4.7
62.60052	0.6
65.03952	0.6
67.05504	8.4
69.03436	2.5
69.07071	2.7
70.45420	0.7
71.04991	0.8
71.08631	1.7
71.51659	0.6
71.52047	1.0
73.02923	3.4
74.09718	1.6
77.47644	0.6
79.05497	8.3
79.34014	0.6
80.51772	0.5
81.03419	3.8
81.07063	9.3
83.04993	1.4
83.08624	1.7
85.02900	4.6
88.11241	0.6
91.03957	2.9
91.05486	6.3
93.07051	7.0
95.04987	1.9
95.08597	4.4
97.02899	4.5
97.06564	1.6
99.08108	1.0
101.02401	1.5
105.07045	4.0
107.08613	3.9
109.02887	1.1
109.10188	2.2
117.07030	1.0
119.08556	2.9
121.10165	2.0
123.07992	0.7
123.11729	0.8
127.03951	1.3
129.07027	0.8
131.08653	0.7
133.10149	2.1
135.11723	1.6
145.04893	0.6
145.10161	1.4
147.11731	2.5
159.11816	0.7
161.13329	1.4
163.14835	0.7
164.48335	0.6
168.73476	0.6
171.11659	0.9
179.14394	1.7
181.20670	0.6
184.07417	1.5
193.15581	0.6
243.08398	1.3
247.12970	0.9
275.19952	0.7
277.21689	2.3
281.17642	0.7
297.71829	0.6
351.25327	0.9
465.21072	8.1
519.29230	5.6
545.38678	4.3
627.45892	1.3
743.43439	100.0
744.43585	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	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01867	3.5
55.05518	22.2
57.03442	17.9
57.07069	5.2
61.02921	6.7
65.03934	5.4
67.05510	81.7
69.03416	5.4
69.07077	26.5
69.26147	15.9
71.01355	1.9
71.04983	5.9
73.02899	2.4
79.05498	60.8
81.03423	10.9
81.07062	90.7
83.05001	9.0
83.08632	16.2
85.02921	9.2
85.06560	4.7
86.09702	2.6
91.03959	2.6
91.05486	49.8
93.07048	59.6
95.04977	23.9
95.08614	64.6
97.02886	5.2
97.06532	11.2
97.10171	4.7
99.04472	2.6
99.08077	2.4
105.07034	35.3
107.04944	4.1
107.08591	28.6
109.06528	12.0
109.09497	2.1
109.10167	20.7
111.08068	3.1
113.06010	2.4
115.05443	2.1
117.07043	8.9
119.08591	25.0
121.06535	2.4
121.10155	27.7
123.08100	3.9
123.11750	8.4
125.09665	2.6
129.06998	8.5
131.08565	17.6
133.10139	24.3
135.08038	3.1
135.11694	24.1
137.09604	3.6
137.13228	2.9
137.33626	2.0
145.10103	11.9
147.11703	17.1
149.09610	3.3
149.13266	6.9
151.11220	4.5
157.10124	9.8
157.51741	1.7
159.11693	6.8
161.13254	4.7
163.11179	12.7
163.14854	3.5
165.12823	2.9
171.11781	2.1
173.09590	1.9
173.13298	5.5
175.11172	7.7
175.14886	2.2
184.07361	11.2
187.14790	3.1
193.12308	8.4
199.14818	2.2
211.13335	7.3
227.12814	14.3
227.16357	2.1
231.62650	1.8
243.15968	2.1
243.21120	4.0
259.20511	2.0
261.22198	14.3
267.15955	11.3
277.21725	3.7
283.15353	14.3
285.16989	80.2
317.24881	2.5
335.25806	100.0
336.26208	2.0
337.27426	18.9
338.27774	1.7
435.32684	2.8
453.33527	4.7
468.28470	1.7
471.34641	3.1
503.37186	3.5
527.37427	6.6
545.38391	63.8
546.38623	4.7
563.39209	3.6
742.44116	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	743.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
70.87001	2.1
82.99878	1.4
92.03072	1.1
92.86673	1.1
101.00879	6.1
112.89603	6.9
113.00875	2.7
114.89321	1.8
117.09553	1.0
119.01933	8.8
119.02676	1.3
127.02416	2.4
129.00298	1.0
131.01906	5.0
136.98524	3.2
143.01910	19.1
145.03508	6.7
155.01898	16.2
157.03490	4.6
161.02969	12.6
167.01895	11.5
169.03433	1.3
173.02969	13.4
179.01956	3.4
185.02977	29.8
187.04578	2.9
197.01111	1.7
197.02948	11.7
203.03941	6.4
209.03044	1.7
215.03958	6.8
227.03955	7.2
239.01700	5.6
245.05090	100.0
246.05327	3.6
250.97157	2.2
257.02661	3.6
257.05139	6.2
263.06168	11.4
268.98190	2.7
275.06149	10.7
279.03943	1.4
293.07135	1.2
301.84293	1.1
305.07138	11.5
335.08200	4.1
365.09308	33.0
383.10214	1.8
401.02924	1.8
401.07059	29.8
402.07416	1.7
425.11438	30.9
437.11115	2.1
455.12570	3.6
461.04544	1.5
485.13635	2.9
512.17706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.6
55.01868	3.6
55.05514	25.5
57.03452	16.9
57.07081	4.5
60.08148	3.6
60.75980	2.5
61.02924	3.1
65.03940	4.8
67.05508	84.0
67.88769	2.5
69.03423	6.5
69.07073	24.9
71.04981	4.5
71.51678	4.1
79.05493	64.1
81.03421	33.6
81.07059	80.7
81.46532	2.3
82.07395	5.1
83.04974	11.5
83.08618	22.2
85.02892	5.0
85.06565	4.0
86.06112	3.1
86.09713	33.7
91.05485	63.3
93.07050	63.0
95.04983	14.6
95.08605	44.5
97.02872	3.4
97.06524	10.8
97.10157	8.0
99.08099	4.2
105.06381	4.7
105.07031	46.1
107.04926	6.3
107.08604	41.3
109.06532	6.2
109.10167	19.2
111.08057	6.3
117.07032	17.9
119.08584	36.8
121.06559	4.7
121.10144	28.4
123.11732	6.0
125.00018	26.6
125.09618	6.2
129.07024	9.8
131.08575	26.2
133.10136	42.1
135.08057	6.3
135.11690	16.2
143.08551	5.4
145.06496	2.9
145.10106	17.7
146.10481	2.6
147.07991	2.9
147.11673	24.8
149.09619	8.8
149.12216	2.6
149.13219	14.9
151.11131	4.4
157.10168	8.5
159.11685	17.8
161.13318	14.0
163.11261	4.6
165.12769	4.8
169.10152	3.5
170.57491	2.7
171.11682	7.9
173.13277	5.4
175.14920	3.6
177.12794	3.4
181.12231	4.2
184.07358	100.0
185.13188	4.2
189.11221	3.1
193.12296	10.1
195.13799	9.9
199.14752	4.8
211.13280	4.4
227.12758	3.8
231.21106	3.3
241.19617	10.1
259.20596	35.6
261.22229	5.4
267.15915	39.3
269.17499	36.5
285.16922	5.1
315.23260	5.5
333.24249	30.9
335.25851	37.6
435.32492	3.2
453.33435	3.9
527.37341	40.0
545.38470	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01866	3.1
55.05268	1.6
55.05514	20.3
55.84305	0.9
57.03442	16.8
57.07066	1.2
60.08163	1.2
61.02918	3.4
65.03931	4.0
67.05508	55.8
69.03425	4.3
69.07067	15.8
69.20480	10.2
71.05004	5.0
73.02908	1.2
77.81889	0.9
79.05497	53.2
81.02931	1.8
81.03421	45.9
81.07059	64.9
83.04981	13.1
83.08618	21.0
85.02908	21.8
85.06534	4.1
86.09718	4.9
91.03948	1.6
91.05487	40.0
93.07047	46.8
95.04972	22.1
95.08611	39.3
97.02892	5.0
97.06512	4.7
97.10172	3.9
99.08071	1.6
105.04518	1.6
105.07034	30.9
107.04954	6.3
107.08595	22.5
109.06535	5.6
109.10172	15.8
111.04447	2.8
111.08094	9.0
113.05956	1.8
115.05476	1.6
117.06994	6.0
119.08595	23.7
121.06506	1.7
121.10149	21.5
123.08067	3.7
123.11697	5.2
124.99994	3.8
129.06990	9.1
131.08583	14.8
133.06505	2.3
133.10143	17.3
135.11684	11.1
137.09634	1.9
137.13307	1.8
142.07765	1.8
145.10126	6.7
147.08089	2.5
147.11684	15.1
149.09605	5.9
149.13258	4.1
151.11194	2.2
155.08554	1.4
157.10124	11.3
159.11681	4.3
161.13278	3.3
163.11150	1.7
163.14787	1.9
165.12723	1.8
173.13264	4.0
175.11209	11.3
175.14764	1.7
184.07333	13.0
185.07703	3.4
186.07686	1.5
187.14767	1.4
193.12242	33.2
211.13295	49.7
227.12637	1.2
243.21205	2.8
261.22165	10.4
267.15930	14.3
269.17310	1.0
281.29501	1.0
285.16968	54.2
286.17224	1.6
299.23737	1.7
301.25067	1.3
317.24707	3.6
327.22809	1.1
335.25821	92.8
336.26147	3.3
435.32410	1.4
453.33423	2.9
466.17712	1.3
471.34344	1.1
527.30139	1.2
527.37341	12.2
545.38397	100.0
546.38599	5.3
652.44128	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01868	2.7
55.05273	1.2
55.05516	14.9
57.03442	11.9
57.07065	1.3
59.05001	1.2
61.02919	2.5
65.03937	2.1
67.05511	39.7
69.03415	3.9
69.06780	1.1
69.07074	11.5
69.91759	2.5
69.92175	4.0
71.04989	3.8
79.05496	32.1
81.03423	44.9
81.07066	37.8
83.04976	10.8
83.08628	20.2
85.02433	1.6
85.02911	17.6
85.06539	2.4
86.09709	2.6
90.43744	1.0
91.05486	29.8
93.06475	1.9
93.07053	32.0
95.04964	18.5
95.08613	30.0
97.02894	3.9
97.06561	2.1
97.10146	3.0
98.20686	1.0
99.08079	1.8
105.04570	1.1
105.07036	19.8
107.04965	4.9
107.08593	16.4
109.06560	2.9
109.10171	10.2
111.04466	2.6
111.08092	6.9
113.06032	1.4
115.05460	1.4
117.07019	4.4
119.08591	16.9
121.06496	1.8
121.10138	13.4
123.08060	2.2
123.11697	4.5
125.00013	1.7
125.09618	2.0
129.07019	8.6
131.08594	11.8
133.06512	2.5
133.10149	9.6
135.11694	7.3
137.09598	1.2
142.07768	1.8
145.10129	4.2
147.11699	11.3
149.09634	4.4
149.13272	2.9
157.10143	11.0
159.11697	3.1
161.13286	1.7
163.11195	3.0
163.14789	1.9
165.12793	3.4
173.13217	1.7
175.11188	12.5
181.12369	1.0
184.07378	7.5
187.14772	1.3
193.10492	1.8
193.12247	34.8
197.57722	1.0
211.13301	51.6
227.12758	2.3
228.13278	1.6
239.28235	1.1
243.21182	1.3
261.22113	6.5
267.15906	9.8
283.15451	1.8
285.16986	43.0
305.77872	1.1
317.24744	2.4
335.25821	49.4
336.26178	2.7
379.38641	1.3
394.09555	1.2
435.32730	1.5
453.33838	1.8
455.07971	1.3
527.37372	7.4
544.29248	1.2
545.38397	100.0
546.38538	4.4
582.48389	1.2
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
53.03948	6.2
54.19507	1.0
55.01887	2.6
55.05513	26.8
56.48036	1.0
56.81729	1.0
57.03442	22.3
61.02918	4.8
65.03930	2.9
67.05510	61.2
69.03426	4.9
69.07072	15.3
70.06116	4.6
71.04990	5.9
71.82154	1.2
73.02920	1.3
79.05499	49.0
81.03422	69.9
81.07063	65.6
83.04986	18.5
83.08150	1.7
83.08623	23.9
83.60437	1.0
85.02435	2.2
85.02911	27.7
85.06528	3.6
91.03973	1.9
91.05485	45.6
93.07047	46.7
93.07637	2.3
95.04975	28.1
95.08608	39.5
97.02887	5.0
97.06532	6.4
97.10190	6.6
99.08089	3.0
105.04476	1.7
105.07037	33.8
107.04963	8.7
107.08599	26.2
109.06541	6.3
109.10162	12.7
111.04454	1.6
111.08091	12.0
113.06059	2.2
115.05463	2.3
117.07030	6.6
119.08591	25.4
121.06503	2.1
121.10155	24.9
123.08066	3.8
123.11729	5.8
125.09657	2.7
129.07001	13.3
131.08574	20.4
133.06514	3.4
133.10141	18.5
135.11703	9.7
137.09593	1.8
142.07787	3.1
143.08577	1.3
145.10091	7.5
147.08051	3.8
147.11694	19.1
149.09645	7.5
149.13254	5.1
157.10146	15.7
159.11696	4.2
161.13261	2.7
163.11069	1.3
163.14825	2.6
165.12758	2.1
173.13309	3.6
174.34840	1.2
175.11198	17.5
175.14784	1.8
193.12257	52.9
194.55502	1.4
197.13229	1.3
201.16371	1.7
205.12329	1.1
211.13297	88.7
212.13634	1.8
243.21095	4.7
261.22153	9.4
267.15961	20.1
280.37485	1.1
285.16980	88.6
286.17072	1.5
314.69629	1.2
317.24854	3.7
335.25806	87.7
336.26202	2.1
353.89069	1.1
435.32425	3.1
453.33630	2.1
527.37451	11.5
540.74353	1.2
545.38416	100.0
546.39111	5.9
572.48376	1.2
748.94281	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.05033	0.6
57.45217	0.2
58.06356	0.3
58.06623	0.5
60.01665	0.2
60.08168	6.3
62.79028	0.2
67.05504	1.2
69.03429	0.3
69.07071	0.5
70.06576	0.2
71.07380	3.7
75.68492	0.2
79.05518	0.9
81.03442	0.2
81.07053	1.2
83.04968	0.3
83.08647	0.3
86.09708	30.4
87.10052	0.2
89.06058	0.2
91.05492	1.1
92.58488	0.2
93.07034	1.0
95.04976	0.3
95.08611	0.6
95.13345	0.2
97.06564	0.3
97.10161	0.2
98.98462	3.6
104.10743	2.5
105.07034	0.8
107.08603	0.7
109.10167	0.4
117.07006	0.2
119.08539	0.4
121.10152	0.4
125.00010	20.3
131.08563	0.2
133.10129	0.6
135.11720	0.3
143.08607	0.2
145.10129	0.3
147.11705	0.3
149.13345	0.2
159.11646	0.2
184.07347	100.0
185.07671	0.8
231.82724	0.2
259.20374	0.2
443.04108	0.2
464.24271	0.2
545.34821	0.3
724.45538	6.9
725.45410	0.3
742.43042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01864	5.3
55.05511	20.5
57.03441	13.1
65.03932	1.6
67.05175	2.2
67.05508	25.6
69.03423	4.8
69.07079	8.8
70.95860	2.4
71.01391	1.4
71.04997	6.3
79.05495	25.0
81.03422	56.3
81.07057	23.9
83.04989	5.3
83.08621	18.6
83.26664	1.5
85.02885	1.8
85.06554	1.6
91.05485	19.4
92.14642	1.2
93.07053	21.1
95.04974	22.0
95.08087	1.6
95.08611	10.0
97.02906	2.5
97.06550	3.9
97.10170	17.0
105.07034	13.5
107.04956	20.5
107.08605	13.1
109.06499	15.7
109.10161	7.3
111.04440	3.3
111.08086	5.2
117.07015	6.3
119.08591	13.0
121.06516	13.2
121.10142	14.3
123.04432	1.7
123.08073	5.4
125.09634	15.2
129.07011	9.7
131.08588	16.1
133.06523	3.8
133.10149	8.3
135.08066	8.3
135.11700	2.8
137.09645	3.6
139.11200	2.5
142.07780	2.0
143.08557	2.2
145.06519	4.8
145.10149	5.1
147.04480	2.6
147.08070	5.5
147.11665	7.4
149.09642	5.9
153.09163	2.1
153.12729	1.4
157.06494	1.4
157.10114	8.5
159.08060	2.0
159.11687	2.0
161.05965	1.4
161.09598	2.7
163.11192	4.4
165.12752	2.7
167.10620	1.7
171.08051	3.2
171.10274	2.3
171.11688	1.7
173.09717	1.7
173.13329	2.1
175.11198	7.6
177.17963	1.4
184.07372	5.5
185.11607	1.2
186.89523	1.5
187.11232	2.6
187.87135	1.2
189.11220	5.4
189.12825	2.4
191.14322	3.8
193.12259	19.4
195.11681	2.2
197.13304	1.7
199.11188	2.7
199.13266	1.9
201.12799	1.9
205.12192	2.2
211.11426	1.8
211.13306	5.8
215.14424	2.1
219.13821	12.0
223.13300	1.7
227.12775	4.5
227.14723	1.5
233.15506	4.3
235.13304	1.3
236.91367	1.3
237.12737	1.8
241.14203	1.8
259.15536	8.4
267.15942	47.3
268.16220	1.6
273.14639	5.9
273.68942	1.2
283.15463	1.7
285.16885	1.9
293.17587	6.1
297.30014	1.3
301.16443	3.9
317.15866	2.2
339.23257	2.9
349.21600	5.0
357.24023	2.1
367.22717	17.2
385.23657	24.2
403.24820	7.7
405.24619	1.5
441.26248	8.8
451.26785	4.0
459.27417	100.0
460.27744	5.0
477.28516	95.7
478.28760	3.6
481.99191	1.6
491.30161	8.0
495.29440	8.5
501.28375	2.6
509.31033	3.6
527.28088	3.0
567.29675	2.8
632.83307	1.5
633.41180	1.4
714.39728	1.4
729.78400	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01864	4.1
55.05520	12.0
57.03449	5.9
57.07076	2.1
57.20493	1.0
58.16154	1.2
60.08171	6.2
61.02926	1.6
65.03925	1.4
67.05508	40.4
69.03435	3.8
69.06778	1.0
69.07079	10.7
71.01371	1.3
71.04983	4.1
71.07370	4.5
79.05500	25.7
80.05824	1.5
81.03432	5.4
81.07064	30.9
83.04996	9.6
83.08614	4.1
85.02914	1.6
85.06543	4.2
86.09714	34.9
91.05486	27.9
93.06484	2.2
93.07052	35.0
95.04984	7.6
95.08609	14.2
97.02874	2.0
97.06503	5.7
97.10157	3.0
97.47472	1.1
98.98481	4.3
99.08098	2.0
104.10737	2.7
105.04497	1.6
105.06324	1.1
105.07034	22.6
107.04951	3.8
107.08602	27.1
109.02876	1.0
109.06509	3.6
109.10162	26.1
111.04447	1.3
111.08076	2.4
113.06014	1.3
117.07034	4.8
119.08576	9.7
121.06508	3.0
121.10166	6.4
123.08090	2.4
123.11723	3.2
125.00007	23.5
125.09624	2.1
129.06993	2.6
130.08632	2.5
131.08588	6.9
133.06447	2.2
133.10139	29.0
134.10464	1.2
135.08067	5.4
135.11702	18.4
137.09572	1.7
143.08578	3.3
145.10149	9.6
147.08070	1.2
147.11710	3.6
149.09642	3.5
149.13303	2.4
151.11203	13.6
157.10170	1.5
159.08083	1.7
159.11754	3.1
161.09669	3.1
161.13264	1.8
163.11186	3.2
169.12250	2.2
171.11719	1.2
173.13237	1.2
175.11215	2.3
181.12260	3.7
184.07355	100.0
185.07513	1.0
197.13275	1.0
199.14850	1.3
215.12686	1.6
225.41708	1.0
241.19574	1.1
245.19110	1.1
253.14372	45.3
254.14586	1.9
255.15872	27.3
273.18512	14.9
283.15564	1.6
291.19556	13.0
309.20477	1.1
334.32785	1.2
347.22272	5.7
347.54364	1.1
365.23267	11.1
406.44406	1.1
451.26871	22.8
527.33911	3.2
545.34760	33.9
562.36932	1.1
614.15399	1.2
724.45044	4.3
742.42700	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69822	0.2
55.01873	0.5
55.05510	1.1
56.05038	0.7
57.03437	0.8
58.06616	0.3
60.08167	5.9
61.02916	0.3
65.03944	0.2
67.05511	2.5
69.03434	0.4
69.07069	0.6
69.07433	0.2
70.06595	0.4
70.69156	0.3
71.04996	0.3
71.07378	3.0
71.92149	0.2
79.05497	2.0
81.03426	2.6
81.07056	2.0
82.03757	0.2
83.04993	1.0
83.08620	1.0
85.02917	0.4
85.06548	0.4
86.09711	29.4
87.10085	0.3
91.05485	1.8
92.60914	0.2
93.07047	1.8
95.04972	1.8
95.08627	0.9
97.02895	0.7
97.06546	0.3
97.10184	0.4
98.98474	2.9
104.10744	2.4
105.07048	1.5
107.04964	0.8
107.08631	1.0
109.05247	0.2
109.06483	0.3
109.10153	1.2
111.04424	0.5
111.08087	0.4
117.07011	0.5
118.56084	0.2
119.08612	0.9
121.10146	0.8
123.08075	0.3
125.00011	19.7
125.06023	0.2
125.09630	0.5
129.05504	0.2
129.07011	0.7
131.04878	0.2
131.08551	1.0
133.10158	0.8
135.08049	0.2
135.11688	0.5
143.01079	0.3
145.10110	0.5
147.08145	0.3
147.11755	0.4
149.09578	0.3
151.11195	0.3
153.07091	0.2
154.24171	0.2
157.10117	0.5
163.11201	0.6
173.09647	0.3
175.11163	0.5
181.12302	0.2
184.07349	100.0
185.07690	0.7
191.10600	0.3
193.12283	1.1
199.13194	0.3
201.68704	0.2
209.11749	0.7
211.13348	0.7
221.55371	0.2
227.12720	0.5
229.14299	0.7
241.18019	0.2
249.14705	0.2
267.16013	1.5
268.16345	0.3
283.15384	1.1
285.16833	0.5
301.16510	0.6
317.15997	0.3
385.23755	0.3
437.25430	0.2
459.22241	0.2
459.27521	2.5
476.27325	0.2
477.28253	1.5
495.28607	0.5
509.27380	0.4
527.28094	0.8
642.34021	11.9
643.33545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2247
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
53.03946	0.5
55.05503	0.7
55.12078	0.2
55.16477	0.2
55.17292	0.2
57.03446	2.3
59.05008	0.2
61.02929	0.4
67.05509	0.3
68.99787	0.5
69.03430	1.8
71.01342	0.4
71.05001	11.8
71.50732	0.2
71.51078	0.2
71.53415	0.2
73.02917	1.3
75.04472	0.6
77.99570	0.2
81.03403	0.5
83.04984	3.8
85.02912	17.0
87.04459	0.7
95.04972	0.6
95.40062	0.2
97.02897	1.0
97.06548	0.2
99.04447	0.6
101.05965	0.2
107.04976	0.2
109.02877	0.5
111.00825	0.3
111.04449	2.7
113.05988	0.5
117.05490	0.5
121.02883	2.1
127.03938	0.9
129.05492	4.4
131.14120	0.2
133.02882	0.4
137.02338	0.4
145.04948	0.6
147.04387	0.3
147.06541	1.7
148.45737	0.2
153.01857	2.4
153.05460	0.7
159.06468	0.3
163.06033	0.7
165.01842	1.2
183.02951	0.5
185.06029	0.5
192.58371	0.2
201.07582	0.4
213.05472	0.8
213.07420	0.4
231.06511	0.6
239.09239	0.9
241.05035	0.9
257.10214	0.2
258.05338	0.9
259.06076	0.4
266.49182	0.2
275.11197	0.4
287.05521	100.0
288.05887	2.1
299.05704	0.5
329.06580	1.4
353.06796	0.2
397.08911	0.4
400.09897	0.2
433.11322	0.9
449.10669	1.0
496.44504	0.2
652.97900	0.2
754.62872	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	741.2235
Annotation	Kaempferol-3-Galactoside-6''-Rhamnoside-3'''-Rhamnoside
Peak:m/z	Relative Intensity
52.15057	0.3
55.01862	0.4
55.05501	0.7
57.03441	2.1
61.02920	0.5
65.41961	0.3
69.03425	1.2
70.84432	0.6
71.01347	0.6
71.05000	12.1
73.02915	1.4
75.04488	0.6
81.03423	0.4
83.04991	3.5
84.08302	0.3
85.02911	17.8
87.04488	0.4
93.45752	0.3
95.04999	0.3
97.02892	1.1
98.20809	0.4
99.04474	0.7
103.03950	0.4
109.02907	0.6
111.00814	0.4
111.04469	2.3
117.05486	0.3
121.02879	1.8
127.03924	1.3
129.05482	5.0
133.02866	0.4
137.02391	0.7
145.04979	0.4
147.06552	2.0
153.01830	2.1
153.05440	0.8
157.05019	0.4
157.06476	0.4
163.06030	0.6
165.01855	1.3
183.02980	0.6
203.07143	0.4
213.05556	0.8
213.07486	0.4
231.06718	0.6
239.09225	0.6
241.05008	0.5
255.08676	0.4
275.11462	0.4
287.05524	100.0
288.05930	2.7
293.12149	0.4
293.79141	0.3
299.05472	0.6
329.06616	0.8
377.51840	0.4
397.09299	0.9
433.11383	0.9
449.10785	1.2
544.12054	0.3
547.33588	0.4
700.29895	0.4
751.62781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01430	0.1
55.05511	0.4
56.05032	0.7
57.03440	0.3
57.07078	0.3
58.06378	0.2
58.06627	0.5
59.07392	0.3
60.08168	6.1
65.03945	0.2
67.05517	1.5
69.03436	0.2
69.07070	0.5
70.06581	0.2
71.04980	0.1
71.07378	3.3
71.50705	0.1
71.51144	0.2
79.05489	0.7
81.03421	0.3
81.07065	1.4
83.08602	0.3
86.09711	30.5
87.10061	0.2
91.05486	0.7
93.07039	0.9
95.04954	0.1
95.08606	0.8
97.02887	0.2
98.98473	3.0
103.05450	0.1
104.10742	2.1
105.07027	0.4
107.04939	0.3
107.08588	0.5
109.06438	0.2
109.10180	0.5
117.06992	0.2
119.08593	0.4
121.10137	0.4
125.00012	19.3
125.09673	0.2
131.08569	0.4
133.10127	0.4
135.11720	0.2
137.09589	0.2
145.10136	0.4
147.11771	0.2
149.09608	0.2
151.11218	0.1
157.88773	0.1
161.13411	0.3
163.11180	0.2
184.07352	100.0
185.07715	0.7
264.76392	0.2
275.20047	0.2
283.15369	0.5
335.25687	0.6
366.52261	0.2
406.07202	0.1
435.02615	0.1
496.33646	0.2
543.36780	0.8
650.43945	8.7
651.43793	0.3
740.47040	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	740.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38633	1.2
53.03947	5.7
55.01868	7.4
55.03073	1.2
55.05514	13.6
57.03438	5.6
57.07070	2.2
58.06609	1.9
65.03946	2.1
66.43184	1.0
67.05507	38.7
69.07073	21.9
69.49970	1.0
69.87620	5.6
70.06601	2.1
71.04996	2.5
79.05072	1.9
79.05499	26.3
81.03419	5.7
81.06592	2.6
81.07061	48.6
82.07393	2.0
83.04967	4.9
83.08612	7.1
84.08121	1.1
85.02890	1.6
85.06542	3.2
86.06089	1.2
86.09710	2.4
87.04432	1.6
91.05480	30.2
93.07048	34.7
95.01324	3.2
95.04967	4.3
95.08609	19.0
97.02871	1.6
97.06528	19.7
97.10170	3.7
99.08067	1.9
105.07037	40.7
107.04987	7.1
107.08593	18.1
109.06518	3.1
109.10149	7.6
111.04443	1.4
111.08075	3.6
111.26614	1.2
113.09702	1.3
117.07021	10.4
119.08582	19.6
121.06487	2.0
121.10143	10.4
123.11738	2.8
124.99989	1.3
125.09600	1.4
129.07016	2.5
130.08636	1.5
131.08585	13.0
133.09143	1.4
133.10130	23.5
135.08060	2.7
135.11641	6.0
137.09575	1.7
143.08536	2.0
145.06464	2.7
145.10132	8.4
147.11681	8.7
149.09601	4.5
149.13235	10.6
151.11150	2.5
157.10152	2.9
159.11723	9.6
161.13231	2.7
163.11185	3.9
169.10016	1.2
171.11682	2.1
173.13307	2.8
173.70343	1.2
177.12695	2.7
179.14371	5.9
184.07358	8.0
195.13866	2.8
197.13316	1.7
227.12859	2.6
247.20488	1.6
257.18951	2.8
269.17480	34.2
275.20117	32.5
279.15765	2.6
283.15466	4.0
293.21033	1.7
335.25690	4.7
339.26956	1.6
349.23727	13.0
380.56760	1.2
445.68536	1.5
465.35397	1.4
507.39331	1.9
525.35596	2.2
543.36841	100.0
544.37115	5.8
561.37506	2.9
695.44098	1.4
740.43512	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	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01871	3.0
55.05515	14.7
57.03443	9.4
57.07062	1.5
65.03954	2.2
67.05507	44.3
68.55682	1.2
69.03416	1.7
69.07068	12.0
71.04997	3.2
79.05497	43.0
81.03418	2.3
81.07060	47.2
83.01427	1.3
83.04973	3.9
83.08619	8.6
85.02924	1.2
85.06523	1.6
88.91226	0.9
91.05490	17.2
93.07047	58.0
94.07413	1.1
95.04976	7.8
95.08614	57.8
97.02912	2.8
97.06526	4.3
97.10204	1.4
99.04464	4.6
103.05454	1.5
105.04510	1.6
105.07031	13.8
107.04959	9.2
107.07876	2.5
107.08599	39.0
109.06513	3.7
109.10165	11.2
111.08068	3.1
117.07032	10.6
119.08590	14.7
121.06513	6.7
121.10155	20.2
123.11706	2.3
125.05989	2.1
130.07768	2.0
131.08577	4.1
133.10127	6.8
135.08075	3.6
135.11694	49.2
136.12025	1.4
139.07591	1.7
145.10126	29.3
147.11685	1.6
149.13310	2.5
159.11713	2.8
161.13255	2.2
163.11192	59.9
173.13220	2.2
181.12242	10.8
184.07378	3.8
209.11638	2.8
227.12796	84.6
228.13129	1.4
230.33836	1.2
243.21184	3.3
261.22076	8.2
283.15421	100.0
284.15656	3.2
317.24545	2.0
335.25818	96.3
336.26099	3.7
543.36871	86.5
544.37213	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	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80630	0.4
53.03951	2.2
55.01875	2.7
55.05515	12.9
55.05761	0.9
57.03442	7.7
57.07040	1.3
60.08143	0.9
61.02903	1.0
65.03905	1.8
67.05508	37.0
67.05837	1.4
68.05795	0.4
69.03389	1.9
69.07069	11.0
71.04991	2.6
71.07346	0.6
73.02879	1.2
77.03922	0.5
79.05497	33.6
81.03432	2.2
81.07059	41.0
81.07510	1.4
82.07375	0.5
83.04988	2.7
83.08622	9.4
85.02867	1.0
85.06506	0.8
86.09702	4.1
91.03891	0.5
91.05486	14.1
93.07049	47.2
95.04977	6.5
95.08612	44.7
96.08889	0.6
96.96272	0.5
97.02896	3.1
97.06531	4.2
97.10184	2.3
98.98417	0.5
99.04459	3.3
99.08073	0.7
105.04527	1.0
105.07030	10.6
107.04959	5.9
107.08600	28.8
109.06519	2.3
109.10162	11.8
111.04399	1.1
111.08028	1.5
113.05984	0.6
117.07025	7.5
119.08588	11.0
121.06509	4.5
121.10152	16.5
123.08063	0.6
123.11710	3.2
125.00007	2.8
125.05958	1.6
129.06964	0.8
130.07736	1.2
131.07712	0.5
131.08569	4.6
133.10132	5.6
135.08025	1.3
135.11702	37.7
136.12038	0.5
137.13202	0.9
139.07556	0.9
139.11098	0.5
143.08580	0.7
145.10135	19.3
147.11627	1.6
149.13274	2.7
151.15019	0.5
153.12723	1.1
159.11673	2.1
161.13217	1.9
163.11189	40.8
163.14810	1.2
164.11578	0.7
173.09653	0.7
173.13290	2.0
175.14775	0.6
175.35081	0.4
181.12242	7.1
184.05815	0.9
184.07352	14.0
187.14769	1.0
209.11661	1.3
224.71471	0.5
227.12796	51.0
228.12979	1.1
229.40045	0.4
243.21103	2.0
261.22186	7.1
283.15405	47.0
284.15707	0.9
317.24796	1.6
335.25812	100.0
336.26123	4.2
501.56058	0.4
536.18365	0.5
543.36847	72.6
544.37097	3.9
599.50183	0.7
645.93042	0.4
650.42828	0.8
743.60620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
53.14330	1.0
55.01870	7.9
55.05514	25.1
57.03439	14.7
57.07066	3.4
59.04991	2.7
61.02936	5.2
63.17612	0.9
65.03944	2.0
67.05509	56.8
69.03418	4.0
69.07071	16.2
69.24900	5.7
69.25311	2.6
71.04979	3.4
73.02927	1.7
73.06570	0.9
75.72350	0.9
79.05499	46.3
80.05116	0.9
81.03426	10.7
81.07062	56.2
83.01343	8.5
83.04987	12.2
83.08628	16.1
85.02904	8.2
85.06556	1.9
86.09671	1.6
91.03942	2.9
91.05486	27.4
93.07049	56.7
94.07380	1.3
95.04974	8.6
95.08609	42.4
97.02883	5.9
97.06525	7.1
97.10156	3.4
98.20744	1.9
99.04442	2.8
99.08097	1.4
100.44662	0.9
103.05467	0.9
105.04525	1.0
105.06398	1.8
105.07048	19.4
105.09732	1.0
107.04939	7.4
107.08600	30.3
109.06536	6.5
109.10159	15.5
110.83075	0.9
111.04438	3.0
111.08087	2.5
115.05379	1.2
115.97653	0.9
117.07022	13.6
119.07700	1.1
119.08592	18.4
121.06496	3.1
121.09322	1.7
121.10147	22.4
122.89043	0.8
123.08084	8.1
123.11720	4.4
125.09653	5.4
129.06976	2.2
130.07826	2.1
131.08562	13.6
133.10146	9.4
135.08047	1.8
135.11707	23.4
137.09622	2.2
137.13246	2.1
143.08571	2.0
145.10130	22.8
147.08025	1.4
147.11662	5.0
149.09610	1.5
149.13254	5.3
151.11295	1.1
153.12755	2.8
155.08578	1.5
159.11678	7.5
161.13257	4.2
161.14444	0.9
163.11201	23.4
163.14877	3.4
169.10191	1.4
173.09645	2.0
173.13318	5.3
175.14806	1.8
177.16399	1.4
181.12253	4.5
184.07352	3.5
187.14825	2.4
189.11284	1.8
191.10628	2.6
193.12187	1.8
201.16394	1.0
209.11761	6.3
227.12788	11.3
241.19478	1.2
243.21127	5.6
259.20599	1.8
261.22183	18.1
267.15964	2.1
277.18686	1.0
277.21680	1.7
283.15417	94.8
284.15872	1.6
299.23682	5.5
317.24698	5.5
331.38242	0.9
333.24313	1.6
335.25827	100.0
336.26108	2.2
423.32886	1.2
433.30859	2.2
451.32062	3.8
469.33337	1.6
487.34570	1.5
525.35541	3.7
543.36853	73.4
544.37579	4.4
561.37860	1.8
735.51410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
53.14330	1.0
55.01870	7.9
55.05514	25.1
57.03439	14.7
57.07066	3.4
59.04991	2.7
61.02936	5.2
63.17612	0.9
65.03944	2.0
67.05509	56.8
69.03418	4.0
69.07071	16.2
69.24900	5.7
69.25311	2.6
71.04979	3.4
73.02927	1.7
73.06570	0.9
75.72350	0.9
79.05499	46.3
80.05116	0.9
81.03426	10.7
81.07062	56.2
83.01343	8.5
83.04987	12.2
83.08628	16.1
85.02904	8.2
85.06556	1.9
86.09671	1.6
91.03942	2.9
91.05486	27.4
93.07049	56.7
94.07380	1.3
95.04974	8.6
95.08609	42.4
97.02883	5.9
97.06525	7.1
97.10156	3.4
98.20744	1.9
99.04442	2.8
99.08097	1.4
100.44662	0.9
103.05467	0.9
105.04525	1.0
105.06398	1.8
105.07048	19.4
105.09732	1.0
107.04939	7.4
107.08600	30.3
109.06536	6.5
109.10159	15.5
110.83075	0.9
111.04438	3.0
111.08087	2.5
115.05379	1.2
115.97653	0.9
117.07022	13.6
119.07700	1.1
119.08592	18.4
121.06496	3.1
121.09322	1.7
121.10147	22.4
122.89043	0.8
123.08084	8.1
123.11720	4.4
125.09653	5.4
129.06976	2.2
130.07826	2.1
131.08562	13.6
133.10146	9.4
135.08047	1.8
135.11707	23.4
137.09622	2.2
137.13246	2.1
143.08571	2.0
145.10130	22.8
147.08025	1.4
147.11662	5.0
149.09610	1.5
149.13254	5.3
151.11295	1.1
153.12755	2.8
155.08578	1.5
159.11678	7.5
161.13257	4.2
161.14444	0.9
163.11201	23.4
163.14877	3.4
169.10191	1.4
173.09645	2.0
173.13318	5.3
175.14806	1.8
177.16399	1.4
181.12253	4.5
184.07352	3.5
187.14825	2.4
189.11284	1.8
191.10628	2.6
193.12187	1.8
201.16394	1.0
209.11761	6.3
227.12788	11.3
241.19478	1.2
243.21127	5.6
259.20599	1.8
261.22183	18.1
267.15964	2.1
277.18686	1.0
277.21680	1.7
283.15417	94.8
284.15872	1.6
299.23682	5.5
317.24698	5.5
331.38242	0.9
333.24313	1.6
335.25827	100.0
336.26108	2.2
423.32886	1.2
433.30859	2.2
451.32062	3.8
469.33337	1.6
487.34570	1.5
525.35541	3.7
543.36853	73.4
544.37579	4.4
561.37860	1.8
735.51410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01871	9.9
55.05514	50.9
57.03441	29.2
59.05006	23.9
61.02918	5.6
65.03944	5.2
67.05509	100.0
69.03420	8.2
69.07072	13.9
69.86050	3.9
69.86437	3.8
71.05001	18.4
73.02913	2.6
74.73611	1.6
79.05499	53.4
81.03424	75.1
81.07063	60.4
83.04987	24.4
83.08624	30.6
85.02912	31.1
85.06535	6.0
87.04473	30.8
91.03955	3.2
91.05489	66.6
93.07046	33.7
95.04978	31.4
95.08604	17.2
95.15454	1.7
97.02931	8.3
97.06514	8.2
97.10174	18.7
98.21396	2.5
99.04478	21.2
101.06020	1.8
105.07046	30.5
107.04954	15.5
107.08606	18.0
109.02869	1.5
109.06506	6.4
109.10162	53.1
111.04452	10.0
111.08080	10.8
113.06006	3.2
115.03940	2.8
117.07001	5.4
119.08587	28.8
121.06564	4.3
121.10155	12.6
123.08092	5.8
124.17038	1.6
125.05972	2.2
125.09645	19.4
128.06255	1.8
129.05493	2.5
129.07022	15.2
131.08571	19.3
133.06487	4.1
133.10117	17.8
135.08116	2.3
135.11720	6.2
137.09579	4.0
137.38844	1.6
142.07840	3.1
145.10114	11.7
147.08049	4.5
147.11693	20.9
149.09636	7.8
153.12796	2.8
155.10666	6.0
157.10133	15.2
157.12279	2.0
163.11230	9.4
165.12759	3.2
173.09619	2.6
173.11726	12.5
175.11200	16.5
181.12190	5.4
184.07329	2.1
191.10652	4.5
193.12256	54.6
199.13295	11.3
209.11751	5.6
211.13298	71.4
217.14340	2.4
223.13249	3.6
227.12819	7.1
229.14357	56.2
229.16599	3.7
230.14616	2.2
241.14418	5.4
265.14209	2.0
267.15936	38.6
283.15552	5.2
285.17004	46.9
301.16415	2.7
315.18039	8.5
409.25964	9.4
421.25793	20.2
427.26871	8.9
439.26990	62.3
461.29068	1.9
468.75580	1.7
475.26697	8.3
493.27896	5.4
511.28598	2.5
525.30463	5.8
543.31531	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	740.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01883	1.1
55.05511	6.5
55.54084	0.7
57.03435	4.6
61.02924	0.8
65.03924	1.1
67.05507	19.7
69.03434	1.4
69.07061	3.6
69.72673	0.9
71.04993	9.1
79.05495	11.7
81.03422	19.1
81.07063	31.8
83.04975	3.3
83.08631	7.1
84.55558	0.8
85.02908	1.0
85.06533	3.4
87.04483	0.9
91.05485	14.9
93.07049	10.6
95.04980	13.5
95.08611	5.8
97.02890	1.0
97.06566	1.8
97.10201	4.1
100.77280	0.8
105.07035	10.1
105.14330	0.8
107.04972	8.7
107.08600	7.8
109.06511	6.2
109.10155	3.6
111.08077	2.5
115.05336	0.9
117.07023	3.4
119.08590	4.6
121.06511	6.9
121.10146	5.2
123.08095	1.7
123.11705	5.2
125.09640	3.3
129.07028	4.9
131.04947	1.0
131.08562	7.7
133.06496	2.2
133.10133	8.2
135.08032	2.4
135.11685	1.9
137.09602	1.0
141.06886	0.8
143.08562	2.5
145.06477	1.7
145.10120	3.0
147.08032	2.0
147.11688	3.0
149.09608	2.6
149.13266	1.8
151.11165	1.9
155.08585	1.4
157.10147	4.1
159.08080	1.3
159.11664	2.5
163.11266	1.2
165.12799	1.1
167.08644	0.8
169.10155	0.9
169.12230	1.1
171.11702	2.1
173.09662	0.9
173.13339	2.0
175.11192	3.0
177.12668	1.7
183.11719	1.2
183.13829	1.1
189.11182	1.5
191.14308	1.7
193.12254	4.8
199.14926	1.0
201.12711	0.8
205.12305	1.2
211.13303	0.8
217.15982	1.6
219.13840	3.6
267.15942	7.9
269.17560	1.1
275.16467	1.2
275.20297	0.7
301.20099	4.5
317.77698	0.8
325.21359	1.4
343.22809	5.6
351.23175	1.4
361.23648	1.1
369.24203	2.5
371.25861	1.2
387.18735	1.1
387.25064	1.9
389.52179	0.9
407.25867	1.3
417.26297	3.1
425.27017	1.9
435.27451	17.2
443.28055	9.4
461.29010	100.0
462.29660	4.0
475.30472	1.6
493.31540	6.1
587.32092	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01676	1.4
55.01883	15.8
55.05517	22.3
57.03439	18.0
57.07079	1.7
59.04997	3.5
60.09142	1.6
61.02925	3.3
65.03952	1.7
67.05180	2.8
67.05511	38.9
69.03445	8.4
69.07070	12.6
71.04977	5.7
73.02927	4.2
79.05497	36.6
81.03426	100.0
81.07060	27.0
82.04221	3.8
83.04987	19.8
83.08623	24.4
84.05784	1.9
85.02912	3.2
87.04453	1.9
89.49528	1.8
91.05486	33.1
93.07053	24.3
95.04975	35.2
95.08609	14.9
95.87575	1.8
97.02889	8.9
97.06535	8.1
97.10175	15.9
98.07313	5.7
99.04420	2.1
99.08086	2.9
105.07037	18.9
107.04960	17.0
107.08610	18.8
109.06534	4.9
109.10152	17.4
111.04464	11.6
111.08099	12.4
115.05464	2.4
116.04708	9.1
117.05470	1.7
117.07033	5.7
119.04962	2.3
119.08596	19.0
121.02853	4.2
121.06503	9.5
121.10171	11.1
123.04468	1.7
123.08062	5.6
125.09649	14.6
129.05492	23.8
129.06966	11.5
130.07838	1.6
131.08571	10.7
133.06514	5.4
133.10120	10.8
134.51143	1.9
135.08127	4.2
135.11720	11.4
135.12570	2.0
137.09593	3.4
142.07813	3.2
143.07048	4.5
143.08528	2.8
145.10135	6.3
147.08043	4.3
147.11708	12.5
149.09610	6.3
153.12767	21.7
155.08572	3.0
155.10651	2.7
157.08621	10.7
157.10127	10.7
159.11740	2.5
163.11212	21.0
165.12746	4.6
171.10204	8.3
173.09631	3.0
173.11774	4.2
175.11198	12.8
181.12213	16.3
183.11736	4.3
185.11858	1.8
187.11148	1.9
189.11247	13.2
191.10696	9.4
193.12277	33.4
199.13354	4.0
200.14053	1.8
201.12888	3.8
201.14857	3.2
209.11819	8.2
211.13264	8.2
219.13847	4.7
227.12801	38.2
229.12459	2.1
229.14386	11.8
247.13338	24.9
249.14909	5.1
255.15929	2.3
259.13046	2.8
267.15933	83.0
268.16418	3.1
283.15427	17.8
285.17160	1.7
301.16504	39.0
321.17014	8.2
339.17953	3.6
355.22617	2.0
383.22189	3.8
401.22870	2.2
457.26233	2.7
458.26346	2.5
459.27332	3.5
475.26761	11.8
476.27750	4.0
493.28058	40.1
525.30701	2.2
680.47473	2.2
754.80096	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	740.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.0
55.01869	10.1
55.05512	45.5
57.03440	28.5
57.07057	1.8
59.04999	30.5
60.55507	1.6
61.02913	3.2
65.03933	4.4
67.05507	100.0
68.83215	1.6
69.03425	7.1
69.07072	13.1
70.57001	3.7
70.57372	2.9
71.01368	2.5
71.05000	14.8
73.02901	2.3
79.05496	53.1
81.03420	84.8
81.07059	53.0
83.04985	28.0
83.08622	34.4
85.02909	28.1
85.06548	5.0
87.03939	2.1
87.04475	37.3
91.03967	2.6
91.05487	49.1
93.07040	32.5
95.04969	31.2
95.08612	19.5
97.02876	10.1
97.06562	8.0
97.10169	19.7
99.04461	19.3
99.08115	1.7
105.07032	30.1
107.04971	16.8
107.08598	19.2
109.02898	1.8
109.06505	7.5
109.10162	64.5
111.04438	10.7
111.08099	15.9
113.06001	2.6
115.05423	2.7
117.07027	7.8
119.08585	28.0
121.06522	5.6
121.10154	13.4
123.04426	2.0
123.08085	5.6
123.11735	2.8
124.01325	1.6
125.09627	14.3
129.07001	16.0
131.08577	19.0
133.06509	4.3
133.10135	14.7
135.08047	3.0
135.11728	6.1
137.09624	3.4
142.07788	3.5
145.10143	7.0
147.04485	2.2
147.08040	2.6
147.11667	19.6
149.09654	9.4
153.12769	12.1
155.10683	6.9
157.10156	16.5
159.11714	2.2
163.11174	14.1
165.12738	3.6
173.09624	3.1
173.11751	16.8
175.11179	18.7
181.12224	5.9
189.11324	2.9
191.10677	7.3
193.10445	2.3
193.12242	60.6
199.13347	10.8
209.11742	6.5
211.13292	69.4
212.13789	2.5
217.14331	2.4
223.13237	3.4
227.12758	16.7
229.12094	3.8
229.14349	69.3
241.14418	5.8
245.13622	2.2
247.13216	3.9
249.14888	3.2
265.14444	2.1
267.15900	42.5
267.18607	2.9
268.16357	1.8
283.15451	11.4
285.16977	45.1
313.16434	3.6
315.18027	8.6
370.58823	1.8
383.21957	3.0
401.23392	2.2
402.90762	1.6
409.25949	4.6
421.25867	19.8
427.27005	8.4
439.26941	84.8
440.27066	2.7
457.25443	4.0
461.28830	3.8
467.26578	1.7
475.27109	10.5
493.27985	6.0
525.30554	7.2
543.31909	3.8
560.36139	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	738.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
53.10918	1.2
55.05509	11.1
57.03428	1.2
57.07063	2.9
64.31502	1.0
65.03940	2.9
66.08192	1.1
67.05509	44.2
69.07073	9.3
71.04310	2.5
79.05070	1.9
79.05495	22.2
81.07063	37.7
83.04998	1.3
83.08630	6.2
86.06030	1.1
86.61858	1.2
91.05490	14.4
93.07049	26.3
95.04963	2.3
95.08614	28.4
97.06494	1.7
97.10150	3.2
98.06058	4.3
105.07037	7.9
107.08585	11.5
109.10157	11.7
119.08567	4.8
121.10136	8.3
123.11700	4.3
127.05532	1.1
131.08568	3.0
133.10117	3.6
134.98178	1.3
135.11682	3.8
145.10164	1.3
147.11682	3.0
149.13245	3.7
159.11743	1.3
161.13205	1.8
163.14816	1.7
184.07376	1.3
261.22171	1.5
304.26331	17.6
306.27921	20.4
317.24887	1.5
335.25778	6.7
337.27521	7.4
458.00778	1.2
513.12183	1.2
539.57971	1.4
545.99506	1.3
597.48804	100.0
598.48932	5.2
626.44641	8.3
627.46112	6.5
736.90894	1.4
738.43719	4.4
739.44806	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	739.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	14.0
55.01868	8.8
55.05520	30.8
55.92258	3.9
57.03440	18.5
61.02932	8.6
65.03957	5.5
67.05193	4.6
67.05517	75.1
69.03437	19.3
69.07060	27.8
71.04985	12.7
79.05504	66.8
80.05794	4.7
81.03425	89.2
81.07068	100.0
83.04984	26.8
83.08640	25.1
85.02927	28.1
85.06545	5.4
91.05488	83.2
92.32267	4.6
93.07069	56.1
95.04971	39.4
95.08623	39.9
97.02888	15.4
97.06534	17.7
97.10188	7.7
98.20850	21.1
98.21543	10.7
99.04473	5.2
105.07041	69.3
106.07484	3.5
107.04957	19.4
107.08608	34.3
109.02904	10.8
109.06523	18.7
109.10183	29.3
111.04478	8.5
111.08060	12.5
113.06035	5.1
117.07054	20.5
119.08588	51.8
121.10155	27.1
123.08045	10.8
123.11726	6.4
125.09626	8.4
127.03886	9.4
128.06229	6.3
129.07008	15.9
131.08600	21.6
133.06499	6.0
133.10138	40.1
135.08046	6.2
135.11670	12.2
137.09601	8.9
141.07083	4.4
143.08591	8.7
145.10146	30.3
147.08076	6.7
147.11732	27.2
149.09639	13.0
149.13269	8.1
151.11151	11.1
155.08604	5.0
157.10139	16.0
159.11665	16.5
161.09676	5.3
161.13229	5.0
163.11142	6.3
165.12773	6.9
169.10226	5.1
171.11697	6.6
173.04391	3.7
173.09641	4.2
173.13211	7.9
174.52081	3.6
175.11238	14.1
177.12859	5.5
181.10098	5.3
184.07382	7.6
189.19395	3.9
189.20976	3.9
193.12270	34.6
195.13779	5.9
197.13260	5.8
207.51176	3.8
211.13297	48.9
221.61131	3.8
225.82835	3.6
227.12782	6.3
229.14236	4.6
229.58516	3.7
229.97040	3.9
239.18077	4.3
248.58826	4.5
253.14331	12.8
256.56931	4.4
257.18924	8.9
267.15955	42.8
269.17444	8.5
273.18439	7.6
275.17227	6.3
275.20056	51.8
283.15649	4.7
285.17020	37.9
293.21103	4.5
349.23865	35.9
461.29163	11.0
479.29977	15.1
541.35675	24.3
559.36401	28.5
577.37219	18.1
623.33716	8.7
739.37579	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	739.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	9.6
55.01882	25.1
55.05516	41.6
57.03438	19.6
61.02932	16.1
65.03938	6.0
67.05506	87.8
69.03432	26.2
69.07075	35.5
70.76555	9.6
71.01354	3.5
71.04984	11.7
73.02925	7.9
73.29509	3.1
74.23264	2.9
77.03938	4.0
79.05499	84.7
81.03423	83.3
81.07063	100.0
83.05000	24.7
83.08622	34.0
85.02502	3.2
85.02915	33.3
85.06559	4.3
87.04453	3.3
91.05483	87.5
93.07049	55.8
95.04974	33.2
95.08615	43.7
97.02895	23.1
97.06529	36.1
97.10195	19.2
98.03748	3.1
99.04474	6.8
99.08096	5.7
105.07041	77.5
107.04958	28.8
107.08604	42.5
109.02880	3.7
109.06537	15.8
109.10178	21.4
109.91502	3.1
111.04436	7.5
111.08070	10.4
113.06052	4.2
117.07043	23.1
119.08588	59.8
121.06504	9.4
121.10155	25.2
123.08057	7.0
123.11720	9.1
125.09634	14.4
127.03911	11.0
129.05511	4.9
129.06996	20.1
131.04933	4.3
131.08594	30.1
133.06523	7.5
133.10150	33.2
135.08052	12.9
135.11699	12.3
137.09625	8.6
139.11234	4.9
141.06984	5.4
143.08569	9.3
145.06497	4.5
145.10149	28.7
147.08060	7.1
147.11688	36.5
149.09645	27.5
149.13258	8.5
151.11220	4.3
155.08548	8.7
157.10126	25.8
159.11697	17.7
161.13235	5.4
163.11183	13.7
165.12718	10.2
169.10098	6.5
171.11594	6.6
173.04436	4.1
173.13219	7.1
175.11223	20.9
177.12776	3.6
179.14288	4.0
183.11726	6.1
185.13243	4.5
189.11159	8.6
193.12257	41.6
197.13290	3.6
211.13297	69.5
214.15692	4.2
227.12753	35.6
229.14369	7.5
229.19632	3.7
233.15439	4.0
239.17624	3.7
253.14658	3.6
257.18979	11.1
267.15988	32.2
269.17426	5.4
275.17276	6.5
275.20090	73.5
276.20477	4.3
285.17010	51.2
291.19589	4.0
293.21243	5.0
315.78522	3.5
349.23746	43.6
367.24744	4.2
431.28946	3.5
437.25430	5.6
451.04260	3.6
459.78400	4.1
463.30673	5.2
479.30066	8.2
541.35175	24.5
559.36365	37.6
577.37665	23.2
577.45612	4.2
623.34283	4.5
721.41229	7.1
739.39301	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	738.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.0
53.16913	0.8
54.37107	0.9
55.01885	5.0
55.05274	1.3
55.05516	18.4
55.17645	0.8
55.17918	0.9
55.57457	0.9
57.03443	11.2
61.02924	1.8
65.03938	2.0
65.76738	0.9
66.77332	1.0
67.05508	24.8
69.03413	3.9
69.07077	6.2
70.06567	1.1
71.04992	4.8
71.51305	1.2
77.03886	1.1
79.05497	27.2
81.03422	61.2
81.07062	26.1
81.07529	2.3
83.04980	7.6
83.08620	19.4
85.02908	3.7
85.06573	1.2
91.03979	1.1
91.05482	21.1
93.07054	21.6
95.04971	24.7
95.08607	11.0
97.02882	3.1
97.06517	3.6
97.10178	17.5
105.07030	17.3
107.04961	15.5
107.08609	13.1
109.02845	2.3
109.06528	10.0
109.10150	9.3
111.04448	3.4
111.08101	6.1
115.05460	1.1
117.06998	7.1
119.04980	1.3
119.08598	14.8
121.06516	10.8
121.10157	12.9
123.04424	2.1
123.08057	6.0
123.11686	1.1
124.90195	1.0
125.05978	2.3
125.09637	13.8
127.03876	1.2
129.07045	7.3
131.04916	1.5
131.08585	10.8
133.06517	4.8
133.10118	7.7
135.08086	7.6
135.11716	3.4
137.05978	1.7
137.09630	2.4
139.11157	1.5
141.06998	1.2
142.07759	1.6
143.08533	4.0
145.06494	6.3
145.10149	6.7
147.04417	1.0
147.08057	7.4
147.11662	5.4
148.07262	1.1
149.09598	6.3
151.11240	2.1
153.09096	3.0
153.12775	2.2
155.08545	2.4
157.06519	1.3
157.10153	9.2
159.08089	1.9
159.11748	1.6
161.09595	1.8
163.11168	7.6
165.12737	1.6
167.08542	1.5
167.10661	1.5
169.10103	1.8
171.08127	2.3
171.10384	1.1
171.11751	1.9
173.09662	1.5
173.11737	1.5
173.13167	1.2
175.07588	1.1
175.11194	7.3
177.12787	1.7
178.11113	1.1
181.12251	2.2
184.07306	2.5
185.09613	1.1
185.13281	1.7
187.11200	1.8
189.09145	1.8
189.11235	3.7
189.12744	1.3
191.10686	2.1
191.14314	2.2
193.12251	18.6
197.13228	1.9
199.11226	1.7
205.12219	1.6
209.11659	5.1
209.13397	1.2
211.13271	3.3
213.12833	1.0
219.13835	2.8
223.13295	1.5
227.12659	6.6
227.14618	1.0
229.14255	1.6
231.13782	1.3
233.15424	3.3
241.14380	2.4
255.13821	1.7
259.13275	1.8
267.15927	50.5
268.16232	1.0
273.14694	5.2
281.14053	1.6
283.15411	9.7
285.17017	2.2
287.16452	1.1
293.17838	1.2
299.14752	1.9
301.16446	3.4
309.16754	1.1
317.16037	1.1
334.15793	1.0
339.23166	2.1
349.21671	3.5
367.22681	15.5
385.23792	20.3
403.24902	7.1
437.25101	2.8
441.26413	9.6
449.25250	1.1
459.27417	100.0
460.27750	3.9
477.28522	77.1
478.28748	3.3
491.29767	7.1
501.28445	2.0
509.26398	6.4
562.92688	1.1
567.29401	1.1
641.32874	1.2
666.65985	1.3
670.18921	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01876	12.8
55.05516	38.3
56.65718	1.0
57.03444	22.2
57.07085	1.4
59.05007	37.4
61.02918	4.8
65.03930	2.8
67.05509	71.4
69.03434	5.7
69.07072	10.7
69.21116	11.0
71.01348	2.2
71.05003	11.7
72.63298	1.0
73.02914	2.8
79.05500	32.0
79.45670	1.0
80.05830	2.6
81.03422	24.9
81.07061	37.0
82.03754	1.4
82.07365	1.4
83.01357	7.8
83.04988	12.0
83.08627	21.9
85.02910	11.0
85.06541	3.8
86.09706	1.3
87.04475	53.5
91.05486	25.8
92.05825	1.8
93.06484	2.1
93.07050	30.9
93.07631	1.7
95.04977	11.4
95.08624	15.0
97.02900	7.8
97.06547	7.5
97.10180	10.7
98.20640	1.1
98.21121	5.5
99.04459	17.0
99.08099	1.6
105.07038	14.4
107.04968	11.0
107.08595	18.8
109.02883	2.2
109.06516	6.5
109.10167	53.2
111.04443	5.9
111.08091	4.5
113.05973	1.3
115.05409	1.4
117.07028	10.8
117.13065	1.2
119.08586	15.3
120.08925	1.2
121.06513	4.8
121.10140	10.1
123.04417	1.9
123.08093	7.5
125.06000	2.5
125.09649	12.4
127.03889	1.7
128.06145	1.2
129.05530	1.7
129.07004	3.9
131.08542	6.2
133.10123	6.2
135.08037	3.4
135.11710	13.8
136.28044	1.2
137.09615	3.2
142.07719	1.3
143.08504	1.6
143.10602	1.1
145.06523	1.4
145.10127	17.9
147.08012	3.7
147.11699	2.3
149.09608	2.8
151.11130	2.3
153.12744	3.5
155.08591	2.2
155.10660	7.8
157.10100	2.5
159.08012	1.3
163.11186	26.5
171.11800	1.2
173.09636	3.5
173.11742	19.8
175.11211	3.1
181.12242	4.2
184.07339	1.8
191.10713	6.1
193.12282	2.9
199.13295	9.1
209.11731	12.7
211.13286	2.7
223.13347	2.7
227.12790	11.4
229.14366	58.0
241.14378	3.6
253.14287	1.4
257.13733	2.1
265.14487	1.3
267.15964	10.4
273.18491	1.3
283.15414	85.2
284.15759	2.3
285.16980	1.8
291.19556	1.4
292.19315	1.3
311.14841	4.9
315.18030	6.2
385.23795	1.8
407.24225	2.6
425.25491	12.2
437.25406	100.0
438.25769	3.9
459.27414	6.9
477.28384	4.6
491.26593	2.4
509.31027	1.3
541.29730	2.8
558.34998	2.9
576.35767	3.6
607.55170	1.3
734.69061	1.4
738.40515	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	738.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04792	0.2
56.05037	0.7
56.69444	0.1
58.06351	0.1
58.06622	0.4
60.08166	5.6
69.31539	0.3
69.31946	1.0
71.07378	3.3
71.08663	0.1
81.03429	0.2
86.09709	28.7
86.86703	0.2
87.10059	0.3
91.05540	0.2
93.09460	0.2
98.98471	3.5
104.10744	2.1
125.00011	19.3
140.46913	0.2
168.64616	0.2
184.07347	100.0
185.07738	0.9
496.34055	0.2
688.45496	7.2
689.45288	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	3.1
53.03934	4.5
54.85096	1.0
55.01880	7.2
55.05513	20.1
57.03184	1.6
57.03438	16.3
58.96749	1.1
59.04994	1.9
61.02914	1.9
65.03918	1.6
67.05183	1.4
67.05510	24.1
69.03419	4.2
69.07066	6.6
70.82042	2.7
71.01336	1.1
71.04977	4.4
71.77213	1.1
73.02910	2.1
74.81065	1.2
78.72240	1.1
79.05067	1.7
79.05496	23.3
81.03420	77.1
81.07059	24.4
83.04987	9.3
83.08158	1.7
83.08621	25.0
85.02892	3.9
85.06535	2.6
87.04443	1.4
91.05480	30.5
93.07047	22.1
95.04974	24.8
95.08600	10.3
97.02890	8.4
97.06527	5.0
97.10173	6.9
99.00805	11.2
99.04449	1.2
103.05466	1.1
104.10547	1.1
105.07030	24.1
107.04288	1.6
107.04961	14.5
107.08591	11.0
109.02891	11.8
109.06528	8.4
109.10145	5.5
111.04442	4.3
111.08094	11.3
113.05984	2.3
115.03940	1.6
115.05428	1.6
117.06998	6.9
118.97110	1.3
119.07799	1.9
119.08585	18.4
121.02857	1.0
121.06531	9.5
121.10146	9.2
123.04455	2.8
123.08081	3.4
125.09616	5.7
127.03922	2.7
128.06165	1.6
129.07010	9.3
131.08588	11.4
133.06485	3.6
133.10143	33.0
135.08041	4.1
135.11685	3.9
137.05969	1.9
137.09616	3.3
139.07568	2.6
141.05357	1.1
142.07808	2.7
143.08568	6.8
145.06445	3.0
145.10130	4.2
147.08038	5.2
147.11702	7.4
149.09618	6.2
151.11180	9.7
153.06981	1.5
153.09120	1.1
157.10127	10.2
161.06087	1.5
161.09642	15.9
163.11206	5.3
165.09169	1.2
165.12718	2.1
171.08047	3.6
173.09665	1.4
175.11198	9.2
179.10666	8.2
184.07364	2.5
189.09105	8.1
189.11211	4.0
193.10481	1.3
193.12257	23.0
197.11665	2.6
207.10222	3.5
209.11778	2.3
211.13269	7.3
219.13820	4.5
225.11237	10.2
227.12848	5.2
229.14270	1.8
231.71036	1.1
249.14944	1.5
267.15927	100.0
268.16187	2.8
281.13824	5.8
283.15402	5.0
285.16919	7.2
299.14896	66.3
300.15173	1.8
330.20541	1.9
367.22327	2.7
381.20251	1.6
385.23502	2.5
389.22949	1.7
399.21652	2.7
417.22922	1.1
433.25748	1.2
445.25906	11.1
455.24127	1.4
459.27460	14.8
463.26694	4.7
473.25372	23.2
477.28400	10.5
491.26404	82.6
492.26758	2.7
509.27463	8.1
523.28534	1.5
533.27838	1.4
576.35352	1.7
587.29297	1.4
738.41040	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01876	7.4
55.05513	34.4
57.03191	1.9
57.03438	19.0
57.07067	2.4
59.04716	1.6
59.05001	27.3
61.02909	3.9
65.03935	2.8
67.05506	86.2
68.05839	1.6
68.80347	1.1
69.03436	6.0
69.07068	11.7
71.01344	1.9
71.04993	11.9
71.52165	1.8
73.02900	2.3
73.06570	1.4
79.05495	40.7
81.03420	23.9
81.07058	37.5
82.07384	1.1
83.01340	3.3
83.04986	10.8
83.08161	1.3
83.08621	19.1
85.02910	12.3
85.06524	2.8
87.04472	32.8
91.03901	1.4
91.05481	23.2
93.07047	42.4
95.04970	12.5
95.08610	33.1
96.23534	1.2
97.02895	9.6
97.06522	6.7
97.10175	11.9
99.04449	12.9
99.08061	1.3
103.05456	1.9
105.07047	13.6
106.07360	1.5
107.04948	14.1
107.08596	30.8
109.06522	6.8
109.10164	61.8
111.04439	4.4
111.08064	6.1
115.05402	1.2
117.07003	10.3
119.08592	19.1
120.08905	1.3
121.06515	7.1
121.10151	13.6
123.04414	1.6
123.08051	6.4
125.05991	2.6
125.09655	9.1
127.03857	1.6
129.05473	1.5
129.07022	5.8
130.07756	1.6
131.08606	6.7
133.06502	1.2
133.10104	6.3
135.08035	4.0
135.11697	30.6
137.09615	4.7
139.07503	1.5
143.08588	1.5
145.06465	1.7
145.10130	25.1
147.08025	2.2
147.11694	3.6
149.09613	3.6
153.12767	2.9
155.08618	1.3
155.10645	6.7
157.10036	1.8
163.11192	51.7
173.04396	2.4
173.09641	2.9
173.11740	18.6
175.11148	2.2
180.45309	1.3
181.12222	7.8
184.07309	2.6
189.11362	1.3
191.10652	3.2
193.12213	4.2
199.13280	8.9
209.11720	10.5
211.13260	3.5
223.13225	1.9
227.12790	59.4
228.13152	1.5
229.14355	76.4
230.14684	2.3
241.14304	3.0
257.13916	1.6
265.14426	1.6
267.15854	10.3
276.20337	1.4
278.29761	1.1
283.15405	74.7
285.16904	3.0
301.16782	1.2
311.14911	4.6
315.18048	8.4
367.22290	1.3
407.24454	3.0
425.25412	6.9
437.25378	100.0
438.25772	5.4
459.27277	3.5
473.25150	1.9
477.28519	4.5
491.25882	1.5
509.27332	2.6
523.28955	2.6
529.57990	1.2
599.20154	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.4
55.01870	11.8
55.05512	51.1
57.03440	17.6
57.07079	3.3
58.89848	2.4
61.02933	26.5
65.03940	4.7
67.05507	90.0
68.05837	2.5
69.03433	24.4
69.07067	27.6
69.38411	18.7
71.04995	20.2
73.02908	11.1
79.05495	69.9
81.03429	42.1
81.07061	82.2
83.04990	15.8
83.08627	23.6
85.02906	25.6
85.06538	7.9
91.03959	17.3
91.05487	72.6
93.07047	65.2
95.04976	24.0
95.08612	54.3
97.02888	27.0
97.06546	10.2
97.10168	22.8
99.04462	4.2
99.08088	6.1
103.04002	2.9
105.07038	56.2
107.04954	10.4
107.08599	47.1
108.05309	2.7
109.02895	10.9
109.06512	10.5
109.10156	36.0
110.10426	3.3
111.04455	5.5
111.08092	8.7
115.05447	6.0
117.07027	29.2
119.08591	45.7
121.06509	11.6
121.10159	24.5
123.08073	10.9
123.11720	9.0
125.09623	15.7
127.03901	7.1
128.06230	8.2
129.05539	3.5
129.07016	25.0
131.08568	47.8
133.06485	10.2
133.10130	36.0
135.08041	11.4
135.11679	12.1
137.09660	5.2
141.07018	10.0
142.07768	3.0
143.08556	30.6
145.06543	4.2
145.10136	35.9
146.58659	2.3
147.08055	10.0
147.11699	17.7
149.09610	12.5
151.11200	5.6
153.06950	2.7
153.12758	4.2
155.08571	24.2
156.09309	2.7
157.10127	27.7
159.08075	7.7
159.11700	26.6
161.09657	10.1
161.13348	3.9
163.11174	8.7
167.08545	7.5
169.10114	19.7
169.28372	2.5
171.08058	5.9
171.10345	4.7
171.11685	21.5
173.04495	4.4
173.09596	7.4
173.13167	17.3
175.11230	12.8
175.14783	4.0
177.12750	2.9
179.08542	3.3
181.10144	11.2
183.11722	12.9
185.09584	5.8
185.13258	14.1
187.11195	6.9
187.13261	3.4
187.14822	6.1
189.11269	6.1
189.12785	3.6
191.08569	3.0
193.12251	10.4
195.11710	13.7
197.13229	11.9
199.11139	4.8
199.14874	6.9
205.10062	2.8
207.11795	3.2
209.13286	9.9
211.13097	5.5
211.14940	5.4
221.13298	5.9
223.14833	4.2
227.12743	15.0
229.14302	3.5
241.19742	3.8
245.18904	2.7
267.16034	5.7
273.18460	10.5
275.20041	8.0
283.20551	6.5
285.17007	4.1
291.19604	13.0
299.23721	9.7
321.22012	4.6
337.21658	3.4
347.22092	6.1
349.23914	4.0
365.23422	6.5
372.91324	2.6
409.26617	3.3
415.29843	6.3
421.25555	3.3
423.27374	5.5
429.21219	4.1
433.31042	20.9
443.27850	6.6
451.31982	11.9
465.33948	3.7
469.33026	5.8
499.34387	4.4
507.34549	12.2
515.37244	3.8
517.35071	23.7
525.28625	4.5
525.35828	74.4
526.36658	3.4
543.36841	100.0
544.37146	4.9
557.37726	17.9
575.39825	31.3
679.40582	6.5
687.40881	4.8
719.40222	8.0
737.42688	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	737.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	17.2
55.01868	20.5
55.05514	44.2
57.03444	22.2
57.07066	6.5
61.02914	5.8
65.03928	6.7
67.05505	100.0
69.03432	38.9
69.07070	29.8
69.22989	8.5
69.23405	19.2
71.05000	15.9
73.02905	9.2
79.05070	5.0
79.05499	72.6
81.03425	84.2
81.06591	4.5
81.07060	87.7
83.04985	22.9
83.08619	23.2
85.02892	23.0
85.06551	7.8
91.05486	70.1
93.07054	57.9
95.01346	3.7
95.04965	34.7
95.08610	47.0
97.02898	32.1
97.06548	17.8
97.10177	13.2
98.20924	11.0
98.21571	6.3
99.04453	11.5
105.07035	62.6
107.04961	22.2
107.08600	36.3
109.02901	20.2
109.06496	13.5
109.10162	38.1
111.04443	10.6
111.08078	9.5
115.05457	6.7
117.07023	23.4
119.08592	46.9
121.02820	2.9
121.06547	7.8
121.10171	22.2
123.04420	5.9
123.08046	14.3
123.11724	9.0
125.09647	11.2
127.03928	17.9
128.06270	6.0
129.05504	8.9
129.07004	15.9
130.91055	2.9
131.08585	33.5
133.06461	8.5
133.10152	34.0
135.04420	5.0
135.08069	9.5
135.11708	8.1
137.09627	13.3
139.11249	3.3
141.06975	4.8
143.08574	12.6
145.06497	6.4
145.10133	28.3
147.08052	9.5
147.11726	22.3
149.09630	16.5
149.13213	7.2
151.11142	5.7
153.09160	3.1
155.08525	6.1
157.10117	17.2
159.11691	13.8
161.09676	9.7
163.11200	12.2
165.09192	2.9
165.12743	6.8
167.08556	5.3
169.10156	7.7
171.10210	3.3
171.11681	11.2
173.04485	13.0
173.09610	5.0
173.11874	5.4
173.13275	6.6
175.11220	16.0
177.12648	4.5
179.10825	3.5
183.11736	6.0
185.09680	4.6
185.13274	3.2
189.11214	5.3
191.10663	6.5
193.10515	4.6
193.12251	17.5
197.13246	4.4
199.05960	5.0
201.14792	2.9
205.12288	3.4
209.11699	3.0
211.13240	20.9
211.14957	2.7
213.12599	3.1
227.12759	12.1
229.14311	18.4
229.19568	5.9
243.15845	4.5
245.19124	5.0
257.19061	4.3
267.16022	13.4
273.18506	17.2
275.20074	30.2
285.16989	10.1
291.19485	19.2
301.16660	4.0
331.02972	3.0
347.22205	6.9
349.23813	10.8
365.23273	6.4
421.25702	4.2
439.26648	4.8
458.27866	2.9
503.33420	8.4
519.42010	2.8
525.35687	4.7
543.36316	9.5
557.34686	13.1
575.35724	17.9
701.38458	4.6
719.39130	6.3
737.40851	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	737.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73710	0.6
55.05521	1.9
67.05508	3.4
69.07075	1.5
70.06574	0.8
70.74454	0.6
71.52508	0.9
74.09765	0.5
79.05490	2.5
81.07051	2.8
83.08615	0.8
91.05492	1.8
93.07046	2.1
95.08624	1.8
98.06068	1.0
105.07048	1.5
107.08588	1.1
109.10172	1.4
114.07432	0.6
117.07012	0.8
119.08578	0.7
121.10173	0.6
131.08551	0.6
133.10115	0.9
143.39467	0.7
145.10146	1.1
146.53932	0.6
175.92157	0.5
198.37497	0.5
225.13945	0.7
302.25079	0.6
304.26358	4.0
305.26788	2.5
306.27942	1.3
307.40802	0.6
335.25815	1.1
337.27478	0.8
429.16354	0.8
429.21426	1.2
430.21744	0.8
433.15079	0.9
433.24133	0.8
435.15985	0.6
443.18750	2.1
444.19092	1.1
445.20291	1.8
457.20142	1.3
458.20911	2.4
459.21771	18.4
460.22549	2.2
461.14148	2.1
462.14841	0.8
463.19965	1.4
473.23727	0.9
475.16135	1.4
476.17001	2.1
477.17517	2.2
489.17892	0.9
490.18280	0.8
491.18970	13.3
492.19727	3.1
504.16312	0.7
505.21042	1.0
518.23383	3.0
519.18298	1.8
524.22021	0.7
531.24359	1.0
537.22498	0.7
545.25604	2.4
547.27148	2.8
551.21136	49.7
552.21405	2.6
552.99237	0.7
563.20776	2.9
577.22681	1.2
578.23682	1.9
579.24402	3.9
606.28448	3.4
623.23175	6.0
625.44238	5.5
638.25525	5.4
639.26996	2.8
677.31549	2.1
705.29059	0.6
737.33649	100.0
738.33679	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	736.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.05035	0.8
57.03433	0.4
57.07082	0.9
58.06605	0.4
58.67086	0.2
60.08168	6.3
60.92488	0.2
63.81485	0.2
67.05503	1.4
69.03418	0.2
69.07046	0.8
70.06611	0.3
71.04973	0.3
71.07376	4.0
71.08620	0.8
71.51691	0.2
73.00961	0.2
74.09711	0.3
79.05495	0.9
81.03408	0.3
81.07053	1.4
83.08627	0.3
85.10210	0.2
86.09711	33.1
87.10069	0.2
91.05483	0.7
93.07048	1.1
95.08614	0.7
96.93403	0.2
97.02937	0.2
97.06527	0.2
97.10172	0.3
98.98466	3.9
104.10735	2.6
105.07029	0.6
107.08599	0.4
109.10172	0.5
111.04443	0.3
111.86899	0.2
119.08600	0.6
121.06415	0.2
121.10156	0.5
123.08079	0.2
125.00012	22.2
131.08598	0.5
133.10127	0.3
135.11732	0.3
145.10178	0.3
163.11166	0.5
174.30669	0.2
184.07350	100.0
185.07732	0.7
191.10760	0.3
209.11815	0.6
227.12848	0.5
228.33250	0.2
229.14365	0.2
283.15524	0.8
301.16510	1.1
311.26163	0.2
313.27460	2.2
387.84961	0.2
400.22180	0.3
457.24655	0.2
521.38544	0.4
539.39178	1.5
595.47321	0.3
704.44568	0.4
736.47595	7.2
737.48492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27539	0.8
53.03938	1.3
53.15838	0.9
55.01868	1.2
55.05516	11.8
57.03455	4.7
57.07080	35.9
58.06593	0.9
59.04995	0.9
61.02911	3.0
61.64007	0.8
67.05511	53.4
69.03425	2.4
69.07067	10.9
71.05000	18.8
71.08638	27.4
71.51755	1.5
73.02910	1.2
74.09723	3.1
79.05499	12.3
81.03420	1.3
81.07063	88.3
82.07405	1.0
83.04993	3.5
83.08622	16.6
84.81781	0.9
85.02896	2.5
85.06547	8.8
85.10193	15.2
85.58055	1.0
87.04465	1.3
91.05488	17.6
93.07056	12.7
94.24636	1.0
95.04961	1.9
95.08611	29.7
96.30524	0.9
97.02883	1.0
97.06546	3.3
97.10175	7.0
99.08110	1.0
99.11787	0.8
105.07047	8.7
107.08617	9.9
109.06541	2.6
109.10162	16.2
111.08096	1.7
111.11754	1.2
117.07033	3.0
119.08579	1.4
121.10137	4.4
122.83356	0.9
123.11726	17.0
131.08603	4.4
133.10141	16.5
135.11697	3.9
137.13248	1.3
147.11681	1.2
149.13286	3.7
151.11203	6.2
159.11740	3.2
159.17883	1.1
169.12283	1.6
177.12804	2.4
183.13847	2.8
184.07376	4.1
187.13283	3.3
195.13861	1.5
237.59134	0.9
239.23689	2.9
257.17462	2.4
269.17462	5.2
301.20139	19.5
313.27408	23.3
481.38922	89.6
482.39236	2.8
495.40298	5.1
507.40372	6.5
539.43091	100.0
540.43188	3.5
671.75647	1.0
720.88922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.7
55.01881	13.8
55.05512	28.9
57.03438	15.3
57.07091	5.2
61.02916	5.4
65.03934	7.6
67.05180	6.0
67.05513	89.4
67.41534	2.5
69.03436	21.2
69.07066	25.8
71.01352	3.2
71.04993	10.2
71.51865	2.9
72.38232	2.6
73.02930	5.9
73.06594	2.8
79.05500	93.7
81.03428	39.8
81.07059	100.0
83.04999	22.8
83.08627	12.3
85.02909	14.4
85.06555	6.5
87.76338	2.7
91.05485	97.0
93.07050	87.0
95.04998	31.1
95.08604	52.9
97.02902	15.5
97.06541	13.1
97.10178	5.8
99.04466	7.5
99.08086	5.0
103.05455	3.1
105.03412	6.7
105.04558	7.8
105.07043	73.5
107.04956	16.8
107.08599	44.0
109.02887	8.8
109.06535	14.3
109.10186	21.5
111.08076	6.3
115.05502	3.8
117.07026	30.2
119.08595	55.4
121.06501	9.9
121.10175	16.4
123.08080	12.8
123.11732	7.0
125.09594	3.4
126.16096	2.8
127.03921	9.2
128.06259	6.5
129.07014	23.2
131.04977	3.6
131.08588	25.5
131.75858	2.8
133.06493	6.7
133.10147	38.1
135.08067	7.2
135.11713	12.1
137.09663	5.4
141.07001	4.5
143.08585	20.0
145.06512	5.3
145.10094	21.7
147.08072	8.5
147.11690	42.0
149.09642	8.8
149.13292	6.7
151.11163	8.3
153.12772	3.4
155.08533	4.8
157.10181	8.6
159.11763	15.0
161.09622	7.0
161.13239	13.7
163.11211	9.3
169.10083	5.7
171.11699	25.8
173.04480	12.9
173.09665	3.9
173.13307	6.6
175.11143	4.1
177.12700	3.9
180.27840	3.0
181.10179	4.2
184.07405	3.1
185.13290	4.2
187.11391	2.7
187.14824	4.6
189.11073	3.4
189.12769	7.1
197.13307	3.5
207.13853	19.0
208.57033	3.4
228.23175	3.1
239.17926	4.0
247.20587	3.4
253.14355	10.4
257.19095	7.8
263.20160	4.2
269.17621	6.1
273.18524	7.8
275.20096	40.7
281.17484	52.3
287.16656	4.0
291.19571	9.6
331.22531	4.2
349.23788	23.0
367.24921	3.0
413.22272	3.6
475.30637	46.1
537.36261	3.2
555.37048	35.9
556.37244	4.3
573.37665	11.4
619.34509	14.9
735.41742	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	17.8
55.01871	15.5
55.05516	42.3
57.03440	12.5
61.02916	7.2
64.86576	2.8
65.03943	7.4
66.62926	2.6
67.05507	91.4
69.03431	15.4
69.07063	24.3
69.21299	25.9
71.04977	8.3
73.02919	4.5
79.05496	100.0
81.03419	31.7
81.07063	91.5
83.04984	24.0
83.08635	11.5
85.02908	13.0
85.06553	6.9
87.62469	2.8
91.05492	95.0
93.06479	5.6
93.07048	82.1
95.04968	24.4
95.08608	42.0
97.02908	8.7
97.06546	22.5
97.10184	10.9
99.04483	3.1
103.05470	4.6
105.04537	5.5
105.07036	70.8
107.04960	16.5
107.08597	38.2
109.02884	7.3
109.06539	16.0
109.10176	24.1
111.04457	3.9
111.08101	4.8
111.25213	2.9
113.52905	2.6
115.05502	6.2
117.07020	27.7
119.08595	55.2
121.06523	8.2
121.10130	19.4
123.08083	12.5
123.11755	6.2
125.09615	7.0
127.03963	6.7
128.06290	4.5
129.07016	21.9
131.08586	27.5
133.06487	4.9
133.10153	34.3
135.08090	5.4
135.11678	6.5
137.09610	4.7
141.07004	3.6
143.08614	17.0
145.06509	3.7
145.10143	26.9
147.08073	7.1
147.11697	44.5
149.09636	13.8
149.13264	5.7
155.08557	4.9
157.10135	8.8
159.11678	16.1
161.09630	7.8
161.13260	14.7
163.11220	8.3
165.12843	4.3
169.10144	4.6
171.11670	28.9
173.04451	9.2
173.13255	6.8
175.11133	5.2
183.11731	6.1
187.11256	6.2
189.12737	10.4
191.14348	3.9
197.13338	4.9
207.13826	26.5
227.12837	13.3
229.19571	3.5
247.20590	4.1
253.14330	3.5
257.19006	9.7
267.15991	4.3
269.17487	3.6
273.18521	5.2
275.20071	62.7
279.15970	3.5
281.17453	57.9
291.19617	5.2
293.21216	3.7
299.20065	3.7
331.22595	4.6
349.23798	30.5
355.22684	3.2
367.25006	3.9
377.23087	3.2
459.31482	4.2
475.30829	25.6
527.37268	4.6
537.35516	6.6
555.36920	47.1
573.37982	10.9
619.34528	8.7
735.42059	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	732.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.3
56.05036	0.8
57.03418	0.2
57.07064	0.2
58.06636	0.6
60.08167	5.6
67.05502	0.7
69.07093	0.4
69.15720	0.1
71.07380	3.6
71.50831	0.2
71.51206	0.2
79.05493	0.3
79.19470	0.1
81.03417	0.4
81.07055	0.8
83.08662	0.2
84.04497	0.3
86.09711	29.0
89.06042	0.4
91.05482	0.5
93.07056	0.7
95.08608	0.7
98.98467	3.8
104.10752	2.3
105.07044	0.2
107.08607	0.3
109.10188	0.3
117.07016	0.2
119.08596	0.2
121.10131	0.2
121.54444	0.1
125.00012	20.4
131.08585	0.2
133.08623	0.1
140.19795	0.1
145.10127	0.2
147.07971	0.2
184.07349	100.0
185.07666	0.9
191.23480	0.1
218.46005	0.2
267.15961	0.3
404.72318	0.2
491.36880	0.2
522.34363	0.2
636.25421	0.4
697.85754	0.2
732.48071	4.9
733.40302	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28404	0.1
55.05504	0.3
56.05042	1.0
57.07077	0.2
58.06628	0.5
60.08167	6.1
64.65359	0.1
67.05510	0.4
69.07050	0.1
71.07375	3.9
79.05473	0.2
81.07048	0.4
83.08681	0.1
86.09710	29.9
87.10005	0.2
89.06039	0.5
91.05482	0.3
93.07039	0.3
95.04978	0.1
95.08607	0.3
98.98465	3.6
104.10749	2.1
105.07036	0.2
107.08611	0.2
109.10168	0.3
119.08620	0.1
121.10120	0.2
125.00011	21.2
133.08621	0.4
143.01047	0.3
166.02748	0.1
177.11411	0.2
184.07349	100.0
185.07678	1.1
209.29163	0.1
229.10957	0.1
468.23734	0.2
491.37158	0.2
509.21939	0.1
573.88837	0.1
615.88806	0.1
732.48181	4.1
733.47296	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	730.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.05273	0.5
55.05513	5.8
56.05025	1.0
57.03435	2.7
57.07063	1.3
60.07931	0.5
60.08167	5.9
63.01300	0.5
65.03953	0.7
67.05508	19.3
69.07075	4.7
71.05008	3.3
71.07381	3.5
71.08640	2.6
71.16427	1.1
72.07688	0.6
77.03889	0.6
79.05495	10.3
81.03407	1.8
81.06591	0.8
81.07062	14.9
83.04976	2.5
83.08614	3.7
85.02890	0.6
85.06512	1.0
86.09708	32.5
86.72995	0.5
87.10027	1.0
91.05492	8.2
93.07045	12.9
95.04968	2.7
95.08607	7.3
97.02851	0.7
97.06534	2.6
97.10168	2.4
98.98470	4.2
99.08099	2.0
104.10723	2.1
105.07030	7.0
107.04977	0.7
107.08600	5.6
109.10172	8.4
111.08092	1.8
115.05375	0.7
117.07027	2.5
119.08591	3.5
121.06526	0.6
121.10152	2.6
123.08101	0.6
125.00012	21.8
125.09602	1.5
129.07004	1.5
131.08533	3.3
133.06502	0.6
133.10101	3.3
135.08018	0.7
135.11684	2.0
139.11182	0.7
143.08577	1.7
145.10117	2.4
147.11690	1.1
149.09581	0.8
149.13234	2.3
151.11159	2.9
155.10677	0.7
157.10161	1.4
159.11716	2.1
161.13203	0.8
163.11169	1.7
169.12265	0.5
171.11679	1.1
173.11768	1.4
173.13248	0.7
175.14828	1.3
177.12779	0.6
179.14281	1.5
184.07347	100.0
185.07718	4.4
186.07848	1.4
187.14856	0.7
189.11272	0.7
202.22835	0.5
209.12971	0.9
227.12802	2.9
229.14316	4.5
251.16370	0.7
259.20480	0.7
269.17609	3.1
269.36942	0.6
277.21738	3.3
289.89172	0.5
351.25253	4.0
353.24390	0.7
423.27435	11.1
443.27863	0.6
445.29630	3.2
463.30621	5.3
477.32147	0.8
499.37692	0.8
505.35016	2.0
523.18921	0.7
527.37097	2.4
545.38470	7.9
577.40515	0.7
681.25330	0.6
699.26050	1.3
730.46191	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	731.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.05522	2.1
55.80072	0.4
57.03439	1.8
57.07080	0.5
61.02933	5.1
67.05511	6.6
69.03444	3.1
69.07072	1.7
71.04996	0.5
71.08619	0.5
73.02917	4.0
79.05503	3.8
81.03433	2.5
81.07066	6.9
83.08624	1.1
85.02914	3.9
86.09710	0.7
87.04507	0.5
91.03967	2.7
91.05486	3.4
93.07040	5.0
95.04962	0.4
95.08620	3.5
97.02905	4.2
97.06536	0.7
97.10158	0.5
99.04469	0.9
101.02392	1.6
105.07058	1.7
107.08611	3.3
109.02872	0.9
109.06541	0.4
109.10171	1.7
111.08112	0.7
117.07012	1.0
119.08607	1.2
119.69121	0.4
121.10164	2.2
127.03939	1.1
131.08589	1.3
133.10162	0.9
135.11728	0.8
147.11703	0.5
149.13309	1.2
159.11786	0.6
163.11136	0.5
184.07350	2.5
185.04277	0.5
193.12276	1.2
193.80383	0.4
229.58589	0.7
235.13168	1.4
243.08517	1.9
282.01898	0.4
283.15652	0.5
291.15765	0.5
335.25977	0.6
453.20981	4.8
473.24936	0.5
519.29327	7.0
534.38965	0.5
559.34045	0.7
731.43457	100.0
732.43677	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.05032	0.7
58.06620	0.4
59.07395	0.2
60.08168	6.5
67.05493	0.6
69.07073	0.2
69.27843	1.0
71.07377	3.8
79.05496	0.4
81.07063	0.6
86.09712	31.4
87.10036	0.2
91.05495	0.3
93.07054	0.4
95.08611	0.5
97.10172	0.1
98.20802	0.2
98.98473	4.0
104.10749	2.4
105.07032	0.3
107.08627	0.2
109.10211	0.1
119.08594	0.2
125.00014	22.1
126.00359	0.1
131.08551	0.1
135.11678	0.1
142.56013	0.1
143.01076	0.2
147.11760	0.1
154.12027	0.1
184.07353	100.0
185.07674	0.8
256.29364	0.1
450.23013	0.1
466.24265	0.1
520.34204	0.3
547.40082	0.2
594.65540	0.1
730.46606	4.8
731.47076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
56.05038	0.8
58.06616	0.5
59.07378	0.1
60.08164	6.5
61.93150	0.1
63.72435	0.1
67.05489	0.4
69.07071	0.1
70.90365	0.1
70.90671	0.2
71.07374	4.0
79.05489	0.2
81.07047	0.3
83.08540	0.1
85.22707	0.1
85.53588	0.1
86.09708	31.5
87.10059	0.2
91.05468	0.2
92.10418	0.1
93.07040	0.2
95.08610	0.2
98.98465	3.7
104.10737	2.4
105.07067	0.2
107.08672	0.1
118.06039	0.1
125.00008	21.9
136.33191	0.1
142.07750	0.1
143.01105	0.2
182.99861	0.1
184.07343	100.0
185.07660	0.9
234.40585	0.1
468.23856	0.3
730.46558	4.1
731.47064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02783	0.2
52.78976	0.2
56.05037	0.7
58.06639	0.5
60.08167	6.5
67.05510	0.6
70.06606	0.5
71.04998	0.2
71.07384	3.3
71.52226	0.2
78.99646	0.2
79.05489	0.6
81.07064	0.7
83.08663	0.2
86.09711	31.1
88.07611	0.4
91.05482	0.5
93.07061	0.6
95.04987	0.3
95.08646	0.2
98.98475	3.6
102.09200	0.3
104.10746	2.4
106.09455	0.2
107.08620	0.3
109.06387	0.2
109.10163	0.2
112.56341	0.2
117.07082	0.2
119.51167	0.2
125.00014	20.0
142.27969	0.2
145.10103	0.3
149.02382	0.9
184.07353	100.0
185.07736	0.9
193.05014	0.6
232.21689	0.2
247.99585	0.2
284.29431	0.6
436.48245	0.2
470.64499	0.2
473.14682	0.2
518.32721	0.3
612.99646	0.2
712.45544	7.5
713.45251	0.3
730.41669	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01880	0.5
55.05513	1.3
57.03447	2.2
58.74323	0.4
59.04990	0.5
61.02930	4.1
67.05515	2.5
69.03436	2.1
69.07076	1.0
70.03989	1.8
70.04359	0.4
71.01350	0.8
71.04993	1.3
73.02928	2.5
77.34006	0.4
79.05492	2.8
83.04996	1.1
83.08620	0.9
85.02921	4.9
91.03957	2.8
91.05507	3.1
93.07062	1.8
95.04967	2.4
95.08614	1.1
97.02894	3.4
97.06570	0.8
98.20839	0.5
99.04464	1.0
101.02409	1.4
103.03980	0.4
105.07040	2.7
107.04926	0.7
107.08627	1.4
109.02895	0.8
109.06528	0.8
111.08094	0.9
112.41975	0.4
119.08607	2.3
121.10172	1.8
127.03948	2.0
129.07036	1.6
131.08591	1.4
133.10152	1.6
147.11739	1.7
149.09680	1.8
153.37700	0.5
157.10118	2.0
165.12735	0.5
165.91138	0.4
169.77306	0.4
171.67476	0.4
175.11252	1.2
184.07346	0.7
185.04236	0.5
193.12283	2.4
203.05367	0.6
205.99792	0.4
225.14830	0.7
240.01208	0.4
243.08412	2.4
251.12546	0.7
267.16110	0.6
283.15155	3.4
307.15442	0.5
339.17963	0.8
469.20517	9.0
470.21112	0.5
501.23190	9.2
618.93811	0.4
729.36713	100.0
730.36963	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	728.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.5
55.01869	8.0
55.05516	34.7
56.23301	1.7
57.03448	10.7
57.07072	5.2
59.05001	2.3
60.08154	3.6
63.32018	2.1
65.03934	4.1
67.05508	100.0
69.03427	5.1
69.07070	23.1
71.04990	6.9
71.08632	6.0
73.02915	1.9
79.05075	2.9
79.05500	43.3
80.05845	2.1
81.03416	15.2
81.07061	65.1
83.05001	13.2
83.08620	17.3
85.02909	8.6
85.06561	5.4
86.09704	11.5
87.04478	3.4
91.05482	32.1
93.07052	44.5
95.04962	10.8
95.08611	27.7
97.06530	8.9
97.10149	10.6
99.08086	4.3
104.33631	1.7
105.04509	3.0
105.07044	21.0
107.04945	3.0
107.08600	24.1
108.08894	2.0
109.06517	5.8
109.10161	48.9
110.16055	1.8
111.08098	5.2
117.07032	9.4
119.08591	16.5
121.06497	2.5
121.10152	13.1
123.08089	2.3
123.11692	2.9
125.00023	6.4
125.09660	9.7
129.07028	3.5
131.08595	12.0
133.10143	12.3
135.08057	2.6
135.11694	8.6
137.09621	4.4
139.11246	2.6
143.08572	3.0
143.10698	2.6
145.10147	7.6
147.11720	4.6
147.93890	2.0
149.09695	2.4
149.13275	12.2
151.11189	6.0
155.10651	4.2
157.10129	2.3
159.11703	8.3
161.13306	4.5
163.11203	9.1
165.12880	2.4
171.11687	2.4
173.11755	12.3
177.12689	5.1
181.12231	2.3
184.07347	33.4
185.07832	2.1
191.10559	2.1
193.12228	2.6
195.13824	6.2
199.13345	3.7
209.11787	3.8
227.12720	3.8
229.14371	26.4
255.15833	3.4
259.20578	3.1
267.15924	3.3
269.17456	22.1
270.17950	2.5
275.20230	2.0
277.21680	8.7
301.16476	2.6
335.25980	2.6
351.25415	7.8
399.23630	10.5
423.27408	32.1
467.37131	2.2
495.29099	2.8
502.45969	1.9
531.39435	3.4
593.36987	31.5
595.38416	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	728.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.4
55.01874	8.3
55.05515	31.7
56.05813	0.8
57.03439	11.6
57.07071	4.4
59.05000	3.7
59.74728	1.0
60.08161	3.5
65.03942	4.9
65.79053	0.9
67.05508	100.0
68.05825	2.2
69.03433	3.7
69.06728	1.7
69.07073	21.1
69.15755	1.1
69.16154	9.6
71.01364	1.0
71.05000	5.3
71.07379	1.7
71.08630	6.7
71.52248	0.9
73.02891	2.2
77.03938	1.0
79.05499	43.0
80.05817	1.3
81.03425	11.8
81.07061	62.3
83.04990	14.8
83.08627	16.1
85.02911	5.8
85.06533	3.5
86.09708	12.6
87.04483	4.9
87.10042	2.8
91.05489	34.8
92.05796	1.2
93.07051	43.5
93.07643	2.2
95.04980	16.4
95.08614	25.0
96.08936	1.0
96.53699	1.3
97.02894	2.6
97.06535	9.2
97.10178	11.1
98.98411	1.2
99.04485	1.0
99.08101	8.2
103.05475	1.3
105.04535	1.4
105.07034	17.8
107.04961	3.2
107.08598	21.6
108.08942	1.0
109.06522	5.5
109.10166	50.9
111.04421	1.6
111.08101	6.6
113.09684	2.3
117.07027	8.4
119.08598	15.5
121.06516	3.7
121.10152	13.0
123.08061	3.5
123.11702	3.5
125.00018	9.5
125.09634	10.0
129.05496	2.3
129.07028	4.4
131.08572	9.5
133.06561	1.3
133.10138	11.2
135.08067	2.4
135.11711	8.7
137.09622	3.2
139.11195	1.9
143.08563	1.4
143.10693	1.4
145.10120	5.1
147.08038	1.4
147.11702	6.4
149.09642	2.2
149.13255	11.4
151.11185	8.9
153.12769	1.3
155.08705	1.4
155.10658	3.3
157.10127	3.2
159.11719	6.5
161.13293	2.8
163.11212	8.1
165.12740	1.8
171.11655	1.2
173.09593	1.1
173.11758	13.9
173.13184	1.6
175.14839	1.3
177.12772	4.4
179.14322	3.2
181.12239	2.0
184.07356	39.6
185.07716	7.6
185.13310	2.4
186.07869	3.2
189.11215	1.7
193.12308	4.1
195.13782	5.4
199.13260	3.6
199.14899	1.4
201.14864	1.2
209.11703	2.4
211.38399	0.9
219.13307	0.9
227.12778	7.5
229.14360	19.7
231.21239	1.2
241.19682	1.5
251.16446	3.2
255.15921	1.3
259.20728	2.1
267.15848	2.2
269.17490	13.3
270.17642	1.2
275.20135	1.7
277.21634	9.7
283.15506	1.0
301.16513	4.5
323.18692	1.7
335.25766	1.5
351.25333	10.9
393.26315	1.3
399.23807	6.0
423.27457	37.7
424.27930	1.5
495.29309	3.2
505.35187	3.0
531.39917	1.4
554.97650	1.2
593.36896	37.6
594.37231	2.3
728.46857	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	728.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01867	3.9
55.05518	14.6
57.03440	8.2
57.07088	1.5
60.08164	2.5
61.02924	1.3
61.46712	1.2
65.03940	1.5
65.63299	1.0
67.05508	50.7
69.03420	3.4
69.07065	13.3
69.44679	1.1
70.26534	2.2
70.26925	2.3
70.44337	1.0
71.04990	3.1
71.07388	1.5
71.08624	1.9
79.05495	27.1
81.03415	3.5
81.07063	49.5
81.54766	1.3
83.04970	5.2
83.08606	4.5
85.02906	2.1
85.06536	5.0
86.09712	14.9
86.97394	1.2
91.05486	34.6
93.07052	29.1
95.04981	6.1
95.08611	18.9
95.40592	1.0
97.02899	1.9
97.06518	5.2
97.10189	2.9
98.98454	2.1
99.04447	2.7
104.10713	1.2
105.07038	27.4
107.04936	1.9
107.08601	29.3
109.06509	4.5
109.10165	47.2
111.08116	1.6
113.06042	1.6
117.07017	6.1
119.08607	8.8
121.10153	10.2
123.08058	2.3
123.11715	8.9
125.00027	8.9
125.09622	2.9
127.07545	2.0
131.08609	7.0
133.06502	1.3
133.10138	52.1
135.11668	7.3
143.08594	2.1
145.10127	6.2
147.11679	3.2
149.13268	4.2
151.11183	20.3
157.10179	1.4
159.11749	2.4
161.09601	1.4
161.13229	1.4
163.11263	1.3
163.14859	2.1
165.79926	1.2
169.12239	3.7
173.13208	2.1
175.14798	1.5
179.10707	1.8
184.07352	42.6
184.09013	2.2
209.11644	1.5
215.12749	1.7
227.12752	2.2
229.14317	1.2
243.21060	3.0
253.14371	100.0
261.22122	10.9
271.15396	28.1
275.20038	1.4
279.23044	1.3
293.21158	3.7
317.24850	2.4
335.25836	46.6
351.25180	1.3
457.33148	2.4
495.29272	1.9
513.35883	6.3
531.36884	45.0
532.36743	2.1
545.38556	1.8
561.37616	3.0
669.37183	1.9
728.44794	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	728.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01847	2.2
55.05514	15.3
57.03453	9.7
57.07055	2.0
60.08153	6.4
65.03924	3.6
67.05509	44.7
69.03404	1.6
69.07070	10.9
70.93692	1.9
71.01338	3.2
71.04973	4.6
71.07386	3.1
71.52017	2.5
73.18684	1.6
74.09687	2.9
79.05074	2.9
79.05498	42.2
81.03416	4.4
81.07054	31.9
82.50127	1.7
83.04973	7.3
83.08615	5.6
85.02904	2.7
85.06555	4.1
86.09710	28.9
89.46111	1.7
91.05482	37.6
93.06483	3.2
93.07048	50.6
95.04958	5.7
95.08610	17.7
97.06519	7.1
97.10146	7.0
98.98463	4.7
99.08072	2.1
103.90731	1.5
105.07036	39.5
106.87592	1.5
107.08598	27.1
109.10172	10.7
111.08077	2.1
117.07030	12.5
119.07799	2.8
119.08588	33.3
121.10137	13.0
123.11716	2.2
124.99994	20.3
129.07004	7.1
131.08578	10.2
133.10146	27.5
135.10696	2.5
135.11694	32.6
143.08528	5.8
145.10143	14.7
147.11681	24.5
149.13264	5.7
151.11147	2.9
157.10118	6.3
159.11711	10.0
161.13254	14.5
163.11171	4.9
169.10089	2.2
171.11679	4.4
173.13275	6.0
175.14807	6.1
181.12257	11.4
183.11705	2.4
184.07349	100.0
185.13254	5.3
197.13203	1.9
199.14835	2.7
231.20973	4.0
241.19536	16.8
253.14354	4.8
255.15904	48.8
259.20575	48.7
275.20386	2.6
315.23117	3.1
333.24243	24.5
421.30969	3.1
439.31882	3.1
513.35742	34.3
514.35779	2.0
531.36664	8.0
728.44690	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	728.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
55.05516	0.5
56.05021	0.8
57.03435	0.3
58.06622	0.5
60.08167	6.4
65.03934	0.2
67.05503	1.8
69.07070	0.5
69.10639	0.2
71.07376	3.7
71.08621	0.2
71.51546	0.2
79.05501	1.0
81.03419	0.4
81.07050	1.5
83.04966	0.4
83.08591	0.3
85.02863	0.2
86.09708	31.9
87.10028	0.2
87.44958	0.2
91.05476	0.9
93.07049	1.0
95.04961	0.4
95.08617	0.8
97.06535	0.2
97.10188	0.2
98.98464	3.8
104.10744	1.9
105.07037	0.6
107.08603	0.6
109.10157	0.7
117.07011	0.3
119.08584	0.5
121.10130	0.2
125.00008	21.7
125.09578	0.2
133.10107	0.3
143.08664	0.2
149.09564	0.2
151.11154	0.2
157.10156	0.2
163.11176	0.2
165.13095	0.2
184.07341	100.0
185.07686	0.6
189.21672	0.2
227.12923	0.2
229.14412	0.2
271.15366	0.6
301.16534	0.3
329.84265	0.2
335.25748	0.5
495.29626	0.3
520.33551	0.4
526.53229	0.2
528.85242	0.2
531.37445	0.2
548.40265	0.2
577.36725	0.2
579.08582	0.2
712.47369	0.2
728.33167	0.3
728.44910	3.7
729.45148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.3
55.01877	4.9
55.05520	8.1
57.03439	4.9
57.07086	1.6
61.02929	2.1
63.47564	0.9
67.05509	44.3
69.03434	3.7
69.07070	10.4
71.05003	3.2
71.51434	0.8
71.51881	1.2
79.05500	21.5
80.53870	0.9
81.03411	4.8
81.07063	39.3
82.07420	1.0
83.04996	5.0
83.08617	3.2
85.02902	2.7
85.06530	3.5
86.09715	4.5
91.05490	26.8
93.07052	22.9
95.04984	4.8
95.08615	16.2
97.06521	2.2
97.10159	1.6
99.04456	1.9
103.05461	1.1
105.07041	24.1
107.08604	26.7
107.09312	1.9
109.06516	2.9
109.10161	39.9
117.06999	2.8
119.08587	5.4
121.10115	7.3
123.08054	1.4
123.11702	6.8
124.99993	4.7
125.09682	1.7
127.07587	1.5
131.08545	5.9
133.06361	1.1
133.09123	2.2
133.10138	45.1
135.11711	5.0
137.13284	1.2
143.08501	1.2
145.10147	3.1
147.11699	1.5
149.09645	1.3
149.13258	2.7
151.11182	22.4
158.78285	0.9
159.11676	2.4
161.09653	1.4
163.14771	1.5
169.12296	5.3
173.13295	1.4
176.02924	1.0
179.10626	1.2
184.07355	19.5
215.12831	1.7
218.35182	1.0
243.21031	2.1
253.14365	100.0
254.14766	2.0
261.22180	11.2
271.15417	32.1
279.23267	1.1
317.24744	1.2
335.25839	27.3
336.26349	1.5
422.43509	1.3
439.32001	1.9
457.33374	2.4
513.35779	9.0
531.36871	33.1
532.37286	1.7
669.36414	1.6
728.44513	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	728.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.2
56.05029	0.9
58.06639	0.4
59.07394	0.1
60.08167	6.2
60.40042	0.1
67.05510	0.5
69.74902	0.5
70.06611	0.1
71.07375	4.4
77.55279	0.1
79.05499	0.5
81.03400	0.1
81.07049	0.6
83.04984	0.2
86.09709	32.1
87.10060	0.1
91.05481	0.2
93.07059	0.3
95.04965	0.1
95.08652	0.1
98.98469	4.2
104.10748	2.4
105.07050	0.3
107.08593	0.2
109.06565	0.1
109.10223	0.1
113.19705	0.1
119.08604	0.3
125.00010	24.1
126.00338	0.1
131.08568	0.2
143.01088	0.1
181.12152	0.2
184.07346	100.0
185.07726	0.7
463.90356	0.1
531.35547	0.1
728.44952	3.3
729.45007	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	728.45
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.2
56.05030	0.7
58.06623	0.5
59.07389	0.2
60.08166	5.8
67.05496	0.5
69.07077	0.2
71.06983	0.2
71.07380	3.4
71.51121	0.1
73.57825	0.1
79.05492	0.4
81.03407	0.2
81.07047	0.5
83.08642	0.2
86.09710	29.7
87.10017	0.2
90.16053	0.1
91.05477	0.4
93.07030	0.4
95.04925	0.1
95.08607	0.4
98.98475	3.5
104.10748	2.5
105.07052	0.2
107.04977	0.1
109.10182	0.2
117.07051	0.1
119.08584	0.2
119.39632	0.1
125.00012	21.0
126.80145	0.1
131.08545	0.1
133.10188	0.2
142.33768	0.1
157.10138	0.2
166.02611	0.1
166.08414	0.1
184.07349	100.0
185.07709	0.7
232.53894	0.1
274.23141	0.1
304.05179	0.1
351.76419	0.1
518.32269	0.3
548.67444	0.1
553.13855	0.1
710.43634	0.1
728.44995	4.2
729.44958	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	728.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.1
56.05031	0.7
58.06615	0.4
59.64897	0.2
60.08166	7.0
67.05507	3.3
68.05864	0.3
68.06264	0.2
69.03426	0.3
69.07061	1.2
70.06599	0.3
71.05007	0.4
71.07375	4.0
71.08616	0.4
71.16566	0.2
77.72530	0.2
79.05494	2.0
81.03433	0.6
81.07064	2.4
83.04971	0.6
83.08628	0.7
86.09708	33.4
87.10055	0.2
91.05484	1.8
93.07038	1.9
95.04995	0.5
95.08616	1.8
97.10150	0.6
98.98453	3.0
99.08068	0.3
103.51493	0.2
104.10736	2.3
105.07038	1.5
107.05015	0.2
107.08601	1.2
109.10142	1.5
111.07996	0.2
117.07072	0.6
119.08580	1.1
121.06568	0.3
121.10117	0.3
125.00008	23.4
125.09630	0.4
129.07008	0.3
131.08551	0.4
133.10141	0.9
135.08081	0.3
135.11681	0.6
143.08592	0.3
145.10167	0.4
147.11690	0.3
157.10210	0.2
159.11708	0.4
163.11122	0.5
173.13263	0.3
184.07344	100.0
185.07745	0.6
191.10699	0.2
215.47530	0.2
227.12759	0.7
229.14407	0.7
269.17200	0.4
271.15320	0.3
275.20120	0.5
335.25903	0.3
351.25049	0.3
353.02737	0.2
423.27209	0.8
531.36688	0.3
545.38440	0.4
728.45093	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	727.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01872	1.7
55.05503	2.0
57.03437	2.1
59.04996	1.2
60.08153	1.9
61.02930	3.9
67.05511	6.8
69.03430	3.2
69.07073	1.0
71.01376	0.6
71.04993	2.9
71.07370	1.1
73.02913	3.6
79.05483	4.6
81.03426	7.7
81.07056	5.0
82.03761	0.6
82.07378	0.4
83.04978	1.5
83.08609	2.2
85.02900	4.6
86.09705	6.9
86.47519	0.4
87.10027	0.8
91.03947	2.5
91.05487	5.2
93.07049	3.7
94.07394	0.5
95.04985	2.8
95.08617	2.0
97.02892	5.0
97.06535	1.8
97.10149	0.9
98.98489	0.8
99.04442	1.2
99.08120	0.7
101.02380	1.6
103.03962	0.7
105.07037	3.5
107.04981	1.4
107.08586	3.2
109.02869	1.1
109.06510	2.0
109.10159	2.1
110.06862	0.5
111.04443	0.7
111.08109	0.9
115.07575	0.5
117.07025	0.7
119.08558	2.5
121.06498	0.9
121.10162	2.6
123.08122	0.7
124.90341	0.6
125.00010	5.3
125.09621	0.8
127.03943	1.9
129.05478	0.7
129.06970	1.5
131.08562	3.0
133.10136	2.1
135.11693	1.7
137.09619	0.6
145.05127	0.5
145.10173	1.6
147.11707	1.5
149.09663	1.8
153.01991	0.5
157.10170	1.3
163.11238	2.1
165.12776	0.6
171.12001	0.5
175.11201	1.2
184.07349	20.5
185.07707	3.6
193.12315	1.9
243.08459	2.9
267.15897	2.1
283.15204	2.9
339.17953	0.8
422.26215	0.9
424.99023	0.5
447.27426	1.4
448.27777	5.5
467.18918	8.2
469.20953	0.6
501.23129	8.1
510.43558	0.5
565.29291	0.6
677.38611	1.9
695.32446	1.0
727.35126	100.0
728.35547	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	727.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15450	0.5
53.03949	1.2
55.01874	1.4
55.05510	2.3
57.03434	1.8
59.04998	1.0
61.02928	3.5
67.05509	6.1
68.05833	0.5
69.03442	2.6
69.07082	1.6
69.47556	1.2
69.47950	3.4
70.06593	0.7
71.04992	3.0
73.02914	3.2
79.05490	4.9
79.60855	0.4
81.03419	8.7
81.03867	0.7
81.07059	6.6
82.03757	0.6
83.04984	1.8
83.08628	2.0
85.02911	2.7
85.06533	1.0
86.09711	2.7
87.04484	0.7
87.35477	0.5
88.03220	0.5
91.03960	1.9
91.05482	6.4
92.05838	0.7
93.07056	5.4
95.04971	3.4
95.08608	3.3
97.02906	2.6
97.06559	1.4
97.10172	0.9
98.21581	0.6
99.04465	1.1
99.08068	0.5
101.02405	0.9
104.02581	0.4
105.07033	4.0
107.04977	2.1
107.08627	2.5
109.02883	0.9
109.06570	1.1
109.10156	1.9
111.08089	1.4
115.47363	0.5
117.07024	0.9
119.08611	2.3
121.06550	1.6
121.10139	2.5
123.08079	0.5
125.00023	1.9
125.90748	0.5
127.03981	1.5
129.07011	1.6
131.08612	2.5
133.10175	2.2
135.11685	3.2
137.09604	0.9
145.10129	2.4
147.11729	1.9
149.09653	1.8
151.11176	0.5
157.10167	2.0
159.11613	0.6
163.11166	4.2
168.51521	0.5
175.11212	1.5
181.12242	0.9
184.07373	9.0
185.07698	1.3
187.13400	0.6
193.12199	2.8
194.12770	0.7
203.05479	0.5
211.13321	1.1
227.12823	2.9
243.08459	3.0
249.11000	6.9
267.09076	0.5
267.15894	2.5
268.16235	1.2
269.17435	0.5
283.15134	2.8
285.16702	0.6
286.17557	0.7
305.13651	2.0
339.17590	0.7
436.27643	1.2
447.28082	0.7
448.27893	2.3
461.28912	2.6
462.29285	5.1
467.18954	10.6
469.20560	0.9
478.29214	0.9
480.29800	1.0
501.23108	12.6
565.30090	0.8
679.34900	0.6
727.35120	100.0
728.35516	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	726.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.3
55.01880	8.3
55.05515	33.1
57.03441	11.4
57.07075	4.8
59.05008	2.4
61.02914	1.4
65.03953	5.7
67.05510	100.0
69.03419	5.6
69.07072	24.5
71.01355	2.0
71.04990	6.5
71.08646	2.3
71.51492	1.7
73.02914	3.3
79.05499	48.0
81.03422	14.9
81.07063	69.6
83.04990	13.7
83.08622	17.7
85.02908	8.8
85.06548	4.2
86.09720	6.3
87.04475	3.5
91.05490	40.6
93.07049	47.8
94.07363	1.4
95.04972	12.8
95.08612	30.7
97.02904	2.7
97.06522	11.3
97.10170	11.7
98.98502	1.9
99.08105	4.1
105.04536	3.5
105.07038	27.7
107.04960	5.2
107.08601	29.1
109.06534	6.0
109.10169	50.5
110.10447	1.6
111.04469	1.7
111.08094	7.6
113.06082	1.5
115.05442	1.3
117.07034	11.8
118.09822	1.0
119.08585	21.7
121.06515	5.0
121.10159	15.0
123.08079	4.4
123.11716	4.3
125.00017	4.1
125.09615	12.7
129.05501	2.4
129.07024	4.2
131.08572	11.9
133.06482	1.2
133.10132	18.8
135.08057	3.4
135.11719	18.5
137.09621	5.7
143.08565	2.7
145.10149	12.7
147.08067	2.4
147.11670	9.5
149.09598	6.4
149.13266	11.2
151.11180	2.2
153.12738	3.0
155.08582	1.4
155.10718	3.1
157.10164	3.3
158.21021	1.2
159.11688	10.4
161.13254	2.2
163.11156	8.9
165.12788	1.6
171.11658	1.5
173.09576	1.6
173.11765	10.9
173.13309	3.7
175.11211	1.6
175.14757	1.4
177.12749	4.2
179.14355	2.3
181.12276	3.8
184.07359	18.9
185.07776	4.8
186.07805	1.9
191.10680	1.4
193.12247	3.7
195.13814	6.4
199.13324	3.7
209.11765	3.4
227.12756	3.5
229.14336	25.9
229.19417	1.8
251.16336	2.2
253.14371	2.5
255.15944	8.5
255.23193	3.4
256.15884	1.2
257.19067	3.8
261.22101	1.6
267.15930	4.9
269.17508	17.3
275.20038	17.1
275.22772	1.4
277.21594	1.9
283.15576	2.0
293.21234	4.5
297.44104	1.3
301.16431	5.3
322.67886	1.2
335.25888	11.2
349.23825	7.9
367.24634	1.6
399.23846	8.5
409.25864	3.8
423.27441	23.9
424.27335	1.6
461.27930	1.2
489.35559	1.9
503.33844	2.1
519.36310	1.5
521.35425	2.0
525.48883	1.2
529.38910	11.4
537.37903	1.6
561.37280	1.6
579.35095	2.8
593.36908	27.0
594.37231	1.5
628.46393	2.6
726.47736	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89400	1.1
53.03938	4.6
55.01851	2.3
55.05517	17.9
57.03442	14.8
57.07074	2.1
61.02913	2.2
65.03925	1.6
67.05508	74.3
69.03423	2.0
69.07072	22.4
71.04988	3.0
73.02904	2.2
79.05500	49.1
81.03417	1.6
81.07059	80.2
83.04974	5.9
83.08633	13.1
85.02905	3.0
85.06528	4.4
91.03986	1.4
91.05484	23.1
93.07050	61.0
95.04958	4.6
95.08610	41.4
97.02882	2.7
97.06545	11.5
97.10183	1.6
98.20770	4.3
99.08083	2.9
105.07021	9.5
107.08598	33.9
109.06506	3.0
109.10158	12.1
111.08099	4.6
117.07015	7.0
119.08567	8.5
121.10155	26.7
123.08041	1.8
123.11715	4.4
127.03908	1.3
129.06859	1.6
131.08563	13.1
133.10156	8.2
133.51443	1.5
135.08081	1.6
135.11685	13.5
145.10132	4.5
147.11662	3.7
149.13269	30.0
159.11700	15.2
161.13252	3.6
163.14812	1.4
173.13275	2.1
175.19675	1.3
177.12785	4.2
184.07349	4.7
195.13817	11.3
208.39082	1.4
213.14870	1.4
218.86768	1.3
225.62328	1.4
243.21178	2.8
248.42336	1.3
261.22125	11.2
267.15842	2.5
267.24112	1.5
269.17502	100.0
270.17877	2.3
270.44260	1.3
317.24857	2.1
335.25815	54.3
336.26266	1.4
437.34256	2.5
455.34985	2.0
529.38916	91.3
530.39020	5.3
547.39569	2.6
726.45020	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	726.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.7
55.01891	7.7
55.05513	35.2
57.03442	19.9
57.07072	4.6
59.05005	4.2
65.03941	4.7
67.05508	100.0
69.03436	8.3
69.07069	25.1
69.47020	10.1
71.01370	1.5
71.04987	7.4
71.08633	2.8
73.02905	1.9
74.09715	2.5
76.57115	1.3
79.05494	55.6
81.03436	15.0
81.07062	73.7
83.04984	13.8
83.08620	17.4
84.08126	1.9
85.02907	8.0
85.06564	7.0
86.09723	2.7
87.04479	3.7
91.05485	41.2
92.05801	1.3
93.07049	49.5
93.45698	1.4
94.95858	1.2
95.04977	13.9
95.08614	30.6
96.08913	1.6
97.02882	2.6
97.06526	11.6
97.10179	12.4
99.04505	1.3
99.08093	3.5
105.07043	28.6
106.07401	1.5
107.04957	7.3
107.08598	32.6
109.06524	9.3
109.10164	57.3
110.10378	1.4
111.04456	2.4
111.08080	9.1
115.05464	1.8
116.06255	1.5
117.06997	11.4
119.08582	24.1
121.06492	4.1
121.10161	14.6
123.08056	4.2
123.11684	3.7
125.05894	1.5
125.09630	12.8
128.06158	1.5
129.05559	3.0
129.07001	6.6
130.06546	1.2
130.08644	5.4
131.08566	17.1
133.06493	2.0
133.10139	23.2
135.08066	5.2
135.11676	16.1
135.30066	1.3
137.09637	7.4
137.13188	1.2
139.28287	1.2
140.02472	1.2
143.08554	3.4
143.10695	1.5
145.10132	13.8
147.08145	1.7
147.11717	9.3
149.09644	6.9
149.13283	11.3
151.11137	3.0
153.12724	2.8
153.39893	1.7
155.08562	1.7
155.10626	3.7
157.08664	1.5
157.10083	2.9
157.34380	1.2
159.11687	10.2
161.09647	1.7
161.13268	4.6
163.11185	10.6
165.09200	1.3
169.10066	1.7
173.09584	2.6
173.10333	1.4
173.11758	13.9
173.13338	3.9
175.11244	1.7
177.12769	3.9
181.12250	2.9
184.07368	3.6
191.10696	2.4
193.12280	3.2
195.13841	5.6
199.13335	5.1
209.11771	1.8
211.13290	1.5
227.12772	3.7
229.14359	27.7
239.17911	2.9
251.16550	1.8
253.14371	1.5
255.15979	13.6
255.23277	3.9
257.19000	4.0
267.15915	5.4
269.17502	21.4
275.20105	18.7
277.21677	2.8
293.21088	1.6
301.16470	4.3
334.23941	1.6
335.25781	9.4
337.27335	1.7
349.23715	10.7
367.24817	3.0
394.26883	1.5
399.23785	9.6
409.25955	8.8
423.27390	22.0
489.35791	2.4
495.29660	2.9
503.33972	2.3
515.37323	1.8
521.34723	1.5
529.39001	8.5
543.36151	2.4
547.39667	2.7
579.34930	3.3
593.36853	21.3
628.46991	2.8
650.70966	1.5
667.36273	2.2
673.42938	1.5
726.44696	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87384	1.1
53.03940	5.1
55.01871	2.8
55.05514	17.3
57.03441	13.0
61.02919	4.7
61.15184	1.1
65.03945	2.6
67.05507	68.3
69.03433	1.9
69.07069	18.9
69.28198	11.8
71.04996	5.3
73.02901	1.7
79.05494	51.3
81.03420	3.6
81.07057	90.0
83.04984	5.1
83.08623	16.3
85.02924	5.1
85.06548	1.8
91.03951	1.9
91.05477	32.1
93.07049	56.8
95.04967	2.6
95.08611	41.4
97.02898	2.7
97.05997	1.2
97.06507	7.1
97.10159	2.8
97.32546	1.2
99.08062	2.2
105.04571	1.5
105.07024	17.6
107.08603	33.1
109.06532	1.6
109.10154	14.9
111.08081	4.4
117.07021	13.1
119.08582	10.0
121.06529	2.1
121.10142	19.3
123.11717	9.2
125.09679	1.3
131.08585	11.9
133.10129	16.3
135.08081	1.9
135.11699	14.0
137.13223	1.6
143.08589	1.2
145.10115	5.8
147.11705	4.7
149.13264	16.6
153.09242	1.3
159.11690	8.4
161.13284	4.6
163.14879	2.5
173.11891	1.5
173.13283	4.4
177.12698	3.3
179.14441	1.3
184.07465	1.7
195.13770	12.5
213.14835	3.1
243.21088	3.5
261.22250	8.4
267.15933	2.2
269.17484	91.6
270.17844	2.5
279.06528	1.2
293.21118	3.6
317.24777	3.0
335.25812	84.5
336.26151	2.8
437.34274	2.5
455.35550	1.6
511.37473	1.5
529.38910	100.0
530.38959	4.4
536.97357	1.5
646.99261	1.6
683.36438	1.3
688.39117	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	726.472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.2
53.03944	0.3
55.05515	1.3
56.05031	1.0
57.03435	0.6
58.06620	0.4
60.08168	6.1
61.02937	0.2
67.05509	4.2
69.07070	1.3
69.93638	0.1
71.05015	0.2
71.07375	3.6
75.85829	0.2
78.76598	0.2
79.05495	2.8
81.03419	0.4
81.07066	4.6
83.04961	0.3
83.08632	0.7
86.09711	31.5
91.05483	1.6
93.07042	2.8
95.04965	0.4
95.08616	1.9
97.06531	0.4
97.10197	0.3
98.21635	0.4
98.98469	3.6
104.10754	3.1
105.07037	0.9
107.08591	1.7
109.10159	1.1
111.08082	0.2
117.07008	0.6
119.08599	0.6
121.10164	1.2
123.11779	0.3
125.00014	21.5
131.08571	0.5
133.10132	1.2
135.11725	0.7
137.13211	0.2
145.10103	0.3
147.11705	0.4
149.13237	0.7
153.74469	0.2
159.11713	0.3
173.13269	0.2
179.14278	0.3
184.07350	100.0
185.07640	0.7
195.13828	0.5
228.21149	0.2
261.22162	0.5
269.17499	3.0
293.21219	0.3
335.25851	3.7
335.29855	0.3
431.65204	0.2
505.35022	0.2
520.33313	0.3
529.31537	0.3
529.38977	4.0
543.40112	0.2
546.92529	0.2
559.32690	0.2
628.46515	0.3
689.43445	0.2
713.07990	0.2
726.47137	4.9
727.46844	0.2
732.33270	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	726.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01866	2.9
55.05512	7.8
57.03440	8.2
59.05000	1.5
59.56194	0.7
60.31694	0.7
61.02933	1.7
63.81117	0.6
64.52586	0.7
65.03945	1.1
67.05511	40.9
69.03429	3.1
69.07070	5.7
70.07966	3.2
71.05000	13.3
73.02919	1.4
79.05495	15.4
81.03425	22.6
81.07061	17.3
83.04979	3.9
83.08624	8.8
85.02905	1.9
85.06535	2.7
88.01060	0.7
91.03951	1.2
91.05484	20.4
93.07052	14.3
95.04976	13.9
95.08612	9.5
97.02917	1.7
97.06525	2.9
97.10187	4.4
98.20866	0.8
99.08106	0.8
105.07042	11.5
107.04965	8.4
107.08595	10.3
109.02863	0.7
109.06524	7.9
109.10164	25.7
110.10500	1.2
111.04474	0.9
111.08071	3.3
113.05951	0.9
115.05450	1.0
117.07038	3.1
119.08591	9.5
120.08099	0.7
121.06507	7.9
121.10142	4.8
123.08079	1.9
123.11710	0.7
125.09636	3.9
129.07030	5.8
129.22818	0.7
131.08572	6.9
133.06491	1.9
133.10152	6.4
135.08080	4.1
135.11697	5.2
137.09642	4.6
139.11220	1.0
141.07021	1.6
142.07794	1.0
143.08565	2.1
145.06509	1.9
145.10135	5.2
147.08063	2.6
147.11728	4.1
149.09650	2.8
149.13231	0.8
151.11241	2.1
153.09145	0.7
155.08612	0.9
155.10712	0.8
157.10118	5.1
159.08162	1.5
159.11703	2.1
159.67064	0.7
161.09702	0.8
161.30824	0.7
163.11243	4.6
165.12881	1.1
167.10719	1.3
169.10101	1.2
171.08070	0.9
171.11734	1.3
173.09644	0.8
173.11806	2.6
173.13231	1.0
175.11224	2.9
177.12842	1.5
183.11803	0.9
184.07358	1.3
185.09654	0.8
185.13300	1.2
187.11169	1.0
189.09320	0.7
189.11203	1.7
189.12813	0.9
191.14371	2.1
193.09938	0.6
193.10524	0.8
193.12241	6.2
193.61894	0.7
197.13322	0.7
199.11171	0.8
201.12814	1.5
203.10651	1.8
203.14293	1.7
205.12312	1.3
209.11531	0.8
211.13385	2.0
213.12766	1.0
219.13866	3.1
223.13210	1.0
227.12804	1.4
229.14362	2.3
243.15921	1.7
249.14885	1.1
253.14290	5.1
255.16048	1.3
267.15915	9.1
268.16318	1.5
271.15503	0.9
273.14908	1.0
275.16431	0.9
285.17252	1.2
286.17258	1.1
287.18512	2.4
327.23450	0.9
329.21115	5.9
337.21649	1.4
347.22107	1.2
355.22775	2.7
357.24414	1.0
403.24951	4.6
411.25452	1.2
421.25888	16.9
425.25287	2.2
429.26306	9.9
447.27460	100.0
448.27637	4.3
461.28650	3.4
478.29193	1.0
479.29996	8.0
546.30475	1.5
547.29285	1.1
564.31848	4.7
726.31598	0.8
727.34369	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	725.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01867	1.4
55.05513	4.1
57.03449	3.0
59.04997	1.8
59.11917	0.5
61.02927	4.2
65.03961	0.5
67.05508	11.0
68.05851	1.3
69.03422	3.1
69.07054	2.8
69.84498	0.8
69.84901	2.1
70.06602	0.7
71.01373	0.5
71.05003	3.4
73.02898	2.5
79.05493	8.4
80.05830	1.1
81.03429	5.5
81.07056	11.4
82.07397	1.5
83.04997	2.4
83.08624	3.2
85.02905	3.7
85.06583	1.2
87.04469	2.4
91.03973	1.8
91.05491	6.4
92.05854	0.8
93.07051	7.8
94.07398	0.6
95.04984	1.9
95.08607	3.1
96.08971	0.4
97.02893	4.0
97.06535	2.1
97.10185	1.7
99.04465	2.0
101.02401	1.1
103.03928	0.5
105.07043	4.5
107.04961	1.5
107.08597	5.3
108.08959	0.6
109.02891	0.9
109.10159	3.9
110.10519	0.6
110.55573	0.4
111.04484	0.9
111.08091	0.8
117.07051	1.0
119.08563	3.4
121.06470	0.6
121.10181	2.6
122.10514	0.6
123.08156	0.9
125.09645	0.9
127.03937	1.1
129.07025	1.4
131.08603	1.4
133.10175	3.3
135.11703	1.2
145.10158	1.8
147.11720	2.3
149.09683	1.8
149.13321	1.8
150.13588	0.7
153.12804	0.7
155.10620	0.7
155.43829	0.5
157.10208	0.8
159.11707	1.0
161.13339	0.5
163.11246	1.3
171.11746	0.5
173.11774	1.0
184.07265	0.7
193.12314	1.6
195.13800	1.1
199.13373	0.7
200.13673	0.6
212.24084	0.5
227.12982	0.7
229.14357	2.8
230.14719	1.0
243.08498	1.9
247.13162	1.4
267.16095	1.4
268.16388	0.5
269.17560	3.8
270.17816	2.4
275.20059	0.6
277.44662	0.5
283.15222	2.5
284.15924	0.7
285.06741	0.5
339.17896	1.0
370.14368	0.6
423.27530	2.2
424.27798	6.3
452.27136	1.1
465.20978	9.4
501.23071	8.8
528.32715	0.6
725.37225	100.0
726.37744	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	726.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01865	1.3
55.05514	4.7
56.05027	0.5
57.03445	3.8
58.06597	0.9
60.08166	5.5
61.02918	1.5
65.03931	1.1
67.05186	0.7
67.05513	11.6
68.05829	0.7
69.03418	1.8
69.07072	2.7
70.06590	0.6
71.01355	0.6
71.05002	1.9
71.07371	2.9
77.59285	0.4
79.05070	0.7
79.05498	9.2
81.03423	13.8
81.06595	0.5
81.07067	9.6
83.04989	4.2
83.08622	4.6
84.29140	0.4
85.02914	3.1
85.06537	1.0
86.09712	26.8
87.04477	1.0
91.03941	0.6
91.05490	8.7
92.05834	0.6
93.07048	7.2
95.04979	5.9
95.08618	4.2
97.02896	1.9
97.06528	1.7
97.10165	1.8
98.10413	0.4
98.21503	1.2
98.98471	2.8
99.04465	0.6
104.10746	2.2
105.07031	6.1
107.04965	3.0
107.08587	4.1
109.02869	0.5
109.06504	1.8
109.10162	4.9
111.04428	1.4
111.08080	2.2
115.05456	0.5
115.19099	0.4
117.06998	1.8
119.08602	4.5
121.06509	1.2
121.10151	6.7
123.04459	0.7
123.08057	1.3
123.11694	0.8
125.00014	17.5
125.09619	2.0
127.03913	0.7
129.05489	0.6
129.06989	2.2
131.08574	4.6
133.10141	3.0
135.08067	0.8
135.11667	1.8
137.05978	0.5
137.09624	0.6
139.11214	0.5
142.07751	0.5
145.06415	0.4
145.10089	1.9
147.07986	0.7
147.11697	1.8
149.09608	2.2
150.09865	0.4
151.11188	0.6
155.08595	0.6
157.10162	2.7
159.11705	0.6
163.11256	2.0
167.10696	1.4
171.11710	0.4
173.04544	0.6
173.11746	1.3
173.13237	0.5
175.11214	2.7
177.12775	0.4
181.12276	0.5
184.07353	100.0
185.07666	1.0
191.10722	0.7
193.12270	5.6
195.83232	0.4
199.13338	0.8
209.11728	1.5
211.13315	5.0
212.13698	0.4
217.15817	0.5
219.13809	0.8
222.08902	0.9
227.12813	1.0
228.13187	0.6
229.14427	2.9
240.36470	0.4
241.07225	0.4
241.14413	0.5
243.15897	1.3
249.14958	0.4
255.15923	1.1
267.15918	12.4
268.16342	0.7
269.17258	0.9
275.20145	0.6
283.15417	1.7
285.16959	4.3
287.14926	4.4
293.17511	1.0
301.16531	2.3
302.16922	0.5
309.20599	0.5
349.23804	1.4
367.24747	0.6
383.21814	0.6
421.25858	1.0
435.27335	0.8
439.26965	2.7
447.27124	1.0
459.27686	0.6
461.29053	3.7
475.26941	1.4
477.28635	0.5
478.28918	0.8
479.26590	2.7
491.22989	0.5
493.27667	2.6
511.28970	3.7
657.04523	0.4
676.34735	7.8
726.36121	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.1
55.05511	0.5
56.05032	0.7
57.03445	0.3
57.07069	0.2
58.06361	0.2
58.06613	0.3
60.08167	5.6
67.05511	1.6
68.05846	0.2
69.03435	0.3
69.07054	0.4
71.07379	3.2
77.05771	0.1
79.05495	1.0
80.05797	0.2
81.03432	0.7
81.07047	1.1
83.04977	0.5
83.08602	0.2
85.02882	0.2
85.06521	0.1
86.09709	30.6
87.10047	0.4
91.05494	0.9
93.07057	1.0
94.07391	0.2
95.04957	0.2
95.08614	0.8
97.02915	0.3
97.06534	0.3
97.10173	0.3
98.98466	3.2
104.10753	2.1
105.07027	0.5
107.04970	0.3
107.08614	0.4
109.10146	0.7
110.10500	0.2
111.04469	0.2
117.07047	0.2
119.08610	0.3
121.10181	0.4
125.00011	21.4
125.09650	0.3
126.00371	0.2
131.08551	0.3
131.46320	0.1
133.10069	0.3
135.11694	0.4
136.23831	0.1
145.10162	0.3
147.11671	0.2
163.11163	0.2
169.33101	0.2
184.07347	100.0
185.07756	1.2
186.07828	0.4
209.11659	0.2
229.28664	0.2
248.17950	0.2
260.04727	0.2
291.19504	0.3
301.16620	0.2
394.48163	0.2
410.26297	0.2
496.33121	0.2
688.45526	4.9
689.45905	0.3
724.39233	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	724.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54244	1.3
53.03943	7.3
55.01875	3.5
55.05513	17.6
56.05848	1.6
57.03445	20.8
57.07079	1.6
61.02924	5.8
65.03934	1.6
65.12158	1.5
65.79446	1.4
67.05507	59.5
69.03433	4.7
69.07071	18.4
70.97736	3.4
71.04975	3.9
71.08623	1.9
79.05497	48.1
81.03419	89.1
81.07057	56.4
83.04980	6.6
83.08614	22.4
83.09058	2.0
85.02898	5.6
85.06532	2.5
86.09692	3.5
91.05484	36.0
91.06024	2.8
93.07045	48.3
95.04975	28.2
95.08611	43.2
96.27126	1.4
97.02885	6.4
97.06515	4.1
97.10170	5.5
99.08083	2.5
105.04523	1.8
105.07034	31.4
107.04945	9.4
107.08605	25.7
109.06532	4.1
109.10155	17.7
111.04477	1.5
111.08085	6.8
115.05463	2.3
117.07025	6.6
119.08585	23.7
121.06502	4.3
121.10151	24.1
123.04465	3.2
123.08086	4.4
123.11713	6.6
125.00009	3.6
125.09652	4.2
129.07011	9.9
131.08562	17.6
133.06473	4.3
133.10127	10.9
135.08049	2.3
135.11685	12.2
137.09615	4.1
142.07825	3.1
145.10129	12.2
147.08083	4.7
147.11687	12.1
149.09608	3.2
149.13254	6.5
151.11174	2.0
152.90102	1.4
157.10132	11.1
159.11728	7.0
160.11238	11.0
161.13263	5.3
163.11197	3.7
163.14799	2.0
165.12828	2.5
166.79649	1.4
169.10222	1.7
171.11647	2.5
173.09676	1.6
173.13199	7.4
175.11197	8.8
175.14720	2.4
177.16364	1.6
179.14261	2.4
184.07423	6.9
185.07635	3.1
185.13161	1.7
187.14851	3.0
189.11252	3.5
190.96631	1.6
193.12259	23.7
201.16505	1.7
211.13261	3.4
227.12793	6.9
235.13307	3.6
243.21049	5.4
258.08838	12.3
259.13345	2.1
261.22110	18.0
267.15921	100.0
273.14984	2.0
279.23373	2.8
301.14346	2.5
301.25336	5.7
309.16830	2.0
317.24619	3.9
335.25812	95.3
336.26266	2.4
435.32397	2.9
453.33603	4.4
471.34470	2.9
527.37341	45.0
528.36395	2.0
545.38251	18.3
569.38293	5.3
612.46851	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	724.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.3
55.05507	0.7
57.03438	0.3
57.07071	0.4
60.08177	0.3
67.05508	2.1
68.05835	0.3
69.07064	0.5
69.82245	0.6
69.82661	0.6
71.08615	0.5
79.05507	0.7
79.81607	0.2
81.03400	0.3
81.07056	1.3
81.16199	0.2
83.08618	0.5
86.09724	1.2
91.05482	1.1
93.07045	1.0
95.08604	0.8
97.06520	0.3
97.08531	0.2
98.98475	3.6
105.07040	0.7
107.08585	0.9
109.10141	0.8
113.00005	0.4
113.91743	0.2
117.06992	0.4
117.71685	0.2
118.06537	1.3
119.07306	0.6
119.08598	0.6
121.10095	0.2
125.00011	12.3
130.06541	0.3
130.08694	0.4
131.07301	0.2
131.08592	0.3
132.08057	0.2
133.10185	0.4
134.09657	12.3
144.08084	7.0
145.08911	3.5
145.10033	0.4
147.11682	0.2
157.10100	0.3
160.11224	86.8
161.11551	0.9
178.12268	4.3
184.07358	3.5
185.07690	0.8
186.07770	0.4
258.08920	100.0
259.09235	1.5
277.21658	0.3
278.21875	0.3
328.05429	0.3
466.36292	0.4
466.93958	0.3
595.47382	0.5
612.46722	0.8
704.98767	0.3
724.45032	7.3
725.44415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01849	3.2
55.05519	12.7
57.03440	10.7
65.03927	1.8
67.05507	16.3
69.03421	3.6
69.07059	3.9
69.82443	1.2
71.04980	3.6
79.05501	21.8
81.03423	82.3
81.07060	18.8
83.04991	10.7
83.08627	19.6
85.02924	9.7
85.06566	1.4
91.05489	23.3
93.07049	13.4
95.04978	27.2
95.08606	7.0
97.02897	3.5
97.06532	3.2
97.10157	5.5
105.07049	18.0
107.04976	8.0
107.08600	8.1
109.06508	4.0
109.10142	3.9
111.04418	2.7
111.08089	8.6
113.06013	1.8
117.07015	3.5
119.08594	17.0
121.06512	2.4
121.10174	9.0
123.08068	2.3
125.09650	3.6
129.07008	11.6
131.08577	10.5
133.06517	3.0
133.10135	7.5
135.11646	1.4
137.09619	2.9
142.07764	2.3
145.06502	5.6
145.10126	3.3
147.08080	4.8
147.11674	8.3
149.09628	6.5
157.10136	13.5
159.08064	1.6
163.11192	1.6
165.12770	2.7
175.11188	11.3
177.91551	1.4
193.12260	30.4
209.46976	1.4
211.13300	18.2
227.12663	1.5
229.07500	1.4
229.14336	2.3
249.14908	2.0
255.13889	1.8
267.15939	100.0
268.16159	2.0
273.14767	3.6
285.17026	14.0
349.21570	2.2
357.74045	1.3
367.22668	11.0
385.23669	9.7
403.24734	2.7
433.25989	15.4
441.26260	6.7
459.27457	73.2
460.27847	1.7
477.28494	44.1
478.28845	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	724.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79599	1.1
53.03955	2.3
55.01874	2.7
55.05513	14.8
57.03446	5.5
57.07078	2.5
57.63104	1.2
59.04994	2.8
61.02917	3.4
65.03944	2.1
67.05511	71.7
68.05834	1.2
69.03435	5.3
69.07072	9.7
69.86062	5.7
70.56787	1.0
71.05000	50.6
73.02927	2.1
79.05502	25.4
81.03418	6.2
81.07063	100.0
82.07414	1.7
83.04987	7.6
83.08635	7.7
83.17139	1.2
85.02908	3.8
85.06554	11.2
86.09715	2.0
87.04475	1.6
91.05489	37.3
92.05819	1.7
93.07050	26.0
95.04969	5.0
95.08613	14.3
97.02884	2.8
97.06535	9.7
97.10184	3.2
99.04503	1.3
99.08099	1.3
102.62733	1.2
103.83092	1.0
105.07035	20.0
106.07402	1.7
107.04975	2.0
107.08601	19.3
109.02911	1.4
109.06515	3.0
109.10166	12.4
111.08087	3.7
117.07014	6.5
119.08578	3.9
121.06498	1.5
121.10155	8.6
123.08032	1.3
123.11718	21.6
124.99950	1.5
125.09634	2.0
127.03867	1.6
129.06963	1.2
131.08609	8.0
133.10139	26.7
135.11697	5.7
136.74017	1.0
143.08597	1.0
145.10103	2.6
147.11664	1.3
149.13269	7.4
151.11192	14.2
155.11005	1.2
157.10161	1.7
159.11731	7.6
169.12329	1.8
171.11601	1.1
177.12794	4.6
183.13831	8.3
184.07350	6.6
187.13329	4.0
193.12291	2.0
195.13808	3.0
201.14900	1.6
211.13248	1.2
225.14856	2.1
227.16518	1.2
229.14403	1.4
243.16087	1.4
255.16074	1.4
257.17413	1.4
267.15784	1.0
269.17462	4.3
270.17899	1.4
275.20233	1.9
283.19016	1.3
285.16983	1.7
301.20129	17.4
333.60284	1.1
419.28043	1.9
424.89716	1.1
425.29340	6.0
437.28925	5.8
451.30688	8.2
463.30652	8.3
469.31628	68.7
470.31964	2.5
471.21619	1.1
483.33057	10.3
495.33224	46.1
527.35883	52.6
528.36243	2.6
543.35999	1.2
544.36981	2.3
562.37250	1.4
581.23871	1.3
581.33582	1.2
607.33636	1.1
614.15094	1.0
639.37183	1.8
724.39929	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	724.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01873	17.3
55.05513	34.1
57.03158	1.2
57.03440	23.8
57.07059	4.8
59.04982	2.6
61.02925	6.3
65.03953	1.4
67.05508	45.8
68.40630	1.1
69.03426	6.0
69.07073	11.1
71.01350	2.7
71.04993	6.5
73.02917	8.3
79.05495	38.4
80.05857	1.1
81.03418	32.1
81.07059	33.8
82.04201	6.2
83.04975	20.0
83.08621	18.5
85.02914	9.6
85.06538	3.4
86.09703	2.9
91.03928	1.9
91.05484	31.9
93.06480	2.0
93.07043	30.5
94.04197	1.4
94.07837	2.0
95.04973	22.7
95.08173	1.2
95.08622	13.1
97.02897	7.9
97.06530	9.0
97.10174	20.4
98.07316	6.5
99.04488	1.7
99.08079	2.2
104.27670	1.3
105.07034	16.3
107.04965	11.5
107.07975	1.8
107.08607	20.6
109.06542	7.0
109.10162	13.1
110.07278	1.9
111.04442	3.6
111.08115	6.3
113.05984	2.2
115.05448	3.1
116.04720	17.3
117.07014	5.0
119.08571	14.8
120.09396	1.7
121.06490	2.5
121.10108	8.1
123.08091	7.9
123.11765	1.6
124.99970	1.6
125.09631	27.9
127.03945	1.9
127.11190	1.8
129.05486	47.1
129.06912	6.0
131.08592	10.1
133.06511	2.1
133.10143	11.7
135.08040	5.4
135.11678	11.3
136.08766	2.3
137.09593	3.6
142.07745	1.3
143.07050	10.4
143.10626	1.8
145.10139	10.1
147.08035	3.3
147.11690	7.9
149.09622	4.6
151.11191	2.2
153.09088	2.7
153.12746	3.3
155.08565	1.7
157.06491	1.3
157.08592	23.1
157.10095	7.9
158.05721	1.8
163.11165	11.6
164.11942	1.4
165.12723	1.9
171.06439	1.8
171.10196	9.8
173.09662	2.9
173.11758	5.1
175.11189	5.9
181.12242	3.4
184.07332	9.9
185.11722	3.8
189.11229	11.0
191.10660	5.7
192.11324	2.2
193.12265	10.0
199.13274	11.1
200.14043	3.3
209.11713	12.0
210.12527	1.6
211.13275	4.3
217.14418	1.4
227.12775	22.2
229.14394	7.2
235.75696	1.3
247.13306	1.5
249.14990	2.0
255.15894	3.9
265.14401	1.9
267.15942	19.8
268.16400	2.3
283.15445	10.2
285.16925	5.2
301.16461	100.0
302.16907	2.2
355.17535	3.0
385.23785	2.8
406.66022	1.3
409.25546	1.3
425.25504	2.4
435.02258	1.5
443.26550	2.0
451.26587	1.7
455.26517	6.4
459.27451	10.8
460.28061	2.0
475.26700	2.9
477.28452	16.1
478.29257	1.5
493.27747	7.0
495.29172	3.2
509.27634	2.0
510.27972	2.6
527.28491	50.8
528.28046	2.8
682.25122	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.6
55.01859	4.2
55.05511	27.6
57.03438	11.2
57.07065	3.7
59.04982	2.9
60.08161	2.4
65.03934	4.9
66.65916	2.1
67.05506	86.6
68.06161	2.2
69.03430	12.6
69.07061	19.6
69.72429	2.2
70.63862	7.6
71.04996	23.5
79.05497	44.2
81.03421	22.8
81.07058	100.0
81.07532	5.3
82.07410	3.3
83.04984	22.4
83.08616	10.2
85.06546	9.4
86.09694	6.7
91.05487	44.8
93.07047	46.4
95.04954	8.5
95.08607	39.5
97.02889	4.8
97.06530	8.3
97.10176	5.1
99.04469	2.7
105.07034	29.9
107.08595	25.3
109.02885	5.5
109.06509	2.9
109.10164	22.2
111.04480	4.5
111.08100	4.3
113.38603	2.5
117.07023	9.6
119.08572	15.5
121.06489	5.2
121.10143	19.3
123.11719	14.1
125.00027	5.2
127.03906	4.6
129.05515	10.8
129.07033	7.4
131.08553	16.5
133.10130	23.8
135.08014	3.1
135.11702	10.1
143.08569	5.9
145.10123	7.8
147.08009	2.6
147.11734	10.7
149.09613	2.9
149.13284	9.9
151.11218	6.5
157.10135	5.6
157.85611	2.1
158.63727	1.9
159.11708	7.1
161.09688	2.5
161.13252	3.0
163.11264	2.3
163.45781	2.4
168.71806	2.3
169.10228	3.8
171.11765	4.4
173.04466	4.6
173.09824	2.3
173.13194	4.2
175.14908	2.7
177.12798	5.4
184.07330	35.2
185.07602	3.1
185.13286	2.2
187.13321	7.7
187.14841	3.1
193.12195	3.8
195.13831	6.0
198.92674	2.5
201.14850	2.7
225.14865	5.5
241.17957	4.2
241.71640	2.1
243.15891	4.6
243.21056	2.3
257.17542	4.1
261.22113	3.8
267.16122	2.4
269.17545	12.1
335.25742	10.3
369.24194	5.2
387.25372	3.3
443.28171	3.6
445.24329	4.5
503.37259	25.8
505.38855	20.1
517.38953	2.9
529.38892	9.0
544.99011	3.2
561.41791	18.0
611.46320	6.6
655.42102	3.1
673.42529	10.1
691.44330	3.3
705.45209	5.0
723.45667	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	723.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.2
55.01870	2.7
55.05516	14.3
57.03433	1.7
57.07076	3.6
59.05011	1.5
62.44030	1.5
65.03944	2.2
67.05511	45.4
69.07066	14.8
69.44917	8.9
71.08634	18.6
72.63573	1.7
73.89851	1.5
74.09720	1.9
79.05499	51.4
81.03413	4.8
81.07062	41.2
83.04995	4.8
83.08629	7.5
91.05486	30.4
93.07049	54.7
95.04951	7.8
95.08612	26.5
97.06541	8.6
97.10175	3.8
99.08102	13.2
100.75220	1.6
105.04549	1.8
105.07033	21.5
107.04961	5.5
107.08601	26.3
109.06537	3.2
109.10166	7.6
111.08087	2.5
113.00026	10.5
117.07022	9.1
119.08600	14.3
121.10144	24.0
123.11748	2.2
124.99974	1.8
131.08597	10.4
133.10141	10.3
135.08061	2.5
135.11679	17.6
143.08566	1.8
145.10158	5.9
147.11711	3.7
149.13275	6.8
151.11209	6.5
153.12746	1.7
159.11717	4.4
161.13280	9.2
163.11189	3.6
163.14883	3.0
163.59940	1.8
169.02650	2.0
171.11749	2.2
173.13332	1.9
175.14931	2.1
177.12727	2.7
179.14331	39.9
183.62088	1.7
184.07393	3.2
187.14900	1.9
235.16811	1.8
243.21173	3.9
261.22250	4.7
267.35767	1.7
275.20218	3.2
277.21652	35.9
295.22656	2.4
317.24884	8.3
351.25308	16.1
426.78293	1.7
431.31497	1.8
459.28815	1.7
611.46765	100.0
612.47449	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53337	0.6
53.03934	2.8
55.01860	2.1
55.05517	10.8
56.05022	0.9
57.03442	5.0
57.07058	1.4
60.08168	6.4
63.21307	0.8
65.03936	1.6
67.05507	32.1
67.73518	0.7
68.05838	0.7
69.03430	5.7
69.07069	6.2
69.32162	5.0
71.05001	6.3
71.07391	4.2
73.02908	1.5
79.05074	1.3
79.05499	17.4
80.06257	0.7
81.03425	11.6
81.07061	44.5
83.04547	1.2
83.04984	10.4
83.08626	4.4
85.02901	2.9
85.06537	2.7
86.09711	32.4
87.10032	4.8
91.04977	1.2
91.05489	16.4
93.07053	16.4
95.04983	4.2
95.08062	1.4
95.08609	15.2
97.02883	2.9
97.06529	3.0
97.10173	2.7
98.98473	4.1
99.04446	1.6
99.08089	0.9
104.10729	1.9
105.07036	10.5
107.04935	2.1
107.08598	11.2
109.02893	1.4
109.06533	2.1
109.10158	9.6
111.04422	1.8
117.07037	3.5
119.08597	5.5
121.06476	1.3
121.10162	7.1
123.04449	0.7
123.08074	1.4
123.11719	5.1
125.00013	22.4
126.00340	1.3
127.03884	1.3
129.05469	4.0
129.07011	1.8
131.08597	6.2
133.10143	10.2
135.08044	1.6
135.11696	5.5
137.09612	0.8
141.06938	1.0
143.08597	2.1
145.10173	4.2
147.11745	3.7
149.09708	1.4
149.13289	3.6
151.11182	2.4
153.12790	1.2
157.10127	1.8
159.11642	3.9
159.20697	0.7
161.13353	1.6
163.11206	0.9
165.12820	0.9
169.10138	0.8
171.11688	1.0
173.04424	2.9
173.13289	1.5
175.11159	1.2
175.14919	0.9
177.12761	1.8
177.87177	0.8
183.11751	1.1
184.07355	100.0
185.07703	16.6
185.13332	1.2
187.13300	2.8
193.12219	1.7
195.13817	1.6
201.14888	1.2
202.52180	0.9
225.14807	1.8
227.12793	1.0
229.14330	1.4
243.15993	1.2
261.22122	2.3
267.15945	2.1
269.17538	3.2
275.20197	1.5
277.21674	0.9
301.20178	1.1
329.63422	0.8
335.25781	11.0
339.18256	0.9
369.23993	0.9
387.25317	0.9
409.26251	0.8
445.24426	1.9
461.29105	1.0
503.37350	16.2
505.38593	5.9
517.39178	1.2
529.38513	3.8
561.41547	10.1
568.50146	0.8
629.41071	1.0
637.25018	1.0
673.43018	1.6
691.43561	1.3
705.45593	3.2
723.36041	0.7
723.46442	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	723.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03595	1.0
53.03943	4.6
55.01880	3.0
55.05513	13.7
57.03440	2.9
57.07076	3.6
65.03955	2.3
67.05508	45.2
68.81956	1.0
69.07069	12.3
70.81923	1.0
70.82262	2.7
71.05001	1.5
71.08640	17.2
79.05498	48.6
80.05807	1.3
81.03419	4.7
81.07063	43.4
83.04993	3.7
83.08633	7.5
85.06551	3.0
86.09705	3.4
91.05485	30.5
91.70549	1.0
93.07047	51.5
95.04961	7.3
95.08611	30.8
95.09070	0.8
97.06513	5.5
97.10164	3.1
98.98445	1.4
99.08109	11.0
105.04515	2.3
105.07030	18.9
107.04982	5.6
107.08597	28.0
109.06520	3.1
109.10165	11.1
111.08067	1.8
113.00011	8.9
113.09624	2.6
117.07045	6.9
119.08608	15.8
121.06536	1.9
121.10135	16.0
123.08109	1.6
123.11689	1.3
124.99999	3.5
125.09661	2.5
127.11221	1.0
129.07005	3.8
131.08568	7.3
133.06627	1.1
133.10120	11.7
135.08069	2.1
135.11711	15.3
137.09663	1.8
137.13289	1.4
143.08578	3.5
145.10153	6.5
147.11703	7.4
149.09625	2.1
149.13272	8.1
151.11183	7.9
153.12701	1.6
157.10184	1.9
159.11711	4.4
161.13268	8.0
163.11189	4.4
163.14905	1.9
165.12714	1.7
169.02654	4.1
171.11694	2.3
173.13303	2.8
175.14890	3.6
177.12819	1.6
179.14326	33.8
179.15846	1.9
184.07359	9.8
185.07663	2.1
185.13272	2.2
187.14728	1.6
189.12834	1.5
189.52969	1.1
206.59079	1.1
207.51537	1.1
221.15479	1.8
235.16821	1.8
241.19595	1.6
243.21106	4.2
257.19156	1.3
259.20602	2.6
261.22226	3.6
262.25443	1.8
265.62527	1.2
267.23215	1.1
275.20038	6.2
277.21661	33.1
295.22668	4.0
317.24722	7.1
333.24258	1.4
335.25702	2.1
351.25314	10.9
555.44226	1.2
611.46716	100.0
612.46729	5.0
712.94489	1.4
723.45813	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	722.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.1
53.17200	0.1
55.01866	0.2
55.05497	0.3
56.05035	0.6
57.03439	0.1
57.07066	0.3
58.06591	1.7
58.06874	0.1
59.07371	1.0
60.08165	5.6
65.21922	0.1
67.05515	0.5
69.07063	0.1
69.35078	0.7
70.06594	0.1
71.07375	3.1
71.08625	0.1
71.59082	0.1
79.05492	0.5
80.97421	0.1
81.03404	0.2
81.07046	0.4
82.07389	0.1
83.08617	0.1
86.09708	28.6
87.10023	0.2
87.94633	0.1
91.05505	0.4
93.07018	0.5
95.08611	0.3
97.10155	0.2
98.20814	0.2
98.98466	2.7
104.10744	2.3
105.07020	0.3
109.10154	0.2
111.08047	0.1
117.06989	0.1
125.00008	18.4
133.10068	0.1
145.10153	0.1
147.09747	0.1
150.53365	0.1
163.01631	0.2
163.11200	0.1
167.38596	0.1
184.07344	100.0
185.07648	0.7
222.08873	1.1
222.10582	0.1
224.10466	0.2
238.08427	0.2
240.09961	0.4
281.17676	0.1
282.11151	0.1
313.27481	0.1
335.25674	0.2
341.12332	0.1
354.13214	0.2
373.11133	0.1
478.33267	0.2
479.40128	0.1
550.34668	0.2
610.46655	0.1
711.45306	0.1
722.46069	3.9
723.46198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.6
58.06363	0.2
58.06626	0.5
60.08167	6.0
62.20075	0.2
67.05509	0.5
69.07059	0.2
71.07378	3.5
79.05484	0.2
81.07059	0.3
86.09709	29.3
87.10020	0.3
91.05479	0.2
95.08592	0.2
98.98471	2.9
102.16953	0.1
104.10751	2.4
123.11755	0.3
125.00011	20.1
134.26018	0.1
147.86028	0.2
184.07347	100.0
185.07724	0.3
306.56702	0.2
313.27386	0.2
333.65497	0.2
481.38657	0.3
667.55487	0.2
690.46466	0.5
722.49713	4.7
723.41937	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
54.18301	0.6
55.01870	1.3
55.05513	6.7
56.05026	0.9
57.03431	3.3
57.07083	18.1
59.04992	1.4
60.08166	6.8
61.02917	1.5
64.73028	0.7
65.03960	1.0
67.05509	45.6
68.05825	0.8
69.03432	0.9
69.07072	7.6
69.79015	3.4
71.05003	10.5
71.07387	3.7
71.08635	16.5
79.05496	7.4
81.03407	2.5
81.06599	1.1
81.07067	18.7
82.07396	0.8
83.04996	1.6
83.08627	8.1
85.02895	2.2
85.06522	1.2
85.10194	9.0
86.09713	31.4
86.64741	0.9
91.05492	7.4
93.07048	8.7
94.07352	0.8
95.04961	1.4
95.08616	18.2
97.02895	1.0
97.06527	2.2
97.10165	3.3
98.98459	3.3
99.08111	1.1
104.10750	1.8
105.07040	3.5
107.04951	0.9
107.08594	5.8
109.06519	0.7
109.10165	38.0
111.08083	1.3
111.11666	1.1
113.00010	1.1
117.06998	1.2
119.08610	5.5
121.10159	2.2
123.11700	2.0
125.00012	21.1
131.08604	0.7
133.10133	1.5
135.11702	6.3
137.05992	0.9
137.09630	4.9
145.10130	2.7
151.11116	0.8
155.10660	2.2
163.11153	2.1
173.11815	4.3
174.86264	0.7
175.11285	0.7
179.14314	0.9
181.12201	0.7
184.07353	100.0
185.07735	0.8
209.11761	0.9
213.26210	0.9
238.78944	0.8
239.23660	0.9
243.15796	1.0
255.15993	2.6
287.18536	10.8
295.86090	0.7
313.27411	11.3
378.26099	0.7
395.73538	0.7
467.37372	56.5
468.37695	1.6
481.38782	2.0
493.38968	2.7
525.41541	46.2
526.41656	1.8
529.38574	1.0
542.23383	0.8
545.25800	1.0
567.15552	0.8
605.27057	1.2
610.45618	5.5
625.28546	1.0
676.45978	1.4
690.47089	1.0
722.45209	4.1
725.44836	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52638	0.9
53.03935	3.2
55.01873	5.7
55.05512	12.9
57.03441	11.0
59.04997	1.0
61.02935	1.1
65.03928	1.3
67.05510	15.1
69.03431	2.2
69.07058	3.4
71.01348	1.0
71.04992	2.0
73.02926	0.9
76.27003	0.8
79.05068	1.6
79.05495	18.8
81.03422	46.0
81.07059	14.8
83.01350	4.4
83.04996	9.7
83.08627	13.9
85.02891	3.7
86.10794	0.9
91.05484	15.7
93.07048	17.9
95.04980	14.7
95.08607	7.4
96.55322	0.7
97.02880	2.4
97.06527	3.1
97.10160	8.2
97.85720	0.8
98.21520	2.1
99.04462	1.6
103.48688	0.8
105.07028	11.6
107.04963	8.2
107.08607	8.8
109.02879	1.5
109.06494	5.0
109.10171	4.4
111.04427	2.5
111.08061	4.0
113.06007	0.8
117.07015	6.3
119.08593	9.9
121.06518	4.3
121.10165	7.5
123.04420	1.9
123.08076	6.1
125.05932	0.9
125.09633	5.4
128.06200	1.4
129.06989	6.4
131.04916	1.3
131.08574	6.7
133.06487	1.2
133.10115	3.3
135.08057	2.3
135.11687	5.9
142.07724	1.2
143.08546	2.2
145.06462	2.1
145.10143	8.7
147.04391	1.7
147.08061	4.1
147.11703	4.3
149.09602	2.8
153.09122	1.4
153.12749	2.4
155.08524	1.5
157.10092	4.2
159.08018	1.1
159.11736	0.9
161.05981	3.2
161.09612	1.0
163.07500	1.1
163.11186	11.2
165.12733	1.3
169.10194	1.0
171.08063	1.5
172.06136	0.9
173.09630	2.9
175.11180	4.5
181.12254	1.9
185.13171	1.5
189.09064	1.4
189.11295	1.7
191.10635	2.0
193.12276	11.0
197.09583	0.8
203.14409	0.8
205.12270	1.9
209.09871	1.1
209.11726	2.8
211.11319	1.3
211.13258	2.5
227.12756	3.2
231.13885	1.1
235.11087	1.0
243.13820	1.8
265.14310	1.1
267.15955	26.4
271.13177	1.0
273.14911	2.1
283.15396	23.7
289.14325	2.7
327.07309	0.9
355.22574	2.1
365.21075	3.5
383.22131	17.4
401.23267	9.1
419.24234	2.7
431.24271	1.4
439.24780	2.0
457.25876	28.8
458.26718	1.8
461.28625	1.4
475.26956	100.0
476.27179	5.3
493.27927	12.4
517.28052	1.4
525.30493	1.6
595.66644	0.9
643.12201	0.9
651.44446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01865	3.2
55.05307	0.8
55.05514	8.7
57.03444	9.2
58.69198	0.7
59.05003	0.9
60.98749	0.7
65.03956	1.5
65.61171	0.8
67.05508	17.4
69.03418	2.9
69.07079	3.9
69.79019	0.8
70.91177	1.4
71.04990	2.1
73.49875	0.8
76.45921	0.8
77.03830	0.8
79.05500	18.1
81.03423	46.2
81.06604	0.8
81.07063	14.3
82.03730	0.8
83.04998	6.4
83.08626	14.2
85.02892	2.6
85.06557	0.9
86.09712	0.9
87.25455	0.9
91.05492	13.2
93.07053	22.6
95.04975	18.2
95.08614	19.0
97.02886	3.1
97.06529	3.5
97.10157	2.6
99.04450	3.2
105.07031	11.1
107.04971	9.5
107.08600	17.5
109.06497	3.1
109.10146	3.2
111.04450	3.0
111.08076	4.5
115.05460	1.1
117.07024	6.4
119.08595	12.3
121.06530	5.0
121.10157	10.6
123.08067	1.0
125.05997	1.8
125.09604	1.4
127.07568	1.2
129.07037	4.4
130.07799	1.2
131.08549	5.4
133.06511	1.7
133.10130	4.2
135.08051	2.1
135.11699	30.6
137.09584	0.8
139.07558	1.2
142.07784	1.2
143.08528	1.0
145.10120	18.2
146.41679	0.7
147.08029	2.1
147.11667	6.1
149.09616	2.7
153.12772	1.8
155.08522	1.0
157.10167	5.5
163.11189	41.5
164.11494	1.6
165.12744	1.7
173.09639	1.6
175.11197	6.9
179.82175	0.8
181.12230	8.5
191.10663	1.3
193.12265	16.5
209.11803	1.5
211.13306	4.4
223.13269	1.2
227.12790	43.9
241.14334	0.8
249.14902	1.3
267.15933	94.9
268.16159	1.6
283.15417	62.9
284.15802	1.4
285.16940	2.6
292.44516	0.8
300.36676	0.9
305.63693	0.8
315.17932	2.2
315.30634	0.8
381.14597	0.9
383.22049	1.6
401.23135	1.1
457.25717	2.5
475.26953	100.0
476.27032	5.0
493.28027	5.7
517.28088	1.1
525.30768	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	721.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79208	1.9
53.03947	13.2
55.01870	10.2
55.05515	32.7
56.83692	2.2
57.03450	10.7
57.07071	4.2
58.83757	1.8
59.04989	2.3
61.02918	3.2
65.03927	4.8
67.05508	84.7
69.03437	19.2
69.07066	31.1
70.11274	7.6
71.01336	2.3
71.05000	22.3
71.08620	4.4
73.02915	2.3
79.05499	52.5
81.03425	38.9
81.07060	100.0
83.04979	13.3
83.08626	20.2
84.65968	1.7
85.02909	11.4
85.06539	8.6
89.21431	1.7
91.05484	57.6
93.06482	3.4
93.07050	55.3
95.04966	15.3
95.08057	3.0
95.08610	36.4
97.02895	14.0
97.06538	16.3
97.10184	10.6
99.04472	7.5
99.08100	4.7
103.05461	2.6
105.04473	2.1
105.07040	47.1
105.84218	2.0
107.04981	9.6
107.08594	34.5
109.02915	9.3
109.06504	7.1
109.10163	24.2
111.04428	7.1
111.08089	7.3
115.05445	4.6
117.07020	21.9
119.08588	32.9
121.06511	7.1
121.10136	22.8
123.04360	3.9
123.08043	3.9
123.11691	7.8
125.09641	3.1
127.03869	10.8
128.06221	4.1
129.05496	3.3
129.06996	17.7
131.08577	29.3
133.06543	4.5
133.10135	30.5
135.08061	7.2
135.11671	13.2
137.09601	6.8
137.13240	2.4
141.06979	4.5
142.07751	2.6
143.08562	14.9
145.06470	4.4
145.10114	19.7
147.08025	5.7
147.11708	22.9
149.09616	8.4
149.13242	12.3
151.03484	1.9
151.11159	8.3
153.12679	2.4
155.08546	7.0
157.10117	14.6
159.08076	5.2
159.11688	19.0
161.09644	4.7
161.13246	10.2
163.11171	4.0
165.12871	2.9
167.08611	4.4
168.09270	1.9
169.10132	7.7
171.08064	3.5
171.11681	12.3
173.04468	13.3
173.09628	4.0
173.13286	10.4
175.11153	5.5
175.14832	4.1
177.12712	5.9
179.10661	1.9
179.14215	2.9
181.10129	3.4
183.11664	6.8
184.07329	2.1
185.13261	9.0
187.13248	5.1
187.14865	5.4
189.11269	2.8
189.12749	2.2
191.10632	3.2
193.10258	2.7
193.12204	4.6
195.11717	5.6
195.13710	5.1
197.13254	6.1
211.13135	2.9
211.14990	3.3
213.14761	2.7
225.14708	3.6
227.12775	3.0
227.16197	3.3
229.14267	2.4
241.14255	2.1
241.19545	5.2
243.15866	4.6
243.21049	2.2
253.14323	4.4
255.13971	2.0
257.19183	2.5
259.20575	8.0
261.22086	2.5
265.62482	1.8
267.15933	2.7
267.73773	1.8
269.17487	6.9
271.20743	2.1
273.18484	6.9
275.20108	9.7
283.20352	3.0
291.19589	10.0
313.21631	3.7
333.24176	5.7
335.26007	2.8
339.23154	2.9
347.21829	1.9
349.23639	2.3
365.23120	3.7
369.23950	2.4
413.21619	4.5
423.27316	4.4
429.33951	2.2
435.32248	2.8
501.35425	13.4
503.37332	32.6
527.37427	21.7
533.37585	2.5
541.34894	9.5
559.36029	13.7
560.36359	2.4
653.40466	2.2
667.40576	2.3
671.40729	4.8
685.40521	2.5
689.42279	8.7
703.40912	8.9
721.42456	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	721.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.3
55.05518	18.4
57.03449	10.0
57.07072	2.9
60.08155	6.7
60.32991	1.8
65.03942	3.8
67.05511	71.9
69.07069	17.1
70.19202	7.2
71.04974	2.5
71.07374	3.4
71.08626	2.3
73.06548	3.0
77.03929	3.3
79.05495	72.9
81.03412	9.2
81.07060	59.8
83.04972	9.5
83.08617	10.0
84.08137	3.2
85.02913	2.7
85.06541	2.7
85.07675	17.8
86.09713	22.5
91.05488	54.5
93.06483	4.4
93.07045	64.5
95.04964	14.6
95.08611	38.9
97.06536	3.8
97.10204	2.8
98.98529	2.3
105.07037	33.9
107.04954	5.7
107.08602	26.1
109.06488	5.9
109.10170	12.4
115.05422	2.7
117.07018	9.0
119.08588	21.8
121.06541	2.4
121.10173	15.3
123.08067	7.2
123.11687	4.7
125.00000	18.2
128.06203	2.4
129.07033	12.3
131.08591	9.5
133.06564	2.6
133.10117	13.0
134.40034	2.1
135.11705	5.2
143.08554	7.4
145.10098	8.0
147.11700	27.1
149.13264	4.9
159.11667	5.6
161.13274	8.6
171.11700	15.0
173.13240	2.9
180.06261	1.9
184.07346	88.5
189.12709	7.1
207.13840	18.6
211.13365	3.8
261.22238	5.4
267.16144	2.1
275.20071	2.8
281.17490	38.1
285.16983	2.7
292.08414	2.1
314.27789	2.4
335.25809	56.0
405.16238	2.7
418.17053	3.6
432.18985	2.3
433.19577	3.4
434.20193	4.1
445.97308	2.2
447.21539	4.9
448.22168	8.3
449.22522	4.0
463.19846	2.6
475.21414	4.5
476.21661	14.6
477.21872	15.7
504.20935	3.3
524.40417	5.3
536.23352	5.7
537.24121	13.0
541.38934	94.7
542.38904	4.6
549.24304	3.3
563.25641	6.3
564.26440	5.1
565.26672	3.3
609.44781	3.6
622.26874	3.4
623.28210	32.8
624.28528	100.0
625.28430	2.9
722.49683	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	721.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.0
55.01873	3.8
55.05516	12.8
57.03444	5.3
57.07079	2.2
60.08172	5.0
65.03945	3.1
67.05508	33.5
68.73383	1.2
69.03435	7.9
69.07072	10.0
69.85620	3.3
69.86036	2.4
71.04996	4.1
71.07380	3.7
79.05495	26.8
81.03417	21.2
81.07063	38.4
83.01305	1.1
83.04990	9.7
83.08625	6.6
85.02919	4.6
85.06563	2.2
86.09712	32.9
87.10033	1.3
91.05485	26.1
93.07046	24.4
95.04970	7.5
95.08616	18.7
97.02888	4.7
97.06552	4.6
97.10163	2.6
98.98477	4.1
99.04473	2.3
99.08090	1.5
104.10770	1.9
105.06384	2.1
105.07037	20.5
107.04958	6.5
107.08608	16.4
109.02874	4.0
109.06521	4.6
109.10173	9.9
111.04444	3.3
111.08082	4.0
117.07021	7.7
119.08584	10.3
121.06528	4.6
121.10155	8.1
123.08069	3.0
123.11705	3.2
125.00015	19.8
125.09615	2.9
127.03927	4.9
129.05489	2.5
129.07007	4.8
131.08557	10.1
133.06497	4.8
133.10135	15.0
135.08080	4.6
135.11710	4.4
137.05968	1.2
137.09576	2.9
141.07011	1.9
143.08583	5.1
145.06532	2.0
145.10107	5.4
147.08037	3.2
147.11696	4.3
149.09648	4.4
149.13229	5.5
151.11215	7.4
155.08586	2.3
157.10159	3.6
159.08107	2.1
159.11710	4.7
161.09647	2.5
161.13269	1.4
163.11134	2.0
165.12770	1.7
169.10146	1.4
170.05588	1.1
171.11688	4.0
173.04517	2.2
173.09673	1.3
173.13313	2.4
175.11177	1.3
177.09074	1.2
177.12692	3.1
179.14268	1.4
183.11835	1.7
184.07356	100.0
185.07726	7.6
185.09305	1.5
185.13223	1.7
189.12799	1.7
193.12196	1.6
195.12189	1.0
195.13818	4.8
199.15034	1.1
201.12753	1.1
211.13165	1.5
213.14931	1.2
245.19119	4.4
245.57217	1.1
253.14305	7.2
261.12192	1.1
263.20056	2.2
267.15884	2.6
269.17435	5.5
273.18512	14.2
277.21664	1.4
283.74380	1.1
291.19522	16.2
309.20673	2.0
339.18265	1.8
347.22156	3.7
365.23383	8.2
413.21869	6.4
465.28555	1.7
467.31500	2.3
530.38977	1.7
541.35400	4.5
559.36292	14.8
591.32031	1.5
623.42651	1.8
685.39746	1.5
703.40167	9.4
705.97137	1.3
721.43781	5.9
722.45612	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	721.416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.0
55.01873	3.8
55.05516	12.8
57.03444	5.3
57.07079	2.2
60.08172	5.0
65.03945	3.1
67.05508	33.5
68.73383	1.2
69.03435	7.9
69.07072	10.0
69.85620	3.3
69.86036	2.4
71.04996	4.1
71.07380	3.7
79.05495	26.8
81.03417	21.2
81.07063	38.4
83.01305	1.1
83.04990	9.7
83.08625	6.6
85.02919	4.6
85.06563	2.2
86.09712	32.9
87.10033	1.3
91.05485	26.1
93.07046	24.4
95.04970	7.5
95.08616	18.7
97.02888	4.7
97.06552	4.6
97.10163	2.6
98.98477	4.1
99.04473	2.3
99.08090	1.5
104.10770	1.9
105.06384	2.1
105.07037	20.5
107.04958	6.5
107.08608	16.4
109.02874	4.0
109.06521	4.6
109.10173	9.9
111.04444	3.3
111.08082	4.0
117.07021	7.7
119.08584	10.3
121.06528	4.6
121.10155	8.1
123.08069	3.0
123.11705	3.2
125.00015	19.8
125.09615	2.9
127.03927	4.9
129.05489	2.5
129.07007	4.8
131.08557	10.1
133.06497	4.8
133.10135	15.0
135.08080	4.6
135.11710	4.4
137.05968	1.2
137.09576	2.9
141.07011	1.9
143.08583	5.1
145.06532	2.0
145.10107	5.4
147.08037	3.2
147.11696	4.3
149.09648	4.4
149.13229	5.5
151.11215	7.4
155.08586	2.3
157.10159	3.6
159.08107	2.1
159.11710	4.7
161.09647	2.5
161.13269	1.4
163.11134	2.0
165.12770	1.7
169.10146	1.4
170.05588	1.1
171.11688	4.0
173.04517	2.2
173.09673	1.3
173.13313	2.4
175.11177	1.3
177.09074	1.2
177.12692	3.1
179.14268	1.4
183.11835	1.7
184.07356	100.0
185.07726	7.6
185.09305	1.5
185.13223	1.7
189.12799	1.7
193.12196	1.6
195.12189	1.0
195.13818	4.8
199.15034	1.1
201.12753	1.1
211.13165	1.5
213.14931	1.2
245.19119	4.4
245.57217	1.1
253.14305	7.2
261.12192	1.1
263.20056	2.2
267.15884	2.6
269.17435	5.5
273.18512	14.2
277.21664	1.4
283.74380	1.1
291.19522	16.2
309.20673	2.0
339.18265	1.8
347.22156	3.7
365.23383	8.2
413.21869	6.4
465.28555	1.7
467.31500	2.3
530.38977	1.7
541.35400	4.5
559.36292	14.8
591.32031	1.5
623.42651	1.8
685.39746	1.5
703.40167	9.4
705.97137	1.3
721.43781	5.9
722.45612	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	721.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	15.6
55.01876	32.8
55.05517	34.0
57.03436	14.7
57.07078	3.3
61.02914	4.6
65.03925	5.5
67.05508	75.1
69.03432	26.6
69.07068	32.4
69.25553	15.1
69.25980	9.0
71.04982	12.1
73.02901	5.8
79.05497	64.3
81.03422	95.2
81.07064	74.2
83.04992	22.5
83.08631	23.6
85.02917	21.2
85.06545	4.4
86.09715	2.8
91.05487	74.8
93.07045	56.9
95.01328	5.6
95.04980	28.6
95.08623	40.6
97.02914	23.7
97.06535	48.5
97.10182	11.9
98.21510	6.0
99.04451	8.1
99.08127	4.7
103.05453	4.0
105.07037	81.1
107.04977	23.8
107.08608	35.6
109.02907	13.5
109.06528	12.2
109.10153	17.9
111.04447	10.2
111.08086	12.4
113.05994	3.3
115.05479	3.3
117.07000	24.0
119.08589	50.1
121.06520	8.7
121.10159	21.5
123.04481	4.6
123.08056	7.3
123.11682	6.3
125.09634	7.1
127.03908	12.2
129.07050	14.1
131.08572	33.4
133.06502	4.9
133.10133	42.9
135.08061	9.5
135.11708	11.2
137.09601	6.0
141.06978	6.9
142.07777	4.8
143.08559	12.2
145.06436	4.3
145.10133	27.2
147.08066	7.8
147.11707	24.8
149.09618	14.5
149.13261	5.9
155.08621	3.3
157.10153	18.9
159.08098	2.8
159.11734	17.5
161.09599	3.9
161.13231	6.9
163.11194	8.8
169.10075	5.0
171.11674	6.5
171.63548	2.9
173.04491	9.1
173.09703	4.5
173.13272	6.3
175.11220	11.8
177.12764	5.5
179.14331	9.9
181.12299	4.2
183.11674	5.2
187.11198	2.6
189.11151	4.1
189.12845	3.3
193.12251	35.4
211.13248	31.4
214.17986	2.5
227.12759	6.7
229.14342	5.6
229.19543	3.7
239.17883	4.7
249.14838	4.2
257.19012	12.4
267.15927	27.9
269.17319	3.3
273.18579	4.6
275.20084	100.0
285.16953	8.8
291.19519	6.8
293.21194	7.2
313.21704	3.4
349.23727	41.0
355.17554	4.5
411.20096	4.0
421.31512	3.2
429.21262	29.1
467.31543	3.4
541.35205	48.1
559.36157	30.9
703.40588	43.6
721.37738	61.2
754.84821	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	721.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	14.8
55.01868	10.6
55.05517	38.6
56.27537	2.5
57.03445	17.5
61.02923	2.9
65.03944	2.9
67.05507	70.5
67.39439	2.7
69.03448	20.4
69.07086	20.7
70.63971	5.8
70.64320	3.5
71.05001	14.3
73.02904	4.9
79.05499	54.8
81.03423	100.0
81.07059	85.1
82.07420	3.5
83.04993	25.3
83.08625	22.9
85.02913	24.1
85.03982	2.9
85.06517	6.2
86.09677	3.0
91.05490	64.9
92.56944	2.5
93.06479	4.1
93.07048	50.8
95.04964	30.2
95.08614	34.9
97.02896	18.3
97.06526	15.4
97.10168	16.3
99.04481	6.7
99.08077	7.8
105.04533	2.9
105.07044	55.4
107.04961	15.8
107.08602	30.0
109.02884	13.2
109.06525	15.2
109.10155	19.1
111.04444	11.4
111.08080	9.0
113.26441	2.8
115.05432	4.4
117.07007	20.7
117.23995	3.0
119.08593	42.8
120.03506	3.5
121.06499	9.6
121.10137	19.8
123.04413	6.3
123.08059	8.3
123.11704	5.5
125.09628	9.6
127.03912	10.1
127.07544	2.8
128.06226	4.5
129.06998	21.1
130.07855	3.3
131.08559	38.3
133.06490	5.9
133.10141	29.4
135.08064	11.3
135.11679	7.8
137.09618	8.2
141.06985	6.3
142.07765	5.4
143.08548	13.7
145.06467	6.1
145.10114	22.5
147.08049	6.4
147.11696	26.4
149.09613	10.2
149.13332	4.9
155.08545	8.2
157.10083	15.6
159.08113	3.8
159.11691	15.6
161.09612	4.0
161.13176	3.7
163.11163	10.6
165.12674	4.8
169.10100	4.3
171.08054	3.4
171.11696	8.7
173.04495	21.4
173.09625	4.3
173.13298	5.8
175.11143	12.7
177.12805	6.7
183.11682	5.7
184.07381	3.5
185.13280	6.5
187.11230	2.8
187.14876	3.9
189.11217	5.9
193.12263	20.8
195.11847	3.6
195.13815	3.9
197.13220	6.0
201.12729	3.1
205.12321	3.5
211.13272	28.1
215.14284	2.7
227.12770	13.0
229.14424	3.0
239.18056	3.3
247.17027	2.6
247.20610	4.2
254.07370	2.8
257.19009	6.0
267.15915	20.2
273.14880	3.3
273.18445	3.1
275.20074	39.6
285.16974	8.9
291.19623	3.7
293.21252	4.4
301.14188	3.0
309.16837	3.9
317.20950	3.2
349.23651	17.6
429.21109	4.4
435.27591	4.3
449.30325	5.9
461.29071	7.5
513.35193	3.2
531.36499	3.4
541.35309	34.5
542.35931	3.5
543.29108	2.9
559.36316	33.0
569.31128	3.1
623.33948	4.4
683.44482	3.9
685.40564	3.2
703.40045	7.6
721.41541	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	721.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	2.3
53.03954	14.3
55.01874	16.8
55.05515	44.8
57.03449	16.0
61.02908	3.3
65.03945	3.8
67.05511	71.2
69.03437	31.0
69.07072	31.0
69.90004	5.8
69.90388	4.1
71.04999	14.5
73.02917	2.8
73.74493	2.0
74.33623	2.3
79.05496	68.5
81.03422	100.0
81.07059	80.5
83.04985	27.8
83.08623	25.7
85.02899	23.2
85.06577	5.2
91.05483	71.3
91.06020	4.9
93.07046	57.7
95.04971	32.6
95.08615	38.5
97.02898	27.5
97.06544	22.2
97.10174	11.2
99.04464	9.6
99.08073	2.8
105.07034	66.8
107.04952	22.7
107.08601	37.6
107.90900	2.3
108.08950	2.4
109.02881	11.8
109.06522	15.1
109.10159	22.3
111.04436	15.0
111.08085	10.1
113.06029	3.2
115.05455	3.1
117.07024	21.2
119.04939	2.3
119.08591	50.6
121.06517	9.5
121.10163	24.6
123.04449	3.3
123.08083	9.6
123.11710	8.2
125.09635	8.9
127.03940	11.8
128.06242	5.5
129.05501	4.2
129.07016	16.9
130.07808	3.1
131.08569	34.2
133.06464	7.5
133.10147	31.1
135.08047	9.2
135.11690	10.9
137.09653	7.5
137.13283	2.5
141.07024	6.0
142.07764	3.5
143.08557	14.0
145.06540	5.5
145.10153	22.2
147.08055	6.9
147.11685	29.3
148.76471	2.2
149.06009	2.2
149.09648	17.7
149.13293	3.9
151.11189	5.2
155.08609	5.9
157.10156	19.4
159.08102	3.5
159.11711	13.5
161.09599	5.2
161.13287	6.8
163.11232	12.8
165.12762	7.1
169.10165	8.6
171.10355	2.7
171.11713	10.0
173.04480	13.8
173.09587	4.2
173.13258	6.9
175.11183	13.6
177.12747	3.4
181.10112	3.4
181.12184	3.3
183.11700	8.8
185.13239	3.1
187.11093	3.8
187.14827	2.5
189.11215	4.1
191.10728	4.3
193.12262	32.2
195.11711	3.5
197.13289	4.1
199.05934	2.3
199.11221	3.4
199.14908	3.6
201.16327	2.6
203.12616	2.5
205.12166	2.6
209.13353	4.6
211.13257	42.0
211.15016	4.5
213.12709	3.6
227.12668	11.3
229.14308	4.6
239.17963	3.5
247.20535	4.8
249.14825	3.0
257.19077	15.1
267.15964	19.8
273.18491	4.4
275.20074	63.4
285.17038	16.8
291.19775	2.3
293.21124	5.8
299.20203	3.5
301.21756	2.2
317.20926	2.4
349.23798	25.4
355.17822	3.2
383.22110	2.6
411.20023	2.8
419.24780	2.5
429.21198	8.8
451.03659	2.7
461.28827	2.9
523.34271	3.5
541.35297	29.9
559.36249	36.9
560.36652	2.8
577.36835	2.5
685.39612	4.5
703.40417	17.9
721.41589	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	13.6
53.75816	2.0
55.01876	17.5
55.05273	3.9
55.05516	54.4
57.03437	17.4
57.07061	2.5
60.08134	4.1
61.02901	2.3
65.03935	6.6
67.05511	96.9
69.03432	33.5
69.07076	38.2
71.04996	11.3
71.07382	2.9
73.02931	4.2
77.03930	2.8
79.05499	87.1
81.03428	66.2
81.03870	1.4
81.07064	100.0
83.04990	31.8
83.08620	26.9
85.02912	20.8
85.06516	5.7
86.08671	2.1
86.09718	25.8
87.04460	3.3
91.05486	55.3
93.06486	4.0
93.07050	64.0
95.04976	29.1
95.08620	45.9
97.02896	26.3
97.06538	16.2
97.10168	27.7
98.98458	3.3
99.04443	5.6
99.08089	4.6
103.05436	2.9
105.07040	54.6
106.07374	3.4
107.04968	20.1
107.08594	45.1
109.02901	17.8
109.06535	12.2
109.07198	2.4
109.10163	20.1
111.04422	13.5
111.08083	11.1
113.06059	3.2
115.05472	5.2
117.07027	28.8
119.04967	2.1
119.08601	39.4
121.06518	12.0
121.10156	27.6
123.04418	5.6
123.08099	14.6
123.11700	9.7
125.00017	18.7
125.09631	26.5
127.03925	13.1
128.06209	4.0
129.05472	7.4
129.07031	22.5
131.04932	4.6
131.08595	28.4
133.06474	8.0
133.10138	33.8
135.08060	13.6
135.11707	12.9
137.09605	8.3
141.06953	3.3
143.08553	14.4
145.06506	5.6
145.10109	23.3
147.08072	10.0
147.11703	17.2
149.06009	5.3
149.09639	7.7
149.13251	15.3
151.11174	7.1
153.09074	3.6
155.08551	5.6
156.09392	2.3
157.06517	3.1
157.10100	12.3
159.08020	8.2
159.11711	19.5
161.09662	14.3
161.13240	3.8
163.11177	7.4
165.09140	4.8
165.12776	4.5
167.08620	2.8
169.10136	7.3
171.10197	3.2
171.11697	8.0
173.04477	9.7
173.09727	4.6
173.11908	2.6
173.13281	6.2
175.11172	7.8
177.12712	6.5
181.10091	2.6
183.11691	6.5
184.07365	83.6
185.13235	6.2
187.11151	3.3
187.13329	3.7
189.09682	2.2
189.11220	12.5
189.12729	5.0
190.04327	2.3
191.10684	2.4
193.12225	8.8
195.11792	4.9
195.13815	9.3
197.13301	5.9
199.14838	4.0
201.12764	4.1
203.14337	3.5
205.12253	3.3
207.13579	2.8
209.13408	3.3
211.13274	9.0
213.12767	2.6
213.16341	3.3
223.13118	11.5
227.12772	21.3
233.15344	3.7
239.18523	2.2
245.19035	4.7
249.14838	3.7
253.14268	4.3
259.20496	2.6
267.15973	7.6
269.17566	17.1
273.18503	23.1
275.20074	6.5
285.17203	3.7
291.19568	83.2
292.19870	2.6
293.17532	3.7
297.22046	5.2
299.20139	3.1
313.28717	2.2
315.19989	2.3
315.23257	7.3
325.21689	2.9
339.18356	4.2
347.22302	6.4
349.23712	4.6
365.23264	24.0
371.22443	2.6
413.21777	12.3
421.24921	2.5
422.30322	2.5
431.28348	3.0
447.27780	4.3
449.30307	4.6
461.29330	3.7
466.38150	3.0
467.31476	6.2
485.32565	4.7
523.34174	5.7
539.30450	2.3
541.35181	31.6
559.36292	57.9
560.36578	3.0
593.71716	2.4
609.32153	11.1
633.68329	2.5
667.39252	3.5
685.39215	6.3
703.31128	2.5
703.40771	29.8
721.41418	11.4
722.45679	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	721.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01868	1.6
55.05503	2.6
57.03427	2.1
67.05508	7.8
69.03416	2.8
69.07057	3.3
70.06564	1.8
71.04981	1.3
71.11972	1.3
71.12316	2.4
79.05503	5.2
81.03420	6.7
81.07070	7.0
81.43303	1.0
83.04959	2.4
83.08636	2.1
84.08112	1.5
84.38668	1.2
85.02903	2.7
91.05499	6.3
93.07056	6.4
95.04954	3.6
95.08603	3.9
96.08121	3.4
97.02866	1.9
97.06515	1.8
97.10133	1.4
105.07028	4.6
107.04966	3.0
107.08578	3.1
108.08111	1.9
109.10158	2.7
110.09681	3.8
116.01598	1.1
119.07764	1.1
119.08582	4.3
120.08111	3.1
121.10192	1.5
125.09661	1.4
129.07031	2.1
131.08580	2.0
133.10091	2.5
136.07513	1.5
138.01884	1.2
138.09145	7.3
145.10101	1.9
146.09627	3.3
147.08131	1.0
151.11237	1.4
153.01802	1.6
157.10101	1.7
157.27083	1.0
159.08080	1.2
163.11195	1.7
166.08623	3.9
173.11751	1.5
174.09155	4.4
184.07391	1.4
193.12105	2.0
213.06583	2.9
220.09714	9.1
223.08609	5.7
224.09467	2.8
225.10199	4.1
227.08095	2.8
227.12936	1.6
234.11162	2.6
235.08633	1.4
237.06619	1.5
239.08147	2.6
239.11681	1.3
241.06052	1.5
243.11250	2.0
251.08144	9.8
252.08899	4.6
253.09753	11.0
254.10431	2.0
255.07780	1.5
263.08264	2.7
265.06158	1.3
265.09772	3.0
267.07700	3.6
267.11270	14.0
267.15894	2.6
269.09268	1.6
269.12476	1.3
271.10651	1.5
278.10187	1.3
279.07648	22.0
280.08365	5.5
281.09219	24.1
282.09894	2.3
283.15292	1.7
293.09204	2.6
294.10068	1.4
295.07727	0.9
295.10791	21.6
296.11554	3.3
297.08704	2.1
298.09213	1.7
307.07092	4.3
308.07794	3.1
309.08771	9.0
310.09476	6.1
311.06754	1.5
311.10193	1.3
313.11792	2.7
315.09763	18.5
321.08444	1.3
322.09665	1.7
323.10263	4.5
325.08023	3.4
325.11829	9.9
326.08957	2.1
335.06577	1.6
336.07321	1.4
339.09845	2.5
341.11304	32.4
344.14136	1.1
347.12308	6.6
351.09634	3.4
353.07574	2.5
368.10074	45.0
369.10825	100.0
370.11243	2.7
387.11896	12.6
399.12219	1.5
400.12741	12.1
401.13440	53.1
402.13770	2.6
414.14166	2.5
442.14188	1.2
457.25604	1.1
460.14874	10.0
475.27063	2.4
477.28357	1.5
492.17654	4.4
502.16025	3.1
534.18707	16.9
536.20148	3.8
538.21869	3.0
541.34705	2.1
559.35498	1.6
566.21356	98.5
567.21466	3.7
568.23376	5.2
617.57410	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72412	1.0
53.03932	2.9
54.17929	1.0
55.01877	1.5
55.05511	13.6
57.03437	13.4
57.07078	31.6
59.04987	1.2
61.02919	3.1
67.05506	23.2
69.03432	3.6
69.07074	9.4
71.04987	3.2
71.08631	22.3
79.05069	1.4
79.05498	14.5
81.03420	35.8
81.06599	1.4
81.07062	27.7
83.04991	9.9
83.08620	18.9
85.02903	16.5
85.06535	1.9
85.10177	13.2
86.09710	6.9
87.04458	1.7
89.06061	1.5
91.03960	1.3
91.05480	18.9
93.07042	10.6
95.04964	13.8
95.08605	22.1
97.02865	2.5
97.06528	2.3
97.10162	4.7
98.21465	2.2
99.08060	1.3
105.07045	13.8
107.04950	3.3
107.08575	4.2
109.06526	2.5
109.10159	10.4
111.04414	1.7
111.08061	5.3
119.05003	1.5
119.08589	9.2
121.10151	6.4
123.08069	1.4
123.11706	3.9
124.99989	3.5
125.09637	1.2
129.07028	5.9
131.08577	7.7
133.06512	1.6
133.10150	7.1
135.59494	1.0
137.09708	1.5
137.13295	1.4
142.07782	1.9
145.10110	1.4
147.11667	6.6
149.09586	4.4
156.02490	1.1
157.10126	9.4
163.11198	1.3
165.12767	1.8
175.11220	8.4
184.07327	19.4
185.07729	3.5
193.12239	26.5
194.18649	1.2
211.13293	35.6
229.28116	1.0
239.23672	3.0
249.14836	1.3
257.24863	1.2
267.15915	12.5
285.16968	41.9
287.56723	1.2
313.27365	91.6
314.27762	3.2
505.38943	17.5
523.39966	100.0
524.40112	3.4
623.27771	2.0
720.50488	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	720.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
54.29376	1.0
55.01868	1.6
55.05513	17.8
56.84607	0.8
57.03442	19.6
57.07083	33.4
60.08152	0.9
61.02940	5.3
67.05511	26.1
69.03440	4.8
69.07076	11.3
69.85176	3.6
71.04997	4.4
71.07364	0.9
71.08637	25.2
73.02950	1.0
79.05067	1.7
79.05497	20.4
81.03423	53.6
81.07063	32.8
83.04987	15.4
83.08625	29.6
85.02913	22.6
85.06538	2.4
85.10184	14.7
86.09714	4.2
87.04468	0.9
89.06002	1.9
91.03960	1.8
91.05487	23.8
93.07044	14.8
95.04980	19.5
95.08611	24.9
97.02908	3.7
97.06532	2.7
97.10177	8.3
98.20831	1.1
98.89909	0.9
103.07590	1.4
105.07027	16.9
107.04967	4.5
107.08604	5.7
109.06515	4.9
109.10166	11.8
111.04463	2.4
111.08089	7.1
111.11765	1.7
113.06025	1.6
113.24753	0.8
113.61053	0.9
114.14883	0.9
115.05431	1.0
117.07014	1.5
119.08596	16.5
121.06493	1.0
121.10149	7.9
123.08071	1.9
123.11726	3.8
125.00031	1.5
125.09669	1.7
129.07019	9.8
131.08575	9.3
133.06494	2.2
133.10161	10.2
137.09634	1.4
137.13281	2.1
142.07770	2.0
145.10127	2.1
147.08063	3.1
147.11708	13.8
149.09612	5.0
157.10138	13.4
163.11256	1.3
165.12776	2.6
175.11218	13.5
184.07324	10.1
193.12257	40.9
194.12733	0.9
211.13312	55.6
212.13606	1.1
239.23698	2.7
249.14873	0.9
257.24768	2.4
267.15936	19.5
267.18640	1.5
285.16977	71.9
286.17319	1.2
313.27383	79.5
314.27710	2.6
319.14597	0.9
351.28497	0.8
465.35602	1.1
468.95667	1.0
505.38895	17.6
523.39984	100.0
524.40576	5.0
571.71393	1.1
623.27991	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	720.4447
Annotation	KDdiA-PC
Peak:m/z	Relative Intensity
55.05501	0.3
56.05038	0.8
57.07071	0.2
58.06363	0.2
58.06621	0.5
59.07378	0.1
60.08165	6.8
61.22396	0.1
64.00613	0.1
67.05501	0.5
69.07050	0.2
71.07377	3.9
71.51456	0.2
79.05492	0.3
81.03413	0.3
81.07054	0.5
83.05025	0.2
86.09708	32.8
89.43929	0.1
91.05450	0.3
93.07082	0.2
95.04917	0.2
95.08594	0.4
98.98465	4.1
104.10031	0.2
104.10740	2.3
105.07069	0.3
107.08616	0.2
117.07020	0.2
125.00010	22.1
133.10141	0.2
141.12132	0.1
158.25490	0.1
184.07344	100.0
185.07726	0.6
199.14734	0.1
205.99805	0.1
720.44397	4.5
721.44495	0.3
723.75006	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	720.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
55.01867	1.0
55.05520	7.0
57.03447	5.1
61.73787	1.0
67.05508	20.8
69.03426	1.5
69.07072	4.2
71.04973	2.1
74.24851	0.8
79.05499	29.7
81.03423	35.6
81.07063	16.7
83.04995	6.1
83.08625	8.2
84.53859	0.8
85.02930	1.8
85.06521	1.1
89.25593	0.9
91.05486	23.4
93.07050	25.4
93.07636	1.7
95.04975	14.9
95.08610	9.2
97.02892	1.8
97.06522	2.3
97.10171	2.0
98.20621	1.7
102.14192	0.9
105.04497	1.3
105.07037	16.8
107.04955	3.5
107.08589	7.7
107.23099	0.9
109.06525	2.8
109.10162	1.9
111.04416	1.1
111.08070	3.6
115.05479	0.8
117.06993	4.1
119.08593	13.8
121.06535	2.2
121.10167	3.5
123.08054	2.7
128.06216	1.0
128.76735	0.8
129.07007	10.4
131.08556	4.7
133.06496	1.9
133.10161	6.1
135.11671	1.5
139.30124	0.7
142.07735	1.3
143.08562	4.3
145.06389	0.8
145.10126	3.9
147.08075	2.0
147.11694	13.2
149.09624	3.1
155.08614	1.2
157.10112	4.6
159.11743	0.9
161.09593	1.9
161.13243	2.9
171.11699	8.3
173.04518	1.1
175.11198	3.3
189.12781	3.0
193.12248	8.1
207.13831	8.2
229.47092	1.1
249.14713	1.2
267.15936	32.7
281.14291	1.3
281.17484	37.2
473.29028	100.0
474.29138	4.2
491.29898	1.4
515.30005	1.5
720.40533	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	719.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	14.1
55.01867	12.7
55.05521	36.0
57.03432	10.2
57.07078	6.7
61.02937	8.3
65.03942	7.4
67.05508	100.0
69.03440	18.9
69.07072	31.8
70.15369	3.3
71.04990	14.7
76.63483	3.2
79.05158	2.2
79.05495	92.8
81.03411	31.4
81.07063	95.7
83.04998	16.9
83.08614	15.6
85.02903	9.4
85.06560	5.3
86.09742	3.4
91.05490	94.0
93.07049	77.3
95.04980	25.2
95.08607	46.6
97.02901	11.8
97.06533	13.7
97.10165	6.8
99.08063	4.5
105.07043	93.8
107.04948	9.8
107.08596	42.9
109.02863	10.9
109.06550	6.2
109.10169	25.7
111.08060	6.2
115.05408	3.5
117.07013	27.4
119.08588	63.1
121.06483	6.3
121.10170	23.2
122.44483	3.3
123.08064	6.1
123.11694	5.6
125.09639	3.9
127.03945	6.5
128.06229	5.1
129.06987	25.7
130.07811	4.5
131.08580	35.6
133.06546	4.1
133.10135	45.2
135.08093	4.5
135.11707	12.9
137.09633	4.4
141.06999	5.4
142.07776	4.1
143.08551	22.9
145.10133	29.3
147.08051	3.9
147.11703	41.0
149.09662	3.7
149.13243	8.8
155.08588	14.3
157.10155	19.8
159.11690	20.8
161.09671	7.5
161.13266	18.3
163.11122	4.1
167.08551	6.7
167.60931	4.5
169.10126	10.2
171.11688	21.2
173.13284	11.3
175.14801	5.8
179.14317	4.7
181.10089	7.3
183.11685	17.2
184.07364	7.9
185.09764	3.7
185.13275	8.5
187.14885	4.2
189.12749	6.1
195.11778	7.0
197.13242	10.9
199.14857	6.9
207.11877	3.5
207.13800	11.0
209.13326	6.3
211.14842	8.4
223.14966	5.1
227.12643	4.6
241.19464	17.6
257.19073	4.6
259.20538	25.5
275.20090	26.5
276.20078	3.3
279.16000	8.9
281.17465	31.0
298.09909	3.6
333.24265	16.4
437.34024	4.7
447.32529	10.9
465.33661	7.6
483.35065	5.1
521.35663	6.2
539.37512	56.1
557.38397	31.0
622.24225	7.9
674.62451	3.6
701.41803	10.4
719.42902	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	719.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.2
53.03957	14.7
53.44761	2.2
53.51125	2.0
55.01877	16.9
55.05515	39.4
57.03440	19.2
57.07072	4.5
59.04996	4.0
61.02922	2.7
65.03944	8.8
67.05510	100.0
68.05850	3.6
69.03437	35.8
69.07071	32.2
69.18443	3.6
69.18853	18.1
71.01360	3.6
71.04995	15.5
71.37176	1.9
73.02934	4.6
79.05502	72.7
79.05969	3.7
81.03426	93.9
81.07064	86.7
83.04997	25.9
83.08623	20.4
85.02918	20.8
85.06548	6.2
91.05488	71.5
93.07053	57.0
95.04973	34.1
95.08614	44.5
96.08939	2.7
97.02900	34.2
97.06538	16.0
97.10178	14.8
99.04489	9.4
99.08116	2.9
103.05490	4.0
105.07037	53.8
107.04983	16.7
107.08601	41.0
109.02885	24.7
109.06532	16.0
109.10167	39.2
110.10502	2.4
111.04446	11.9
111.08089	10.5
113.06033	4.3
113.09653	2.4
115.05460	5.7
117.07019	22.4
119.04957	4.6
119.07811	3.2
119.08593	41.3
121.06483	12.1
121.10146	26.5
123.04464	8.4
123.08091	12.3
123.11725	7.1
125.09615	16.0
127.03951	12.0
128.06238	6.1
129.05562	3.4
129.07021	22.5
130.07852	2.5
131.04922	3.6
131.08578	34.2
133.06516	10.4
133.10143	29.2
135.04433	2.5
135.08069	10.9
135.11711	11.3
137.05994	3.1
137.09618	7.6
141.07034	6.1
142.07805	5.3
143.03415	2.3
143.08586	11.8
145.06479	7.4
145.10121	25.2
147.04391	3.4
147.08023	12.9
147.11679	17.8
149.06001	3.1
149.09679	18.4
149.13281	4.8
151.11217	5.2
153.12778	4.0
155.08554	7.6
155.10612	2.4
157.06479	4.1
157.10114	17.4
159.08069	8.2
159.11668	11.7
161.09639	9.4
161.13319	4.7
163.11203	16.3
165.12827	4.2
167.08556	3.4
169.10136	7.5
171.08067	5.7
171.11708	10.0
173.04504	17.9
173.09650	5.0
173.11766	4.3
173.13275	3.9
175.11223	11.5
177.12718	5.0
179.08591	4.0
181.10162	4.1
181.12227	3.4
183.11720	6.3
185.09709	6.5
185.13261	6.0
187.07513	2.8
187.11221	5.3
189.09103	2.3
189.11220	7.3
189.12755	2.2
191.10680	5.6
192.56248	2.1
193.10512	3.7
193.12238	20.1
197.09650	2.1
197.13272	6.6
199.11284	3.8
199.13159	2.9
199.14867	3.1
201.12770	4.1
205.12207	4.7
209.11714	4.8
209.13484	2.4
211.13231	19.1
211.14818	2.3
213.12767	2.7
223.13237	2.8
227.12706	10.0
227.17940	2.4
229.12398	2.9
229.14342	13.1
229.19543	2.5
230.14760	3.1
233.11920	2.3
235.13139	2.8
239.17963	2.6
245.19043	3.9
247.20560	2.6
249.15019	2.4
257.19031	6.9
267.15952	10.4
273.15250	4.0
273.18509	25.3
275.20120	21.7
283.15405	4.5
285.16846	4.4
291.19510	23.9
293.20944	2.6
301.14252	3.1
311.20105	4.9
313.21582	3.4
313.98148	2.2
329.21347	4.0
347.22156	7.9
349.23758	8.5
350.24124	2.6
355.22614	2.3
403.25116	2.9
421.26016	2.8
424.28339	3.3
427.19162	3.2
439.26886	3.6
443.27933	2.6
465.29895	2.5
487.47830	2.3
503.33459	3.4
529.35266	3.0
539.33740	11.1
557.34692	23.6
575.35748	6.6
578.38232	2.7
597.32001	2.5
683.37811	7.0
701.38293	11.1
719.40021	43.9
720.41260	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	719.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	16.2
55.01882	14.3
55.05516	41.8
55.91202	2.1
57.03446	17.0
59.04997	3.0
61.02923	2.6
61.66756	2.5
63.35766	2.7
63.96335	2.3
65.03909	3.6
66.20324	2.5
67.05511	100.0
68.05840	6.7
69.03439	31.9
69.07076	29.4
71.01360	3.2
71.04996	13.1
71.12215	2.3
73.02936	2.7
79.05501	69.1
80.05820	3.0
81.03427	80.2
81.07066	77.5
82.03770	2.6
82.07364	2.6
83.04996	20.6
83.08619	23.4
85.02908	18.9
85.06544	6.0
86.06166	2.6
91.03909	2.5
91.05487	62.3
92.05793	3.3
93.07047	63.3
94.07356	4.4
95.04958	24.1
95.08611	28.9
97.02905	20.6
97.06540	13.2
97.10197	14.2
99.04453	9.7
102.50656	2.3
103.05464	3.4
105.04446	2.5
105.06385	4.5
105.07040	45.5
107.04958	18.2
107.08607	35.7
109.02892	17.8
109.06518	14.3
109.09477	3.6
109.10172	47.1
110.10502	6.7
111.04441	13.8
111.08089	10.7
115.05463	4.6
117.07043	19.7
119.04967	2.5
119.08595	39.5
121.06545	11.8
121.10163	22.9
121.77697	2.3
123.04463	2.4
123.08075	11.7
123.11723	6.1
125.09634	13.7
127.03922	9.7
128.06190	2.9
129.05482	2.9
129.07014	14.5
131.08583	20.0
133.06473	6.7
133.10147	26.0
135.08083	11.5
135.11705	15.6
137.06058	2.6
137.09613	9.2
141.06955	4.5
142.07809	5.9
143.08586	10.1
145.06505	8.7
145.10132	21.6
147.08063	10.4
147.11656	14.8
149.09631	10.6
149.13269	5.7
151.11221	4.6
153.07045	2.8
153.12656	3.5
154.07846	3.1
155.08519	2.6
157.06429	3.0
157.10143	11.9
159.08049	4.0
159.11627	13.0
161.09700	4.4
161.13268	3.3
163.11176	21.5
164.29646	2.4
164.92477	2.3
165.12700	3.3
168.03741	2.4
169.10066	4.6
171.10300	3.7
171.11673	6.2
173.04506	10.1
173.09550	5.0
173.11777	5.9
173.13240	5.0
174.11897	2.6
175.07686	2.6
175.11212	5.7
177.12804	4.4
181.10031	3.4
181.12344	5.6
185.09703	3.7
185.13211	4.2
189.11247	9.4
191.10698	4.9
193.10484	3.1
193.12146	12.2
195.11833	3.7
195.13823	2.5
209.11760	3.4
211.13268	17.2
219.13676	3.9
223.13321	7.9
227.12759	19.0
229.14313	24.0
229.19534	3.9
230.14725	7.2
231.94083	2.6
249.14816	3.6
253.14328	2.5
257.19089	6.6
260.11942	2.8
267.15927	7.2
269.17624	4.8
270.17935	4.9
273.15604	2.4
273.18384	14.5
274.51282	2.9
275.20074	30.1
276.20444	3.1
282.64807	2.5
283.15485	11.7
291.19550	29.5
293.21112	2.9
301.14420	3.0
313.21555	4.8
347.22293	3.5
349.23593	7.6
350.24222	3.8
355.17456	4.2
365.23334	4.7
380.04013	2.3
396.16119	2.2
409.25613	3.4
410.26123	7.7
411.20105	4.8
419.24210	2.8
423.27576	12.9
424.27835	25.8
427.19638	3.2
447.28336	3.4
465.30121	3.0
504.33707	4.6
539.33917	11.5
547.28564	3.0
557.34430	18.5
575.34937	3.8
665.03851	2.7
665.36780	3.4
683.37952	3.2
701.38733	11.8
719.39996	44.5
720.40491	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	719.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12642	0.5
54.78786	0.5
57.07084	0.7
58.06599	0.7
67.05502	1.6
69.07069	0.8
71.52078	0.9
72.08163	1.1
79.05489	1.5
81.07072	2.0
86.09715	1.1
87.14922	0.7
91.05493	1.7
93.07058	1.2
95.08630	0.8
101.13151	0.7
103.77795	0.6
107.08567	0.8
119.08570	0.7
121.10075	0.7
131.08534	0.7
147.11705	0.7
159.11612	0.6
159.32304	0.6
161.50342	0.7
184.07394	2.9
209.10854	0.8
210.11526	0.8
211.12393	0.7
223.08737	0.8
223.12482	1.1
224.13083	1.1
225.10271	1.3
225.13979	2.6
226.14578	0.8
237.13979	1.4
249.14021	1.1
251.08191	2.2
273.18503	1.0
376.17819	0.7
389.17813	1.0
403.15253	1.7
405.20813	1.0
416.16840	1.0
417.17047	3.5
418.17398	3.3
431.18747	2.3
432.19482	2.3
433.20285	4.9
445.16290	1.0
447.21915	10.1
448.22763	0.9
460.18906	1.3
461.19711	0.9
472.52844	0.8
474.20438	1.1
475.21332	23.1
476.21924	5.1
487.21713	0.9
489.23474	0.8
493.22238	0.9
503.21240	2.4
507.24277	0.9
519.24463	1.2
535.23456	15.7
547.23541	2.4
549.25006	1.4
561.25201	2.0
562.25751	5.3
563.26666	2.2
590.25305	1.6
607.25934	1.6
607.43982	0.7
621.27240	4.0
622.27911	100.0
623.28290	5.1
652.60962	0.7
709.10272	0.8
719.46118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
57.07062	0.4
67.05511	0.5
69.07068	0.4
71.08639	0.3
71.51653	0.5
79.05498	0.5
81.07042	0.5
83.08658	0.4
86.09708	0.5
91.05482	0.7
93.07034	0.4
94.06541	0.4
95.08601	0.3
104.16503	0.3
107.08624	0.3
118.06519	0.3
120.08135	0.4
121.74475	0.3
125.00031	0.7
179.22646	0.3
184.07362	2.7
185.07693	0.4
195.09221	0.4
197.10812	0.5
204.06667	0.6
207.09033	0.3
208.10052	0.4
209.10774	0.7
210.11491	0.7
211.08694	0.4
212.13129	0.7
219.09323	0.3
220.09930	0.4
221.10748	0.6
222.11569	0.7
223.08691	0.8
223.12289	1.3
224.13097	0.8
225.10278	0.9
225.13870	3.1
226.14670	0.8
235.08565	0.3
235.12447	0.7
236.13315	0.4
237.13826	2.3
238.14687	0.7
239.15508	0.6
240.29698	0.3
247.12364	0.5
249.10233	0.5
249.13997	1.2
251.08244	1.8
251.12010	0.3
253.13370	0.3
261.13986	0.4
269.12793	0.5
270.13748	0.4
275.15387	0.7
277.06213	0.5
297.12601	0.4
309.08755	0.4
314.13028	0.5
326.12900	0.5
337.12039	0.5
338.12900	0.7
340.14551	0.6
342.16248	0.4
351.13712	0.4
352.14478	0.4
353.15424	0.5
358.15787	0.4
368.13788	0.4
384.17105	0.3
386.16882	0.3
388.17474	0.5
389.17795	0.8
390.18817	0.5
399.19400	0.5
402.15024	0.5
403.15164	1.7
405.21011	0.4
412.16660	0.5
415.15454	0.4
416.16870	0.4
417.16940	3.4
418.17612	2.3
419.18106	0.7
419.23068	0.6
430.18808	0.6
431.18707	2.0
432.19498	2.5
433.20236	4.0
434.21133	0.5
445.16760	1.4
446.17200	0.4
447.21869	10.3
448.22543	1.6
455.18484	0.4
458.17715	0.4
459.17456	0.5
459.22653	0.5
460.19165	1.2
461.18826	0.5
461.24200	0.6
462.20279	0.6
473.20609	0.4
474.20486	1.2
475.21313	21.5
476.22003	3.5
477.23181	0.8
489.23462	0.6
493.21893	0.6
501.23315	0.5
503.20358	3.2
504.21313	0.4
507.24008	0.9
515.21027	0.5
519.23828	1.1
521.21301	0.6
534.25916	0.6
535.23419	14.9
536.23779	0.8
547.23157	2.6
549.25439	1.5
561.25031	5.5
562.25604	3.9
563.26465	2.7
579.26251	0.5
590.25116	1.1
594.28760	0.5
607.25659	1.4
621.27124	7.8
622.27881	100.0
623.28217	6.8
719.34027	1.0
719.45184	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.8
57.03440	1.5
57.07080	3.9
58.62923	0.5
63.92793	0.5
65.03954	0.6
67.05515	4.5
67.53255	0.5
68.05838	0.6
69.07068	2.0
69.29748	0.9
69.30142	3.7
71.04997	0.7
71.08635	4.0
79.05494	3.7
81.03451	1.1
81.07069	4.2
83.04934	0.6
83.08624	1.6
85.02941	0.6
85.10204	2.2
91.05492	2.5
93.07050	5.2
94.07385	0.8
95.04981	1.3
95.08609	6.4
96.08952	0.7
97.02879	1.3
97.10186	0.9
105.07037	2.0
107.04950	1.1
107.08575	3.2
109.10146	1.5
111.04479	0.5
117.06998	1.1
119.08584	1.8
120.08084	0.5
121.06506	1.2
121.10181	1.9
122.10551	0.6
131.08586	0.6
133.10149	1.0
135.11714	5.2
136.12053	1.9
138.77179	0.5
145.10162	3.3
155.08606	0.7
163.11180	6.9
164.11588	2.0
181.12305	1.3
184.07396	1.8
196.10019	0.6
209.10815	0.6
210.11504	0.8
211.12421	0.6
211.12952	0.6
212.13103	0.6
221.10786	1.2
223.08789	1.3
223.12350	1.3
224.13141	1.2
225.10352	1.3
225.13921	4.0
226.14656	0.8
227.12794	8.2
228.13170	2.7
235.12299	1.1
237.10263	0.8
237.13947	2.1
249.13820	0.6
251.08272	1.9
260.13028	0.7
283.15399	10.9
284.15790	6.7
287.10684	0.6
312.15024	0.6
313.27386	12.3
314.13144	0.6
314.27759	7.7
331.55368	0.5
338.12802	1.1
367.22974	0.6
375.16354	0.8
389.17960	0.9
399.19736	0.8
401.17810	0.6
403.15576	2.0
403.20050	0.8
403.53674	0.6
404.20551	0.9
405.20853	0.7
416.16602	0.6
417.16885	3.6
418.17578	2.6
419.18332	0.7
419.23013	0.8
430.18893	1.0
431.19016	2.5
432.19498	3.3
433.20187	5.0
434.21204	0.7
445.16656	1.6
447.22021	9.9
448.22711	1.2
459.21875	1.7
460.19046	0.6
461.19177	1.3
474.20493	1.5
475.21320	27.8
476.21844	5.0
487.21338	0.9
489.23145	0.8
503.20236	3.1
519.23834	1.6
521.38428	5.9
522.38782	12.1
523.40228	2.5
535.23376	16.4
536.23657	1.0
547.23560	3.0
549.24915	1.5
551.26300	0.7
561.25049	6.6
562.25775	6.5
563.26868	2.8
589.24487	0.7
590.25397	1.6
607.24927	0.7
607.43188	0.7
621.27100	8.7
622.27893	100.0
623.28186	5.8
701.33722	1.3
701.46448	0.7
719.33435	0.9
719.45807	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70747	1.0
55.05517	7.8
57.03446	6.4
57.07081	25.6
58.06593	1.2
61.02923	1.4
65.77885	0.8
67.05509	13.8
69.03462	1.1
69.07069	7.3
70.54323	1.0
71.05022	0.9
71.08639	19.6
71.50921	1.1
71.51326	1.4
73.02899	0.9
77.16422	0.8
79.05500	12.5
81.03424	1.7
81.07067	15.6
83.04985	1.7
83.08625	10.8
85.02888	1.1
85.06515	0.9
85.10192	10.3
86.09706	3.5
89.06021	2.4
91.05484	3.2
93.07050	16.1
95.04969	3.2
95.08616	26.3
96.08984	1.0
97.02901	2.4
97.06517	2.1
97.10181	3.1
99.04465	2.7
103.07603	1.5
105.07034	2.5
107.04971	4.0
107.08601	13.0
109.10177	6.7
109.78853	0.9
111.04498	0.9
111.08115	1.2
117.07036	4.7
119.08593	5.7
121.06530	2.8
121.10152	6.8
123.11741	2.0
125.00008	2.0
125.05967	1.1
132.87300	1.0
133.10129	1.5
135.08047	1.5
135.10690	1.9
135.11697	28.2
137.13319	1.3
144.84216	0.8
145.10135	14.5
151.14873	0.9
163.11194	34.0
181.12238	5.3
184.07361	10.7
196.97279	0.8
221.23277	0.8
227.12794	38.3
239.23705	1.6
250.47861	1.0
257.24860	1.7
280.98584	0.9
283.15417	39.1
284.16132	1.0
311.98669	0.8
313.27383	100.0
314.27664	3.1
511.61539	1.2
521.38452	69.7
522.38611	3.2
594.32990	1.1
622.27582	2.4
652.72729	1.0
718.46204	2.6
733.60730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.2
57.03465	0.7
57.07082	0.7
67.05503	2.7
79.05494	1.7
81.07067	1.8
83.08604	1.0
86.09716	0.9
88.79004	0.7
91.05490	1.3
92.23862	0.7
93.07015	1.0
95.08617	0.9
117.07082	1.3
119.08582	1.0
124.99991	1.0
133.10143	1.1
145.10130	0.8
184.07352	4.9
184.09850	0.8
211.12509	0.7
212.51575	0.6
223.08693	1.1
223.12335	1.9
224.13194	1.1
225.13782	3.1
226.14488	0.7
235.12402	0.9
237.13844	1.7
249.13934	1.5
251.08322	1.7
265.13538	0.7
307.38898	0.7
314.13031	1.3
334.56479	0.6
372.37979	0.7
389.18106	1.0
403.15408	0.9
417.16757	4.7
418.18094	1.6
419.18393	1.2
431.18735	2.2
432.19785	3.5
433.20358	4.3
445.16257	1.4
447.21884	10.9
448.22559	1.2
459.22226	0.8
460.18997	1.6
461.19360	1.1
475.21289	26.7
476.21936	4.0
489.23294	0.8
493.21979	1.1
503.20993	2.9
507.23993	1.1
519.24762	0.8
526.22015	0.7
535.23364	15.2
547.23083	2.0
549.24811	2.4
561.25275	2.2
562.25446	3.0
563.26550	4.2
607.25708	1.7
607.44037	1.3
611.79462	0.8
621.27155	2.8
622.27887	100.0
623.28143	6.4
701.33728	1.4
719.45795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04708	0.1
55.05500	0.1
55.12157	0.1
55.45695	0.1
56.05025	0.8
57.07073	0.3
57.70728	0.1
58.06327	0.3
58.06622	0.8
60.08170	7.1
62.59501	0.2
63.46275	0.1
67.05512	0.4
69.07080	0.2
70.06647	0.2
71.07376	3.6
71.08650	0.2
71.51403	0.2
79.05481	0.4
81.03407	0.2
81.07065	0.5
86.09711	33.2
87.10062	0.2
90.63514	0.1
91.05482	0.2
93.07082	0.3
95.08624	0.4
98.98474	3.8
104.10744	2.0
104.11355	0.3
105.07032	0.2
107.08565	0.2
109.10171	0.2
121.62098	0.2
125.00012	23.0
132.25012	0.2
135.11757	0.2
145.10083	0.2
147.90668	0.1
159.52220	0.2
184.07350	100.0
185.07713	0.7
200.01965	0.2
209.88689	0.2
313.27383	0.3
326.47855	0.2
409.20023	0.2
410.20486	0.4
421.31735	0.2
424.22113	0.2
425.23050	0.4
496.23218	0.2
512.27155	0.6
521.38531	0.2
556.26392	0.4
599.27881	0.3
620.81897	0.2
626.26477	0.2
654.26379	0.5
686.28857	1.7
700.30243	0.5
700.46637	0.2
718.31268	1.7
718.45923	5.8
719.46088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88895	1.9
55.01861	3.7
55.05521	11.9
57.03442	12.7
57.06843	2.0
57.07084	26.8
59.05004	1.8
60.08135	2.2
61.02923	4.6
63.05280	2.4
67.05519	13.2
69.03425	2.2
69.07065	8.2
69.25644	2.3
70.58086	2.1
71.04996	3.1
71.08636	17.9
71.52203	2.8
76.36324	2.1
79.05498	13.5
81.03422	6.5
81.07066	19.0
83.01334	6.8
83.04982	8.3
83.08629	13.0
85.02900	6.1
85.10201	9.8
86.09718	3.5
89.14648	1.8
91.05469	8.8
93.07048	18.4
94.86726	1.7
95.05000	4.0
95.08604	14.8
97.02881	4.1
97.10161	5.9
105.07028	7.5
107.04943	5.0
107.08593	7.6
109.06519	6.1
109.10164	5.4
117.06991	6.5
119.08591	4.6
121.06453	2.2
121.10131	4.0
123.08045	4.0
124.99928	2.5
125.89520	2.0
135.08049	3.6
135.11696	7.1
145.10101	8.5
153.12738	2.3
154.78067	2.2
163.11180	12.8
184.07338	9.1
209.11679	4.0
227.12827	2.4
283.15417	100.0
284.15692	2.9
313.27377	72.6
314.27911	2.8
471.71622	2.4
521.38483	54.2
522.38983	3.1
548.36292	2.5
622.27502	6.7
718.47546	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	718.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
53.04182	0.7
55.01863	2.5
55.05511	11.6
57.03444	11.0
57.07079	29.1
61.02921	1.7
67.05180	1.2
67.05507	17.1
69.03426	1.1
69.07074	11.2
69.32044	6.2
71.04974	2.4
71.08634	22.3
73.02914	1.4
77.77134	0.6
79.05493	21.8
81.03400	2.3
81.06590	1.3
81.07061	24.9
82.97784	0.7
83.04968	2.6
83.08622	14.4
85.02921	0.8
85.10187	13.9
86.09698	1.5
86.95939	0.8
89.06009	2.9
91.05481	6.4
93.07049	28.8
95.04949	5.5
95.08608	42.6
97.02907	3.6
97.06521	2.8
97.10170	4.6
98.20773	1.2
99.04470	5.6
103.05465	1.2
103.07596	0.9
105.07051	5.6
106.28114	0.8
107.04963	8.3
107.08601	24.3
109.10164	9.8
111.04446	1.1
111.08082	1.5
117.07030	7.8
119.08580	8.8
121.06509	5.2
121.10159	10.7
123.11694	2.4
125.00019	0.9
125.05993	3.2
130.07802	1.0
133.10143	2.9
135.08040	2.7
135.11696	43.0
137.13298	1.2
139.07549	1.7
143.08466	0.8
145.10130	23.6
145.11279	1.2
153.12819	1.0
163.11188	56.5
164.11603	1.0
181.12236	8.9
184.07353	4.5
209.11453	1.2
227.12791	62.9
239.23650	1.4
257.24744	1.3
283.15411	90.6
284.15768	2.2
284.20169	0.8
289.47247	0.9
313.27371	100.0
314.27777	3.1
352.68747	0.8
475.21143	2.3
521.38422	93.7
522.38409	4.5
535.23474	1.3
583.45453	0.8
595.48010	0.9
607.43591	0.8
622.27686	7.6
632.68884	0.9
718.46417	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.2
55.01873	5.8
55.05280	1.1
55.05516	16.6
57.03445	12.9
57.07072	1.8
59.04995	4.5
61.02908	3.2
65.03925	3.6
67.05508	100.0
69.03444	5.8
69.07070	15.0
70.23756	3.4
71.04192	0.9
71.04979	4.6
76.89002	1.0
79.05499	29.1
81.03423	8.8
81.07063	46.0
83.04984	5.4
83.08620	13.2
85.02898	3.1
85.06530	3.7
91.05486	24.9
93.07055	23.9
95.04989	5.6
95.08607	17.4
97.02888	3.2
97.06535	7.9
97.10179	6.1
99.04449	1.3
99.08088	2.4
99.48366	1.0
105.07031	18.3
107.04956	5.2
107.08598	18.6
109.02885	2.1
109.06523	4.1
109.10165	72.9
110.10509	1.5
111.04411	1.5
111.08082	4.6
113.05956	1.1
116.06205	0.9
117.07027	8.5
119.08589	14.6
121.06470	2.3
121.10130	6.9
123.08042	3.4
123.11722	1.9
125.09616	5.7
127.03938	1.9
129.05478	1.3
129.07033	2.1
131.08551	8.1
133.06502	1.2
133.10126	11.5
135.08057	3.1
135.11690	9.5
137.09630	4.3
139.11140	1.0
143.08542	1.5
145.06461	1.4
145.10126	7.5
147.08011	1.3
147.11699	3.5
149.09634	7.3
149.13252	4.8
151.10980	1.0
155.10654	6.9
157.10101	3.6
159.11729	4.8
161.09654	1.3
161.13277	3.1
163.11157	4.2
171.11699	2.0
173.04448	1.7
173.05937	1.2
173.11732	15.6
173.13213	3.3
175.11183	1.4
177.12660	1.8
179.14317	1.5
183.11734	1.5
184.07343	1.3
189.11223	1.2
195.13797	3.8
196.11067	1.0
207.11821	1.0
215.14326	1.0
227.12814	10.0
229.14354	63.8
239.18010	1.8
247.20474	1.3
251.16454	1.1
255.15895	6.1
257.18994	5.1
267.16107	1.2
269.17517	12.1
273.18240	1.1
275.20102	20.1
293.20947	1.4
331.22586	2.8
349.23718	15.8
367.24994	1.4
399.23718	2.0
407.28070	1.7
409.25964	17.1
423.27441	60.6
424.27484	2.4
503.33743	24.8
521.34601	4.2
567.31281	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14315	1.2
53.03940	5.0
55.01865	6.1
55.05515	16.5
57.03432	11.8
59.05005	3.1
61.02922	1.7
65.03920	3.1
67.05508	100.0
67.59377	1.2
68.05833	1.2
69.03425	6.9
69.06735	1.2
69.07072	15.9
69.17906	14.5
71.04994	7.9
73.02885	2.1
79.05064	2.4
79.05494	30.5
81.03416	13.4
81.07060	51.2
82.07399	1.5
83.04980	5.2
83.08627	13.5
85.02890	4.9
85.06535	4.2
91.05479	26.1
93.07044	31.1
95.04955	8.1
95.08614	20.7
97.02879	3.9
97.06518	8.9
97.10170	4.8
98.21366	5.1
99.08070	2.4
101.18198	1.2
103.05437	1.8
105.07032	18.8
106.07393	1.9
107.04935	5.4
107.08601	18.6
109.02863	4.6
109.06534	4.6
109.10157	70.9
110.10522	1.5
111.08067	4.6
115.00582	1.2
115.05464	2.4
117.07014	8.3
119.08575	16.4
121.06532	2.6
121.10127	8.4
123.08036	2.7
125.09634	3.3
127.03851	1.5
129.07002	3.3
131.08575	10.0
133.10153	12.2
135.08040	2.2
135.11707	10.5
137.09619	5.5
139.11102	1.5
143.08543	2.5
145.10133	10.8
147.11722	6.4
149.09673	6.8
149.13245	5.0
155.10632	7.2
157.10042	2.9
159.11717	8.4
161.09615	1.5
163.11172	4.7
167.10582	1.8
169.10054	2.0
171.11681	1.5
173.04492	2.6
173.09554	1.9
173.11734	15.7
173.13293	3.5
175.11208	2.7
177.12799	2.5
179.14314	1.7
183.11632	1.5
189.11224	2.0
195.08047	1.3
195.13797	4.2
197.13440	1.5
227.12791	8.5
229.14362	71.8
255.15913	4.2
257.18997	6.8
267.15948	2.2
269.17508	13.0
275.20065	22.0
283.15411	1.5
291.19650	2.5
292.23413	1.4
293.21027	1.6
302.14163	1.3
305.17691	1.4
349.23743	14.9
365.51355	1.7
407.28485	1.6
409.25897	20.5
423.27432	71.4
503.33630	22.6
521.34375	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	717.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	4.1
53.03938	15.1
55.01884	25.9
55.05513	28.4
57.03440	10.6
65.03954	8.4
67.05511	67.9
69.03436	18.3
69.07073	43.1
71.04994	7.0
73.51131	3.3
79.05496	74.9
81.03430	43.1
81.07061	81.1
83.04993	18.7
83.08620	13.6
85.02898	9.7
85.06525	4.8
86.09718	4.6
91.05490	90.4
93.07047	56.8
95.01318	15.6
95.04973	18.3
95.08618	50.9
97.02879	6.8
97.06537	46.9
97.10150	9.2
98.20772	5.9
99.08057	3.4
103.05470	7.2
105.07041	100.0
107.04966	31.6
107.08606	31.2
109.02855	8.8
109.06531	8.9
109.10146	16.3
111.08067	4.1
115.05460	5.2
117.07015	31.4
119.04973	5.4
119.08581	52.4
119.09376	4.6
121.06508	6.1
121.10153	15.0
123.04401	4.7
123.08105	7.2
124.99969	5.0
125.09605	4.1
127.03934	4.9
128.06265	5.0
129.07019	14.6
131.08560	40.4
133.06509	8.5
133.10152	51.1
135.08124	5.3
135.11702	11.6
137.09631	5.4
141.07034	6.4
143.08542	10.8
145.06459	4.9
145.10149	32.4
147.08028	6.9
147.11678	26.5
149.09631	8.0
149.13297	5.1
157.10110	12.1
159.08064	3.9
159.11734	17.0
161.09659	4.0
161.13277	7.4
163.11229	5.6
167.08537	3.6
169.10129	7.2
171.08064	4.5
171.11678	18.3
171.27216	3.5
173.04466	7.7
173.13223	8.5
175.11346	5.8
177.12793	8.8
179.14320	20.0
181.10252	4.0
183.11679	4.2
184.07373	21.9
185.07735	3.7
185.13309	4.9
187.11227	7.3
189.12808	3.6
195.11800	4.4
207.13901	10.3
223.14912	6.1
239.17911	3.8
251.14403	4.3
257.15347	3.9
257.19000	7.2
259.20441	5.4
269.15408	7.6
275.20068	89.1
279.15894	8.5
281.17554	7.7
287.16467	8.9
292.70981	4.5
293.21121	8.2
349.23819	28.0
425.21637	16.1
555.36865	44.0
635.39301	5.4
699.26556	5.5
699.40710	11.0
717.42041	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	4.1
53.03938	15.1
55.01884	25.9
55.05513	28.4
57.03440	10.6
65.03954	8.4
67.05511	67.9
69.03436	18.3
69.07073	43.1
71.04994	7.0
73.51131	3.3
79.05496	74.9
81.03430	43.1
81.07061	81.1
83.04993	18.7
83.08620	13.6
85.02898	9.7
85.06525	4.8
86.09718	4.6
91.05490	90.4
93.07047	56.8
95.01318	15.6
95.04973	18.3
95.08618	50.9
97.02879	6.8
97.06537	46.9
97.10150	9.2
98.20772	5.9
99.08057	3.4
103.05470	7.2
105.07041	100.0
107.04966	31.6
107.08606	31.2
109.02855	8.8
109.06531	8.9
109.10146	16.3
111.08067	4.1
115.05460	5.2
117.07015	31.4
119.04973	5.4
119.08581	52.4
119.09376	4.6
121.06508	6.1
121.10153	15.0
123.04401	4.7
123.08105	7.2
124.99969	5.0
125.09605	4.1
127.03934	4.9
128.06265	5.0
129.07019	14.6
131.08560	40.4
133.06509	8.5
133.10152	51.1
135.08124	5.3
135.11702	11.6
137.09631	5.4
141.07034	6.4
143.08542	10.8
145.06459	4.9
145.10149	32.4
147.08028	6.9
147.11678	26.5
149.09631	8.0
149.13297	5.1
157.10110	12.1
159.08064	3.9
159.11734	17.0
161.09659	4.0
161.13277	7.4
163.11229	5.6
167.08537	3.6
169.10129	7.2
171.08064	4.5
171.11678	18.3
171.27216	3.5
173.04466	7.7
173.13223	8.5
175.11346	5.8
177.12793	8.8
179.14320	20.0
181.10252	4.0
183.11679	4.2
184.07373	21.9
185.07735	3.7
185.13309	4.9
187.11227	7.3
189.12808	3.6
195.11800	4.4
207.13901	10.3
223.14912	6.1
239.17911	3.8
251.14403	4.3
257.15347	3.9
257.19000	7.2
259.20441	5.4
269.15408	7.6
275.20068	89.1
279.15894	8.5
281.17554	7.7
287.16467	8.9
292.70981	4.5
293.21121	8.2
349.23819	28.0
425.21637	16.1
555.36865	44.0
635.39301	5.4
699.26556	5.5
699.40710	11.0
717.42041	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	2.7
57.07074	2.5
60.08162	2.1
67.05517	6.9
69.07078	2.7
71.07374	2.9
72.27572	1.5
79.05495	4.4
79.50244	1.6
81.07066	5.9
83.01038	1.6
83.08598	2.1
86.09712	14.7
91.05511	4.8
93.07052	5.0
95.08598	4.9
96.36384	1.4
98.21537	3.3
105.07055	2.9
109.10201	1.8
120.60629	1.7
125.00002	9.5
133.10049	2.0
142.45422	1.7
149.42615	1.6
184.07339	46.9
221.10638	2.0
223.93182	1.5
237.13713	2.6
274.13504	2.2
277.13632	2.0
300.15268	1.7
312.14923	1.6
337.15833	2.0
340.18289	2.0
353.17981	2.6
365.17923	3.7
367.19141	2.9
378.18967	2.2
379.19495	3.4
380.20322	2.0
381.20819	4.3
393.16986	2.9
394.17834	5.0
395.18506	3.6
407.18448	2.7
407.23056	2.4
408.19556	3.6
409.20239	32.8
409.25140	1.9
410.21143	3.0
417.16385	1.8
419.18750	3.1
421.20282	5.1
423.22079	17.3
424.22733	13.6
428.19275	2.1
434.18445	1.9
435.22333	4.2
436.22931	2.6
439.17337	2.5
440.22287	2.4
443.22220	6.4
449.19589	1.8
451.21429	4.1
453.19485	6.2
454.20145	2.3
463.21503	5.6
464.22226	2.1
467.20731	1.9
468.21655	3.9
469.26428	1.8
477.18817	2.1
479.85092	1.7
480.17502	2.2
491.20932	2.8
492.21121	2.1
493.18265	2.6
494.24539	2.2
495.24265	5.0
496.24304	5.0
503.24127	3.4
507.23929	2.3
508.23196	1.5
509.23184	1.6
510.26721	3.4
511.27206	33.3
521.25653	4.7
522.26312	3.7
523.23767	5.8
525.25092	3.2
537.25049	3.2
538.25641	3.2
539.25970	2.2
551.23059	6.9
552.26398	1.7
553.27832	4.9
554.25348	2.1
555.26093	28.9
556.26935	5.0
565.23602	2.4
567.22723	5.6
579.26685	1.9
580.27264	2.2
581.28503	7.6
582.24927	4.8
583.25256	3.6
593.23920	5.8
597.25592	2.3
598.27747	23.4
599.28754	2.8
611.25116	3.2
612.29773	2.3
616.15674	1.9
625.26611	15.5
626.26617	3.4
642.27094	4.4
643.27606	7.2
653.25977	21.7
657.29242	8.9
667.27551	8.6
685.28693	100.0
686.29071	8.0
699.30328	21.2
700.31207	1.9
717.31329	92.4
717.45953	7.0
718.31567	4.0
718.45795	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	716.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
54.03706	2.0
55.05506	12.6
57.03429	6.9
57.07075	21.5
63.62555	2.4
65.03915	3.2
67.05507	32.5
69.07062	11.2
71.04981	2.4
71.08636	21.4
71.51803	3.1
79.05087	2.4
79.05501	33.2
81.00692	2.4
81.03407	3.3
81.07059	31.8
83.04984	6.1
83.08598	8.8
84.06691	2.4
85.06535	2.4
85.10177	9.1
86.09720	4.4
89.06038	5.7
89.54301	2.3
91.05486	30.8
93.07051	32.4
95.04948	6.0
95.08609	23.5
97.06521	2.6
97.10139	5.1
105.07037	18.2
107.08645	11.4
109.06490	4.9
109.10152	6.7
119.08615	13.9
121.35029	2.6
123.08028	2.7
123.11746	4.8
125.00059	3.5
129.06998	7.8
129.35239	2.4
133.08566	6.1
133.10152	5.4
143.08516	4.0
145.10091	5.1
147.11705	22.8
161.13284	7.9
171.11739	14.0
174.88213	2.3
179.14352	2.6
184.07356	16.6
189.12672	4.2
207.13780	17.9
228.83766	2.4
281.14334	3.0
281.17468	51.4
298.84735	2.4
313.24017	4.5
313.27377	42.8
332.26736	6.0
448.70770	2.4
519.40485	100.0
520.41187	3.8
571.22278	2.8
575.49585	5.2
662.57141	2.9
698.50763	2.9
717.46619	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	714.5515
Annotation	Pinelloside
Peak:m/z	Relative Intensity
53.03935	2.2
55.05519	6.2
56.05053	4.1
57.07059	2.5
60.04514	2.0
62.45045	0.7
65.03936	1.4
67.05509	13.3
69.03423	0.9
69.07075	6.2
70.06583	2.0
70.75712	0.7
70.76042	1.1
71.08631	1.9
79.05498	10.9
80.05016	3.4
81.03423	0.7
81.05802	1.9
81.07059	11.5
82.06585	7.1
83.08620	4.2
85.02903	2.0
85.10153	0.8
91.05495	9.0
93.07050	11.2
94.06575	20.5
95.04938	0.8
95.07365	8.4
95.08616	8.2
96.08139	5.3
97.02898	0.9
97.10167	3.2
105.07020	5.7
107.08588	6.1
107.64053	0.7
108.08117	3.2
109.10146	2.8
119.08594	6.3
121.10165	4.6
122.09676	2.2
123.11671	1.2
133.10143	3.9
135.10471	1.3
135.11682	3.7
136.11212	1.4
147.11699	1.0
149.13297	1.7
161.13329	0.7
170.30884	0.7
175.14857	0.8
233.22581	4.2
234.22237	1.1
245.22624	5.0
250.25299	9.2
254.24854	1.0
262.25320	100.0
263.25684	1.2
272.25830	7.0
280.26398	7.0
386.68073	0.7
504.47693	4.9
516.47766	27.1
517.47797	1.3
518.49536	6.1
534.48889	15.6
615.45251	0.7
696.53821	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	715.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27716	1.1
56.97021	0.9
58.36545	0.9
59.53418	1.0
61.85012	0.9
71.50587	1.2
98.97576	1.0
117.32605	1.0
146.06013	3.1
153.01762	1.7
153.34010	0.9
185.04196	2.6
188.07076	3.2
205.09758	1.4
206.05516	3.9
207.06268	4.6
236.68916	0.9
238.28493	1.0
241.03854	1.2
346.16382	1.2
369.11581	100.0
370.11902	3.0
692.39868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28205	0.9
53.03941	2.8
53.49447	0.9
55.01876	6.1
55.05513	18.9
57.03440	10.8
57.07072	1.5
57.65230	1.0
59.04995	4.0
61.02922	3.7
65.03934	2.5
66.93826	0.9
67.05508	91.3
67.85442	0.8
68.05814	1.6
69.03441	7.9
69.06728	1.7
69.07073	22.5
69.85231	1.8
69.85652	4.2
71.04996	4.9
79.05492	23.0
81.03417	6.4
81.07062	29.2
83.04965	3.9
83.08629	11.1
85.02905	2.5
85.06541	2.7
86.09689	1.2
91.05486	23.3
93.07047	20.1
95.04967	7.0
95.08617	13.1
97.02889	8.4
97.06534	3.3
97.10184	10.6
105.07034	12.7
107.04968	5.5
107.08603	11.1
109.02892	1.6
109.06542	2.4
109.10161	73.1
110.11736	1.0
111.08074	4.3
114.90637	1.0
117.06998	7.3
119.08587	16.2
121.06484	3.1
121.10173	5.8
123.08068	3.7
123.11702	1.4
125.00011	1.3
125.09637	8.5
129.07007	3.6
131.08580	5.4
133.06488	2.8
133.10139	6.4
134.07295	1.7
135.08054	5.1
135.11708	1.6
137.09657	5.1
143.08560	3.9
143.40266	1.1
145.06532	1.0
145.10094	4.9
147.08069	6.2
147.11668	2.4
149.09691	1.8
149.13257	2.4
151.11183	1.9
153.09154	1.1
155.10641	5.5
157.10139	2.1
159.11678	2.4
161.09665	4.3
163.11177	2.1
165.09125	1.1
171.11676	2.2
173.11745	15.8
175.11252	2.3
177.12819	1.6
184.07384	8.3
189.11209	3.5
189.12762	1.1
193.12216	1.7
205.12236	2.4
211.13272	2.0
223.13307	15.9
227.12769	4.4
229.14362	75.6
230.14850	1.2
249.14832	4.1
253.14395	4.0
267.15887	1.8
273.18500	15.5
291.19556	92.5
292.19913	2.5
309.21140	1.4
339.82333	1.0
347.22079	3.2
365.23242	39.8
366.23898	1.6
390.85468	1.0
399.23648	1.4
421.26022	1.1
425.25256	1.9
439.26953	3.2
475.30283	1.9
501.32050	2.7
519.33203	100.0
520.33899	4.6
557.38281	1.2
598.31580	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03329	0.3
50.43187	0.2
53.03935	0.7
55.01865	1.0
55.05512	4.3
56.05021	0.7
57.03436	1.4
57.07060	0.8
58.06607	0.6
59.04993	0.3
60.08163	5.6
61.36474	0.2
65.03929	0.4
67.05506	10.0
68.74892	0.2
69.03436	0.4
69.07070	2.5
69.30390	1.8
69.30798	0.4
71.04991	0.6
71.07375	3.4
71.08632	4.0
75.43478	0.3
79.05069	0.5
79.05491	6.2
79.63546	0.2
80.05851	0.2
81.03431	0.9
81.06593	0.6
81.07059	8.6
83.04991	2.1
83.08608	2.0
83.73370	0.3
85.06535	0.6
86.09709	32.1
91.04908	0.3
91.05482	5.6
93.06485	0.5
93.07050	6.9
95.04980	2.3
95.08057	0.4
95.08607	4.7
97.06560	1.4
97.10168	1.7
98.98474	3.6
99.08092	3.3
104.10750	2.2
105.04507	0.3
105.07034	4.0
107.04960	0.5
107.08608	3.2
109.06502	0.8
109.10172	3.1
111.04406	0.3
111.08104	1.2
117.07020	1.3
119.08585	2.7
121.06522	0.7
121.10162	2.1
123.08024	0.4
123.11707	0.6
125.00008	22.4
125.09652	1.3
129.05499	0.3
129.06992	0.7
131.08569	1.6
133.10130	1.9
135.08038	0.4
135.11720	1.7
137.06015	0.4
137.09608	0.6
139.11174	1.6
143.08598	0.5
145.10138	0.8
147.11667	1.4
149.09622	0.3
149.13251	1.2
151.11169	3.1
152.06424	0.3
155.10701	0.3
157.10130	0.7
159.11711	0.9
161.13257	1.1
163.11179	1.2
163.14745	0.3
165.12764	0.6
171.11661	0.4
173.11751	0.7
175.14847	0.5
177.12775	0.7
179.14311	0.6
184.07346	100.0
185.07747	0.8
189.11227	0.3
195.13853	0.8
199.13153	0.3
221.15448	0.3
227.12758	0.6
229.14400	0.6
251.95491	0.3
253.18002	0.4
259.20599	0.4
267.15952	0.3
269.17419	1.4
277.21658	1.4
293.21133	1.2
351.25278	2.6
360.70422	0.3
365.18787	0.3
367.24884	0.5
423.27496	0.4
447.31274	0.5
529.38788	0.6
545.38300	1.3
564.47540	0.3
580.58038	0.3
627.45337	0.3
714.47058	4.7
715.47015	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01866	0.8
55.05265	0.4
55.05512	4.9
56.05019	0.8
57.03441	1.9
57.07065	1.0
58.06607	0.3
59.05004	0.3
60.07883	0.5
60.08166	6.7
63.31573	0.3
65.03944	0.5
67.05508	10.7
69.03431	0.6
69.07075	3.0
71.04982	0.7
71.07371	3.4
71.08638	4.6
71.51200	0.3
76.14149	0.2
79.05494	7.3
81.03410	1.3
81.06590	0.5
81.07059	10.1
83.04985	2.2
83.08627	2.3
86.09708	30.8
91.05484	6.1
93.07050	8.0
95.04969	2.5
95.08607	5.6
97.06541	1.5
97.10154	2.2
98.98466	3.1
99.08099	3.6
104.10753	2.0
105.04494	0.4
105.07046	3.6
106.39989	0.3
107.04947	0.6
107.08598	3.7
109.06513	0.9
109.10146	2.9
111.08073	0.7
115.05553	0.3
117.07011	1.8
119.08589	2.9
121.06522	0.5
121.10156	2.1
123.08046	0.3
123.11723	0.8
125.00008	21.2
125.09637	1.3
129.05446	0.3
129.07005	0.8
131.08559	2.0
132.24881	0.3
133.06442	0.3
133.10153	2.0
135.08049	0.6
135.11674	1.7
137.05991	0.5
137.09608	0.8
139.11171	2.2
143.08562	0.5
143.52209	0.3
145.10135	0.9
147.11676	1.2
149.13272	1.8
151.11188	3.5
157.10162	0.5
159.11710	1.3
161.13243	1.7
163.11163	1.3
163.14728	0.5
171.11679	0.5
173.11757	1.0
173.13171	0.5
175.11189	0.5
175.14809	0.3
177.12665	0.4
179.14302	1.1
184.07346	100.0
185.07631	0.8
185.13206	0.3
189.11238	0.4
195.13820	1.0
199.13211	0.3
227.12859	0.8
229.14293	0.5
259.20535	0.6
269.17462	1.7
277.21591	2.0
293.21146	1.1
351.25302	2.7
367.24823	1.0
375.61182	0.3
529.38953	0.7
545.38098	1.8
683.26904	0.5
714.47192	4.7
715.29205	0.8
715.47351	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65678	0.1
52.99060	0.1
53.03933	0.2
55.01876	0.2
55.05513	1.0
56.05032	0.7
57.03442	0.3
57.07069	0.2
58.06606	0.3
59.05009	0.2
59.07384	0.2
60.08166	6.5
63.72142	0.1
67.05182	0.2
67.05510	2.9
69.07059	0.7
69.32971	1.4
70.06596	0.2
71.04993	0.2
71.07375	3.4
71.08640	0.8
74.17467	0.2
79.05502	1.8
81.03414	0.2
81.07066	2.6
81.17014	0.2
83.04974	0.5
83.08627	0.6
86.09710	31.5
91.05488	1.5
93.07043	1.7
95.04977	0.4
95.08606	1.4
97.06525	0.3
97.10151	0.3
98.21332	0.6
98.98468	3.8
99.08128	0.7
104.10744	2.3
105.07046	0.9
107.08591	0.8
109.10182	0.8
117.07005	0.3
119.08578	0.6
121.10148	0.7
125.00010	22.2
125.09651	0.4
129.07066	0.2
131.08534	0.5
133.10136	0.6
135.08087	0.2
135.11699	0.3
137.09683	0.2
139.11205	0.3
145.10149	0.2
147.11714	0.2
149.13272	0.4
151.11183	0.6
159.11678	0.2
161.13272	0.3
163.11131	0.2
179.14334	0.2
179.46162	0.2
184.07347	100.0
185.07719	0.6
222.31319	0.2
227.12839	0.2
269.17545	0.4
277.21680	0.5
293.21307	0.2
351.25323	0.6
351.29770	0.1
452.24377	0.2
466.19351	0.2
487.38470	0.2
545.38165	0.2
563.20294	0.2
573.47632	0.2
714.46936	5.2
715.46844	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	713.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
55.05507	1.3
56.64249	0.4
57.03436	1.8
59.05004	0.8
61.02929	3.5
67.05510	5.0
69.03432	2.8
69.07075	0.9
69.41445	0.6
71.04999	1.5
73.02925	3.4
79.05499	3.2
81.03427	4.1
81.07071	4.6
83.04985	0.9
83.08619	1.2
85.02907	4.7
85.06525	0.7
91.03957	2.7
91.05473	2.8
93.07040	4.8
95.04989	1.4
95.08624	2.5
97.02913	3.7
97.06530	1.2
97.10172	0.6
99.04462	0.6
101.02399	1.3
103.70751	0.4
105.07040	2.2
107.04957	0.6
107.08604	2.5
109.06559	0.6
109.10164	0.6
110.79012	0.4
111.08089	1.1
112.79810	0.4
117.07056	0.6
119.08583	1.4
121.10125	2.6
127.03930	1.4
129.07033	0.7
131.08598	1.8
133.10146	1.3
135.11803	0.5
145.10176	0.4
147.11716	1.5
148.22386	0.5
149.09660	1.7
149.13284	2.0
159.11690	1.2
168.69209	0.5
175.11246	0.8
184.07422	0.4
185.04305	0.6
193.12285	1.3
195.13869	0.6
199.13351	0.5
230.24893	0.7
235.13130	0.9
243.08437	2.4
269.17535	0.6
283.06497	0.5
283.15115	3.8
339.17886	0.7
453.20990	9.9
469.20544	1.3
501.23056	7.6
502.23065	0.6
511.91318	0.5
713.37256	100.0
714.37555	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.05517	1.5
57.03444	2.3
57.07065	0.5
61.02928	4.4
67.05512	6.1
69.03448	2.2
69.07077	1.0
71.05003	3.5
71.51574	0.6
73.02915	3.1
79.05501	4.6
80.05909	0.5
81.03427	4.9
81.07060	7.1
83.05019	0.8
83.08638	1.6
85.02914	5.3
85.06580	1.0
91.03962	2.6
91.05495	4.8
93.07043	3.7
95.04997	1.1
95.08641	2.0
97.02895	4.8
97.06543	1.1
99.04459	0.9
101.02409	2.2
102.16203	0.5
105.07049	2.7
106.85627	0.5
107.04990	0.8
107.08633	2.3
109.02928	1.3
109.10216	2.2
111.08099	0.8
117.07042	1.1
119.08617	1.5
121.10181	0.6
127.03973	1.7
131.08617	1.4
133.10156	2.7
135.08145	0.6
135.11769	0.7
145.10179	0.8
147.11694	1.2
149.09760	0.6
149.13354	0.6
151.11206	0.8
157.10268	1.3
157.13058	0.5
175.11218	0.7
185.04276	0.7
193.12386	1.5
195.00310	0.5
196.68130	0.5
243.08470	2.5
251.12585	1.1
252.63148	0.5
267.15875	1.1
283.06366	0.8
283.15369	0.8
413.17960	0.7
453.20953	1.3
469.20517	5.8
485.23636	6.2
501.23282	0.9
641.31891	5.3
713.37335	100.0
714.37451	5.0
733.86218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01874	1.4
55.05505	2.2
57.03428	2.6
57.07074	0.9
61.02928	4.7
63.24087	0.5
65.28407	0.7
67.05498	2.9
69.03432	3.1
69.07077	1.2
70.95274	0.8
70.95605	1.0
73.02933	3.7
79.05482	2.4
80.62450	0.5
81.03434	3.5
81.07062	2.6
83.04986	1.7
83.08606	0.9
85.02913	6.4
86.09720	2.1
91.03963	2.9
91.05481	2.6
93.07068	2.4
95.04957	1.7
95.08612	1.4
97.02904	4.0
97.06553	1.0
99.04449	1.2
101.02374	1.5
105.07027	1.2
107.04902	0.7
107.08610	1.3
109.02903	1.0
109.10150	1.2
119.08573	1.3
121.10174	1.8
123.04259	0.7
124.99976	1.4
125.09639	1.2
127.03927	2.1
129.05489	1.9
129.06972	0.6
133.10159	1.3
135.11676	0.7
137.06041	0.7
147.11681	0.7
157.10139	1.4
175.11188	1.5
181.04799	2.1
184.07326	4.2
185.04251	5.7
185.07803	1.4
193.12271	1.2
195.06430	0.9
199.05804	1.1
199.13232	1.0
201.03749	2.4
203.05383	0.9
211.13397	1.5
221.11465	0.8
227.05307	0.9
227.12730	0.7
241.07091	0.9
243.08417	4.9
251.12524	3.2
265.14026	1.2
271.30060	0.6
277.14282	2.6
291.15707	1.8
301.08948	18.0
301.12213	1.1
315.10452	4.5
327.10355	1.3
341.12201	1.1
343.13776	1.1
343.59225	0.7
349.16202	4.0
355.13834	0.9
357.15356	1.4
363.17819	0.7
367.17532	1.2
369.15543	0.9
371.16599	1.4
373.11087	7.3
383.16837	3.1
385.18326	10.1
387.12689	1.6
395.16943	2.7
401.14337	1.0
408.71652	0.8
423.19977	0.9
429.17590	2.5
433.25803	2.5
439.19675	2.2
443.18909	5.7
457.20490	2.2
467.18567	1.0
469.20496	18.7
470.21164	1.0
479.26071	1.1
481.48010	0.7
485.19547	5.4
499.21085	4.0
511.21756	1.2
527.28284	1.5
528.21863	6.4
541.22675	8.2
555.24402	2.1
569.25073	3.0
583.30322	2.5
595.30939	0.9
597.25800	0.6
611.30829	7.1
612.30688	4.2
625.31873	1.3
641.31262	1.4
651.33252	1.3
653.31372	1.3
667.32721	2.1
668.33862	0.7
695.33008	3.2
696.32532	0.8
713.33435	100.0
714.33569	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	712.536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82360	0.9
53.03952	2.3
55.05519	5.7
56.05030	3.0
57.07084	6.7
60.04513	1.3
65.03938	1.2
67.05511	15.6
69.03412	1.7
69.07056	5.9
69.19292	11.6
70.06591	1.5
71.08628	4.1
79.05492	12.4
80.05027	2.7
81.07063	13.9
82.06590	7.6
83.08616	4.6
85.02895	3.4
85.10192	1.7
91.05487	18.6
93.05775	1.4
93.07053	11.9
94.06574	28.8
95.04989	1.9
95.07376	6.0
95.08605	9.0
96.08157	3.1
97.02866	1.3
97.10186	1.9
98.21558	1.7
105.07035	13.4
106.06551	3.7
107.07350	1.2
107.08584	6.3
108.08125	9.5
109.10163	5.7
110.06051	1.4
117.07030	7.1
119.08617	11.5
120.08076	5.3
121.10164	4.7
122.09682	4.8
123.11746	1.1
123.98200	1.2
131.08600	7.6
132.08104	3.9
133.08876	2.5
133.10130	7.6
134.09648	8.1
134.10515	1.3
135.11670	2.7
145.10143	5.8
146.09619	2.7
147.10445	3.8
147.11604	2.2
148.11217	2.9
149.13177	1.5
159.11710	1.9
161.13251	1.4
163.14824	1.2
173.13200	2.6
184.07391	1.2
187.14883	1.3
196.66020	1.1
203.17934	1.7
220.20432	1.3
231.21046	9.9
243.21088	7.7
248.23744	7.6
260.23758	100.0
261.24274	2.4
272.25769	3.3
278.24777	7.0
502.46188	5.8
514.46155	8.2
516.47552	3.8
532.47284	21.0
600.50287	3.3
601.44739	1.4
694.53125	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	712.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
55.79720	0.2
56.05035	1.0
57.03431	0.2
58.06362	0.2
58.06634	0.6
60.08164	6.9
67.05492	0.9
69.07053	0.3
70.06583	0.2
71.07374	4.0
74.49842	0.2
79.05495	0.7
81.03429	0.4
81.07069	0.8
83.04960	0.2
83.08617	0.2
86.09708	33.8
87.10032	0.2
91.05456	0.4
93.07059	0.7
95.04966	0.2
95.08621	0.6
98.98463	3.6
103.11230	0.2
104.10738	2.6
105.07049	0.3
107.08591	0.6
109.06521	0.2
109.10180	0.3
110.01163	0.2
119.08570	0.4
121.10142	0.3
125.00005	23.8
125.09666	0.3
133.10168	0.3
135.11676	0.2
143.01083	0.3
143.30859	0.2
171.10228	0.2
184.07341	100.0
185.07684	0.9
229.48598	0.2
236.78944	0.2
362.81339	0.2
500.31140	0.2
712.45502	2.7
713.45685	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01869	3.8
55.05511	17.0
55.16962	1.3
56.34300	1.2
57.03440	19.9
57.07077	2.4
61.02920	3.1
65.03949	2.8
67.05509	65.0
69.03452	1.8
69.07071	13.4
69.47360	7.8
71.01366	1.9
71.04994	4.2
79.05498	51.9
80.37609	1.1
81.03427	4.6
81.07061	44.0
83.04980	11.2
83.08626	7.8
85.02909	3.5
85.06548	3.7
86.45680	1.1
91.05485	23.2
93.07049	62.3
95.04984	4.8
95.08611	28.6
95.09177	2.1
95.23423	1.1
97.02908	1.6
97.06526	10.4
97.10170	9.0
99.08116	2.5
105.07037	12.9
107.04965	1.4
107.08599	42.4
109.06503	1.5
109.10159	15.4
111.08079	3.0
117.06987	6.0
119.06123	1.3
119.08586	10.7
119.53638	1.0
121.06501	1.5
121.10139	16.1
123.08076	1.4
123.11698	2.8
125.09701	1.5
129.07091	1.2
131.08569	6.0
133.10155	8.7
134.15431	1.1
134.98004	1.1
135.11703	51.5
136.12001	1.4
137.09647	2.8
137.13263	1.4
143.08510	1.2
145.10110	12.5
147.11696	4.4
149.13310	5.4
151.11234	2.6
153.12775	4.9
157.10048	1.2
159.11725	3.3
161.13275	3.3
163.11205	7.4
163.14861	1.6
173.13274	3.6
175.14792	1.5
181.12260	13.7
184.07336	3.4
243.21182	4.0
253.14389	2.6
255.15921	100.0
256.16306	2.4
258.08942	2.1
261.22137	12.1
317.24496	2.6
335.25809	44.8
423.32550	2.9
441.33755	1.5
467.37836	1.5
515.37329	73.2
516.37573	3.2
533.38477	2.7
534.73395	1.2
601.33649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.8
55.01867	6.4
55.05510	31.0
57.03432	13.8
57.07061	12.4
67.05508	100.0
69.03453	4.2
69.07075	29.7
71.04988	4.9
71.08632	37.8
79.05499	54.0
81.03423	20.7
81.07061	80.1
81.60880	4.3
83.04984	15.5
83.08624	16.4
87.04507	5.0
91.05479	48.2
93.07045	62.4
95.04955	9.7
95.08616	39.9
97.06528	9.8
97.10168	10.3
98.21469	8.6
99.08094	18.7
105.04559	4.7
105.07043	30.9
107.04930	7.3
107.08601	36.6
109.06544	6.6
109.10167	61.2
113.09680	4.0
117.07008	7.6
119.08577	33.2
121.10144	29.4
123.11638	5.5
125.09634	5.6
127.31002	4.3
131.08618	12.2
133.09192	3.8
133.10133	20.8
134.98274	5.0
135.11699	31.7
137.09569	5.0
145.10103	7.2
147.11749	8.5
149.13304	8.6
151.11165	10.6
161.13263	13.1
163.11118	8.5
173.11746	14.0
179.14311	94.0
226.06680	4.0
229.14400	41.3
232.95300	4.4
267.15881	4.9
277.21628	56.7
316.64261	4.0
351.25403	33.9
399.23828	27.4
505.35031	43.9
612.47076	7.8
675.44659	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.484
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.2
53.03940	9.4
55.01876	11.4
55.05270	3.0
55.05515	38.2
57.03445	28.6
57.07061	5.3
58.47284	2.2
59.05017	3.1
60.08170	2.7
65.03942	6.6
65.22897	2.0
67.05510	87.4
68.05830	3.1
69.03439	6.8
69.07076	42.9
71.04990	19.3
71.08630	3.5
71.51117	3.4
79.05500	84.4
81.03421	32.3
81.06590	4.8
81.07066	100.0
82.07402	2.9
83.04978	17.4
83.08638	21.9
85.02936	5.5
85.06531	9.7
86.09713	5.6
87.04452	2.5
91.05489	77.6
93.07054	67.6
94.04160	2.9
95.04980	29.4
95.08617	48.0
96.94494	2.2
97.06523	28.3
97.10165	13.3
99.08105	18.0
100.11237	2.3
103.05460	3.3
105.04514	3.7
105.07037	49.1
107.04964	13.7
107.08607	42.5
109.06527	43.2
109.10173	21.7
111.04446	6.1
111.08089	10.3
113.06018	7.1
115.05437	4.6
115.07568	3.6
117.07030	23.5
119.08589	37.1
121.06521	12.5
121.10162	28.1
121.29689	2.4
123.08073	38.0
123.11713	3.6
125.00002	6.3
125.06028	2.7
125.09621	12.9
127.07577	8.5
128.06227	4.3
129.06998	15.2
131.08586	32.0
133.06453	3.7
133.10136	25.2
135.08067	12.8
135.11687	10.5
137.09642	6.5
139.11188	9.6
141.06958	2.8
143.08582	17.1
145.06427	3.2
145.10126	25.0
147.08049	4.2
147.11688	15.3
148.12018	2.5
149.09637	13.2
149.13318	4.2
151.11154	3.4
153.12779	2.9
155.08612	4.8
157.10176	7.4
159.08101	5.7
159.11694	13.9
161.09622	8.8
161.13271	9.9
162.84200	2.3
163.11195	12.1
165.09178	2.3
165.12791	4.4
167.10806	3.3
169.10133	2.6
171.11691	10.0
173.11887	2.4
173.13235	5.2
175.11159	4.7
175.14925	4.1
177.12766	6.6
179.14357	3.5
184.07352	22.6
185.13316	6.8
187.11203	4.4
189.12805	3.1
193.12273	3.0
203.14410	3.8
207.13930	2.4
211.13245	3.0
213.14835	4.6
219.13824	4.0
221.15401	7.2
223.13345	4.2
227.12859	5.5
228.13354	2.5
229.14320	7.2
241.14438	4.3
257.19138	3.8
269.17502	3.2
273.18430	12.3
275.19992	14.0
287.05524	10.3
291.19516	18.7
293.21152	5.2
349.23740	5.3
351.24860	3.9
367.24677	3.2
538.38141	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	710.396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
55.01873	5.7
55.05515	11.1
56.67259	1.2
57.03447	7.8
61.02916	2.2
67.05509	35.3
69.03439	4.5
69.07085	7.0
70.22082	1.6
70.22420	4.6
71.04993	7.5
79.05499	16.5
81.03423	38.3
81.07065	33.3
83.04977	6.9
83.08622	10.2
85.02910	4.9
85.06543	2.9
86.09711	8.0
91.05487	30.8
93.07053	18.9
95.04971	12.6
95.08598	6.8
97.02898	3.5
97.06535	4.8
97.10202	3.1
99.04446	1.9
105.07037	22.0
107.04960	4.3
107.07888	1.7
107.08599	20.3
109.02899	1.7
109.06528	5.2
109.10165	39.5
110.10533	1.3
111.04459	2.4
111.08085	4.0
113.06002	2.1
115.05383	1.4
117.07020	2.8
119.08566	8.8
121.06463	1.5
121.10156	4.2
123.04449	1.2
123.08093	1.8
123.11715	6.3
125.00008	3.6
125.09660	1.1
125.63277	1.3
127.03914	1.2
129.07028	5.3
131.08583	6.5
133.10146	46.2
135.11708	3.4
137.09636	2.7
145.10120	2.0
147.00304	1.2
147.08014	1.9
147.11659	3.7
149.09601	3.0
149.13287	2.3
151.11217	19.0
157.10178	4.9
163.11212	1.8
165.12924	1.3
169.12277	3.4
175.11250	4.9
184.07356	26.4
193.12270	13.2
211.13345	5.5
227.12866	1.7
229.14423	2.6
253.14372	100.0
267.15924	43.5
269.17493	4.8
271.15405	23.6
283.15488	2.5
285.16934	6.7
286.17355	2.0
340.27213	2.2
353.87323	1.3
399.29010	1.4
400.29367	2.6
423.27515	2.2
437.25565	1.8
445.25912	21.2
463.26953	58.8
464.27594	2.3
477.28516	4.3
495.29187	8.8
513.30511	1.6
710.39166	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	710.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.2
55.05517	0.6
56.05039	0.8
57.03438	0.5
58.06615	0.3
59.07407	0.1
60.08168	6.5
62.22652	0.1
67.05505	1.1
69.07063	0.2
71.05002	0.3
71.07379	3.5
77.09754	0.2
79.05491	0.9
81.03419	3.9
81.07056	1.2
83.04989	0.6
83.08624	1.0
84.08138	0.2
85.02908	0.8
86.09711	29.1
87.10069	0.2
91.05484	1.3
93.07048	0.8
95.04978	1.3
95.08603	0.5
97.02919	0.2
97.06557	0.2
97.10185	0.3
98.98466	3.5
102.36009	0.2
104.10750	2.1
104.78326	0.2
105.07047	1.0
107.04963	0.3
107.08601	0.4
109.06506	0.3
109.10162	0.3
111.04480	0.2
111.08070	0.4
112.74167	0.1
117.07027	0.2
119.08602	0.7
121.10154	0.6
125.00011	20.7
125.09635	0.4
127.83101	0.2
129.07010	0.4
131.08592	0.5
133.10156	0.6
137.09583	0.2
145.10101	0.2
147.08080	0.2
147.11696	0.7
149.09627	0.5
157.10143	0.7
165.12794	0.2
174.80382	0.2
175.11214	0.5
184.07349	100.0
185.07712	0.6
193.12224	1.2
194.99438	0.2
211.13353	1.0
229.03444	0.2
233.15303	0.2
267.15936	2.7
285.16907	1.2
286.17514	0.2
367.22708	0.3
385.23770	0.6
422.48102	0.2
450.22491	0.2
459.27451	2.4
476.27420	0.2
477.28522	4.1
495.29099	0.5
523.78088	0.2
660.35144	10.3
661.35016	0.7
670.95349	0.2
711.32397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.1
55.01870	2.3
55.05514	9.7
57.03439	10.9
65.03934	1.1
66.38696	0.8
67.05507	15.6
69.03422	3.3
69.07059	3.8
69.23348	1.5
69.23758	6.1
71.04989	2.7
79.05492	15.2
81.03420	67.5
81.07063	17.6
83.04996	6.8
83.08623	17.9
85.02914	9.1
85.06555	1.6
86.09711	3.7
91.05487	21.2
93.07043	11.7
95.04970	22.1
95.08619	6.5
97.02896	3.1
97.06525	3.0
97.10191	4.7
99.04439	1.1
105.06397	1.4
105.07036	16.3
107.04956	8.0
107.08598	6.1
109.06548	4.4
109.10156	3.1
111.04441	2.4
111.08063	7.9
115.05475	2.1
117.07037	2.6
119.04945	1.3
119.08586	13.5
121.06499	3.2
121.10154	7.1
123.04453	1.3
123.08084	2.3
123.11667	1.0
125.00012	3.6
125.09621	1.9
129.07014	9.4
131.04924	1.6
131.08575	11.3
131.90021	0.9
133.06496	3.6
133.10144	6.9
135.08109	1.0
137.09622	1.9
139.11150	0.8
139.35724	1.0
142.07762	1.8
143.08534	1.1
145.06500	3.5
145.10143	1.4
147.08051	3.4
147.11682	7.9
149.09656	6.2
157.10141	9.5
159.11696	1.0
163.11205	1.7
165.12752	3.2
173.09537	0.9
175.11215	10.7
184.07336	13.4
189.11234	1.8
193.12253	29.6
204.43381	0.9
211.13289	18.1
219.13771	1.2
227.12645	1.8
233.15326	1.0
249.14838	2.4
255.13953	1.3
259.15479	1.4
267.15927	100.0
268.16260	2.4
273.14752	3.9
285.16949	16.0
301.14297	0.9
309.17288	1.0
313.69403	0.8
323.18353	1.2
341.21054	1.4
349.21567	3.7
367.22720	11.8
385.23727	13.5
403.24734	3.3
405.24075	1.2
415.24710	1.5
433.25916	14.1
436.81018	0.9
441.26334	7.1
459.27451	69.7
460.27805	1.9
477.28476	46.2
478.29156	2.0
495.29202	2.3
739.48730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00043	0.9
53.03939	1.6
55.01865	2.4
55.05516	6.5
55.78018	0.9
56.62593	0.9
57.03444	9.6
61.93480	0.9
65.03927	1.2
67.05513	29.6
67.84586	0.8
69.03423	1.8
69.06725	1.1
69.07069	10.6
69.76269	0.8
71.04986	3.0
79.05495	18.5
81.03424	45.5
81.07061	35.6
81.29107	0.8
83.04973	6.1
83.08630	14.1
85.02914	1.2
85.06557	3.1
91.05487	17.0
93.07048	26.1
95.04974	13.3
95.08616	7.4
97.02895	1.0
97.06541	4.1
97.10191	1.9
99.08096	1.7
103.58250	0.9
104.88548	0.9
105.07052	8.1
107.04936	2.9
107.08600	15.2
109.06515	3.1
109.10175	3.1
111.08086	7.4
117.07044	3.5
119.08598	7.8
121.06505	1.7
121.10137	9.5
123.08041	1.9
123.11753	1.6
124.07354	0.9
125.09621	1.3
129.06998	3.6
131.08594	7.4
133.06503	1.5
133.10144	7.4
135.07994	0.9
135.11691	3.3
137.09615	1.0
139.11220	1.0
142.07823	1.8
147.08038	1.6
147.11684	5.3
149.09598	2.3
149.13275	12.9
157.10138	5.9
159.11728	6.9
163.11159	1.4
175.11211	5.2
177.12794	3.3
184.07338	1.3
184.08855	1.0
193.12270	11.6
195.13893	4.6
195.77129	0.9
211.13333	2.3
249.14897	1.1
267.15927	47.4
267.78397	0.9
268.16391	2.3
269.17490	52.5
270.17691	0.9
304.14993	1.1
312.55292	0.9
314.85419	0.8
352.57245	1.0
417.25977	1.2
435.27472	4.6
443.27872	1.4
453.28296	1.9
461.29028	100.0
462.29431	4.8
479.29922	3.0
511.32953	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	710.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58586	0.2
53.03936	0.3
55.01855	0.4
55.05515	1.1
55.05724	0.2
55.26988	0.2
56.05027	0.6
57.03421	0.6
58.06579	1.5
59.07385	1.1
60.07895	0.4
60.08168	5.7
61.02921	0.5
67.05508	2.8
69.03413	0.5
69.07056	0.8
70.06583	0.3
70.81944	0.5
71.04974	0.6
71.07380	3.2
73.02919	0.3
79.05490	2.0
81.03417	3.1
81.07063	2.8
83.04958	0.9
83.08627	1.1
84.08115	0.2
85.02911	1.3
85.06524	0.3
86.09709	27.0
87.10036	0.4
91.03920	0.2
91.05486	2.5
92.05817	0.2
93.07056	1.7
95.04974	1.9
95.08623	1.0
97.02888	0.4
97.06519	0.6
97.10148	0.3
98.98467	2.9
104.10764	2.3
105.07027	1.5
107.04947	0.5
107.08577	1.3
109.06525	0.5
109.10143	0.9
111.08099	0.7
114.38841	0.2
117.07043	0.3
119.08600	1.3
121.06503	0.3
121.10151	0.7
123.11660	0.4
125.00011	17.7
125.09645	0.6
129.06987	0.8
131.08589	0.7
133.10121	0.8
135.08092	0.3
135.11658	0.4
145.10120	0.4
147.08089	0.2
147.11714	1.0
149.09619	0.7
153.00377	0.2
157.10130	0.7
163.11115	0.4
175.11177	0.7
184.07349	100.0
185.07664	1.6
193.12259	1.9
201.92438	0.2
209.11746	0.3
211.13300	1.7
222.08914	0.8
224.10422	0.4
227.12715	0.3
240.09898	0.4
249.08014	0.3
267.09018	1.2
267.15884	2.2
268.16443	0.2
283.15448	0.5
285.10165	1.9
285.16989	2.6
299.11710	0.3
301.16489	0.3
348.15109	0.5
348.65210	0.4
373.17078	0.7
395.29388	0.2
437.25085	0.2
445.25586	0.2
447.22427	0.3
459.27353	0.6
463.27222	0.4
477.28534	1.3
485.17148	0.4
495.29587	2.6
508.22974	0.3
577.33862	0.5
660.34149	0.4
710.24396	0.3
710.35291	4.9
711.36218	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	708.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.01867	3.1
55.05274	1.3
55.05516	21.4
57.03186	1.4
57.03440	15.3
57.07078	1.7
57.50510	1.1
59.05005	1.7
59.18953	1.1
61.02911	3.7
65.03937	2.4
67.05511	70.4
69.03430	6.5
69.07073	13.1
69.85826	6.8
71.04997	26.9
73.02918	2.1
79.05499	37.2
81.02931	1.3
81.03422	48.5
81.07063	100.0
82.07374	1.2
83.04984	15.4
83.08624	24.8
85.02918	19.6
85.06549	9.9
86.73013	1.3
87.04455	1.3
91.03957	1.4
91.05489	49.3
93.07047	34.5
95.04970	23.7
95.08616	19.8
97.02895	5.8
97.06544	7.5
97.10174	3.8
98.20781	1.3
98.21315	2.3
99.04497	1.3
99.08069	2.8
105.07037	29.0
107.04977	7.1
107.08600	19.0
109.06513	7.9
109.10168	10.0
111.04438	2.8
111.08077	8.3
113.06012	3.8
117.07022	6.2
119.07793	0.9
119.08579	20.5
121.06510	2.5
121.10163	10.9
123.08063	2.3
123.11717	13.6
125.09650	2.3
125.62109	1.0
127.03890	1.6
129.07022	9.4
131.08568	14.9
133.06508	3.8
133.10133	26.4
134.10410	1.3
135.08014	1.2
135.11693	4.6
137.09627	1.8
137.88115	1.2
142.07791	2.2
145.10147	2.1
147.08078	2.7
147.11691	12.7
149.09636	5.5
149.13271	4.9
151.11220	7.9
157.10117	11.6
159.11687	5.2
163.11197	3.1
165.12770	2.2
175.11192	13.2
177.12808	2.2
183.13824	3.7
187.13298	3.6
193.12259	31.6
195.13864	3.4
201.15007	1.7
205.04774	1.4
211.13287	27.9
225.14853	2.8
229.14371	2.0
243.15903	3.5
249.14729	1.2
253.14206	1.2
253.18080	1.5
257.17459	1.9
267.15948	22.5
268.40866	1.1
269.17447	19.7
285.17004	17.8
291.74521	1.1
301.20145	17.9
343.22626	1.9
349.23560	1.4
369.24054	1.3
387.25290	1.4
417.26181	1.9
435.27435	31.7
439.27008	2.3
443.27744	3.5
453.28494	62.6
454.28851	2.3
461.29013	56.1
462.29440	2.7
467.30048	12.5
479.30072	49.7
480.30301	1.8
493.31714	3.1
511.32944	39.9
525.32794	1.2
529.30255	1.2
542.56128	1.2
623.32758	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.38
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07377	2.3
53.03946	6.8
55.01876	18.2
55.05514	38.7
57.03438	38.1
57.07074	3.3
61.02924	8.6
65.03936	4.5
67.05509	57.7
69.03432	12.1
69.07072	17.6
69.52654	14.9
71.01374	3.4
71.05008	8.8
71.86736	2.2
73.02903	7.9
79.05495	49.9
81.03421	100.0
81.07058	53.2
82.04189	4.6
83.04990	32.4
83.08618	36.3
85.02914	34.5
85.06537	3.7
85.50937	2.4
91.03953	5.2
91.04916	2.9
91.05484	59.1
93.07045	40.9
95.04980	50.4
95.08618	19.7
97.02911	5.9
97.06530	8.9
97.10178	19.8
98.07304	6.3
105.07034	40.2
105.07688	3.1
107.04956	14.7
107.08593	21.2
109.06521	8.5
109.10155	13.1
111.04430	7.2
111.08096	18.7
113.06039	5.9
116.04715	17.1
117.07027	6.2
119.08595	24.2
120.09376	3.1
121.06539	5.4
121.10165	14.4
121.10932	2.5
123.08063	10.0
125.09653	16.8
129.05496	33.2
129.06981	15.7
131.08572	22.0
133.06516	4.0
133.10146	20.7
135.08046	4.9
135.11699	5.4
137.09668	3.8
143.07040	7.2
145.10152	6.8
147.08038	7.3
147.11720	21.8
149.09641	7.3
153.09085	2.5
155.08502	2.4
157.08640	13.7
157.10143	24.4
163.11192	9.1
165.12715	4.4
169.35353	2.4
171.06465	3.0
171.10204	7.0
173.11774	3.8
175.11223	23.1
189.11276	5.1
191.10715	2.9
193.12259	79.1
199.13316	13.8
209.11752	11.0
211.13295	94.6
227.12796	15.0
229.14346	3.6
247.13417	3.6
255.15945	2.2
267.15967	28.7
283.15488	8.0
285.16980	62.4
286.17133	2.6
301.16479	61.1
409.25864	3.2
427.26901	4.4
439.26822	9.8
459.27640	2.5
477.28360	6.4
493.27939	14.2
494.28793	5.8
511.29102	51.3
531.25653	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	707.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01869	1.5
55.05508	15.8
57.03426	2.3
57.07078	7.4
57.80087	0.8
61.52895	1.0
65.03937	1.6
67.05505	27.1
69.07067	15.1
70.58846	1.0
71.05013	1.6
71.08624	3.1
71.51436	1.3
79.05492	16.4
81.03408	1.8
81.07059	28.7
83.04977	1.8
83.08624	8.4
85.06544	1.9
85.10202	1.2
86.09725	1.5
87.04465	2.9
91.04916	1.0
91.05482	16.7
91.06027	1.6
93.07051	19.4
95.04980	2.1
95.08609	21.9
97.06525	3.0
97.10164	4.5
98.98454	1.8
99.08120	1.2
105.07028	21.0
107.08600	11.4
109.06509	1.3
109.10152	7.4
113.00019	38.3
115.05434	1.2
117.07014	12.3
119.08585	15.9
121.10143	8.5
123.08022	1.6
123.11705	2.7
125.00005	2.4
128.06227	3.2
129.07013	8.0
131.08572	17.7
133.10143	11.1
135.11702	4.5
137.13277	1.3
141.07010	2.4
142.07816	1.3
143.08565	14.0
144.09317	1.2
145.10127	15.2
147.08046	1.2
147.11687	5.5
149.09532	1.1
149.13266	2.3
155.08560	5.5
156.09323	1.1
157.10135	13.2
159.11691	9.5
161.13272	4.1
161.48853	0.9
165.09282	1.0
167.08577	2.2
169.02684	4.2
169.10120	7.3
170.10965	1.1
171.11688	10.4
173.13309	6.0
175.14841	3.0
177.12798	1.0
179.08627	0.9
181.10168	3.6
183.11661	4.6
184.07362	6.5
185.13269	5.4
187.03693	1.9
187.14919	5.9
189.16429	1.8
193.10217	1.3
195.11732	3.3
197.13272	4.3
199.14775	5.4
201.16412	3.1
209.13376	1.9
211.14821	4.6
213.16330	4.6
214.00171	0.9
215.18025	3.0
217.19576	1.0
223.14806	2.7
225.16371	2.3
227.18008	2.9
229.19521	2.0
239.18021	2.5
241.19592	2.9
253.19679	1.4
255.21181	1.9
257.22778	1.1
259.20532	1.2
261.22253	1.2
265.19580	1.2
269.22604	1.4
273.18472	1.8
283.24210	1.3
317.24896	1.3
325.25323	1.3
355.26367	1.1
369.27942	1.3
425.34378	1.1
476.89297	1.0
484.82092	1.0
493.43854	1.4
503.42664	1.9
515.68170	1.0
520.41223	1.2
521.43652	7.9
539.44745	7.7
559.44794	1.1
577.46136	3.5
578.52496	7.4
595.47223	100.0
596.47290	6.6
609.45026	4.6
613.48450	4.4
650.33539	1.2
707.46490	73.8
708.46643	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	707.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.7
55.01860	10.1
55.05509	41.3
57.03442	18.0
57.07066	4.0
65.03941	5.4
67.05509	83.1
67.05862	2.8
69.03416	16.4
69.07074	19.5
69.07372	3.1
69.97408	3.0
71.04988	10.8
76.60330	4.2
79.05497	57.2
81.03422	100.0
81.07056	84.3
83.04985	41.7
83.08614	27.9
85.02900	10.9
86.09705	11.6
87.04464	13.4
88.04824	4.2
91.05469	50.3
93.07047	59.3
95.04970	24.6
95.08620	45.0
97.02902	22.5
97.06533	13.7
97.10159	11.7
99.04448	8.6
99.08067	4.2
105.07033	39.6
107.04945	8.7
107.08619	26.5
109.02882	11.7
109.06509	8.4
109.10152	22.3
111.04456	27.0
111.08062	14.7
115.05484	3.7
117.07014	17.5
119.08596	32.6
121.06544	5.0
121.10152	33.4
123.08118	6.2
123.11700	13.8
125.00011	12.8
127.03876	9.8
129.05464	11.5
129.06990	14.7
131.08559	28.5
133.06491	6.1
133.10147	25.6
135.11687	11.8
137.09619	4.3
143.08566	6.9
145.10100	16.5
147.07997	5.7
147.11702	17.1
148.36510	4.0
149.09631	9.3
149.13258	6.3
153.12627	6.6
155.08592	6.2
157.10159	13.1
159.08153	3.9
159.11702	11.6
161.13254	4.8
163.11201	12.1
165.12834	5.3
171.11642	6.1
173.09724	5.2
173.11789	4.6
173.13283	10.1
175.11232	13.2
181.12224	10.5
183.11659	3.6
184.07346	43.8
185.07755	4.3
187.14705	4.6
191.10648	13.1
193.12210	33.8
201.96239	3.5
209.11760	4.1
211.13263	44.4
224.67711	3.4
227.12704	21.0
229.04460	3.8
229.14380	6.4
232.60995	3.4
261.22183	12.3
267.15814	9.3
273.21982	4.5
283.15491	9.2
285.16934	18.9
335.25888	20.9
337.27325	15.3
345.24554	3.9
355.17404	7.9
369.24240	9.8
429.21121	8.4
527.36981	7.1
545.38361	29.5
653.40656	8.6
671.41296	7.3
689.42865	18.6
707.44092	12.5
733.03168	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	707.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	14.9
55.01869	8.8
55.05519	43.6
57.03450	17.6
57.07072	4.5
61.08743	2.8
62.02479	3.2
65.03941	5.8
67.05510	88.8
69.03424	22.0
69.07074	23.3
69.23026	28.3
71.04990	11.2
79.05502	64.1
81.03421	100.0
81.07062	78.9
82.03741	3.7
83.04980	43.0
83.08624	26.2
85.02904	19.5
85.06546	5.1
86.09707	9.9
87.41238	3.0
91.05488	52.0
93.07053	58.1
95.04977	26.6
95.08616	53.4
96.10149	2.8
97.02895	25.5
97.06529	9.8
97.10172	10.1
98.98416	3.6
99.04448	9.0
99.08094	4.0
105.07037	43.6
107.04957	12.1
107.08603	35.8
109.02877	13.8
109.10159	25.6
111.04456	19.9
111.08060	12.7
115.05466	4.2
117.07020	15.5
119.08581	34.0
121.06500	4.3
121.10141	25.7
121.57306	3.3
123.08054	7.0
123.11726	7.6
124.99998	8.5
125.09688	4.9
127.03932	12.7
128.06206	2.9
129.05516	15.3
129.07008	13.4
131.08585	28.1
133.06496	9.1
133.10123	22.6
135.08078	4.1
135.11729	15.4
142.07780	3.3
143.08553	7.1
145.10101	15.5
147.11681	24.5
149.09637	11.1
149.13309	5.8
153.12787	6.0
157.06413	3.6
157.10106	17.7
159.11679	10.2
161.13329	7.5
163.11185	14.8
163.14825	4.1
165.12732	4.0
171.11743	6.0
173.09599	3.9
173.13287	6.4
175.11217	12.0
177.12711	3.3
181.12247	11.4
183.11714	4.4
184.07390	29.9
185.07706	6.9
185.13306	3.9
191.10664	10.8
193.12268	46.3
197.13388	4.2
209.11691	4.1
211.13289	69.5
227.12860	18.1
229.14343	9.6
243.21176	3.9
261.22208	13.9
267.15891	9.3
275.20355	3.7
275.23306	2.8
283.15311	9.6
285.16956	19.3
301.16684	3.3
317.24832	4.3
335.25854	38.3
337.27463	11.9
341.25089	4.2
342.17499	3.4
355.17603	4.8
369.24268	6.3
387.25256	6.3
429.21164	5.4
435.32733	5.2
527.37738	14.4
543.84473	3.6
544.86823	3.4
545.38434	38.7
563.39825	5.1
624.86371	3.9
671.41132	3.6
689.42444	18.8
707.44775	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2928
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78280	0.7
62.24277	0.8
69.85955	3.5
79.05511	1.5
85.02879	0.7
85.19425	0.8
91.05499	1.5
93.07065	2.2
94.06555	3.5
95.05021	0.9
95.07343	1.8
96.08131	5.9
98.21472	0.9
103.26350	0.8
104.78628	0.8
105.07010	0.9
107.08643	1.0
108.08148	6.0
110.09693	10.7
117.58160	0.7
120.08128	7.7
122.06029	3.6
124.07602	1.8
124.36394	0.9
130.73860	1.0
136.07607	5.9
138.09148	11.4
148.07605	2.4
152.07124	0.9
153.01830	0.9
161.09644	0.9
166.08643	14.2
169.36945	0.9
172.03894	1.9
184.07370	0.8
204.06538	1.5
205.06854	1.3
209.10707	1.2
221.10722	1.4
225.10147	1.3
226.10812	2.5
227.10979	1.0
235.08658	3.4
236.09398	3.9
237.10271	13.5
238.10812	1.2
239.11896	2.2
247.08720	1.0
248.09482	1.4
249.10246	18.1
250.07173	0.9
250.10986	3.7
251.08160	1.0
251.11806	5.4
252.12679	1.2
253.09715	3.1
255.11581	1.0
261.10318	3.2
262.11121	0.9
263.08203	1.8
263.11801	1.7
264.08969	6.0
265.09695	13.8
266.10483	2.0
267.11288	5.5
269.09439	0.8
276.09097	1.4
277.09741	13.3
278.10480	7.0
279.11313	10.9
280.12112	2.7
281.09259	2.6
281.12631	1.7
282.10175	0.9
289.09711	1.1
291.07932	1.7
291.11307	2.8
292.08737	1.2
292.12070	2.2
293.09241	19.4
293.12830	5.9
294.09912	2.2
295.10776	3.5
297.08804	1.5
297.12115	1.5
305.09204	5.5
306.10034	3.0
307.10748	8.1
308.11346	0.9
309.08792	2.3
309.12396	5.0
311.10306	2.3
311.13794	1.7
312.11038	2.0
313.11948	1.7
314.12656	1.4
319.10822	3.5
321.12305	2.0
323.10324	4.2
324.11099	2.8
325.11923	5.1
326.13062	0.9
327.13574	3.8
328.14450	0.9
333.08783	3.1
335.10178	1.1
337.11792	6.9
338.12738	1.1
339.13397	15.2
340.14136	1.5
342.12411	1.8
343.13162	1.2
351.09784	11.3
352.14478	1.5
353.11316	2.0
353.15231	1.5
354.12274	1.1
355.13077	2.5
356.13931	2.4
357.14700	1.8
358.15430	1.7
359.15991	1.1
365.11429	5.7
366.12137	2.8
369.14511	1.2
370.11517	3.1
370.15784	1.5
371.12335	2.0
372.17291	1.3
374.14734	1.4
382.11597	2.6
383.12387	3.5
384.13199	2.5
385.13953	5.9
397.13962	18.6
398.15030	4.1
399.10764	1.5
399.15518	1.3
400.16550	3.1
402.14236	1.0
412.12582	1.0
414.18469	1.6
416.16165	2.8
418.17819	5.0
426.14575	1.9
428.15997	2.1
442.17963	1.5
444.15384	2.6
446.17059	7.6
454.13922	5.6
460.19019	1.3
462.20462	1.1
472.14828	11.6
474.16772	2.2
478.19769	4.6
486.16766	1.4
490.19757	2.1
492.17535	8.9
504.17566	4.0
518.19287	7.9
520.20197	1.1
524.24109	9.0
536.20264	3.3
550.21875	100.0
551.22601	41.8
552.23090	3.1
568.22949	30.2
569.22833	1.2
588.77002	0.9
607.21429	2.2
611.25238	1.5
625.22589	6.7
639.24896	4.0
657.25610	19.0
658.25006	1.7
675.26733	6.4
707.28912	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	707.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26690	0.4
71.14984	0.8
76.94875	0.3
82.99866	1.3
85.02892	0.4
88.82899	0.3
94.99834	0.4
97.02911	0.5
98.97588	0.4
100.09044	0.4
101.00276	0.5
101.00884	6.4
109.02882	0.5
113.00847	1.4
118.13732	0.3
119.01934	8.4
122.01402	1.2
127.02422	2.4
129.00333	0.7
131.01183	0.3
131.01918	3.4
133.03435	0.4
137.01892	1.3
137.02893	0.4
139.02394	1.0
143.01907	20.7
145.03477	7.0
147.01389	0.6
149.01924	0.6
149.03020	0.3
152.02422	0.7
153.04012	0.7
155.01907	11.4
157.03485	3.6
157.27956	0.3
161.02971	12.1
163.04562	0.5
164.02393	0.7
167.01910	10.4
169.03471	2.6
171.01492	0.3
171.05051	2.3
173.02968	13.7
174.03099	0.5
175.04546	0.8
179.01852	4.1
181.03477	0.8
185.02969	33.1
186.03029	0.6
187.04550	3.1
191.03915	0.7
194.03590	0.3
197.02960	12.0
199.04599	0.5
203.03998	7.9
203.54185	0.5
204.04039	0.5
209.02924	1.7
215.04001	7.5
221.03085	0.5
221.05095	1.2
224.04646	0.5
227.04022	8.6
233.05042	0.7
239.04166	0.9
245.05086	100.0
246.05267	2.8
257.05093	6.5
263.06158	9.8
275.06125	12.1
276.06277	0.5
284.06842	1.6
286.07559	0.5
293.07242	3.3
299.06180	0.4
305.07172	11.8
306.07162	0.5
317.07657	0.4
335.08279	3.5
347.08286	1.0
365.09323	50.7
366.09549	1.4
383.10333	1.3
406.11996	0.5
407.10117	0.6
425.11462	36.1
426.11548	1.3
437.11237	2.6
455.12451	2.0
485.13785	0.7
527.13599	0.4
707.18011	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	707.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.45120	0.4
69.19672	1.9
69.20098	1.9
79.96010	0.3
82.99409	0.4
82.99891	1.3
94.99857	0.4
97.02798	0.5
101.00884	5.6
110.01385	0.5
113.00881	1.7
119.01939	8.9
120.02037	0.4
122.01393	1.5
127.02435	1.4
128.01416	0.7
129.00383	0.6
129.01308	0.4
131.01901	3.9
137.01918	1.1
137.02875	0.4
139.02446	0.4
143.01910	18.8
143.03033	0.9
144.25549	0.4
145.03479	6.0
147.01367	0.9
149.01903	0.8
152.02443	0.9
155.01900	10.9
157.03474	4.3
161.02972	13.0
163.04533	0.4
167.01894	9.3
169.03450	2.4
171.01425	0.4
171.05046	1.8
173.02977	13.0
173.53067	0.5
175.04523	0.9
179.01865	3.2
181.03497	0.5
185.02965	32.6
186.03175	0.7
187.04512	3.2
191.04041	0.7
197.02972	12.7
199.04549	1.1
203.04007	8.6
203.05739	0.6
209.03000	1.2
212.04694	0.4
215.04015	7.3
221.05029	1.1
224.04579	0.7
227.04034	7.8
227.27283	0.4
233.05185	0.4
239.03931	0.8
245.05090	100.0
246.05336	2.8
254.05579	0.8
257.05127	4.7
263.06143	11.8
275.06125	12.7
284.06696	2.2
293.07224	2.8
305.07181	10.5
313.45053	0.4
317.07153	0.7
322.37839	0.4
335.08401	3.4
347.08218	1.2
355.57770	0.4
365.09326	46.0
366.09473	1.8
383.10495	2.2
407.10376	1.0
425.11459	35.8
426.11743	1.5
437.11465	2.6
455.12381	1.9
545.13293	1.2
707.18610	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	706.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.6
57.07069	0.2
57.99261	0.1
58.06364	0.2
58.06628	0.5
59.07407	0.2
60.08167	6.2
67.05496	0.3
67.09326	0.1
70.06588	0.2
71.00678	0.1
71.07376	3.5
79.05505	0.2
79.08447	0.1
81.07037	0.2
86.09709	30.9
87.10037	0.2
98.20741	0.4
98.98467	3.6
104.10751	2.4
111.02280	0.1
120.05853	0.1
125.00010	20.7
184.07346	100.0
185.07681	0.9
255.52391	0.1
413.58118	0.1
496.34470	0.2
688.44708	0.2
706.46558	5.5
707.46448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70485	0.5
70.99844	0.3
82.99390	0.5
82.99886	1.5
84.11122	0.2
94.02109	0.3
94.99863	0.4
95.90302	0.3
96.07159	0.3
97.02910	0.4
101.00887	6.6
101.01463	0.2
109.02894	0.5
111.98963	0.3
112.89616	0.6
113.00881	1.5
113.94865	0.3
114.89300	0.3
119.01935	7.7
119.11721	0.3
122.01350	1.3
127.02429	2.2
129.00362	0.4
131.01915	4.0
137.01909	1.0
137.02989	0.9
139.02440	0.9
143.01906	17.5
145.03471	6.5
145.04536	0.5
147.01408	0.8
149.01872	0.4
149.02966	0.3
152.02498	0.5
153.03961	0.5
155.00636	0.6
155.01901	12.0
157.03481	3.6
161.02963	11.8
161.04337	0.4
163.04533	0.5
167.01917	10.2
169.03474	2.8
171.05060	2.4
173.02988	11.3
175.04468	0.7
179.01907	4.2
179.03337	0.4
181.03485	0.5
185.02971	31.8
186.03154	0.7
187.04555	3.7
191.03996	0.5
194.03513	0.3
197.02977	12.8
198.03323	0.4
199.04536	0.6
203.03984	7.2
204.03972	0.5
209.02983	1.4
215.04037	7.0
221.05092	0.6
223.00691	0.3
224.04471	0.4
227.04025	8.0
227.06195	0.5
239.04045	0.8
245.05092	100.0
246.05302	2.3
257.05099	5.6
263.03323	0.5
263.06158	11.7
275.06143	12.1
284.06778	0.7
286.07870	0.6
287.06219	0.7
293.07169	2.6
305.07217	10.4
306.07336	0.4
317.07309	0.8
335.08231	3.1
341.13428	0.3
347.08243	1.0
365.09329	44.5
366.09573	1.0
383.10367	2.0
407.10550	0.5
425.11456	33.3
426.11560	1.1
432.92535	0.3
437.11426	2.0
449.12372	0.3
455.12317	1.6
485.13510	1.0
486.29257	0.3
545.13519	0.5
652.62585	0.4
707.19080	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	706.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01870	4.2
55.05514	12.5
57.03444	12.9
57.71956	1.1
61.02914	1.6
65.03945	1.7
65.66073	1.0
67.05178	1.5
67.05507	20.2
69.03416	3.0
69.07084	5.5
69.35570	2.9
69.35998	5.2
71.04996	4.3
75.73245	0.9
76.45887	0.9
79.05068	1.8
79.05498	24.2
81.03422	89.0
81.07065	23.2
83.04985	10.6
83.08150	1.8
83.08621	24.8
85.02902	11.4
85.06543	2.0
91.05488	28.1
93.07054	16.3
95.04970	28.0
95.08601	7.6
97.02899	3.8
97.06526	4.3
97.10169	4.6
105.07033	20.3
107.04967	7.7
107.08592	9.7
109.06484	5.8
109.10160	3.9
111.04436	1.4
111.08096	8.1
111.74126	1.1
113.06069	1.4
115.05448	1.4
117.07018	3.5
119.04982	1.6
119.08576	15.8
121.06509	4.3
121.10155	9.4
123.04471	1.0
123.08080	3.7
123.11709	1.2
125.09640	2.7
129.07007	11.4
131.08583	13.6
133.06503	3.8
133.10139	9.7
135.08084	1.5
135.11694	2.6
137.06004	1.4
137.09625	2.8
142.06726	1.0
142.07796	3.7
145.06488	4.1
145.10135	4.1
147.08055	4.1
147.11691	11.9
149.09625	7.1
153.09109	1.2
157.10136	15.8
163.11206	2.2
165.12767	2.5
169.10104	1.9
171.11652	1.0
173.09586	1.0
175.11194	13.5
184.07320	1.3
189.11249	2.2
191.10631	1.0
193.12257	37.0
197.13298	1.2
209.11649	1.3
211.13292	18.0
227.12675	2.4
229.14305	1.3
233.15251	1.4
255.13751	1.7
267.15930	100.0
268.16245	3.0
273.14798	5.2
283.15381	4.1
285.16946	17.7
341.20963	1.7
349.21664	4.2
367.22635	10.2
385.23834	10.5
403.24759	2.9
405.23969	1.7
415.24838	2.5
433.25867	12.5
441.26349	5.4
459.27438	69.3
460.27664	2.3
477.28519	45.5
478.28708	2.4
491.26312	2.1
509.27731	3.2
519.29181	1.3
583.24719	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	706.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10532	1.0
53.03946	4.4
55.01890	6.4
55.05518	20.2
57.03439	10.0
57.07066	2.3
59.04998	3.1
61.02926	5.7
65.03953	2.6
67.05509	54.8
69.03437	4.9
69.07071	12.2
69.41625	8.0
71.01347	1.7
71.05000	21.8
73.02916	1.5
79.05500	33.6
79.26175	1.0
80.05838	1.6
81.03421	16.7
81.07063	97.3
82.07394	1.4
83.01354	5.4
83.04987	13.8
83.08633	13.1
85.02918	9.8
85.06545	8.2
86.09714	3.1
91.03978	1.4
91.05486	31.1
92.05826	1.3
93.07048	38.2
93.07639	2.0
94.07362	1.5
95.04978	9.4
95.08617	16.0
97.02892	6.1
97.06524	8.8
97.10157	4.8
98.21492	2.0
99.04451	4.1
105.07035	20.6
106.07358	1.7
107.04968	7.2
107.08597	21.2
108.08917	1.4
109.02907	1.6
109.06511	8.8
109.10162	10.1
111.04450	4.2
111.08102	2.6
117.07037	10.9
119.08575	9.0
120.13563	1.1
121.06527	3.9
121.10155	12.5
123.04453	1.5
123.08075	9.0
123.11705	15.4
125.09615	4.0
127.03921	1.7
129.06987	3.2
131.08578	9.0
133.10139	19.8
135.08076	3.1
135.11694	11.7
137.09636	2.3
139.11238	1.2
143.08574	1.5
145.06508	1.8
145.10144	15.6
147.08084	1.6
147.11703	3.4
149.09570	1.6
149.13281	6.7
151.11186	7.0
153.12782	2.1
155.08553	1.9
157.10280	1.2
159.11708	4.5
163.11192	20.9
171.11694	1.5
173.04611	1.0
173.09625	3.7
177.12730	2.7
181.12242	2.7
183.13733	2.9
184.07350	8.5
184.08722	1.4
187.13278	5.7
191.10672	2.5
193.12100	1.1
195.13867	4.2
209.11777	4.4
211.13254	1.5
225.14951	1.2
227.12749	2.1
229.14145	1.4
241.14468	1.5
253.14227	1.7
257.17459	1.6
265.14401	2.3
267.15945	3.3
269.17508	15.2
270.17972	1.8
275.20190	3.2
283.15417	22.4
301.20129	14.5
315.17880	1.7
349.23929	1.2
353.25327	1.2
404.86594	1.2
411.27713	1.8
451.26932	97.7
452.27420	3.1
459.27386	6.6
465.28555	10.6
477.28528	52.2
509.31152	100.0
510.31192	3.8
537.85657	1.1
544.36896	2.0
688.41376	1.6
706.02771	1.4
706.26801	1.4
706.42218	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	706.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23458	1.5
53.03942	4.7
54.33689	1.5
55.01875	8.1
55.05517	23.5
57.03434	12.8
57.07076	2.1
59.05009	2.4
61.02926	3.3
65.03922	3.3
67.05511	77.4
69.03423	6.6
69.07069	14.8
69.76678	9.0
71.05000	31.7
73.02901	2.8
79.05494	46.7
81.03428	17.0
81.07059	95.0
82.07407	2.3
83.01328	2.0
83.04990	11.5
83.08625	19.7
85.02913	4.7
85.06548	7.4
91.05483	37.3
92.05853	2.5
93.07047	60.4
94.07365	1.9
95.04980	13.6
95.08614	44.8
97.02890	8.2
97.06519	10.9
97.10159	4.1
99.04478	5.9
105.07039	23.9
107.04970	14.4
107.08607	46.9
109.06522	5.2
109.10155	20.8
111.04424	2.4
111.08070	5.0
117.07031	18.2
119.08590	14.0
120.09002	1.6
121.06517	10.6
121.10145	21.9
121.46538	1.7
123.08101	4.2
123.10974	1.9
123.11716	12.8
125.06003	3.7
125.09628	2.4
130.07787	2.7
131.08592	7.2
133.10146	24.4
135.08075	4.6
135.11696	64.4
139.07501	2.8
145.06404	1.8
145.10120	35.9
147.11641	2.1
149.09634	2.4
149.13280	10.5
151.11186	12.3
153.12823	3.1
159.11717	7.5
163.11198	81.8
169.10187	1.9
169.12289	1.9
173.09564	2.3
175.11208	1.9
177.12816	3.7
181.12209	12.7
183.13818	4.0
184.07359	4.4
187.13332	4.1
193.12283	3.2
195.13828	2.7
209.11719	3.8
225.14874	2.7
227.12787	71.2
229.14302	2.9
253.14346	1.9
255.15987	3.0
257.17532	3.9
267.15903	4.8
269.17456	8.6
275.20102	2.8
283.15448	29.5
301.20078	22.9
399.78351	2.1
409.26077	2.8
451.26932	92.0
452.27383	4.1
459.27460	5.2
465.28610	16.9
466.94092	1.8
477.28500	100.0
478.28760	2.4
509.31152	77.6
526.35736	2.1
544.37164	2.1
661.99481	1.9
706.27875	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	706.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01065	0.9
53.03942	3.6
54.18607	0.9
55.01875	15.4
55.05513	29.0
57.03439	22.1
57.07065	3.0
59.04996	1.7
61.02932	6.8
62.06087	1.2
65.03939	2.5
67.05508	35.3
69.03428	5.8
69.07068	11.0
70.06612	1.2
71.01341	2.4
71.04990	5.7
73.02926	6.1
79.05498	39.6
81.03418	33.5
81.06584	1.9
81.07061	35.9
82.03770	1.0
82.04209	3.6
82.07382	0.9
83.01339	8.0
83.04983	20.3
83.08624	18.0
84.02119	1.1
85.02911	11.3
85.06556	3.0
86.09707	5.4
91.03966	3.3
91.04912	1.2
91.05486	28.9
93.07046	36.4
94.07286	1.1
94.07858	1.1
95.04974	20.1
95.08610	13.2
97.02899	7.4
97.06535	9.8
97.10171	12.7
98.07312	4.2
98.20705	1.9
99.04465	3.7
99.08105	1.9
101.02364	1.0
101.06009	1.1
105.04590	1.0
105.07034	18.9
107.04958	14.2
107.05625	1.1
107.08601	20.6
109.02885	1.2
109.06522	10.9
109.10155	11.3
111.04472	4.0
111.08097	4.9
115.05466	1.9
116.04703	10.0
117.07018	8.9
119.08588	17.6
120.11862	0.8
121.06543	4.6
121.10156	10.6
123.08059	14.0
125.00027	3.5
125.06007	2.6
125.09639	14.3
125.12299	1.0
127.03952	1.7
127.11198	1.7
129.05487	23.3
129.06981	6.1
130.07803	1.9
131.08568	7.9
133.06534	2.0
133.10161	8.5
135.08084	4.1
135.11708	15.7
137.09650	4.5
139.07576	1.5
143.07059	4.9
143.08533	1.7
143.10689	1.2
145.06546	1.7
145.10129	16.8
147.08067	4.2
147.11716	8.4
149.09659	2.9
151.11172	1.7
153.09122	2.0
153.12735	5.3
155.08540	2.4
157.08618	11.7
157.10143	5.1
158.05710	1.1
161.09596	1.3
163.11185	31.5
165.12764	2.7
171.06451	1.7
171.10190	4.1
171.11623	1.5
173.09621	5.6
173.11777	1.8
175.11214	4.1
181.12296	4.4
184.07336	18.8
185.11714	1.7
189.09698	1.3
189.11203	6.3
191.10703	5.8
193.12317	7.0
199.13284	6.4
200.14182	2.1
201.14803	2.2
207.13742	1.9
209.11752	11.9
210.12473	1.7
211.13350	3.5
223.13222	1.2
227.12794	19.6
229.14377	3.5
255.15834	2.5
265.14438	1.0
267.15924	16.5
281.17523	5.1
283.15408	100.0
284.15976	2.9
285.16940	3.9
299.14642	1.4
301.16467	76.2
302.16864	2.1
337.16434	3.2
348.23343	0.9
365.19937	1.1
383.22433	1.2
398.49774	0.8
400.67093	0.9
401.23138	1.3
407.24319	1.9
425.25388	2.6
437.25308	5.7
451.26810	3.0
457.25970	1.5
459.27103	1.7
473.29153	12.0
474.26358	1.7
475.27002	8.7
477.28583	7.1
491.25348	4.2
492.27112	6.4
493.27832	1.5
509.27417	90.5
510.27792	4.0
527.28436	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	706.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01883	14.4
55.05267	2.5
55.05513	28.3
57.03440	20.5
57.07093	1.8
59.04983	1.6
61.02921	4.1
65.03931	2.8
67.05510	43.5
69.03430	5.7
69.07072	14.8
69.90583	6.1
71.04982	5.7
73.02924	7.6
73.35250	1.3
74.20174	1.3
79.05495	49.9
79.30350	1.4
81.03424	32.3
81.07061	36.6
82.03758	2.1
82.04205	4.0
82.75631	1.4
83.04989	18.0
83.08621	18.9
84.02116	2.0
85.02924	6.7
85.06547	2.4
85.23499	1.4
86.09689	2.9
87.04475	2.3
91.05478	32.4
93.07048	53.2
95.04977	22.1
95.08613	43.3
97.02893	10.6
97.06535	10.7
97.10181	12.0
98.07314	3.1
99.04459	5.7
99.08110	1.6
101.05994	2.0
103.05449	1.9
105.07038	23.7
107.04968	14.9
107.08598	39.1
109.02888	2.6
109.06538	4.5
109.10154	10.7
111.04460	3.3
111.08055	5.0
113.06027	2.7
115.05443	1.8
116.04719	12.4
117.07040	10.2
119.08582	18.8
121.06487	8.8
121.10152	23.6
123.08063	6.2
125.05999	3.2
125.09641	13.8
126.10371	1.5
129.05493	25.0
129.06941	6.7
130.07788	1.9
131.08559	7.0
132.87129	1.4
133.06496	1.5
133.10146	13.3
135.08073	4.7
135.11696	57.9
137.09616	3.5
139.07504	2.0
143.07001	7.2
143.08566	3.9
145.10139	36.3
147.08054	2.7
147.11697	8.4
149.09644	3.3
153.12753	3.6
157.08612	10.3
157.10130	4.1
158.05740	2.8
161.13301	1.7
163.11192	70.8
165.12737	1.7
169.10191	1.4
171.06487	2.4
171.10185	5.7
171.11670	3.3
173.09633	2.1
173.11778	1.9
175.11179	5.1
181.12187	11.4
184.07329	3.9
189.11252	5.1
191.10744	2.8
193.12175	7.3
199.13321	4.6
200.14050	1.7
209.11743	7.4
211.13112	2.9
226.12228	1.8
227.12793	94.6
229.14363	3.6
241.14418	1.6
259.91330	1.4
265.14270	2.2
267.15948	21.4
281.17548	9.7
283.15405	89.5
284.15887	3.8
285.17041	3.1
301.16479	72.4
302.16754	2.1
324.15930	1.7
337.16449	2.3
407.24417	2.9
437.25430	3.8
459.27194	6.0
473.29120	23.8
475.26978	7.4
475.55527	1.8
476.27158	1.9
477.28152	10.7
491.26566	9.6
492.27167	11.6
509.27469	100.0
510.27832	4.5
515.20490	1.6
527.28363	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	706.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12980	1.4
53.03938	6.4
55.01871	6.3
55.05270	2.3
55.05513	27.9
56.52679	1.4
57.03436	16.0
59.04997	4.8
61.02916	6.8
62.71379	1.5
64.28597	1.5
64.43446	1.4
65.03928	1.8
65.84377	1.6
67.05179	2.1
67.05509	29.4
69.03426	5.1
69.07064	6.5
70.68037	3.3
70.68420	3.8
71.00091	1.8
71.04999	4.3
73.02911	2.4
79.05491	28.1
81.03423	58.1
81.07059	35.7
83.04992	15.9
83.08624	25.1
85.02911	20.7
85.06554	3.9
86.09703	2.2
91.05487	43.4
93.07047	33.1
95.04972	26.7
95.08618	10.2
97.02885	7.3
97.06525	6.8
97.10183	4.3
99.00813	15.1
103.05415	2.5
105.04530	1.6
105.07037	29.8
107.04976	11.8
107.08606	14.5
109.02874	8.1
109.06513	6.1
109.10123	9.0
111.04432	3.4
111.08098	12.8
113.05993	1.5
115.03911	2.5
115.05507	2.5
117.06992	5.4
119.08588	24.3
121.06502	7.6
121.10157	10.1
123.04398	3.6
123.08072	3.1
125.09672	2.3
127.03902	2.3
128.06226	2.6
129.07021	9.4
131.08582	12.0
133.06517	3.5
133.10135	38.9
135.08049	2.9
135.11670	5.1
137.09633	2.5
139.07579	1.7
142.07843	2.6
143.08571	5.2
145.10133	5.2
147.08067	4.3
147.11688	13.9
149.09625	6.1
150.09131	2.0
151.11177	9.2
157.10115	10.4
161.09616	13.4
162.91290	1.5
163.11198	7.2
167.12598	1.4
171.08139	1.6
175.11194	12.8
179.10701	5.2
184.07339	3.2
189.09096	6.9
189.54498	1.6
193.12262	35.8
197.11697	2.8
207.10136	3.0
211.11322	3.6
211.13293	53.5
225.11221	9.3
227.12798	5.6
254.21178	1.6
265.14230	2.7
267.15909	24.1
281.13794	5.1
283.15506	9.5
285.16983	42.9
299.14883	53.7
301.16437	1.7
385.23773	1.9
459.27527	6.8
473.25128	5.0
477.28406	11.5
491.26370	17.9
495.29202	3.0
509.27509	100.0
510.28009	3.1
517.17883	4.2
548.20013	3.2
549.20526	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	705.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	3.5
53.03949	14.4
54.07609	1.5
55.01869	7.1
55.05266	3.1
55.05516	31.0
57.03445	12.7
57.07064	2.7
59.05030	2.9
60.08167	3.7
61.02930	3.8
65.03943	5.8
67.05508	100.0
69.03430	28.6
69.07072	20.2
71.04997	58.2
71.08628	1.9
77.03944	2.6
79.05496	72.3
81.03419	62.8
81.07060	96.7
83.04994	18.4
83.08626	14.2
85.02911	9.9
85.06551	9.4
86.09706	11.0
87.04456	4.0
91.04908	2.8
91.05486	70.9
93.07050	71.4
93.07642	3.6
95.04980	17.7
95.08614	47.3
95.09158	1.9
96.08953	2.3
97.02895	19.8
97.06556	9.7
97.10199	7.9
99.04463	8.4
99.08096	4.1
100.00222	1.8
103.05473	1.6
105.04530	2.6
105.07030	39.0
107.04956	4.7
107.07888	2.2
107.08602	34.9
109.02885	13.3
109.06514	4.6
109.10180	19.8
111.04464	10.5
111.08101	4.2
117.07014	18.2
119.08589	25.4
121.06514	5.1
121.10141	23.7
123.04482	1.7
123.08019	2.2
123.11727	11.5
125.00027	5.6
125.09621	3.7
127.03901	11.9
129.05498	2.6
129.06984	11.2
131.08565	25.1
133.10138	27.0
135.08096	5.4
135.11713	17.8
137.05942	1.9
139.41260	1.6
141.06987	2.6
142.07813	1.9
143.08568	6.2
145.06487	2.1
145.10133	13.0
147.11714	13.1
148.86331	1.7
149.09651	5.9
149.13264	14.1
151.11194	10.3
153.12874	1.8
155.08646	3.8
157.10159	5.9
159.08080	2.7
159.11694	20.2
161.13274	7.2
162.73479	1.9
163.11229	3.6
166.07941	1.6
167.08592	2.9
168.31693	1.7
169.10150	4.9
169.12285	3.3
171.06567	2.3
171.11719	4.9
173.04491	17.4
173.13293	6.0
175.11162	3.7
177.12737	10.3
181.10088	2.0
183.11838	2.0
183.13818	8.6
184.07350	34.0
185.07845	2.2
185.13286	2.9
187.11783	1.9
187.13319	12.0
187.14812	3.9
189.11353	2.0
193.12251	5.3
195.11783	3.7
195.13832	6.8
197.13242	3.4
199.14886	2.4
201.14897	5.2
211.13295	4.9
213.14807	3.1
223.14932	2.3
227.12755	4.8
257.17532	4.0
259.20624	2.7
261.22168	4.5
267.15894	2.5
269.17508	4.7
271.20697	1.9
275.20193	2.4
277.14258	1.8
277.21637	2.8
285.16974	3.9
293.21185	3.2
297.22171	1.8
299.23685	2.3
327.93137	1.6
333.24240	2.7
335.25864	5.1
339.18085	7.5
349.27444	3.7
351.23276	2.4
369.24057	3.6
395.20792	3.2
427.23529	3.0
443.27997	2.3
503.37372	3.3
517.38885	7.3
525.35724	5.5
543.36835	18.0
561.41754	2.2
651.38110	2.9
673.42700	6.2
687.40942	3.5
705.45654	50.5
706.45599	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.5
55.01869	5.9
55.05510	23.1
57.03436	6.5
57.07051	2.6
60.08162	2.8
65.03939	5.2
67.05508	85.3
69.03436	23.5
69.07075	20.6
69.82326	7.8
71.04994	55.0
77.03950	1.9
79.05495	58.1
81.03419	43.9
81.07059	100.0
83.04992	13.1
83.08617	12.5
85.02904	6.0
85.06546	9.7
86.09695	5.6
87.04474	3.0
91.05485	65.1
93.06484	3.6
93.07050	62.3
95.04979	11.3
95.08614	36.9
97.02888	12.1
97.06528	7.5
97.10160	5.7
98.20782	1.9
98.98415	2.2
99.04475	4.8
99.08096	2.9
103.05468	2.0
105.04530	3.8
105.07046	40.8
105.07747	1.7
107.04948	4.0
107.08602	32.8
109.02864	10.3
109.06521	6.6
109.10143	18.7
111.04436	7.3
111.08084	5.2
117.07016	16.5
119.08581	17.3
121.06525	4.2
121.10156	19.4
123.08070	3.1
123.11707	14.1
125.00010	3.6
125.09652	2.1
127.03933	9.5
128.06256	2.0
129.07005	7.3
131.08589	20.3
133.10139	28.6
135.08038	3.5
135.11688	17.4
137.09569	2.0
137.13260	2.0
143.08582	9.4
145.06450	3.7
145.10103	10.0
147.08008	3.4
147.11691	10.0
149.09653	2.7
149.13231	13.2
151.11197	11.4
155.08578	3.0
157.06499	1.9
157.10098	6.8
159.08128	2.9
159.11691	18.0
161.09729	3.1
161.13240	5.2
162.21684	1.8
163.11218	4.6
165.12770	3.1
169.12247	2.9
171.08107	1.6
171.11737	4.4
173.04446	8.3
173.13246	4.9
175.11211	2.8
177.12776	6.9
179.08580	2.2
183.11761	3.0
183.13837	8.6
184.07364	18.1
185.07687	1.8
185.13264	3.8
187.13286	13.5
187.14757	3.0
193.12276	2.4
195.13846	6.0
201.14697	3.6
213.12834	1.6
252.65050	1.8
257.17502	4.8
259.20752	2.1
261.22119	4.3
269.17490	4.2
301.20673	2.0
313.21774	2.0
319.22900	1.9
330.18845	2.0
335.25919	2.6
339.18027	6.4
349.27432	5.7
351.23215	3.2
369.24295	7.9
395.20892	2.7
405.26474	2.0
427.23349	2.9
443.27905	3.9
458.79144	1.9
461.28705	4.8
492.08865	1.9
503.37479	2.9
517.38861	9.3
543.91748	1.7
561.41138	2.5
622.77332	1.9
629.39874	2.1
655.42316	2.8
673.42792	9.8
705.45612	47.3
706.45660	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	705.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
53.34125	1.1
55.01869	1.8
55.05516	17.0
57.03434	2.8
57.07082	6.5
62.00322	1.2
65.03914	1.4
67.05508	36.5
69.03424	1.8
69.07078	17.6
69.21202	5.7
69.21624	6.8
71.04996	3.1
71.08638	3.4
79.05495	19.5
81.07064	33.1
83.04980	1.5
83.08626	11.4
86.09696	3.8
89.91379	1.5
91.05479	15.5
93.07049	18.7
95.04982	3.0
95.08605	23.6
97.06506	2.6
97.10174	4.7
98.98441	1.6
99.08058	1.7
101.22071	1.4
105.04482	1.3
105.07043	20.1
107.08604	13.1
109.06519	1.8
109.10146	10.1
111.08155	1.7
113.00021	52.6
115.05478	1.7
117.07046	10.5
119.08597	15.5
121.10136	8.0
123.11700	3.4
125.00016	1.7
128.06227	3.2
129.06996	13.2
131.08577	21.2
133.10133	10.6
135.11678	3.9
141.06979	5.5
142.07794	4.8
143.08569	18.3
145.10143	16.2
147.08105	1.9
147.11646	6.2
155.08549	12.3
156.09381	3.4
157.08958	1.9
157.10141	22.9
159.11681	10.6
161.13284	3.7
163.14778	2.0
167.08572	5.5
168.09329	2.2
169.02614	4.9
169.10117	17.3
170.10963	1.4
171.11710	14.5
173.13249	7.5
175.14850	3.1
181.10118	8.9
183.11659	13.6
184.07341	11.1
185.07765	2.1
185.13281	11.3
187.11191	1.4
187.14822	4.6
193.10156	3.2
195.11713	8.8
197.13255	11.3
199.14812	8.7
201.16370	2.5
207.11708	2.5
209.13278	7.8
211.14880	7.5
213.16354	5.1
221.13196	1.8
223.14864	3.6
225.16380	5.8
227.18021	4.6
229.19659	1.4
235.14716	2.4
237.16429	3.1
239.14281	1.5
239.17949	5.8
241.19530	4.4
249.16431	1.4
251.17986	1.6
253.19519	1.5
255.21091	1.7
263.17999	2.0
265.19446	1.8
267.21069	3.0
281.22485	2.0
311.19882	1.4
311.23691	1.7
343.25287	1.2
351.07205	1.5
353.24783	1.8
420.23398	1.4
423.33090	1.7
437.33887	1.6
447.21677	2.9
448.22424	1.4
449.34369	1.7
501.41196	2.5
519.42194	11.6
533.38116	2.6
534.25684	1.7
537.43390	9.0
557.43378	3.2
575.44226	5.6
576.50928	3.9
593.45581	100.0
594.45770	5.2
610.11426	1.3
611.46381	5.1
645.34088	3.6
705.36005	12.1
705.45685	66.6
706.45013	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	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.3
53.04162	2.2
55.01876	13.2
55.05515	35.2
56.56309	2.0
57.03440	15.5
57.07081	3.8
60.28451	1.9
61.02925	4.2
61.91303	1.8
65.03949	4.4
67.05510	83.5
69.03437	27.7
69.07075	26.5
69.82136	11.2
71.05012	9.4
73.02921	4.7
77.35283	1.8
79.05498	59.3
81.03425	54.7
81.07063	100.0
83.04977	19.5
83.08625	16.6
85.02914	11.9
85.06531	5.9
91.05493	51.2
92.05841	2.2
93.07047	68.5
95.04980	13.3
95.08614	42.5
97.02892	16.6
97.06550	13.8
97.10177	5.6
98.20829	3.0
99.04447	10.2
99.08086	4.4
103.05463	2.6
105.07045	47.3
105.07766	2.6
107.04964	10.9
107.08591	36.9
109.02864	15.9
109.06518	12.3
109.10170	17.9
111.04446	8.6
111.08073	6.8
112.15577	2.1
113.51627	1.8
115.05465	2.8
117.07006	21.9
119.08595	37.2
121.06516	7.5
121.10144	29.5
123.04434	4.8
123.08076	7.6
123.11722	9.3
125.09619	6.8
127.03876	16.0
129.05515	4.5
129.07018	11.5
131.08586	32.2
133.06491	3.8
133.10141	29.5
135.08041	7.9
135.11707	14.5
137.09653	3.0
141.07007	5.5
143.08543	12.3
145.06442	5.5
145.10120	22.6
147.08046	4.8
147.11705	19.6
149.09645	11.5
149.13281	16.4
151.11192	4.4
155.08586	8.4
157.06451	2.5
157.10143	10.3
158.71542	2.0
159.08032	5.0
159.11700	23.1
161.09610	3.2
161.13263	4.0
163.11177	8.9
165.12704	3.2
167.08574	3.2
169.10130	10.4
171.08078	3.2
171.11703	10.5
173.04442	12.0
173.09579	4.9
173.13263	7.9
175.11156	5.9
177.12767	6.5
181.10207	4.4
183.11702	6.9
185.09688	2.4
185.13258	4.8
187.11243	2.3
187.14900	4.0
189.12784	2.2
195.11754	3.8
195.13812	6.0
197.13277	6.0
201.12839	3.5
209.11755	2.1
211.14883	3.7
227.12822	4.4
229.19626	2.7
235.16995	2.4
239.18044	3.5
247.20607	5.5
257.19073	9.0
259.20651	2.7
267.15973	7.5
269.17493	23.7
275.20074	42.1
293.21097	5.7
301.21582	3.4
303.15884	2.4
311.23523	2.2
315.23346	2.6
317.20966	2.3
331.22876	2.6
339.18103	4.7
349.23749	14.6
383.22278	3.7
395.20682	2.5
413.21762	6.8
419.24026	2.8
433.30914	2.7
451.32104	4.2
463.30435	3.1
469.33237	5.0
515.37158	5.1
525.35822	14.2
543.36920	40.8
561.37708	5.8
607.35065	2.6
616.60028	2.2
669.40125	5.1
687.40509	9.1
705.30731	2.8
705.41974	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	705.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74052	0.3
56.38948	0.4
57.73643	0.4
65.03953	0.5
70.06582	0.5
71.50772	0.5
79.05485	0.8
80.05014	0.5
81.03416	0.5
81.07072	0.7
85.02917	0.6
86.09719	0.5
89.03913	0.9
90.64017	0.4
91.05484	1.2
93.07022	0.8
93.68748	0.3
94.06554	1.3
95.04961	0.4
95.07333	0.6
96.08118	1.5
105.07034	0.4
107.07347	0.4
108.08143	2.3
110.09741	1.8
116.04986	4.4
120.08080	1.4
121.10137	0.6
122.06035	2.3
124.07588	2.5
133.10165	0.4
134.06020	0.9
136.07574	5.9
138.05579	0.4
138.09160	2.5
140.07025	0.4
144.04443	11.1
146.06049	1.2
148.07539	0.5
150.05498	1.6
151.06311	1.8
152.07071	11.6
153.01846	0.7
154.08640	0.5
156.58238	0.4
158.11046	0.4
162.05515	4.2
164.07132	0.6
165.07875	9.1
166.08646	15.3
167.09375	0.5
167.71976	0.4
168.06421	0.4
172.03940	53.6
173.04364	0.7
174.05516	0.7
182.08295	0.5
184.09689	4.2
190.05006	1.8
196.09853	0.6
199.08543	0.5
204.06564	100.0
205.06900	1.2
210.07632	0.6
211.08411	2.7
225.10280	0.6
226.10739	89.8
227.08153	0.8
227.11124	1.3
237.10243	0.7
239.08096	0.5
241.09653	0.6
242.10469	1.3
249.10068	0.6
251.11797	0.7
253.09691	1.0
256.12045	0.8
257.12872	1.1
265.09717	0.7
267.11139	0.8
275.13956	0.5
277.09918	0.5
279.11035	0.9
281.09229	1.1
284.11438	1.1
285.12311	0.7
287.10306	0.5
291.11310	0.4
293.09277	0.4
297.12259	1.0
299.13742	0.5
301.11835	0.6
302.12689	0.8
307.10864	0.7
311.10489	0.5
311.14072	0.6
313.11829	0.9
317.14954	14.9
325.11807	4.5
327.13290	0.7
329.14874	1.0
330.54849	0.4
335.10416	0.7
339.13406	4.5
343.12851	1.5
349.17514	1.5
353.11624	0.4
354.12170	0.6
355.12872	1.1
357.14450	15.2
358.14929	0.6
367.13129	2.2
382.11865	0.5
387.79230	0.4
449.77341	0.4
458.17154	0.5
464.21942	0.6
466.19504	0.7
488.17795	0.7
508.20862	5.7
516.17316	1.3
517.18335	0.5
520.20831	4.8
534.18372	0.6
540.23108	1.1
548.20258	5.8
549.20667	1.3
550.21857	0.6
552.23578	2.2
566.20929	0.6
582.23840	0.8
706.83307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.0
55.01864	9.0
55.05515	34.5
57.03439	12.9
57.07050	3.1
57.85461	2.2
59.67539	2.3
61.02916	5.2
65.03936	4.7
67.05510	77.6
69.03147	2.6
69.03440	30.7
69.07073	30.2
71.04984	7.7
73.02901	4.6
73.20766	2.5
79.05069	5.2
79.05497	58.0
81.03427	61.2
81.07060	100.0
83.04979	20.9
83.08638	18.5
85.02906	12.2
85.06548	4.3
91.04977	4.1
91.05491	51.2
93.06492	3.7
93.07053	65.9
95.04976	18.2
95.08610	50.5
97.02905	18.4
97.06521	16.4
97.10146	4.0
98.20730	5.7
99.04445	11.0
99.08096	3.3
103.03950	3.0
104.08517	2.4
105.07038	51.6
106.45623	2.6
106.96429	2.3
107.04945	11.1
107.08605	38.3
109.02876	15.9
109.06506	9.7
109.10172	19.2
111.04462	6.1
111.08120	5.9
115.05424	3.1
117.07024	24.0
119.04960	2.6
119.08585	38.1
121.06505	9.3
121.10155	23.1
123.08079	6.5
123.11694	8.0
125.09622	6.1
127.03891	13.3
128.12141	2.2
129.05504	3.2
129.07010	13.2
130.92815	2.6
131.08575	26.9
131.62000	3.3
133.06525	5.4
133.10126	29.1
134.69215	2.6
135.08069	5.8
135.11702	13.6
137.09631	8.2
141.06990	3.6
142.43123	2.5
143.08574	9.3
143.60181	2.9
145.06514	3.3
145.10139	21.0
147.08058	7.0
147.11696	21.8
147.35541	2.4
149.09630	9.2
149.13254	17.8
151.11116	4.4
155.08444	6.0
157.06332	2.7
157.10107	10.4
159.07993	4.8
159.11719	21.7
161.09660	3.6
161.13181	6.1
163.11189	5.4
165.09302	2.7
165.12750	8.9
169.10086	7.0
171.11681	10.8
173.04417	14.1
173.09631	6.6
173.13306	7.6
175.11311	4.4
176.46738	3.0
177.12833	6.0
181.10049	3.5
183.11679	7.5
185.13206	8.2
187.11238	3.3
193.10225	2.9
193.12335	3.4
195.11801	4.3
195.13820	9.2
197.13239	7.2
199.11198	3.7
207.11694	3.0
225.03838	2.4
227.12810	3.9
229.53557	2.6
257.18988	13.6
259.20477	3.6
262.37839	2.5
267.16006	5.7
269.17508	20.7
275.20123	40.8
293.21100	5.8
303.16071	2.7
339.17999	3.3
349.23801	14.6
413.21625	5.9
433.31158	4.4
451.32230	4.1
463.30420	3.7
469.33261	5.9
515.36987	5.1
525.35669	15.7
543.29419	3.4
543.36926	44.2
561.37451	5.0
607.34436	4.1
613.86273	3.3
669.39551	5.2
687.40936	12.8
705.42078	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	705.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52428	0.4
67.05500	0.7
69.03433	0.8
69.07069	0.7
69.72375	2.6
70.06582	0.4
79.05505	0.8
81.03427	0.8
81.07050	1.4
91.05496	1.0
92.22997	0.4
93.00089	0.5
93.05806	0.5
93.07050	1.0
94.06589	0.7
95.08610	0.8
98.20779	0.5
105.07050	1.0
107.04955	0.6
107.08599	0.9
108.08140	5.4
120.08142	0.6
121.02856	0.5
122.06052	0.7
125.09680	0.6
133.10167	0.6
136.07597	6.7
150.09204	0.6
152.07104	0.5
153.01828	0.6
162.05467	0.5
163.11166	0.7
164.07092	1.5
178.08586	0.8
197.17471	0.4
204.10136	0.4
225.10536	0.6
235.08731	1.5
236.09486	0.9
237.10246	2.9
247.08733	0.7
248.09445	1.7
249.10217	4.5
250.10994	1.1
251.08096	0.6
251.11890	0.7
263.08170	1.0
263.11786	0.5
264.08923	1.8
265.09778	3.7
266.10587	0.9
267.15814	0.7
276.09033	3.0
277.09705	4.5
278.10532	2.0
279.08179	0.6
279.11081	2.5
281.09552	0.5
281.12689	0.5
291.07889	0.6
291.11346	1.3
292.08566	0.9
293.09341	2.3
293.12585	0.9
294.09943	0.6
304.08554	1.7
305.06070	0.5
305.09128	2.1
306.09912	0.6
307.10785	2.9
309.12427	1.0
311.10037	0.5
319.10779	8.6
320.11493	0.6
321.12369	1.3
326.12939	1.5
327.13821	0.6
328.14282	1.2
332.08032	0.6
333.08777	1.0
335.10425	1.4
337.11938	1.0
338.12827	1.4
339.13574	1.1
340.10782	0.8
340.14545	1.8
341.11691	1.6
342.12396	0.9
342.16208	1.3
347.10184	2.2
351.09918	1.7
353.11288	2.5
354.12360	3.3
354.16080	0.9
355.13315	2.0
356.13950	2.6
358.15582	1.0
365.11392	5.4
366.12274	1.4
366.16449	0.6
367.13120	1.2
368.14072	3.1
369.10797	0.7
369.14868	1.3
370.11481	0.8
370.15594	2.4
372.17371	0.9
380.14084	1.8
381.10858	0.9
382.11606	3.6
382.15796	1.1
383.12732	1.5
384.13312	2.7
386.14978	1.8
395.12540	0.9
396.13400	3.4
397.14444	1.5
398.14908	3.5
399.16000	0.8
400.16772	2.3
401.17581	0.8
410.11121	1.2
410.15613	0.8
411.11661	0.6
411.16351	0.7
412.12540	1.1
412.17334	0.8
414.13956	1.1
414.18845	0.8
416.20059	0.9
424.12842	1.5
425.13678	0.8
426.14517	1.9
427.15363	1.5
428.16827	2.4
429.16934	0.9
439.14853	0.6
440.16174	1.7
442.13312	1.0
444.19092	1.7
452.12567	1.4
456.12030	1.6
457.16827	0.9
458.17081	1.0
470.12701	2.2
472.19650	0.6
473.15479	0.6
486.16718	1.5
488.18375	3.2
489.19531	0.5
493.27911	0.6
498.16953	1.5
516.17719	24.7
517.18439	4.9
534.18726	3.1
548.20331	100.0
549.20630	5.9
580.68427	0.5
623.21271	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	704.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.1
55.05503	0.2
56.05040	0.8
57.03431	0.1
57.07060	0.2
58.06622	0.4
59.07394	0.1
60.08164	6.7
67.05502	0.7
69.07068	0.2
70.06581	0.2
71.04996	0.2
71.07374	4.2
71.08631	0.2
75.76490	0.1
79.05495	0.4
79.43067	0.1
79.82462	0.1
80.60273	0.1
80.97431	0.1
81.03419	0.1
81.07054	0.8
83.08578	0.1
86.09707	33.7
87.10018	0.1
89.06022	0.2
90.62145	0.1
91.05466	0.4
93.07046	0.4
95.08616	0.5
97.06527	0.1
97.10159	0.1
98.21624	0.2
98.98463	3.9
104.10742	2.5
105.07044	0.2
107.08594	0.2
109.06514	0.1
109.10156	0.2
119.08611	0.1
121.10206	0.1
125.00005	22.8
143.01093	0.1
147.11607	0.1
163.01559	0.1
166.02670	0.1
184.07339	100.0
185.07712	0.7
253.14429	0.2
255.50072	0.1
271.45227	0.1
283.57892	0.1
329.91769	0.1
373.77670	0.1
448.20795	0.1
466.22156	0.1
478.33200	0.1
496.34497	0.2
507.36679	0.1
519.40552	0.1
563.42987	0.5
654.40991	0.1
704.44977	4.4
705.44757	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	704.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36665	0.1
54.92007	0.1
56.05037	1.2
57.12638	0.1
57.79372	0.1
58.06603	0.3
60.08166	7.3
60.08477	0.3
67.05497	0.4
70.06604	0.2
71.06982	0.2
71.07378	3.8
79.05487	0.3
81.03429	0.2
81.07056	0.4
83.08617	0.2
86.09710	33.4
87.10051	0.3
91.05524	0.2
93.07053	0.4
95.08605	0.4
98.98473	4.0
104.10752	2.9
105.07058	0.3
107.08638	0.3
109.10178	0.2
125.00011	23.5
133.10078	0.1
135.11717	0.3
145.10129	0.2
184.07349	100.0
185.07693	0.7
209.56212	0.1
227.12859	0.2
239.91991	0.1
256.41650	0.1
478.32748	0.2
496.33853	0.3
686.29059	0.3
704.31769	0.4
704.44971	10.9
705.45093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91447	0.6
52.41555	0.5
63.47756	0.6
63.57845	0.5
69.03430	1.6
69.41875	3.4
69.42290	1.5
73.02904	0.9
85.02908	3.0
97.02905	1.1
98.97569	1.5
112.89609	7.8
114.89336	3.0
116.98679	1.1
127.03929	1.1
128.50043	0.7
148.59264	0.6
152.02324	0.9
155.02876	0.9
158.99728	2.1
161.02869	1.2
170.99611	1.5
173.02930	0.8
177.00761	0.9
182.03383	0.7
182.99661	0.6
191.03926	2.4
191.54109	1.1
200.04497	2.7
201.00665	1.0
212.85251	1.1
219.01874	1.6
227.92104	0.6
254.90845	0.9
261.02859	1.5
272.06631	1.1
272.56860	0.8
279.03970	0.9
281.07123	6.3
281.57217	3.9
314.92847	1.3
362.09735	4.5
362.59912	4.3
362.90454	5.4
363.10101	1.4
381.07684	0.9
423.08344	1.6
441.09229	0.8
476.98022	0.8
543.13293	31.3
544.13910	1.2
599.91656	0.7
705.18561	100.0
706.18634	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	704.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01878	1.9
55.05513	11.6
57.03435	4.8
59.05006	1.1
60.04653	1.1
61.02918	1.6
61.89507	1.0
65.03943	1.8
65.98022	1.0
67.05507	41.0
68.05834	1.2
69.03427	4.6
69.07068	11.0
69.77319	1.2
71.05001	15.4
71.08618	1.2
79.05495	39.0
81.03428	11.8
81.07063	56.2
83.04976	9.5
83.08627	7.5
85.02896	2.4
85.06561	6.5
86.09708	3.7
91.05484	40.7
93.07047	36.4
95.04978	9.1
95.08601	14.9
96.69030	1.2
97.02895	2.5
97.06524	5.5
97.10175	3.3
98.20701	2.4
99.08070	1.3
105.07033	24.7
106.07394	1.2
107.04977	2.8
107.08597	13.0
109.02900	1.4
109.06526	4.1
109.10172	6.7
111.08102	2.0
117.07016	7.4
119.08585	14.2
121.06532	1.1
121.10160	7.1
123.08056	3.3
123.11726	6.3
125.00002	2.8
125.09624	1.4
127.03931	1.3
129.07010	8.0
131.08620	6.9
133.10149	14.8
135.08064	2.7
135.11717	4.2
143.08607	2.9
145.10117	5.3
145.16467	1.2
147.11705	13.3
149.09616	1.3
149.13268	4.1
151.11189	4.1
155.08514	1.3
157.10155	1.9
159.11716	3.7
161.09612	2.1
161.13261	5.2
163.11214	2.2
171.11710	8.1
173.04437	1.5
173.13388	1.3
177.12717	1.4
183.13797	1.5
184.07335	9.8
187.13292	2.3
189.12703	3.0
195.13881	2.3
197.13022	1.0
207.13828	10.2
246.54128	1.1
257.17688	1.3
269.17520	4.9
275.20160	3.0
281.17468	10.2
291.19656	1.4
301.20255	5.8
314.21945	1.1
377.93515	1.1
445.85703	1.1
449.29034	23.5
463.30481	4.3
475.30582	100.0
476.30966	4.6
507.33179	19.8
542.35883	5.5
651.37006	1.6
686.39886	2.5
704.40326	5.9
705.41437	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	704.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	3.7
53.03934	13.4
53.73386	3.0
55.01882	19.9
55.05518	39.5
57.03449	20.4
57.07071	2.8
61.02899	3.8
65.03936	7.1
65.25790	3.1
67.05183	5.7
67.05508	80.1
69.03421	13.0
69.07075	18.1
69.31915	19.3
69.32317	4.5
71.04993	6.9
73.02916	6.5
79.05499	100.0
81.03429	54.1
81.07063	71.1
82.03766	4.2
82.04204	4.2
82.07387	8.0
83.04998	23.3
83.08600	13.9
85.02890	9.8
86.09698	11.4
86.91665	3.0
91.05492	82.2
92.05793	5.7
93.07051	91.1
94.07344	5.4
95.04971	44.8
95.08619	35.5
97.02874	12.6
97.06550	16.1
97.10160	14.3
98.07275	3.7
99.04472	3.9
99.08060	3.6
101.06042	3.3
103.05463	3.7
105.07036	58.9
106.07361	4.3
107.04967	19.6
107.08598	38.0
109.02866	4.7
109.06506	10.8
109.10176	22.7
111.04440	5.5
111.08080	8.0
115.05435	5.8
116.04707	9.5
117.07059	18.5
118.07289	3.4
119.08585	40.5
121.06511	6.5
121.10117	12.3
123.08060	9.3
124.99984	6.5
125.09615	15.0
127.03872	3.6
128.06273	3.7
129.05524	28.5
129.07047	23.1
130.01613	3.8
131.08574	14.9
133.06458	4.2
133.10158	22.7
135.08072	6.2
135.11705	9.9
139.07610	4.1
143.07007	4.8
143.08572	9.7
145.06526	4.0
145.10144	23.4
147.08081	5.3
147.11699	39.1
149.09598	9.6
153.12689	7.1
157.08640	8.8
157.10132	4.6
159.11642	9.1
161.09622	7.3
161.13315	15.1
163.11183	21.2
171.10228	4.6
171.11688	28.9
173.09608	3.8
173.11745	3.6
173.13187	4.2
184.07350	42.1
189.11205	6.7
189.12706	7.9
191.10713	5.1
193.12257	6.9
199.13289	6.8
202.33401	3.6
207.13795	28.5
209.11621	6.6
211.13269	7.6
225.14804	3.7
227.12796	20.3
229.14330	4.8
265.14352	3.3
267.15857	10.5
275.20007	9.2
276.20297	4.3
281.17465	50.5
283.15344	9.1
301.16473	54.9
405.26434	4.3
435.27304	12.0
473.28891	5.3
489.28589	9.0
490.29355	4.1
507.22577	5.2
507.29617	98.0
508.29349	4.5
524.34241	4.3
541.35144	6.7
542.35419	11.3
543.35980	3.4
609.99017	3.6
686.39429	5.6
704.40900	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	703.4755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.01857	0.5
55.05516	2.2
57.03411	0.4
57.07072	0.8
60.08157	1.5
67.05505	3.8
69.07059	1.5
71.07365	0.7
71.08613	0.6
71.51743	0.6
79.05488	2.5
81.03415	0.6
81.07067	3.7
83.04967	0.7
83.08622	1.6
86.09711	5.9
87.10045	0.4
89.06017	1.9
90.06427	0.3
91.05477	2.9
93.07053	2.5
95.04955	1.2
95.08598	2.3
97.06528	0.8
97.10139	0.5
98.98491	0.5
104.10750	0.5
105.07043	1.4
107.08614	1.3
109.06558	0.5
109.10171	0.9
119.08613	1.1
121.10165	0.5
123.11666	0.4
125.00004	3.9
129.07021	0.4
131.08545	0.3
133.08624	1.2
133.10152	0.8
134.06602	0.3
135.11758	0.5
145.10112	0.4
147.11702	0.6
149.13237	0.5
184.07346	20.2
185.07756	1.4
277.14282	0.5
335.21927	11.4
335.25879	0.6
391.24536	7.1
560.12042	0.4
582.11133	0.4
589.37793	0.5
703.47552	100.0
704.47729	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	703.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94415	0.5
55.05504	1.7
57.03441	0.6
57.07067	0.9
60.08168	2.6
67.05511	4.8
69.07073	1.5
69.16228	1.4
69.16647	4.1
71.07375	1.5
71.08630	0.8
79.05506	3.5
81.03446	0.9
81.07071	4.7
83.08631	1.9
86.09713	10.5
87.10056	1.0
89.06045	1.9
89.91755	0.6
91.05506	3.3
91.06001	0.5
93.07040	3.4
95.04983	1.1
95.08624	3.4
97.29697	0.5
98.21462	0.9
98.98501	1.7
104.10750	0.7
105.07078	1.7
107.04932	0.6
107.08607	1.6
109.10191	0.7
113.00033	0.9
119.08620	1.5
121.10222	0.7
123.11729	0.5
125.00011	8.7
131.08588	1.1
133.08606	0.9
133.10175	1.0
135.11714	1.0
145.10098	0.5
147.11751	0.8
184.07355	37.1
185.07726	5.1
210.34970	0.5
305.85089	0.6
335.21973	9.2
335.25909	0.7
382.85895	0.5
391.24597	5.6
516.38611	0.9
591.44275	1.7
703.47583	100.0
704.47797	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	703.441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.8
55.01867	7.3
55.05516	31.5
57.03438	17.5
57.07074	8.1
65.03934	7.2
67.05502	97.1
67.05841	7.6
69.03429	37.8
69.07070	22.9
69.85042	19.8
71.04988	5.5
77.68632	3.0
79.05492	100.0
81.03416	55.5
81.07061	93.7
83.04983	21.0
83.08609	9.1
85.02912	17.1
85.06531	5.6
86.09705	13.0
91.05482	92.6
92.31561	3.6
93.07049	95.8
95.04971	25.9
95.08604	61.8
97.02878	11.2
97.06528	7.5
98.20789	7.2
99.04466	6.5
101.02363	4.5
101.52982	3.7
103.05447	5.2
105.04528	5.3
105.07030	53.6
107.04955	14.2
107.08591	40.2
109.02868	9.1
109.06504	7.0
109.10176	23.5
111.04467	5.6
111.08072	4.5
117.07018	30.4
119.08598	33.0
121.06470	4.7
121.10123	27.5
123.08064	7.8
125.00023	13.1
127.03909	9.6
128.06235	10.1
129.06984	32.2
131.04951	4.8
131.08571	29.7
133.06499	6.9
133.08626	3.9
133.10107	17.2
135.08049	8.1
135.11714	11.3
139.97696	4.4
141.06949	5.9
143.08568	18.5
145.06461	5.8
145.10117	18.8
147.08006	5.7
147.11679	26.5
149.09714	3.7
149.13280	4.7
157.10129	8.5
159.11728	12.3
161.05934	3.5
161.13254	10.5
167.08530	4.9
169.10133	5.7
171.08092	4.1
171.11671	21.3
173.04475	6.2
173.13242	9.1
181.10182	5.6
183.11652	4.4
184.07346	49.3
185.07732	9.6
185.09442	4.2
185.13338	8.2
189.12784	6.6
197.13254	6.8
202.47560	3.5
207.13826	18.9
223.14812	5.3
259.16858	4.6
261.22113	8.4
269.15283	6.3
281.17502	17.2
287.16479	11.1
335.21988	7.3
335.25818	65.5
351.18530	3.8
361.20291	4.4
425.21423	8.0
517.82056	3.9
541.38898	38.2
591.43860	4.6
621.41418	5.9
695.22900	4.6
703.46246	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	703.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	1.8
53.03950	13.9
55.01882	13.8
55.05513	29.5
55.12594	1.6
57.03452	9.1
57.07074	4.0
62.57852	1.5
65.03937	4.4
67.05508	87.0
69.03440	21.9
69.07077	25.3
71.01358	3.9
71.05019	8.1
72.97469	1.4
73.02945	2.3
79.05500	61.3
80.05849	1.6
81.03425	60.2
81.07063	100.0
83.04989	19.0
83.08620	14.2
84.55476	1.7
85.02919	9.2
85.06535	5.6
86.09732	2.0
87.73860	1.6
91.05488	71.5
93.07052	62.0
94.07372	1.8
95.01347	1.7
95.04977	19.5
95.08617	34.7
97.02901	15.8
97.06529	10.2
97.10178	5.8
98.21611	3.4
99.04462	4.1
99.08089	2.6
103.05467	4.7
105.07036	49.2
107.04971	18.2
107.08601	44.8
109.02875	14.2
109.06522	8.3
109.10155	24.7
111.04491	9.4
111.08058	5.7
113.06065	2.5
115.05450	4.9
116.06240	1.9
116.86430	1.6
117.07028	19.1
117.29895	1.6
119.04974	1.7
119.08579	24.7
121.06517	12.1
121.10146	19.3
123.04458	4.2
123.08070	7.0
123.11707	7.7
125.09637	5.6
127.03931	9.3
127.07581	2.2
128.06223	4.5
129.05481	2.7
129.07007	8.6
131.08580	27.4
133.06448	11.2
133.10136	46.2
135.08073	14.0
135.11717	11.1
137.09602	7.1
139.07562	3.6
139.11134	1.9
141.06990	2.2
142.07755	3.8
143.08571	9.2
145.06503	5.6
145.10110	11.5
147.04381	1.8
147.08061	7.9
147.11722	12.2
149.09641	10.0
149.13286	10.0
151.11203	26.9
153.06999	2.3
155.08583	4.7
157.10159	9.5
159.08061	5.2
159.11703	11.2
161.09618	11.2
161.13268	3.9
163.11189	4.8
165.09148	2.9
165.12746	3.0
169.10143	4.9
169.12274	4.9
171.08067	2.6
171.11694	5.5
173.04524	8.4
173.09665	4.4
173.13242	2.3
175.11200	6.6
175.14708	1.9
177.09100	5.3
177.12787	7.3
179.10597	3.7
181.12393	2.1
183.11761	3.2
184.07405	10.8
185.07773	1.7
185.09526	2.4
185.13297	3.9
187.14752	1.7
191.10725	2.4
193.12172	1.7
195.12012	1.8
195.13802	9.5
197.09610	1.8
201.12636	2.0
201.67912	1.7
203.10638	3.3
209.13301	2.0
211.11075	2.4
227.12663	2.3
227.18071	2.5
229.09726	1.7
233.15424	2.1
245.13841	4.0
245.19051	4.6
251.12759	3.4
253.14330	18.9
261.15036	3.1
263.20139	5.7
267.15848	3.1
269.17517	9.3
273.18539	26.8
275.20126	3.2
277.14542	2.0
291.19550	21.1
303.16074	3.4
309.20621	2.1
321.17084	2.6
339.17935	5.4
347.22131	9.7
356.25113	1.7
365.23203	6.8
395.20566	4.4
413.21548	3.7
465.28461	2.6
530.38947	3.8
531.81909	1.9
541.35229	14.5
559.36017	6.7
591.31433	6.9
685.39355	9.0
703.29443	1.7
703.40198	44.6
704.40533	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	703.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	14.6
55.01875	14.0
55.05513	35.1
57.03439	12.6
57.07091	3.0
61.02925	3.0
65.03938	5.7
67.05509	63.4
69.03433	27.9
69.07070	30.2
71.04991	9.0
73.02918	3.8
79.05494	73.4
81.03423	100.0
81.07059	70.8
83.04989	19.3
83.08619	24.2
85.02917	22.4
85.06557	6.3
91.05487	75.6
93.07044	47.4
95.04971	30.6
95.08610	36.6
97.02883	19.4
97.06541	13.8
97.10178	12.3
97.48643	2.5
98.20753	7.6
98.21473	8.3
99.04471	9.2
101.02390	2.8
103.05502	2.9
105.07030	60.2
105.07693	5.0
107.04967	16.8
107.08602	39.1
107.37222	2.2
109.02876	13.9
109.06529	11.4
109.10164	19.3
111.04440	14.1
111.08103	7.9
113.06008	3.7
115.05456	4.9
117.07011	27.3
119.08602	42.9
121.06501	9.1
121.10130	19.0
123.04417	4.6
123.08070	8.2
123.11723	4.2
125.09630	11.3
127.03916	14.9
127.33315	2.6
128.06241	5.5
129.07030	25.1
131.08582	35.3
133.06500	7.1
133.10143	31.7
135.08075	10.4
135.11702	9.1
137.09647	5.7
141.07008	8.1
142.07796	4.3
143.08560	15.4
144.09323	2.4
145.06520	7.6
145.10126	27.8
147.04369	2.9
147.08040	6.8
147.11713	25.3
149.09610	11.2
149.13293	3.3
151.11159	4.9
155.08556	10.0
157.06543	2.8
157.10146	15.9
159.08115	4.8
159.11688	12.0
161.09599	6.8
161.13249	6.2
163.11189	12.2
165.07007	2.7
165.12810	5.6
167.08566	4.5
169.10107	8.4
171.08046	2.9
171.11710	11.0
173.04538	11.5
173.05856	3.3
173.09573	3.5
173.11755	3.7
173.13286	7.4
175.11221	11.0
177.12807	3.8
179.08548	2.9
179.14240	3.6
181.10153	4.8
183.08107	2.2
183.11732	8.3
185.13297	2.8
187.11299	5.7
187.14903	3.4
189.11220	4.6
189.12723	3.0
191.10710	5.8
193.12241	23.2
195.11612	2.3
197.09694	4.0
197.13280	5.0
199.11217	3.6
201.12718	4.4
207.11603	2.9
209.13257	3.4
211.13239	30.7
211.14967	3.8
227.12849	7.1
229.19508	3.5
236.17500	2.4
247.20546	3.6
257.19022	13.8
267.15924	11.5
273.14850	3.8
273.18851	2.5
275.20093	44.7
285.17075	8.0
293.21121	3.9
323.35242	2.5
329.50208	2.5
331.22693	2.9
337.16367	4.2
349.23700	9.8
355.17355	4.3
383.22086	5.4
411.20245	4.3
411.25369	3.5
419.23825	3.5
430.70282	2.6
431.29532	3.6
449.30276	4.4
467.31558	2.8
474.22934	2.3
523.34711	5.7
541.35425	35.6
559.36200	6.3
583.36279	4.1
594.90210	2.5
649.37537	4.6
667.38068	5.2
677.79181	2.8
685.39490	9.6
703.29242	3.7
703.40613	58.5
704.40979	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	703.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96036	1.5
53.03751	1.4
53.03952	16.7
55.01877	12.5
55.05269	2.5
55.05517	41.0
57.03440	10.5
57.07071	2.2
65.03947	6.1
67.05508	73.7
69.03431	29.0
69.07072	38.2
71.05006	9.0
73.02924	3.0
79.05495	62.6
79.93853	1.6
81.03425	73.0
81.07061	77.6
83.04983	18.6
83.08617	18.8
85.02919	12.2
85.06567	6.3
86.09752	2.2
91.05486	53.8
93.07052	60.9
93.07647	3.7
95.01383	1.8
95.04982	19.8
95.08611	32.9
96.05647	1.9
97.02901	22.2
97.06549	11.6
97.10192	14.7
98.20692	3.2
99.04456	5.5
99.08098	3.2
102.94736	1.6
103.05506	2.5
105.07040	39.3
107.04964	17.6
107.08603	35.9
109.02879	18.9
109.06502	8.0
109.10172	15.9
111.04430	8.6
111.08098	7.2
115.05485	4.6
117.07022	23.5
119.04922	2.6
119.08585	28.4
121.06518	9.6
121.10143	17.9
123.04459	3.6
123.08070	8.2
123.11732	6.1
125.09631	15.7
127.03889	10.8
128.06232	2.7
129.05524	2.9
129.06999	11.6
131.04970	2.3
131.08565	23.9
133.06522	8.1
133.10143	22.3
135.08080	10.1
135.11694	5.8
137.05971	3.5
137.09604	3.8
141.07033	4.8
142.07774	2.3
143.08572	10.0
145.06479	4.5
145.10126	14.6
147.08076	10.5
147.11685	13.3
149.05975	2.3
149.09599	8.4
149.13274	10.7
151.11177	5.7
153.09169	1.8
153.12798	1.9
155.08607	5.3
157.05150	1.9
157.10175	8.7
159.08040	4.8
159.11667	12.8
160.37747	1.7
161.09654	6.1
161.13344	2.5
163.11227	3.4
165.09145	1.7
165.12813	4.7
169.10193	2.8
169.12236	2.1
171.08011	2.2
171.10312	2.0
171.11732	5.0
173.04498	7.0
173.09660	3.2
173.11812	2.0
173.13240	2.7
175.11218	5.9
177.09155	1.7
177.12796	5.8
181.10110	2.1
181.12442	2.2
183.11714	3.9
184.07332	2.0
185.09662	2.4
185.13289	4.8
187.11292	2.8
187.14853	2.7
189.11287	10.7
189.12787	2.7
193.12318	4.1
195.12004	2.5
195.13864	8.2
197.09695	1.9
197.13451	3.1
201.12773	3.8
204.45285	2.0
209.13246	2.0
211.11237	2.0
219.13869	1.8
221.15402	2.5
223.13284	16.4
227.12701	9.5
245.18974	2.9
249.14859	2.5
255.17566	4.0
263.20270	3.3
267.15994	5.8
269.17599	6.2
273.18481	24.1
273.21283	2.3
275.16547	2.0
275.20175	5.7
291.19550	100.0
293.17853	1.8
303.16159	3.3
309.20731	2.6
321.16922	3.3
339.18121	8.1
347.22247	7.9
365.23425	7.8
395.20779	7.3
399.21744	2.7
413.21753	3.2
417.22937	1.8
435.23682	3.8
541.35223	10.0
559.36340	11.7
667.38373	3.6
685.39404	10.6
703.40521	92.5
704.40472	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	703.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.8
53.03949	14.7
55.01877	12.0
55.05517	49.7
57.03447	13.5
57.07063	2.7
65.03944	7.4
65.97162	1.6
67.05510	85.0
69.03437	33.3
69.07075	38.7
71.01353	4.1
71.04995	10.7
79.05499	74.1
80.04838	1.5
81.03427	79.7
81.07062	84.6
83.01321	1.6
83.04990	23.3
83.08626	23.0
83.09077	3.0
85.02903	14.8
85.06528	5.0
86.69643	1.8
87.85957	1.5
91.05485	61.5
93.07053	60.6
95.04978	25.9
95.08621	34.7
97.02894	23.4
97.06550	14.0
97.10169	19.9
99.04462	5.6
99.08092	3.6
103.05490	3.4
105.04553	1.8
105.07041	47.1
107.04961	21.6
107.08601	40.2
109.02882	24.8
109.06532	11.0
109.10165	14.9
111.04454	12.3
111.08098	8.9
115.05482	4.6
116.06232	2.1
117.07018	24.7
119.04972	3.9
119.08598	31.1
121.06482	9.1
121.10152	17.5
123.04438	4.2
123.08121	8.4
123.11728	6.1
125.09639	15.1
127.03938	11.5
128.06229	4.8
129.05545	1.9
129.07025	17.4
131.04968	4.2
131.08578	28.1
133.06490	9.8
133.10149	23.6
135.08075	13.1
135.11674	9.5
137.05981	3.0
137.09673	5.1
141.07030	5.2
142.07814	3.3
143.08560	12.9
145.06506	5.8
145.10146	17.6
147.08049	10.7
147.11708	13.8
149.09662	5.9
149.13248	11.8
151.11198	3.8
153.09108	4.1
155.08609	5.6
157.06503	1.9
157.10106	10.1
159.08090	5.4
159.11691	13.8
161.05901	2.1
161.09583	7.8
161.13272	3.4
163.11223	4.1
165.05507	2.6
165.06970	1.6
165.09122	2.3
165.12784	3.9
167.08710	2.5
169.10170	5.8
171.08171	1.9
171.10341	2.6
171.11740	7.4
173.04532	4.5
173.09647	3.4
173.13281	4.1
175.11276	7.1
177.12784	10.0
181.10175	2.4
183.11761	4.5
184.07362	3.4
185.09621	3.0
185.13344	3.9
187.11153	2.5
189.11310	10.0
189.12849	2.6
191.10825	2.7
193.12289	5.4
195.11919	3.0
195.13895	11.5
197.13254	4.0
199.11169	3.0
201.12901	3.1
203.10786	2.0
205.12167	2.9
209.09995	1.7
211.11406	2.1
211.13354	7.3
217.12338	2.1
223.13300	13.7
225.12885	2.8
227.10913	2.0
227.12743	9.2
229.15977	1.6
233.15456	2.9
245.19159	2.4
249.14862	4.1
255.17606	2.4
257.15439	2.3
257.19003	2.1
261.14877	2.0
263.20258	3.8
267.15982	2.1
269.17551	6.6
271.20670	1.7
273.18521	21.4
273.33316	2.3
275.16476	4.4
275.20172	9.5
285.15036	4.0
289.18140	1.9
291.19547	100.0
292.20068	4.1
303.16129	4.8
315.19934	1.7
321.17081	3.9
339.17993	8.0
347.22318	5.2
348.21704	1.8
365.23395	7.6
371.22177	3.1
395.20755	8.6
403.68961	1.9
435.23715	2.4
523.35199	2.0
527.37500	2.3
541.35260	13.8
559.36414	10.6
575.36414	2.0
641.25262	2.2
667.38232	4.1
685.28790	3.0
685.38849	9.1
703.40533	96.5
704.41101	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	703.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07093	0.4
67.05507	1.2
69.07069	0.7
70.63998	0.9
71.08639	0.4
79.05494	0.9
81.07062	1.1
86.09693	0.6
89.06049	0.4
91.05492	0.6
93.07037	0.6
95.08657	0.8
105.07061	0.4
110.82943	0.3
113.00031	0.5
117.07011	0.3
121.10170	0.4
122.09738	0.3
125.00038	0.4
131.08533	0.6
143.08540	0.4
184.07373	2.1
188.77631	0.3
198.13078	0.3
204.06587	0.4
209.10777	0.4
249.14053	0.4
275.15414	0.5
277.17294	0.5
278.22168	0.4
335.25900	0.4
413.17792	0.3
427.19125	1.0
431.18823	0.6
440.20404	0.5
441.20932	0.9
443.18051	0.6
443.23282	0.5
445.20309	1.1
454.17935	1.3
455.18399	1.3
455.22818	1.3
456.23288	1.0
457.23975	1.1
459.21844	4.3
460.22610	1.2
461.23447	1.0
468.18988	1.5
469.19934	4.1
470.20844	2.9
471.21637	1.5
472.22903	0.4
473.23413	0.7
483.21826	14.1
484.22693	9.2
485.23358	4.7
496.22702	0.4
497.23346	1.0
498.24161	0.7
499.24997	1.2
513.23193	0.5
514.24438	0.5
519.23730	0.9
527.24847	1.5
543.23462	1.6
547.27179	3.1
548.28308	0.4
555.24268	0.4
559.27112	0.6
570.26324	1.6
571.27209	3.4
585.28717	0.5
587.26257	1.6
591.26129	0.4
591.49274	0.8
598.25659	0.5
599.27075	0.7
601.28131	0.5
606.28259	2.1
613.28979	0.5
617.27472	0.7
625.31970	0.4
630.28387	10.0
631.29022	3.8
643.32758	3.9
645.30872	1.2
659.28589	0.4
685.34674	0.7
703.34943	100.0
704.35187	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86575	0.1
52.02367	0.1
53.03962	0.1
55.05511	0.1
56.05037	0.8
57.07063	0.3
58.06625	0.5
60.08168	6.3
65.56306	0.1
67.05511	0.5
69.07056	0.2
70.06601	0.2
71.07378	3.8
71.08634	0.4
71.16149	0.1
79.05482	0.4
81.03391	0.1
81.07062	0.4
83.05011	0.1
85.10167	0.1
86.09711	32.9
87.10020	0.1
89.06049	0.1
91.05494	0.3
93.07044	0.4
95.04990	0.1
95.08625	0.3
98.98475	3.3
104.10751	2.8
107.08607	0.3
109.10184	0.1
119.08606	0.2
125.00012	22.2
133.08650	0.1
143.01105	0.2
166.06195	0.1
179.14342	0.2
184.07352	100.0
184.71507	0.1
185.07642	0.6
269.17780	0.1
401.44846	0.1
496.33868	0.2
540.27197	0.1
590.48639	0.3
670.29657	0.3
702.32251	1.0
702.46997	6.3
703.46826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.0
55.01871	2.1
55.05518	4.8
57.03447	1.6
64.39771	0.6
65.03944	1.4
65.41777	0.6
67.05509	12.7
69.03432	3.0
69.07069	5.0
70.18564	2.1
71.04998	2.2
79.05494	7.8
81.03427	8.2
81.07057	10.9
81.98992	0.7
83.04992	2.0
83.08624	2.0
85.02908	1.8
91.05480	11.0
93.07048	9.9
95.04971	3.5
95.08605	5.7
97.02905	3.2
97.06555	1.9
97.10149	1.6
103.05451	0.7
105.07040	7.1
107.04963	1.6
107.08601	5.0
109.02879	2.1
109.06533	2.6
109.10163	4.6
111.04449	1.8
111.08130	0.7
117.07011	4.0
119.08575	3.9
121.06553	1.5
121.10174	2.2
123.08130	0.9
125.09642	1.1
127.03951	1.4
128.06276	1.1
129.07045	2.4
131.08562	5.3
133.06474	0.9
133.10126	4.2
135.08086	2.2
135.11731	2.0
141.07059	1.2
143.08614	2.7
144.08133	1.0
145.06532	0.9
145.10164	3.0
147.08081	1.7
147.11748	3.1
149.09651	1.1
149.13278	1.7
151.11203	1.5
155.08607	1.7
157.10155	1.8
159.08102	1.1
159.11722	2.0
161.09634	1.0
167.46828	0.7
169.10153	1.7
171.11673	1.1
175.11267	0.9
179.08597	0.8
183.09248	1.2
183.11787	1.3
184.07448	1.1
185.13309	0.7
195.09256	1.2
195.11784	1.3
195.13765	1.0
196.07649	0.7
196.09943	1.6
197.07201	1.1
199.11264	0.8
207.09334	1.3
208.09811	1.2
209.10765	8.2
210.11569	2.2
211.08768	1.9
221.10733	1.7
222.11446	3.7
223.08842	1.4
223.12285	7.1
224.13110	5.2
225.06644	2.0
225.13864	5.0
227.08304	1.1
229.14272	0.8
233.63307	0.8
235.08772	1.7
235.12331	1.1
236.09547	1.0
236.13124	1.9
237.10268	4.1
237.13911	15.0
237.16292	0.9
238.14696	6.8
239.08115	4.4
239.15498	2.1
250.11096	1.8
251.11920	1.7
252.12662	2.3
253.09744	1.7
253.13664	1.3
254.01154	0.7
255.11603	0.9
263.08286	1.9
265.13370	8.4
266.14215	3.4
267.07623	6.6
267.15302	0.9
269.09189	1.5
273.18610	2.6
275.20142	1.6
281.09302	3.4
282.13736	0.7
291.19623	1.9
297.12460	2.4
299.10397	2.2
309.08911	1.3
313.12039	1.2
325.15393	4.1
326.16306	0.8
328.18011	0.7
341.11325	8.1
347.22037	1.0
360.26715	0.8
405.17105	1.3
416.16080	0.8
419.15131	1.3
420.15762	1.0
434.17584	0.9
435.18243	2.6
445.16763	1.0
448.18927	0.9
449.19818	1.4
463.17383	1.8
474.18692	0.9
476.18820	1.4
477.19196	2.1
478.19727	0.8
486.14725	0.8
491.20935	2.4
493.22330	1.1
505.22495	1.3
507.20404	1.1
509.21286	0.9
519.20520	1.5
523.23425	3.1
533.21667	2.2
534.21576	0.8
537.23938	1.3
541.34222	6.8
549.24695	1.0
550.22791	1.2
551.23096	5.0
565.24652	3.2
566.25201	4.0
576.21625	0.8
579.23065	0.8
593.24097	11.1
594.24408	1.1
611.25177	4.9
621.23889	2.1
625.25867	3.8
635.24756	2.0
653.26074	100.0
654.26331	4.9
685.28918	9.8
685.39923	1.4
703.39160	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	701.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.2
57.03445	2.3
57.07068	6.7
67.05501	23.0
69.03426	3.8
69.07065	5.2
71.08633	5.3
71.51740	2.7
78.25287	1.4
79.05499	9.5
81.03416	7.0
81.07059	11.1
83.04975	2.8
83.08641	5.4
85.02906	3.3
91.05490	5.8
93.07048	7.5
95.04955	2.0
95.08629	7.8
97.02913	2.9
97.10184	4.6
105.07024	4.6
107.04955	2.0
107.08577	3.9
109.10163	11.8
117.07033	3.2
119.07272	1.8
119.08575	3.3
120.08129	2.1
121.10165	2.9
124.28719	1.7
125.09665	4.0
129.06953	2.1
131.08572	3.4
132.08188	1.8
132.11052	1.7
133.10182	2.1
135.11705	2.1
145.10161	2.4
148.07663	2.0
149.62927	1.6
162.09164	1.5
173.11842	2.6
184.07413	7.9
227.12845	4.2
235.12175	2.9
237.10225	2.3
239.11890	3.2
239.23898	2.0
245.13953	2.7
249.10518	2.4
249.13788	1.7
251.11893	5.0
253.13600	2.5
255.73306	1.5
261.10236	2.5
263.11835	3.1
272.12576	2.1
277.13498	2.0
290.13016	1.9
292.33301	1.7
307.14581	2.1
313.27344	2.2
318.12607	2.7
320.14209	2.6
322.15594	1.9
335.26135	1.8
353.17685	2.3
363.16342	2.1
367.19308	3.8
378.19186	1.8
380.16815	3.0
381.17230	4.7
391.15506	4.5
395.18951	3.6
396.19550	4.5
397.20337	7.6
404.16199	2.2
405.17062	1.9
407.18829	3.4
421.16800	2.1
423.18204	2.1
424.19034	5.2
425.19852	6.7
434.17245	4.4
435.18222	2.1
437.20016	5.3
447.18289	2.8
449.19836	3.2
451.21918	3.2
461.19678	3.0
462.16760	8.6
465.22928	3.1
467.21103	2.7
467.37323	11.2
477.19150	2.8
479.21249	4.5
480.22287	2.3
481.22092	2.0
482.23331	11.5
483.24091	7.7
484.24783	3.8
489.15546	2.8
493.22354	5.6
494.19244	13.0
507.20364	2.1
510.22446	3.0
511.23441	10.5
512.24280	19.8
517.18884	2.9
521.21796	7.2
522.19403	3.7
525.25372	3.4
538.22302	4.0
539.22870	7.0
548.20703	4.6
549.21362	5.2
553.24341	5.4
554.25250	7.4
563.23108	2.5
567.22272	3.9
577.20801	5.8
581.24219	11.2
594.20898	2.3
595.22162	4.1
598.24255	7.6
599.24664	11.8
608.22711	13.9
609.23157	6.9
613.26685	9.0
623.24847	7.6
626.23773	21.1
627.24426	19.6
641.26086	32.7
651.24689	20.7
669.25665	61.1
670.26660	3.1
701.28198	100.0
702.28510	4.8
731.48358	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	699.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25512	0.3
55.05529	0.5
64.53864	0.3
65.21956	0.4
67.05494	1.3
69.07066	0.5
70.10350	1.2
70.10761	0.6
71.04981	0.3
79.05494	0.9
81.03417	0.6
81.07066	1.4
83.08601	0.4
91.05505	0.7
93.07050	1.1
95.08617	0.6
105.07039	0.8
107.05035	0.3
107.08579	0.5
109.10184	0.8
121.10162	0.4
129.07004	0.4
131.08604	0.4
133.10126	0.7
159.11813	0.3
185.04329	0.4
203.05325	2.2
259.08008	1.3
281.17783	0.3
301.20300	0.4
305.08572	0.4
347.09610	0.9
360.66367	0.5
365.10547	2.9
421.13312	0.5
537.30365	16.4
538.30945	0.8
699.35602	100.0
700.35938	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	699.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01859	0.4
55.05511	1.6
57.03434	2.2
59.05000	0.5
60.67836	0.5
61.02927	3.1
66.40689	0.4
67.05500	5.2
69.03428	2.0
69.07074	1.3
71.01364	0.7
71.04999	2.0
71.51373	0.6
72.98072	0.4
73.02920	2.5
75.71876	0.4
79.05489	5.0
81.03426	4.7
81.07066	3.9
83.04984	1.2
83.08638	1.9
85.02895	3.1
85.06547	0.8
87.04470	0.5
91.03940	2.1
91.05478	3.7
93.07042	3.4
95.04987	1.6
95.08624	1.7
97.02895	3.6
97.06549	1.1
97.10196	1.1
99.04471	0.7
101.02390	1.3
105.07041	1.9
107.04966	0.8
107.08591	2.7
109.02911	1.0
109.06499	0.7
109.10181	1.8
111.08070	0.6
117.07033	0.5
119.08604	1.9
121.10123	2.4
123.11726	0.6
125.09632	0.7
127.03941	1.7
129.07034	0.8
131.08548	0.8
133.10149	1.6
135.08029	0.8
135.11708	3.2
145.10152	0.8
147.11688	0.8
149.09627	1.4
157.10196	0.9
163.11183	1.1
171.11774	0.5
175.11247	0.8
181.12218	0.8
193.12289	1.3
195.11732	0.5
221.11635	0.6
225.14899	0.8
228.80832	0.5
243.08255	2.3
267.15686	0.7
277.14188	0.8
283.15216	2.8
285.10266	0.5
339.18015	0.6
439.19455	7.0
468.04147	0.5
469.20908	0.6
501.23041	7.9
501.29501	0.7
537.30023	0.7
567.34296	0.5
593.97791	0.5
651.66284	0.5
699.35626	100.0
700.35791	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	699.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.2
67.05521	3.0
68.05825	0.5
69.07085	0.7
69.31724	2.7
69.32144	1.9
71.08633	0.8
79.05502	1.7
81.07055	2.2
83.08634	1.3
91.05505	1.8
93.07069	1.1
94.06570	0.7
95.05009	0.8
95.08616	1.2
99.08076	0.7
105.07034	1.2
107.04985	0.7
107.08585	0.6
109.06557	0.7
118.06582	0.7
119.08678	0.6
119.59237	0.5
121.10158	0.9
131.08528	0.5
133.10120	0.6
158.09752	0.7
197.10793	0.6
206.48157	0.5
208.10022	1.0
209.10776	1.0
220.09990	0.8
221.10742	1.0
223.08917	0.7
223.12318	2.0
223.30388	0.5
224.13274	0.6
225.10263	0.6
225.13878	1.0
235.08734	0.7
235.12367	1.3
237.10387	0.7
237.13899	2.6
249.10382	0.8
251.08298	0.9
253.13608	0.6
265.09778	0.9
295.11377	0.6
295.14362	3.0
319.15753	0.5
326.24509	0.6
328.15057	0.6
338.12741	0.7
342.12405	0.8
354.12598	1.2
354.16382	0.7
375.12827	0.5
387.16772	0.7
388.12866	0.6
389.13525	0.9
397.75363	0.7
398.15875	0.6
402.14368	0.9
403.15570	0.9
403.24738	0.6
415.15662	1.6
416.15802	0.8
417.17065	1.5
430.18204	0.9
431.18750	1.5
441.16986	2.0
443.15222	2.0
444.15799	1.2
445.20905	0.9
455.18860	1.4
457.16800	2.2
458.16632	1.0
458.21857	0.9
459.17435	1.2
461.20255	1.2
471.21857	2.3
473.19760	4.7
474.20947	1.2
475.21701	1.1
477.18796	1.1
485.15775	1.2
486.16840	1.2
487.22034	5.2
488.22235	2.3
489.19440	1.6
499.21832	3.0
501.19330	8.0
502.20145	2.6
503.19882	0.7
505.22229	0.9
515.20886	9.4
516.21649	9.6
517.22180	2.1
519.24268	0.8
520.24420	0.8
526.20056	0.9
527.20929	1.3
531.24554	0.7
533.21985	3.1
543.20319	1.2
547.23584	3.4
548.24158	1.1
549.20288	0.6
557.21790	1.3
559.23474	0.6
561.21063	0.9
575.22815	10.5
576.23456	1.1
579.25739	1.0
586.22388	1.0
603.22552	0.7
607.25470	5.9
608.26294	0.7
617.24109	3.2
618.24719	0.7
635.25049	100.0
636.25507	6.8
639.28168	1.5
649.26727	12.3
650.26862	0.7
667.27649	9.4
699.30237	2.2
699.43170	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.6
55.01867	7.9
55.05516	38.6
57.03432	10.8
57.07080	11.8
59.04984	2.7
63.04472	1.9
65.03945	4.4
67.05509	100.0
69.03420	3.1
69.07072	36.5
71.04993	12.0
71.08640	20.5
71.24690	4.0
77.03919	2.2
79.05496	66.4
81.03419	9.8
81.07064	90.9
83.05000	14.4
83.08629	15.0
85.06552	4.1
85.10177	9.8
91.05482	48.8
93.07051	78.2
95.04976	21.9
95.08614	72.6
95.09066	1.2
97.06522	12.1
97.10201	10.8
99.08089	19.4
100.19390	1.9
105.04561	3.3
105.07037	37.3
106.57594	1.8
107.04977	2.7
107.08591	38.7
109.06512	7.5
109.10170	23.8
111.08083	4.3
113.09657	17.2
114.09874	2.4
115.05476	3.3
117.07032	13.5
119.08590	24.2
121.06516	2.5
121.10145	34.0
123.08067	3.9
123.11708	9.7
125.09639	10.7
128.06183	2.3
129.07007	4.9
131.08578	23.2
133.10135	19.9
135.08057	4.9
135.11716	12.6
137.09608	2.9
138.29820	2.5
139.11195	14.1
141.07076	2.5
141.12781	5.0
143.08574	7.0
145.10112	13.7
147.08101	2.2
147.11702	15.5
148.27573	1.8
149.09624	8.8
149.13274	9.9
151.11189	14.3
153.12769	2.4
155.08543	2.5
155.10692	5.0
157.10141	9.2
159.11726	8.9
161.09671	4.0
161.13248	9.0
163.11197	10.6
165.12767	11.0
167.14307	2.4
169.12259	4.1
171.11746	4.7
173.11908	2.8
173.13289	4.9
175.14850	4.1
177.12785	4.9
179.14330	3.6
181.12213	2.3
183.13832	3.5
185.13322	4.8
189.11270	3.9
193.12251	2.8
199.14952	2.4
203.12785	4.2
221.15364	3.6
231.21143	2.9
239.16496	6.6
241.14365	7.7
241.19727	5.1
259.15356	5.9
259.20547	10.2
261.22110	2.0
264.27222	3.0
269.17471	4.4
277.21631	39.4
295.22708	22.5
333.24268	2.7
335.25897	4.9
351.25211	14.3
369.26291	2.9
463.30795	2.4
515.37354	2.9
529.38861	13.4
563.91663	2.4
611.46716	3.9
642.51080	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	698.52
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01876	7.6
55.05268	2.6
55.05515	36.0
57.03448	11.5
57.07067	5.6
65.03956	3.8
67.05510	92.4
69.03430	3.4
69.07072	28.8
70.63249	5.8
71.04981	5.7
71.08635	25.3
71.82851	1.8
79.05497	64.4
81.03436	11.4
81.07061	100.0
83.04990	14.1
83.08627	25.3
85.06547	6.4
86.94472	1.9
91.05486	51.6
93.07048	77.0
95.04987	14.2
95.08611	48.6
97.06544	13.3
97.10167	7.0
99.08100	16.3
103.05441	2.7
105.04531	2.4
105.07031	38.8
107.04948	4.7
107.08603	39.0
109.06526	7.5
109.10172	15.7
111.08070	9.6
113.09641	3.1
115.05445	2.4
117.07013	15.0
119.08586	19.9
121.06512	4.4
121.10139	19.4
123.08067	2.5
123.11687	5.7
125.09637	4.8
129.06993	6.8
131.08572	20.5
133.10141	22.6
135.08029	3.9
135.11713	18.4
139.11179	5.0
141.12692	2.8
143.08575	6.9
145.10123	13.0
147.11679	9.4
149.09641	2.8
149.13286	24.5
151.11183	22.4
155.08517	2.5
155.10617	2.7
157.10147	5.0
159.11697	14.0
161.09654	2.9
161.13237	9.8
163.11171	15.7
163.14755	2.1
165.12744	2.5
171.11679	4.3
173.13249	6.2
175.14836	5.6
175.98866	2.0
177.12778	7.5
179.14334	5.1
185.13283	5.2
187.14870	2.2
189.11214	3.5
195.13800	14.4
197.13275	2.1
199.14812	3.7
207.13869	2.5
213.14816	3.1
227.12862	5.5
231.21175	3.2
241.19458	3.6
251.16420	2.6
259.20657	10.8
267.15833	2.7
269.17499	47.0
277.21646	28.8
295.22717	3.1
334.38217	2.5
351.25287	32.1
367.24762	3.0
369.26523	2.4
417.30869	2.3
431.27972	2.6
435.32797	4.0
445.29422	7.4
447.30969	2.2
453.33545	2.7
463.30603	53.3
464.31195	2.3
489.35892	2.2
527.37036	5.3
545.38409	36.6
563.39423	5.9
627.45966	3.1
698.42950	2.7
699.44092	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	698.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.8
53.03952	6.9
53.74537	1.2
55.01878	7.0
55.05513	40.3
57.03441	12.8
57.07083	6.7
63.25094	1.5
65.03939	6.5
67.05507	100.0
68.05816	1.5
69.03411	3.2
69.07069	31.2
69.19909	13.7
71.04999	6.7
71.08636	24.7
71.09513	1.3
79.05497	72.1
81.03409	7.2
81.07059	100.0
83.04992	18.0
83.08622	23.1
85.06537	5.6
85.10193	1.6
90.17637	1.4
91.05486	64.2
93.07047	80.8
95.04971	20.4
95.08611	53.8
95.09080	0.8
97.06534	14.5
97.10176	11.6
99.08096	22.3
101.60299	1.2
105.04504	3.3
105.07037	38.5
107.04945	4.7
107.08594	35.8
109.06514	5.4
109.10147	15.2
111.08099	8.5
113.09656	4.3
115.05460	1.9
117.07014	16.2
119.08587	23.3
121.06493	5.9
121.10138	20.6
123.08067	3.5
123.11706	6.8
125.09628	10.3
129.07027	8.2
131.08580	23.1
133.10133	26.1
135.08087	4.4
135.11694	17.8
137.09618	5.4
139.11179	6.0
141.07047	2.0
143.08582	8.1
145.10130	12.6
147.08041	1.5
147.11720	14.9
149.09625	2.7
149.13269	23.3
149.28233	1.3
151.11186	23.7
153.09097	1.7
155.08530	3.8
157.10161	6.5
159.11700	15.4
161.09615	1.6
161.13243	13.9
163.11180	17.4
163.14839	3.7
165.12759	4.9
167.14305	1.8
169.10107	2.1
171.11711	7.0
173.11847	2.5
173.13281	4.2
175.14842	5.1
177.12772	6.1
179.14331	9.0
183.11784	2.1
185.13203	3.6
187.14828	3.1
189.11255	7.0
191.14359	1.5
195.11836	2.5
195.13789	11.8
197.13278	2.6
199.14806	3.1
201.13177	1.2
201.16595	1.7
203.14305	1.3
203.41853	1.3
213.16570	2.2
217.19524	1.4
221.15410	1.7
227.12747	11.0
231.21126	2.0
238.32309	1.4
241.19484	5.4
251.16426	3.4
253.17958	2.8
259.20569	9.5
261.22116	1.5
267.15979	2.5
269.17487	37.4
277.21643	32.7
295.22665	3.2
315.23129	1.5
333.24338	2.4
351.25336	32.0
353.24908	1.4
367.24707	3.6
369.26376	1.8
389.26849	1.8
421.25516	1.7
423.27505	1.5
431.28110	2.4
435.32294	3.1
445.29520	3.3
447.31296	2.6
453.33624	4.3
463.30548	39.0
471.34732	2.6
517.39197	1.6
527.37189	5.7
529.38885	2.0
545.38458	39.0
546.38348	1.7
563.39240	4.2
615.40424	1.6
627.45959	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	698.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
53.67672	1.6
55.01862	8.3
55.05513	43.2
57.03443	11.0
57.07081	11.4
63.02431	2.1
65.03932	5.9
66.72018	1.7
67.05509	91.6
69.03419	3.8
69.07069	36.3
71.01346	2.2
71.04988	7.0
71.08639	19.7
71.51298	2.9
74.77779	1.9
79.05495	70.4
81.03423	10.6
81.07059	100.0
83.04992	17.3
83.08620	26.2
85.06536	4.9
85.10200	2.5
91.05482	56.7
93.07045	78.0
95.04961	20.4
95.08611	51.9
97.06528	12.2
97.10175	10.3
99.08092	20.0
105.04499	3.3
105.07030	41.9
106.07426	3.1
107.04938	4.3
107.08589	42.2
109.06526	6.0
109.10178	18.7
111.08090	7.2
113.09670	2.9
117.07030	18.1
118.06567	4.8
119.08587	25.7
121.06501	6.4
121.10159	20.6
123.08037	6.4
123.11719	7.6
125.09621	9.1
129.07005	9.2
131.08578	23.2
133.10136	26.5
135.08054	3.4
135.11676	14.2
137.09610	4.8
139.11176	7.1
143.08578	7.4
145.10149	9.1
147.08051	3.6
147.11714	10.7
149.13258	19.3
151.11166	15.5
155.08554	4.0
157.10149	6.1
159.11694	12.0
161.09689	2.6
161.13249	10.8
162.09125	4.0
163.11237	11.5
165.12802	5.3
169.10199	3.1
171.11658	5.8
173.11810	2.7
173.13235	4.7
175.11200	2.7
175.14871	5.9
176.10741	6.1
177.12772	6.7
179.14336	5.8
183.11688	3.2
184.07343	3.4
185.13232	4.9
187.14909	2.8
189.11145	2.5
189.12741	2.2
194.11794	5.4
195.13786	13.9
199.14854	4.1
209.13438	1.9
215.14305	2.1
227.12776	6.8
230.15474	4.4
241.19579	3.2
251.16298	3.8
259.20654	8.1
262.17987	2.2
269.17477	36.8
274.17926	6.2
277.21588	26.7
292.19083	10.6
295.22714	2.6
304.19131	2.4
346.20135	2.8
351.25281	25.8
353.24884	2.7
355.25546	2.6
367.24664	4.0
375.50876	2.0
389.26971	2.4
425.34912	3.0
431.28366	2.8
445.29318	5.5
447.31375	3.0
449.28894	2.2
453.33435	2.3
463.30515	41.2
527.37292	5.7
530.61853	2.1
545.38306	29.8
563.39630	5.3
586.44653	12.3
604.45422	5.0
698.43512	42.4
699.43652	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	697.341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05508	1.5
57.03434	1.4
61.02936	3.2
67.05506	3.6
69.03445	2.6
69.07066	0.9
70.62888	1.2
71.04999	1.5
73.02922	2.4
79.05505	2.8
81.03433	4.8
81.07077	3.3
83.04997	1.4
83.08626	1.7
84.29160	0.4
85.02904	5.7
86.09705	1.4
90.54513	0.4
91.03970	1.9
91.05485	3.9
93.07050	2.4
95.04987	2.7
95.08629	1.4
97.02901	2.9
97.06525	0.6
99.04476	0.9
101.02386	1.5
105.07046	2.8
107.04984	0.5
107.08622	1.2
109.02903	0.8
109.06520	0.5
109.10168	1.4
111.04456	0.7
111.08100	0.8
119.08578	1.9
121.10172	1.6
123.04437	0.6
123.08067	0.5
125.00040	0.8
127.03931	1.2
129.07036	0.9
131.08603	1.6
133.10147	1.6
135.08049	0.7
138.89409	0.4
147.11734	1.7
149.09686	0.9
151.11182	0.6
157.10184	1.1
163.11252	0.5
175.11227	1.4
184.07404	1.9
193.12247	2.8
211.13399	1.3
235.13246	0.5
243.08449	1.8
243.25861	0.5
251.12576	3.1
271.04242	0.5
307.15302	1.3
365.03091	0.4
468.18991	0.5
469.20432	11.6
513.46649	0.5
535.29767	0.5
573.96637	0.6
697.34058	100.0
698.34283	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	698.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
53.67923	1.6
55.05268	2.5
55.05513	31.8
57.03437	8.5
57.07080	17.0
61.02931	31.0
65.03942	1.8
67.05510	44.0
69.03424	3.9
69.07072	50.3
69.49670	12.4
71.04990	3.4
71.08622	13.5
72.08195	1.8
73.02915	10.3
74.09694	1.8
75.04481	3.1
79.05498	20.9
81.03436	4.1
81.07063	46.2
83.05008	2.0
83.08147	3.1
83.08626	42.6
85.02420	3.1
85.02911	31.7
85.06550	3.3
85.10182	5.1
85.71317	1.4
87.48646	1.6
91.03963	25.2
91.05502	2.8
93.07049	26.5
95.08614	51.5
97.02904	14.5
97.06556	9.6
97.07071	1.6
97.10173	27.0
98.20787	3.5
99.04481	2.4
99.08143	2.6
102.90023	1.5
105.07070	3.2
107.08597	21.2
109.10162	22.3
109.10855	2.7
111.08099	6.7
111.11753	9.4
121.10156	39.7
121.10944	1.6
123.11720	6.7
125.09659	3.8
125.13262	1.5
127.03913	11.2
135.11691	30.2
137.13225	4.0
139.11206	4.6
145.04958	11.1
149.13275	14.1
151.14816	3.0
153.12804	2.1
155.36674	1.8
163.06053	16.1
163.14880	4.9
165.16394	5.4
177.16411	3.4
179.04840	1.9
186.28189	1.6
190.61334	1.6
209.18935	1.5
247.24236	38.8
265.25281	91.9
266.25684	3.8
283.26230	18.5
339.28961	100.0
340.29224	4.1
357.29999	45.3
358.30573	1.8
501.34213	5.0
553.23322	1.9
649.76215	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	697.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	9.4
57.03426	2.8
60.06049	1.5
68.98289	1.5
69.03436	7.8
71.50339	2.4
73.02926	3.5
81.03419	3.2
85.02918	18.0
89.48978	1.4
97.02911	11.7
98.97600	19.7
101.00883	12.9
109.02898	2.0
110.97572	6.6
113.00854	2.7
116.98618	7.3
119.01944	19.7
127.02423	2.0
127.03894	6.2
128.98608	6.5
131.01938	11.2
133.03462	2.2
134.99701	1.7
137.02951	2.2
143.00145	4.4
143.01915	22.1
145.03510	13.3
145.04947	5.3
146.99681	3.7
147.01401	2.7
152.02371	2.9
153.01857	12.7
155.01920	34.1
157.03529	9.4
158.99666	5.2
161.01314	3.1
161.02969	22.5
167.01848	11.1
169.03487	5.4
170.99623	6.3
171.05107	1.8
173.02991	44.2
174.98837	2.1
177.00671	2.5
179.01973	4.3
181.03477	2.4
182.99608	3.0
183.05069	2.1
185.02989	44.2
187.04539	6.1
189.00813	4.3
191.01932	2.9
191.03915	2.0
192.99829	1.8
197.03012	12.9
199.04497	2.6
201.00726	6.9
203.04048	18.3
209.02965	5.6
211.00890	12.5
211.04642	2.1
213.00655	2.5
215.04013	10.1
219.01659	11.5
221.04977	9.1
223.04707	1.7
227.04048	13.9
229.02002	3.5
237.02803	10.2
239.03983	4.1
243.01846	2.5
245.05113	100.0
246.05217	2.3
247.00752	2.2
247.03008	6.0
251.04027	2.0
253.02019	9.1
253.05571	2.1
254.05635	2.5
257.05084	7.1
261.02768	8.4
263.03738	2.4
263.06250	10.8
269.05075	2.0
271.03061	21.0
273.08102	5.5
273.58328	2.3
275.06064	10.9
279.03867	4.8
279.58368	1.7
283.07263	2.1
284.06659	3.4
285.04565	3.2
287.06290	3.7
293.07196	3.6
295.02963	3.7
301.03891	2.2
303.01294	2.2
305.07208	25.3
307.03043	6.8
311.06165	5.7
313.04132	4.3
319.12299	3.8
321.04895	3.1
325.04016	3.2
329.07108	1.8
335.08301	4.8
337.03979	7.1
347.08517	3.0
353.59018	2.1
355.05142	47.0
355.09671	2.8
356.08282	3.4
365.09479	9.8
373.06229	57.4
407.10364	13.3
415.07214	48.8
416.06708	2.6
427.06897	4.5
433.06589	1.8
445.08585	8.8
464.83224	1.6
475.09402	3.8
478.97440	1.7
497.06961	4.2
517.10199	5.2
526.78168	1.6
535.11322	12.7
618.69501	2.0
697.15387	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	697.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58253	0.4
53.03959	0.8
54.90684	0.3
55.01875	0.7
55.05509	1.1
57.03446	2.2
61.02934	3.6
67.05504	2.2
68.43970	0.3
69.03438	2.5
69.07086	0.7
71.04990	0.8
71.31687	0.5
73.02923	2.5
79.05502	2.3
81.03425	5.9
81.07060	2.8
81.12996	0.3
83.04999	1.4
83.08627	1.5
85.02912	6.9
85.03384	0.6
85.06511	0.3
86.09711	0.7
87.04477	0.5
91.03968	2.6
91.05482	3.4
93.07033	2.0
95.04967	2.4
95.08622	1.2
97.02901	3.7
97.06525	0.4
97.10191	0.5
99.04505	0.7
101.02413	1.8
103.03979	0.3
105.07027	2.4
107.04990	0.7
107.08602	0.6
109.02905	0.9
109.06518	0.5
111.04455	0.5
111.08096	0.9
113.06013	0.4
115.03914	0.4
117.07025	0.4
119.08585	2.1
121.10179	0.9
124.99973	0.5
127.03944	1.5
129.07025	1.2
131.08582	1.3
133.10152	1.3
137.09669	0.4
142.07774	0.5
147.11713	1.4
149.09637	0.6
157.10110	1.8
169.56358	0.3
175.11267	1.4
184.07410	1.3
193.12224	2.2
211.13396	1.4
243.08472	2.0
251.12543	2.1
269.32111	0.4
285.10828	0.4
285.16971	0.7
307.15225	0.5
352.72485	0.3
370.17184	0.4
424.69458	0.4
469.20517	12.8
535.30981	0.8
697.34088	100.0
698.34363	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	697.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08252	2.6
56.96573	25.2
71.50856	4.9
84.96043	20.1
85.02888	4.6
85.68373	2.9
97.02900	4.8
98.97594	94.3
110.97571	36.1
112.99140	4.7
116.98640	35.3
124.99128	4.7
127.03863	3.0
128.98621	26.3
131.00186	2.9
132.95874	2.5
134.99678	3.9
140.98604	7.7
143.00175	23.7
143.87213	2.8
144.98051	2.7
145.01715	2.4
146.99670	12.6
147.04430	2.7
152.98604	10.6
153.01884	12.2
155.00075	2.5
158.99664	28.6
161.01273	25.2
161.02528	3.7
162.99057	3.4
167.00096	2.3
167.05394	2.3
170.99680	29.5
177.00745	18.4
182.99669	20.0
185.01318	2.8
185.02896	2.9
189.00760	18.3
194.99683	4.3
198.99028	2.8
201.00723	66.1
207.01790	3.4
210.99155	15.4
213.00703	7.6
219.01788	67.5
224.43671	2.5
227.02362	3.4
229.00192	42.8
231.01790	2.8
237.02823	44.9
243.01749	16.3
245.67389	2.2
247.01173	3.0
253.00153	6.2
255.04111	4.0
261.02847	64.8
271.01196	9.4
273.02841	6.9
277.00085	3.0
279.04019	26.9
289.00143	2.5
291.03851	8.9
293.03302	5.0
295.01431	3.8
297.02829	3.2
313.02167	3.5
318.16718	2.6
321.05051	24.8
333.05057	2.8
337.02444	8.5
351.05917	3.4
355.03387	44.7
359.41068	2.5
372.99756	5.0
373.04459	87.5
381.06790	2.8
391.05490	5.8
399.07599	2.8
415.05511	100.0
427.05356	7.5
433.06543	6.9
445.06479	9.8
517.08582	9.4
535.09833	4.1
588.07178	2.6
697.03796	3.3
697.15045	53.9
719.92285	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.0
55.01876	12.2
55.05267	3.0
55.05514	36.2
57.03447	12.2
57.07090	9.3
65.03935	6.8
67.05510	100.0
67.40144	1.6
68.05868	2.5
69.03423	4.4
69.07072	31.6
69.82278	10.0
71.04999	7.9
71.08639	13.6
71.80200	1.7
79.05499	65.8
81.03429	16.8
81.07064	91.7
83.04992	22.6
83.08628	21.3
85.06537	8.1
85.10192	2.5
91.05489	70.1
93.06481	4.2
93.07050	72.3
95.04982	28.8
95.08617	48.0
97.02920	3.7
97.06517	16.1
97.10180	5.9
99.08105	16.4
105.04535	3.4
105.07042	58.2
107.04967	14.3
107.08604	49.7
109.02847	2.2
109.06560	10.6
109.10168	42.6
111.04401	2.6
111.08086	8.0
113.09635	4.3
115.05434	3.2
117.07011	16.7
119.08588	30.2
121.06499	6.4
121.10147	20.6
123.04475	3.7
123.08075	10.4
123.11720	11.6
125.09644	9.4
129.07007	6.5
131.08572	20.4
133.06537	3.6
133.10141	61.7
135.08049	6.7
135.11702	16.6
137.09636	16.3
139.11188	3.2
143.08525	5.6
145.10107	16.9
147.11699	12.4
149.09610	7.1
149.13264	15.3
151.11194	43.4
153.12801	3.5
157.10110	4.4
159.11697	10.6
161.09596	3.1
161.13257	7.3
163.11179	19.9
163.14835	5.3
165.09116	5.4
165.12790	3.1
169.12248	3.8
171.11731	6.0
173.13316	6.1
175.11070	2.9
175.14850	2.0
177.12750	6.9
179.14313	5.6
183.11676	2.2
184.07330	2.4
185.13287	2.7
187.14775	2.0
189.12671	2.1
191.14447	2.3
193.12180	2.2
195.13818	9.2
201.12685	2.6
239.18054	2.5
247.20662	6.8
253.14375	39.3
257.18973	5.1
259.20599	5.2
269.17459	20.1
275.20081	47.0
277.21558	13.2
293.21054	21.2
349.23740	16.9
351.25397	26.9
367.24808	23.5
447.27316	3.8
465.28555	3.6
510.75089	2.0
543.36523	10.9
561.37939	61.6
562.37946	2.9
643.45477	5.9
716.45203	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	696.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.01875	9.5
55.05268	2.6
55.05514	35.8
57.03445	14.2
57.07088	7.6
65.03925	6.6
67.05506	91.6
69.03413	3.4
69.07069	39.4
71.04971	4.1
71.08636	14.7
77.31370	1.5
79.05497	71.0
81.03413	14.1
81.07058	100.0
81.12109	1.5
83.04974	15.6
83.08623	19.5
85.06554	7.5
91.05488	64.7
93.07050	77.9
95.04974	15.4
95.08607	46.8
97.06532	17.2
97.10154	8.6
99.08093	12.8
103.05400	1.5
105.04499	2.3
105.07037	51.1
107.04935	6.8
107.08598	43.0
109.06539	7.6
109.10167	16.8
111.08081	9.9
113.09649	3.6
115.05475	2.4
116.06231	1.7
117.07018	23.4
119.07803	2.7
119.08594	32.1
121.06503	5.2
121.10141	22.0
123.08059	6.6
123.11691	5.2
125.09642	7.7
128.06204	3.3
129.06972	10.8
130.07784	3.8
131.08565	23.9
133.10138	26.3
135.08037	5.9
135.11681	17.9
137.09625	4.5
137.13257	2.1
139.11205	3.1
141.07037	2.2
143.08560	8.3
145.10126	20.2
147.08086	3.4
147.11685	16.5
149.09639	9.8
149.13245	14.9
151.11180	14.8
155.08548	5.1
156.98334	1.7
157.10161	7.4
159.11708	16.5
161.09644	2.5
161.13300	9.2
163.11206	15.0
163.14822	3.4
165.12759	3.6
167.08592	2.2
167.14413	1.7
169.10141	4.2
171.11678	7.4
173.13264	6.1
175.11238	3.3
175.14828	2.8
177.12758	6.9
179.14322	7.1
181.12204	2.6
183.11696	3.3
184.07399	2.5
185.13237	3.5
187.14809	2.9
189.11162	4.6
189.12726	2.4
193.12286	2.2
195.12080	2.2
195.13757	11.7
197.13239	3.4
199.14883	2.5
201.16321	2.1
209.13339	1.7
213.14705	2.3
217.15855	1.8
221.15190	1.7
227.12767	7.9
229.14319	2.3
229.19540	3.1
239.17989	2.0
247.20647	2.7
255.15877	8.6
257.18991	6.9
259.20639	5.8
267.15915	3.3
269.17462	32.0
274.65799	1.5
275.20108	23.8
277.21732	13.8
293.20975	1.7
295.23102	1.8
347.12711	1.6
349.23776	13.0
351.25360	15.1
365.23123	2.4
367.24789	1.9
431.28561	2.2
445.29434	2.6
447.30884	2.9
449.28925	14.6
463.30539	28.0
505.39114	13.7
513.35364	1.8
525.36029	1.9
527.37097	2.5
531.36603	3.0
543.36865	18.6
545.38440	12.8
561.38043	2.5
625.43835	2.6
699.16138	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	696.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.9
55.01871	7.3
55.05260	3.5
55.05509	30.7
57.03441	13.5
57.07072	4.5
65.03940	6.2
67.05510	82.8
69.07070	35.1
69.57841	1.7
69.80746	9.3
71.04992	5.3
71.08634	13.5
77.03948	2.1
79.05499	74.7
81.03425	10.2
81.07063	100.0
83.04987	14.1
83.08615	19.8
85.06548	6.0
91.05481	58.1
93.07052	75.6
95.04978	22.5
95.08619	46.7
95.09085	1.2
97.06536	16.8
97.10169	5.9
98.20779	1.9
99.08103	12.2
105.04546	2.5
105.07039	40.5
107.04955	5.4
107.08601	42.4
107.09306	2.8
109.06523	6.6
109.10148	16.4
111.04384	1.9
111.08098	8.1
113.09631	3.1
117.07030	22.8
119.08577	31.5
119.09364	2.5
121.06536	5.5
121.10156	25.7
123.08073	5.6
123.11695	6.1
125.09648	4.6
128.06166	2.6
129.06981	8.8
131.08577	23.3
133.06532	2.7
133.10144	27.7
135.08078	8.1
135.11720	22.9
137.09639	3.3
139.11232	3.2
141.07033	3.0
143.08574	4.4
143.79625	1.7
145.10147	16.7
147.08078	2.9
147.11708	13.5
149.09608	10.9
149.13264	18.7
151.11177	15.8
155.08553	4.8
157.10114	7.2
159.11671	15.0
160.11993	1.9
161.13272	8.6
163.11183	15.4
165.12691	4.7
169.10194	3.9
171.11688	5.8
173.09625	2.0
173.13260	6.5
175.11179	2.4
175.14868	4.5
177.12764	10.2
179.14348	7.3
183.11729	4.3
185.13307	4.9
187.14754	2.3
189.11214	2.1
189.12885	2.3
195.12105	2.6
195.13820	15.2
197.13403	2.6
199.14873	2.5
215.18044	2.1
227.12851	6.2
255.15900	12.2
257.19061	4.9
259.20563	5.9
267.15881	4.0
269.17490	43.4
275.20126	20.8
277.21689	14.9
293.21216	3.9
333.24341	2.2
349.23715	13.9
351.25305	18.4
353.24738	2.0
367.24893	4.4
431.28424	2.6
445.29529	2.7
449.28860	19.8
461.29510	2.0
463.30554	37.2
531.36560	2.4
543.36920	14.4
545.38513	9.9
561.37555	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	696.5042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01869	6.1
55.05272	2.1
55.05514	26.2
55.97077	1.2
57.03447	7.2
57.07063	4.3
65.03934	3.1
66.10844	1.3
67.05506	56.9
69.03421	3.0
69.06727	1.9
69.07071	25.8
71.04991	7.1
71.08630	25.0
79.05498	36.1
81.03407	7.9
81.07058	52.2
83.04988	7.6
83.08618	11.4
85.06521	3.6
85.10146	3.2
91.05488	29.9
93.07044	42.0
95.04959	11.6
95.08605	32.5
97.06532	10.2
97.10159	7.6
99.08092	19.9
100.84129	1.3
105.04503	1.7
105.07037	23.6
107.04951	4.0
107.08590	19.6
109.06524	12.1
109.10152	11.2
111.08059	3.0
112.22715	1.2
113.09634	4.0
115.07566	1.4
117.07024	9.8
119.08604	14.7
121.06501	6.3
121.10149	13.0
123.08070	4.6
123.11691	3.7
125.09634	5.6
129.07004	5.6
131.08569	10.4
133.10121	9.3
135.08049	2.7
135.11725	6.3
137.09590	3.0
139.11186	4.4
141.12798	1.6
143.08530	3.7
145.10132	7.9
147.08017	2.0
147.11708	8.6
149.09636	6.2
149.13309	7.8
151.11203	12.3
157.10133	2.1
159.11656	5.9
161.13280	4.8
163.11172	7.0
164.67564	1.3
165.12732	5.8
167.10669	3.0
171.11696	3.7
175.11115	1.4
175.14764	2.2
177.12762	5.5
179.14314	4.1
185.13152	3.0
187.14748	1.6
189.11212	3.9
189.12743	2.0
195.13797	3.7
201.16367	1.7
227.12793	3.9
233.15370	1.6
241.19501	2.7
257.18842	3.1
259.15564	1.2
259.20557	4.2
265.21600	1.6
269.17542	7.8
275.20053	12.9
277.21664	14.3
281.17688	1.8
293.21115	100.0
294.21475	2.3
295.22653	4.4
349.23706	3.8
351.25391	10.3
367.24786	15.3
561.37836	36.0
643.45544	5.4
657.91461	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01874	2.1
55.05514	20.3
57.03441	8.3
57.07080	11.6
61.02932	27.6
63.27234	1.5
67.05510	86.6
69.03444	3.9
69.07076	30.6
71.04991	3.8
71.08648	5.9
73.02920	11.3
79.05492	25.6
81.03430	4.8
81.07065	93.6
83.08630	20.7
85.02433	3.0
85.02908	37.2
85.06540	2.4
86.18305	1.6
90.21509	1.5
91.03962	21.9
91.05494	17.9
93.07042	27.3
95.04967	4.4
95.08614	81.8
97.02888	16.6
97.06533	8.9
97.10179	10.8
99.08086	4.1
105.07053	16.3
107.08602	19.6
109.10163	47.3
111.04509	1.9
111.08083	6.9
111.11731	3.3
113.09682	3.7
115.03899	1.7
116.72308	1.8
119.08585	14.6
121.10162	23.6
123.08105	2.7
123.11727	21.9
125.09654	2.1
125.13224	2.2
127.03913	8.5
127.11219	2.0
133.10136	23.7
135.11717	12.9
137.09644	2.1
137.13271	6.8
139.11192	2.9
140.90540	2.0
141.12753	3.3
145.05003	12.7
147.11722	13.2
149.13280	12.5
151.11247	2.9
151.14873	8.4
155.14273	4.2
161.13261	17.7
163.06039	18.2
163.14833	11.3
165.16397	11.0
173.11786	1.7
175.14792	12.6
177.16396	2.0
179.14223	1.9
179.17993	7.8
181.15981	2.5
189.16388	4.3
193.15923	2.7
245.22667	64.5
251.16212	2.6
263.23721	100.0
264.24088	2.5
265.04669	2.4
265.25446	2.2
275.20267	1.7
327.94690	2.2
337.27405	66.8
355.28421	13.1
499.32687	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	695.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05498	1.4
57.03429	2.0
60.08153	1.2
61.02932	4.1
67.05507	4.5
68.05837	0.4
69.03420	1.6
69.07062	1.3
71.04994	1.1
71.24811	1.0
73.02928	2.1
79.05502	3.9
81.03424	5.6
81.07060	4.4
83.04966	1.4
83.08630	1.7
85.02909	5.0
86.09706	4.6
91.03951	1.6
91.05485	4.7
93.07059	4.2
93.08260	0.4
94.07369	0.8
95.04974	2.2
95.08598	2.7
97.02881	3.9
97.06528	1.1
99.04478	1.1
101.02390	1.0
105.07030	2.7
107.04951	0.8
107.08560	2.4
109.02887	0.9
109.06563	0.6
109.10166	1.7
111.08089	0.7
119.08599	2.5
121.10162	1.4
125.00021	2.6
127.03957	0.9
128.18713	0.4
129.07024	1.4
131.08540	1.1
133.10135	1.4
135.11694	3.2
142.07755	0.6
145.10126	1.8
147.11702	1.2
157.10188	0.7
163.11195	3.4
175.11227	0.7
181.12296	0.7
184.07344	14.7
185.07738	2.2
193.12259	1.7
194.12526	0.6
211.13354	1.3
219.10020	0.5
222.57845	0.5
227.12860	2.1
243.08508	2.5
249.11002	6.9
251.12656	0.5
259.51715	0.5
267.16025	1.0
268.16052	0.5
285.17133	0.7
286.17078	0.5
305.13672	1.5
365.55264	0.5
440.27393	1.1
448.27884	1.1
462.29468	0.9
466.28601	0.6
467.18890	7.3
469.20468	8.6
480.30240	0.6
498.31207	1.0
695.32422	100.0
696.32849	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	695.3251
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
52.55655	0.4
53.03938	0.9
55.01861	0.9
55.05519	2.4
55.58207	0.4
56.57763	0.4
57.03442	2.8
59.05003	0.7
60.08159	1.5
61.02943	3.8
66.80659	0.4
67.05508	6.7
68.05847	0.6
69.03442	3.1
69.07060	1.7
69.68246	2.9
71.01363	0.5
71.04993	1.5
71.07391	0.7
73.02918	3.2
79.05499	4.8
81.03426	8.6
81.07058	6.8
82.03754	1.0
82.07397	1.0
83.04981	2.2
83.08638	2.9
84.08967	0.6
85.02922	5.9
86.09720	6.4
87.10042	0.7
91.03980	3.5
91.05483	5.2
93.07053	5.1
94.07381	0.9
95.04994	2.5
95.08619	1.6
97.02909	4.1
97.06547	1.3
97.10142	0.5
98.20976	1.1
98.21526	0.5
98.98474	0.8
99.04482	0.9
101.02380	1.1
103.03991	0.5
105.07030	3.1
107.04975	1.6
107.08620	2.2
109.06520	0.8
109.10170	1.6
110.10507	0.6
111.04455	0.5
111.08086	1.1
117.07071	0.7
119.08607	2.4
121.06499	0.6
121.10159	1.7
122.10503	0.5
123.08102	0.9
123.11758	0.5
125.00011	5.0
127.03970	1.3
129.07066	1.6
131.08597	1.9
133.10135	1.6
135.08167	0.5
135.11694	1.3
142.95496	0.5
145.05069	0.7
145.10191	1.6
147.08098	0.8
147.11699	1.6
157.10167	1.8
158.10388	0.5
163.11185	2.1
165.09213	0.5
168.32703	0.4
175.11203	1.9
176.25706	0.4
184.07353	21.0
185.04263	0.7
185.07669	3.3
193.12233	2.2
194.12630	1.0
211.13365	1.9
221.27406	0.4
243.08394	2.6
249.11092	0.8
251.12543	1.0
253.14360	0.6
267.15924	3.1
268.16339	1.7
269.17578	1.6
270.17853	1.7
283.15485	0.7
285.17041	1.2
287.18811	0.6
376.74701	0.4
422.26346	1.0
439.27045	0.8
440.27261	2.0
448.28033	1.4
453.45166	0.4
454.29184	0.6
461.29132	1.5
462.29266	4.5
465.29080	0.6
466.29102	1.5
467.19058	5.9
469.20432	7.0
498.31305	1.3
548.32458	0.6
695.32452	100.0
696.32745	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	695.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	7.0
57.03435	2.7
69.03431	8.0
71.50568	4.0
73.02924	4.7
82.99849	3.2
84.96048	5.3
84.96569	2.4
85.02906	12.3
94.99867	2.6
97.02903	7.5
97.96751	2.4
98.97588	24.2
101.00883	22.0
110.97611	6.7
112.65047	2.8
113.00903	3.7
116.98616	8.6
119.01923	29.4
127.02423	4.4
127.03940	3.7
128.98593	4.9
130.08801	2.6
131.01915	11.0
133.03476	5.9
134.99684	3.7
139.02426	3.5
143.00150	2.9
143.01906	24.7
145.03502	16.3
145.04936	2.8
147.04430	7.2
151.03885	2.9
153.01820	10.8
155.01909	23.4
157.03476	10.9
158.99651	14.7
161.02960	27.3
167.01886	8.2
169.03499	7.6
170.99638	8.4
171.05023	4.2
173.02969	33.4
177.00726	7.3
179.01904	7.0
181.03470	5.0
185.02954	46.8
187.04521	7.5
189.00624	4.7
191.03896	8.6
197.02948	14.9
199.04507	5.9
201.00729	6.4
203.03986	13.5
205.03543	3.6
215.04024	11.9
219.01772	12.4
219.05107	3.9
221.05090	7.8
223.04512	28.4
225.06168	4.4
227.03937	14.2
229.03587	4.8
233.02895	3.1
235.04568	22.0
237.02788	11.3
237.06152	9.6
241.05591	7.0
243.01796	3.0
245.05099	100.0
247.04585	21.4
249.02919	2.7
249.06177	6.5
251.04039	22.9
257.05203	6.0
259.04642	5.1
261.02859	6.8
263.04013	28.6
263.06256	10.9
265.05600	24.1
267.03580	4.2
269.05090	8.7
272.03845	2.8
272.06534	9.6
272.56744	3.1
273.08176	4.8
275.03726	20.5
275.06296	7.8
277.05667	8.3
279.03867	7.7
281.04999	41.0
282.05405	3.5
283.06650	4.9
287.04074	2.9
293.05014	59.9
303.01318	4.6
305.04614	5.9
305.07553	6.9
311.06113	45.7
323.06143	9.6
335.06323	10.7
353.06821	47.2
353.59140	4.7
354.07242	5.0
365.09329	13.1
371.08237	53.4
372.08633	2.8
377.07675	3.7
379.58539	2.7
389.09308	67.8
413.09311	87.8
414.09506	4.9
415.08606	4.0
431.10324	8.5
443.10376	18.5
444.06754	5.0
473.11389	24.9
515.12408	37.6
533.13409	20.3
560.45544	3.0
575.14349	3.2
638.55756	3.2
695.19104	15.6
703.41595	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	694.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.0
53.03947	9.4
55.01871	13.6
55.05510	36.5
55.43307	1.8
57.03427	9.7
57.07069	7.1
59.52914	1.8
65.03941	6.1
65.28744	1.7
67.05505	100.0
69.03426	5.8
69.07071	33.7
70.17901	7.4
71.05008	11.0
71.08631	10.7
73.74872	1.6
79.05496	68.8
81.03403	19.7
81.07056	96.5
82.07388	2.1
83.04977	21.3
83.08633	18.4
85.02919	2.2
85.06540	9.9
91.05482	76.9
93.07043	71.2
95.04958	19.5
95.08607	53.2
97.02883	2.4
97.06541	17.7
97.10172	6.7
99.04433	2.4
99.08103	6.3
105.07033	61.8
107.04953	13.3
107.08591	48.2
109.02938	2.2
109.06499	13.8
109.10155	48.6
111.04484	3.1
111.08069	7.4
113.09628	2.5
115.05374	2.4
117.07005	18.4
119.08567	29.8
121.06522	6.0
121.10152	20.7
123.08041	9.7
123.11679	9.1
125.09664	7.6
127.07542	2.4
128.06216	3.3
129.07011	7.5
131.08586	24.7
133.10136	56.8
135.08043	10.0
135.11687	17.9
137.09602	10.4
141.06989	3.2
142.07692	2.0
143.08565	6.4
145.10127	15.6
147.08054	4.3
147.11707	13.7
149.09641	16.1
149.13252	10.5
151.11183	32.5
157.10132	4.4
159.11711	9.6
161.09616	4.1
161.13281	7.2
163.11163	14.8
163.14851	2.7
165.09149	4.5
165.12798	4.5
167.14439	2.1
169.10130	3.2
169.12253	6.5
171.11699	5.1
173.09599	2.9
173.13249	6.5
175.11174	2.5
175.14896	2.3
177.12767	5.4
179.10641	3.3
179.14310	3.4
181.12161	2.0
183.11699	2.2
184.07376	3.6
187.11137	2.7
187.14859	2.3
191.14291	3.0
193.12302	3.2
195.13820	7.7
207.14087	2.0
211.13205	2.4
215.06833	1.8
215.12856	2.8
229.19565	2.8
239.17964	2.8
245.18950	2.3
247.20639	5.8
251.16466	2.2
253.14377	52.8
255.15884	6.2
257.18961	5.9
259.20627	2.5
267.16055	3.9
269.17468	14.8
271.15497	2.8
273.18536	5.2
275.20041	42.6
277.21652	6.6
291.19513	4.6
293.21103	18.2
331.22458	2.9
347.22299	2.2
349.23730	26.1
351.25388	3.9
365.23373	5.3
367.24792	15.3
447.27405	6.6
451.27155	2.5
465.28668	4.0
503.05499	2.2
522.38776	5.1
543.36841	5.2
547.35968	7.7
559.36224	19.5
561.37860	26.5
641.43115	4.3
694.44763	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	694.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09067	1.5
53.03941	6.3
55.01871	9.0
55.05513	31.6
57.03432	12.2
57.07063	2.8
60.08163	6.5
65.03914	5.8
67.05505	92.7
69.03434	5.8
69.07069	40.8
69.24785	13.7
69.25198	3.4
71.04990	8.3
71.07367	3.4
78.11269	1.7
79.05495	72.7
81.03419	15.1
81.07062	100.0
83.04993	13.1
83.08625	19.1
83.50067	2.1
85.02866	2.1
85.06541	5.6
86.09705	24.4
91.05484	67.0
93.07047	70.0
93.11597	1.8
95.04980	16.0
95.08609	46.9
96.26862	1.8
97.06532	19.1
97.10153	10.4
98.98499	2.3
99.08064	3.8
103.05418	1.9
104.10804	2.0
105.04537	3.2
105.07033	49.1
105.07695	3.7
106.11755	2.0
107.04979	8.7
107.08598	46.8
108.95534	1.7
109.06509	9.5
109.10172	17.1
111.08086	6.5
115.05463	2.4
117.07014	19.1
119.08581	35.4
121.06506	8.0
121.10145	25.7
121.11026	2.4
123.08080	6.0
123.11691	5.1
125.00028	15.1
125.09644	5.3
128.06238	3.2
129.06989	10.3
131.08572	28.5
133.06496	3.0
133.10139	32.5
135.08046	8.7
135.11699	24.4
137.09627	5.6
139.11185	1.8
141.07004	4.9
143.08551	6.4
145.10133	22.6
147.08118	3.8
147.11678	13.7
149.09641	19.4
149.13264	18.7
151.11185	2.2
155.08554	4.9
157.10107	11.2
159.11705	19.0
161.09613	3.1
161.13277	6.0
163.11165	13.3
169.10158	4.8
171.11694	6.8
173.13254	7.0
175.11267	2.4
177.12747	7.7
179.14302	6.7
181.12196	3.4
183.11652	3.8
184.07350	87.4
185.07484	1.8
185.13225	3.2
187.11275	3.0
187.14877	2.1
189.12712	2.4
193.12141	2.4
195.12097	1.7
195.13792	9.5
197.13286	4.8
211.13335	2.7
229.19551	2.1
231.17365	2.3
239.18037	5.5
247.20653	4.5
251.16426	2.1
255.15962	18.2
257.19046	11.9
267.15918	6.5
269.17490	36.3
275.20093	39.9
277.21423	2.2
285.17325	1.7
293.21109	4.0
317.68616	2.2
349.23755	29.4
367.24994	3.4
433.31516	2.1
435.27209	3.2
449.29053	24.4
451.31833	2.6
463.30655	23.4
464.31146	2.1
529.35010	4.3
543.36664	13.6
547.36377	2.2
561.37811	3.2
623.43658	2.5
694.46960	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	694.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.0
51.94370	2.1
53.03953	10.9
55.01864	10.5
55.05270	3.3
55.05514	48.4
57.03438	17.4
57.07074	3.8
65.03942	4.7
67.05508	92.8
68.05798	3.8
69.03419	9.5
69.07072	53.8
71.05010	14.3
71.08626	10.0
79.05497	76.8
81.03412	16.3
81.07059	94.8
83.04971	13.2
83.08617	22.2
85.02869	2.1
85.06546	5.3
86.09693	3.3
91.05483	75.0
93.07050	75.3
95.04986	22.6
95.08612	50.1
97.02889	7.9
97.06541	19.1
97.10171	15.4
98.20799	5.3
99.08103	15.0
103.05433	2.7
105.04488	4.6
105.06405	3.6
105.07040	50.8
107.04974	14.6
107.08595	41.2
109.06528	27.7
109.10162	19.5
111.08060	12.7
113.05999	5.5
115.05437	4.5
115.07595	2.2
117.07038	23.3
119.08577	38.1
121.06469	7.6
121.10150	24.8
123.08087	17.2
123.11684	2.8
125.09628	13.1
128.06177	3.8
129.06973	12.2
131.08569	26.2
133.06464	3.2
133.10141	27.0
134.10481	2.5
135.08052	7.9
135.11688	10.4
137.09590	5.5
141.06918	2.1
142.07761	3.1
143.08549	10.5
145.10152	20.8
147.08109	5.9
147.11685	14.5
149.09621	8.5
149.13338	11.6
151.11142	11.1
157.10120	7.2
159.11691	16.6
161.09572	6.3
161.13248	10.6
163.11189	12.8
165.12776	3.5
171.11693	9.3
173.13274	5.7
175.14850	4.1
177.12770	8.2
179.14345	4.8
184.07320	9.5
185.13269	7.9
187.11342	3.2
187.14900	3.9
189.11172	6.2
189.12749	5.4
193.12222	2.5
195.13800	4.9
197.13339	3.4
197.83823	2.4
203.14244	4.8
207.13742	4.3
219.17401	5.7
223.13329	23.6
227.12790	6.1
233.15511	2.6
239.17865	3.5
249.15030	2.3
253.17914	3.7
257.18970	5.2
259.20587	3.9
269.17435	12.2
273.18466	15.4
275.20023	20.2
277.21570	8.9
281.17560	3.4
291.19553	100.0
293.21106	13.4
299.18546	2.3
349.23654	5.9
351.25269	12.3
365.23181	23.0
367.25049	3.3
559.36310	56.3
560.36517	3.7
639.53033	2.7
641.44403	12.3
664.73230	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	694.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
55.01863	8.9
55.05514	36.0
56.04137	2.5
57.03431	10.6
57.07056	2.4
65.03943	6.3
67.05507	88.0
69.03422	4.5
69.06734	3.5
69.07071	45.4
69.32659	19.9
71.01363	2.3
71.04984	4.4
77.03947	2.3
79.05496	71.3
81.03432	11.4
81.07061	100.0
83.04967	14.2
83.08617	18.7
85.06542	6.6
86.09688	6.8
91.05484	68.0
93.06484	4.1
93.07051	79.5
95.04971	13.2
95.08607	44.0
97.06538	17.1
97.10168	10.0
98.20734	3.9
99.08057	2.5
103.05472	3.5
105.04550	2.4
105.07033	50.3
107.04939	11.4
107.08601	44.7
109.06519	8.8
109.10184	18.7
111.08097	6.2
113.05973	3.0
113.09663	4.6
115.05464	3.9
117.07021	22.1
119.07800	3.6
119.08591	39.4
121.06489	4.7
121.10158	20.3
123.08076	7.3
123.11700	7.9
124.99980	5.5
125.09626	8.9
128.06181	3.6
129.07048	10.3
130.07787	2.3
131.08575	33.0
133.06451	2.8
133.10133	29.6
135.08057	5.0
135.11699	21.1
137.09581	6.3
139.11189	2.4
141.06984	5.6
142.07790	4.1
143.08571	11.6
145.10135	20.4
147.11667	15.9
149.09621	16.2
149.13260	16.3
151.11214	5.8
155.08560	4.4
157.10144	8.6
159.11708	19.3
159.77788	2.2
161.13216	7.3
163.11253	11.2
165.12859	2.2
169.10179	5.3
171.11700	7.4
173.09578	2.4
173.13226	10.9
175.14809	2.6
177.12775	6.1
179.14279	7.2
181.10078	3.0
183.11665	5.5
183.41348	2.6
184.07359	29.2
185.13287	4.4
187.14861	2.9
189.11188	3.9
195.11951	2.2
195.13760	10.7
197.13222	3.4
227.12737	6.3
229.19528	3.7
239.18057	2.9
247.20552	3.2
251.16382	3.2
255.15898	12.8
257.18948	13.6
267.15994	4.8
269.17471	27.7
275.20062	38.4
307.14206	2.5
349.23737	27.9
365.23184	2.8
435.27179	3.2
449.28973	15.9
463.30817	20.2
525.36432	2.5
543.36737	18.2
561.37726	3.6
565.60693	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	694.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.01874	1.7
55.05519	7.6
57.03439	15.9
61.11006	0.8
63.54387	0.8
65.11365	0.7
65.73494	0.7
67.05509	33.8
69.03452	1.0
69.07074	9.2
70.17767	3.6
71.01358	2.4
71.04990	3.5
79.05499	31.4
81.03425	46.2
81.07064	17.2
83.04999	7.8
83.08624	12.8
85.02892	2.3
85.06533	2.6
86.09702	4.4
91.05489	19.4
93.07051	33.8
95.04969	17.1
95.08624	6.9
95.95624	0.8
97.02874	1.5
97.06543	7.9
97.10165	7.9
98.21123	2.1
99.08089	2.1
103.05466	0.9
105.07043	9.4
107.04972	3.5
107.08598	21.3
109.06547	2.1
109.10168	5.9
111.04421	1.0
111.08105	5.4
117.07017	3.8
119.08593	9.7
121.06503	1.9
121.10156	7.4
123.04449	1.0
125.00031	2.5
125.09632	2.6
129.07001	5.3
131.08582	5.4
133.06453	1.5
133.10133	4.8
135.11700	34.0
137.09625	2.6
142.07851	1.4
145.10095	6.1
147.08072	1.8
147.11684	6.4
149.09636	3.1
151.11182	1.0
157.10132	5.5
163.11208	6.2
165.12863	1.2
175.11163	5.1
181.12263	6.9
184.07321	14.9
185.13344	1.0
193.12268	13.9
211.13322	1.8
249.14993	2.1
255.15930	75.5
256.16312	1.4
267.15930	44.6
268.16254	1.2
285.16949	1.3
320.58020	0.9
403.24780	1.5
421.25925	8.1
434.63412	1.0
439.26947	1.1
447.27448	100.0
448.27905	2.9
461.29337	1.6
465.28595	5.1
467.90475	1.0
479.29819	2.3
489.28561	1.8
497.30740	2.6
534.01086	0.8
555.29333	1.4
695.32056	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	8.8
55.01867	10.3
55.05278	3.0
55.05516	45.3
55.68392	2.8
57.03200	2.4
57.03444	31.6
57.07065	4.7
59.04990	2.5
65.03931	6.6
65.59075	2.5
67.05510	100.0
68.05843	2.6
69.03423	5.8
69.06731	3.9
69.07072	49.7
71.01032	4.3
71.01374	4.8
71.04710	2.1
71.05002	20.2
71.08652	3.4
74.50950	2.3
77.03918	2.8
79.05499	89.7
81.03420	18.5
81.07061	93.3
82.07382	3.1
83.04996	18.1
83.08627	24.8
85.06528	8.8
86.09697	9.3
91.05485	81.9
92.05802	4.2
93.07049	81.5
95.04964	23.0
95.08615	58.7
97.02863	4.5
97.06535	26.2
97.10172	15.7
99.08075	8.9
103.05442	4.9
104.06186	2.4
105.04490	3.0
105.07040	67.0
107.04969	12.1
107.08595	55.7
109.06525	28.1
109.10164	28.3
111.04411	3.2
111.08097	13.6
115.05450	4.6
117.07030	28.7
119.08595	43.6
121.06474	6.8
121.10154	36.6
123.08053	14.9
123.11703	6.4
125.00031	3.7
125.09639	14.6
128.06232	4.5
129.07024	19.7
131.08583	34.2
133.06470	5.6
133.10152	32.6
135.08081	8.5
135.11713	13.5
137.09595	7.7
139.11172	8.1
141.06998	5.1
143.08553	12.6
145.10130	29.3
147.08054	3.6
147.11694	19.8
149.09671	12.9
149.13220	7.8
151.11139	3.7
153.51205	2.9
155.08617	4.6
157.10114	9.9
159.11694	20.5
161.09578	2.9
161.13243	14.4
163.11157	8.0
165.12755	3.8
167.10670	2.6
169.10127	4.9
171.11690	11.5
173.11806	3.2
173.13217	10.8
175.11185	5.1
175.14876	4.2
177.12724	3.8
179.14223	4.6
182.81644	2.4
183.11670	4.0
184.07329	31.9
185.13347	12.8
187.11034	3.0
187.14842	4.3
189.11235	5.2
189.12802	7.2
195.13876	4.5
197.13187	5.9
201.16377	3.0
203.12691	5.7
203.14400	5.8
207.13733	2.9
213.14713	3.0
219.17299	3.5
223.13278	9.8
227.12697	2.5
229.14384	4.2
233.15425	3.4
241.14195	3.2
245.19090	2.7
247.20595	4.1
257.18979	8.3
267.15842	2.5
269.17447	7.5
273.18451	7.1
275.20059	44.4
277.21719	5.7
281.17236	3.1
291.19531	25.2
293.21106	14.9
299.18393	3.5
314.28879	2.3
349.23666	9.0
351.25150	4.1
367.24829	8.4
367.56537	3.1
407.29102	2.6
455.36246	2.8
475.86926	2.6
522.38629	9.1
559.35864	15.2
561.37158	3.8
641.43848	3.2
694.44086	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	694.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.05518	13.4
56.02160	1.2
57.03434	4.2
57.07075	3.9
61.02929	28.4
62.38888	1.5
65.03939	2.4
67.05510	60.4
69.03417	3.1
69.07058	9.9
70.21700	2.4
71.04991	3.2
73.02924	8.5
79.05070	2.7
79.05499	36.2
81.03436	2.0
81.07063	67.5
83.08614	6.7
85.02440	2.1
85.02914	33.8
85.06545	2.6
87.73207	1.3
91.03963	26.2
91.05482	19.9
93.07054	51.3
95.04995	2.6
95.08613	56.8
97.02889	13.4
97.06527	2.5
97.10167	5.2
99.04465	2.0
99.08086	1.9
105.07034	18.8
107.08607	32.5
109.02927	1.5
109.06525	1.3
109.10165	27.6
111.08069	1.9
113.09641	2.4
115.03936	1.8
117.07020	5.2
119.08592	15.1
121.10153	32.6
123.11703	16.5
124.45459	1.2
127.03909	10.0
129.07028	1.3
131.08578	19.1
133.10124	11.6
135.11699	31.7
137.09596	2.3
137.13248	5.3
145.04977	15.1
145.10127	12.4
147.11673	11.4
149.13272	21.0
151.11227	1.5
159.11697	15.9
161.13216	10.0
162.73175	1.7
163.06010	18.2
163.14833	15.0
165.12741	2.9
173.13252	17.9
175.14819	4.1
177.16388	5.6
179.14372	2.6
187.14828	7.9
191.14462	2.4
201.16376	3.9
205.15836	1.9
215.17966	1.6
233.22716	3.2
243.21085	31.3
243.23381	2.2
261.22153	100.0
262.22580	2.9
279.23346	2.3
335.25824	14.5
349.95410	1.4
353.26880	48.4
354.27206	2.7
471.59509	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54593	1.0
53.03949	3.4
55.01871	3.0
55.05513	14.6
57.03439	8.5
59.04996	2.4
60.08163	5.7
61.02916	4.4
65.03928	3.7
67.05507	79.0
69.03426	4.0
69.07060	8.5
69.15126	2.7
69.15541	9.2
71.04993	22.0
71.07361	3.3
71.47369	1.1
79.05495	28.4
81.03421	34.5
81.07061	32.2
83.04990	12.8
83.08620	17.2
85.02914	18.4
85.06073	1.1
85.06540	3.0
86.09218	2.2
86.09711	27.9
91.05484	32.8
92.05856	1.2
93.07049	25.8
95.04978	19.1
95.08619	15.9
97.02895	3.7
97.06519	6.0
97.10188	2.5
98.21330	5.3
98.98493	2.7
99.08070	2.2
104.10739	2.9
105.07033	18.1
107.04951	4.7
107.08603	14.2
109.06509	5.4
109.10161	46.6
111.04469	2.4
111.08085	7.4
111.18198	1.3
113.06008	1.6
117.07005	3.4
119.08590	19.5
121.06473	1.4
121.10169	9.2
123.08058	2.2
123.11726	2.1
125.00009	20.8
125.09650	1.6
129.07005	8.3
131.08574	10.5
133.06544	1.3
133.10139	10.7
135.11703	13.0
137.09648	8.2
142.07782	2.5
143.08563	1.3
145.10129	4.5
147.08037	2.2
147.11687	12.1
149.09633	3.9
151.11116	1.5
155.10670	4.3
157.10118	9.8
159.11583	1.0
163.11154	4.5
165.12755	1.9
169.12254	2.6
173.11732	5.0
175.11208	9.9
181.12248	3.1
184.07349	100.0
185.07674	1.5
193.12270	23.3
211.13303	29.5
211.15277	1.8
229.14400	3.7
243.15775	1.6
253.14325	1.5
255.15868	9.1
267.15906	20.0
269.17441	4.2
285.16946	20.6
287.18497	17.0
377.74487	1.2
403.24603	2.1
421.20200	1.8
421.25858	25.8
422.26486	1.5
429.26303	1.8
435.27533	1.6
439.26904	66.4
440.26978	1.6
447.27441	25.0
453.28540	12.4
461.28949	9.8
465.28497	44.1
479.29855	4.4
497.31104	46.6
498.31406	1.7
629.00623	1.4
644.35718	8.1
695.32062	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	694.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.0
57.03422	1.2
65.03944	11.5
67.05508	14.3
68.99789	1.7
69.03435	9.8
69.85810	0.8
69.86217	2.3
83.04984	56.7
85.02906	19.4
87.04475	2.1
91.05483	6.8
93.03411	35.2
95.04971	5.3
97.02888	0.6
99.00813	4.1
107.04977	1.8
111.04449	91.9
115.03935	2.1
117.01852	1.7
119.04955	11.3
120.05750	0.7
121.02007	0.9
121.02876	18.5
129.05486	47.6
130.05818	0.5
139.03911	65.4
140.04295	0.8
147.04407	16.3
147.06406	0.9
157.04970	67.7
172.58775	0.7
175.06032	100.0
176.06392	1.2
177.06953	0.6
195.08174	0.7
196.44594	0.6
209.92630	0.6
212.08434	0.6
213.09079	7.2
219.07994	0.7
237.09149	1.6
245.77238	0.6
247.07608	1.2
265.08517	1.1
273.06085	30.3
274.06265	0.9
293.08105	2.1
311.08926	1.0
447.11398	8.0
467.13013	1.6
485.14218	3.0
701.57477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
55.05510	0.6
56.05025	0.5
57.03436	0.5
58.06576	1.5
59.07378	0.7
60.08167	5.8
61.02930	0.2
67.05505	1.2
69.03439	0.4
69.05841	0.1
69.07072	0.3
69.43745	0.2
70.06598	0.2
71.05004	0.2
71.07374	2.7
79.05499	1.3
80.97466	0.2
81.03426	1.6
81.07056	1.2
81.45607	0.1
83.04988	0.6
83.08633	0.6
85.02916	0.6
85.06559	0.2
86.09712	27.4
87.10052	0.2
91.05488	1.4
93.07043	1.2
95.04986	0.7
95.08618	0.6
95.33395	0.1
97.02914	0.2
97.06532	0.3
98.98467	2.4
104.10752	2.5
105.07034	1.0
107.04980	0.2
107.08591	0.8
109.06542	0.2
109.10160	0.4
111.08110	0.3
119.08589	0.9
121.06569	0.1
121.10173	1.3
123.11767	0.2
125.00014	18.7
129.07056	0.2
131.08578	0.8
133.06595	0.2
133.09215	0.1
133.10155	0.5
135.08083	0.2
143.01120	0.2
145.10146	0.2
147.11674	0.3
149.09663	0.6
153.01811	0.2
157.10146	0.4
167.10725	0.3
172.37041	0.1
175.11215	0.3
184.07353	100.0
185.07755	0.8
185.11868	0.2
193.12259	1.2
209.11787	0.2
211.13249	1.4
211.60222	0.1
213.11118	0.2
222.08949	0.9
229.14490	0.2
240.09999	0.2
253.14479	0.2
267.15866	0.8
271.15530	0.2
285.16983	1.4
285.19391	0.1
287.14944	1.1
287.17905	0.2
395.81427	0.2
453.28613	0.2
461.28818	0.2
479.26242	0.3
480.23123	0.2
497.27390	1.6
522.25116	0.1
650.20099	0.2
676.34418	0.3
694.35657	5.6
695.35083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.4564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	14.8
55.01876	9.1
55.05517	48.2
57.03442	12.5
57.07077	13.1
58.87578	1.5
65.03955	6.8
67.05511	70.0
69.03431	29.5
69.07075	49.3
71.01344	2.1
71.04980	8.9
71.08642	5.0
71.51131	3.5
72.90568	1.7
77.76362	1.6
79.05499	47.0
81.03424	100.0
81.07063	76.4
81.07526	3.5
82.03771	1.9
83.04989	22.7
83.08622	36.1
85.02898	13.9
85.06574	6.1
85.10206	2.8
86.09756	2.2
87.04492	2.5
91.05487	43.9
91.06019	2.7
93.07045	36.5
95.04980	27.1
95.08614	54.3
97.02897	24.8
97.06524	9.9
97.10172	19.5
99.04498	7.6
99.08093	2.6
105.07034	32.6
105.07674	2.5
107.04942	9.5
107.08611	26.1
109.02887	19.2
109.06515	8.5
109.10159	26.4
111.04446	11.9
111.08098	8.6
111.11764	5.3
113.09716	2.1
115.05485	3.8
117.07005	9.6
119.05005	2.1
119.08591	28.5
120.08970	1.9
121.06575	4.1
121.10157	24.0
123.04449	3.2
123.08116	3.3
123.11701	8.4
125.00021	3.0
125.09683	4.7
127.03960	13.8
129.05591	2.9
129.07043	10.5
131.08586	14.2
133.06520	4.2
133.10133	17.7
135.08069	2.8
135.11708	13.5
137.05978	1.9
137.09656	4.5
143.08612	4.0
145.06517	2.1
145.10100	10.3
147.08124	6.1
147.11688	22.0
149.09691	7.8
149.13324	7.2
151.11276	3.6
153.12762	3.8
155.08627	2.9
157.10115	13.7
159.11790	5.5
161.09692	2.7
161.13329	2.9
163.11264	6.4
164.11302	1.8
165.12819	5.8
171.11772	3.6
173.04546	3.0
173.09621	2.4
173.13210	2.4
175.11211	10.8
178.14742	1.7
181.12340	4.0
183.11714	3.0
184.07317	11.2
185.13339	2.1
187.14891	2.5
191.10715	4.8
193.12270	35.5
193.13870	2.8
195.13802	2.2
209.11871	3.5
211.13303	58.1
216.76096	1.9
225.16505	2.2
227.12918	5.4
229.14546	4.8
249.14946	1.8
263.23816	3.0
265.25427	6.4
267.15884	16.6
273.14838	2.2
285.17120	5.1
291.19644	3.4
323.25888	3.0
330.42380	2.3
335.73834	1.9
337.16663	4.8
339.29019	21.0
345.28461	2.9
349.23914	2.4
355.17572	11.9
355.26709	3.1
373.27551	6.4
391.28577	3.9
393.19296	1.9
411.20267	9.1
447.31158	5.5
465.32297	2.8
475.38373	2.5
521.38196	4.6
531.40601	7.1
549.41516	10.9
639.43127	2.2
657.43536	3.0
675.44788	7.3
693.45850	80.8
694.46429	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01875	5.2
55.05511	28.9
57.03442	6.2
57.07077	10.7
61.02925	2.1
62.96967	1.1
67.05507	23.3
69.03436	3.2
69.07067	25.3
70.83707	1.3
71.04982	4.2
71.08623	7.3
71.51753	1.2
73.02920	2.0
79.05491	17.4
81.03423	20.0
81.07057	23.8
83.04990	5.2
83.08622	26.6
85.02911	11.7
85.06522	1.5
85.10188	2.3
86.09692	2.1
91.03970	2.1
91.05486	20.7
92.05849	1.4
93.07043	11.9
95.04969	9.4
95.08608	15.1
97.02889	3.6
97.06537	4.1
97.10166	17.1
98.98472	5.1
99.08086	1.4
105.07030	15.7
107.04959	3.8
107.08586	8.7
109.06544	2.6
109.10165	6.3
111.04485	1.1
111.08073	2.7
111.11729	4.0
113.06026	2.4
117.07015	1.5
118.28868	1.2
119.08581	11.2
121.06506	1.5
121.10130	6.8
123.08072	1.3
123.11698	1.7
124.27985	1.2
125.00093	1.4
125.09664	1.2
127.07580	1.3
129.07036	5.8
131.08542	7.7
133.10167	6.3
135.11671	3.3
137.09663	1.7
142.07883	1.2
145.10129	2.8
147.08092	1.5
147.11696	5.4
149.09692	2.0
149.13269	1.6
152.05652	1.2
157.10153	5.4
159.11691	1.6
161.13158	1.3
163.11217	1.8
165.12662	1.5
168.05492	1.2
173.11768	1.6
175.11240	5.2
177.05560	1.1
184.07379	5.2
193.12239	13.4
199.08936	1.0
209.11781	2.5
211.13326	12.5
227.12778	2.1
237.22218	5.2
249.14775	1.4
267.15854	5.9
269.02261	1.1
292.19791	1.3
293.21191	2.7
294.21454	1.8
311.25742	7.7
413.17575	1.6
419.12704	1.2
440.16788	1.4
485.35675	1.8
503.37424	11.9
521.31384	3.4
521.38379	100.0
522.38672	5.0
684.23169	1.3
693.41858	47.5
694.42059	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	692.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89600	1.4
53.03942	6.7
55.01876	8.0
55.05518	29.5
57.03452	8.8
57.07081	2.9
59.05027	1.9
60.08152	3.2
64.39536	1.5
65.03929	4.5
67.05507	56.1
68.05847	1.8
69.03442	9.3
69.07075	40.5
69.16846	5.1
69.17266	10.2
71.04996	7.8
73.98450	1.6
76.17398	1.8
79.05500	50.6
79.05960	2.5
80.05767	1.9
81.03420	12.7
81.06591	3.2
81.07063	59.0
82.00064	1.6
83.04980	10.0
83.08622	15.4
85.02930	3.0
85.06522	3.4
86.09709	17.3
91.05485	41.6
93.07051	49.2
95.01345	2.3
95.04972	15.3
95.08617	27.6
96.05312	1.5
97.02905	10.2
97.06550	10.0
97.10178	14.0
98.98464	5.6
99.08113	2.9
103.05466	1.5
105.04522	1.6
105.07042	26.9
107.04966	13.0
107.08600	27.1
108.08926	1.6
109.02917	2.2
109.06523	6.6
109.10158	15.1
111.08069	5.0
115.05450	2.9
117.07037	14.7
119.08601	23.6
121.06504	5.6
121.10130	14.5
123.04431	2.0
123.08077	3.7
123.11689	3.7
125.00002	9.5
125.09613	10.4
129.06984	6.1
130.07724	2.2
131.08563	20.3
133.06453	2.9
133.10141	20.0
135.08067	5.8
135.11682	13.2
137.09702	3.7
141.06960	1.7
143.08568	6.3
145.10136	11.9
147.08051	6.9
147.11678	4.8
149.09610	9.6
149.13234	10.1
149.68652	1.5
151.11214	2.4
155.08600	2.4
155.48622	1.7
157.10135	5.2
159.11722	8.7
161.09653	2.8
161.13240	2.8
162.10468	1.8
163.11205	6.3
165.12828	2.5
169.10060	2.8
171.10342	2.1
171.11681	2.7
173.13231	1.5
175.11194	3.1
177.12790	3.9
183.11736	2.3
184.07344	57.5
189.11244	4.0
189.12788	2.5
193.12178	1.7
195.13771	7.1
195.15372	1.6
205.12285	4.4
209.11624	2.9
213.14729	2.3
223.13246	17.1
227.12752	6.0
229.19308	1.9
255.15923	7.2
257.19077	2.6
263.19870	1.8
267.15900	2.7
269.17511	18.9
273.18417	13.1
275.20065	14.3
291.19565	100.0
292.19870	2.3
349.23627	9.4
365.23236	29.2
520.36902	3.9
541.35175	1.8
545.34766	9.9
559.36328	27.7
599.40143	1.7
639.42426	3.3
667.87695	1.7
692.41382	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	692.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.4
55.01873	10.1
55.05514	25.0
57.03439	11.2
57.07063	3.3
60.08160	3.1
65.03938	5.4
67.05508	87.9
68.05830	3.6
69.03421	9.2
69.07072	32.6
69.35101	14.9
71.01340	1.8
71.04996	4.7
71.07383	3.2
75.99389	1.6
79.05496	64.3
80.05819	4.3
81.03423	20.8
81.07061	100.0
82.03743	1.8
82.07395	5.7
83.04982	21.8
83.08623	13.1
85.02926	2.1
85.06538	8.9
86.09717	16.6
91.05482	74.6
92.05816	2.7
93.07046	63.8
94.07373	1.9
95.04974	16.3
95.08613	39.6
96.08932	2.8
97.02890	4.7
97.06547	13.8
97.10179	7.3
98.21550	3.4
98.98482	2.1
99.04451	3.7
99.08094	3.2
103.05449	3.6
104.10729	1.7
105.07039	59.6
106.07357	2.9
107.04951	14.2
107.08599	44.9
108.08915	2.2
109.02850	1.8
109.06516	10.9
109.10168	45.0
109.10923	2.3
111.04440	4.6
111.08100	6.1
113.06007	1.9
115.05484	3.5
117.07018	18.0
118.07335	1.9
119.08595	27.0
121.06502	9.5
121.10165	16.5
123.08072	6.3
123.11703	10.0
125.00002	7.6
125.09635	2.9
127.03979	2.3
127.07528	1.8
128.06255	3.6
129.05492	2.2
129.07013	6.3
130.07500	1.8
131.08575	24.3
133.06494	4.7
133.09120	3.3
133.10139	63.9
135.08063	8.6
135.11707	14.8
137.06012	1.8
137.09653	5.3
141.07127	2.6
143.08557	7.0
145.10127	17.0
147.08051	3.8
147.11697	10.8
148.12093	2.8
149.09622	13.1
149.13223	10.6
151.11180	27.5
155.08568	3.8
157.10126	6.8
159.08163	2.4
159.11713	13.6
161.09662	6.2
161.13280	4.6
163.11192	10.8
165.12808	4.0
169.10120	3.3
169.12231	4.9
171.11647	4.2
173.09644	2.3
173.13290	5.6
175.14774	2.8
177.09177	1.6
177.12770	4.4
179.14314	5.2
183.11774	3.7
184.07347	61.4
187.14851	2.7
191.10614	2.0
195.13890	4.8
203.30829	1.9
215.12790	4.5
227.12843	2.9
239.17905	2.1
245.19084	2.6
253.14381	73.6
255.15732	2.3
257.18924	5.6
259.20731	2.0
263.19833	1.8
267.15918	4.0
269.17453	11.7
273.18484	15.3
275.20117	15.9
277.21875	2.0
291.19589	16.9
293.20956	2.5
335.25809	2.8
336.26468	2.1
347.22107	4.3
349.23743	12.7
365.23221	13.1
367.24579	2.4
447.27267	5.5
451.26785	2.4
465.28516	6.0
520.37177	5.4
530.39209	9.2
541.35577	2.2
545.34589	7.5
559.36261	25.2
560.36212	2.0
639.42554	3.9
657.42944	2.5
674.43677	3.8
692.44550	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	692.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93175	0.2
53.03944	0.4
55.01881	0.2
55.05510	1.3
56.05027	0.6
57.03443	0.7
57.07078	0.5
58.06632	0.6
59.07387	0.2
60.08170	6.4
65.03960	0.3
67.05512	3.3
68.05848	0.4
69.03429	0.8
69.07079	1.0
70.06561	0.2
70.90221	0.5
71.05012	0.5
71.07375	3.6
73.18031	0.2
76.68556	0.2
79.05499	2.1
80.05844	0.3
81.03419	2.0
81.03830	0.3
81.07056	3.7
82.03780	0.3
82.07369	0.5
83.04982	1.2
83.08607	0.6
84.75287	0.2
86.09712	30.7
91.05489	1.9
92.05840	0.4
93.07050	2.0
94.07389	0.4
95.04955	0.5
95.08622	1.7
96.08953	0.2
97.02887	0.6
97.06503	0.5
97.10140	0.2
98.98466	3.5
99.04398	0.3
104.10742	2.0
105.07048	1.5
106.07363	0.3
107.08614	1.3
108.08936	0.3
109.06539	0.4
109.10181	1.1
117.07029	0.7
119.08579	0.8
121.06487	0.2
121.10143	0.9
123.11684	0.4
125.00011	20.6
127.03888	0.3
129.05495	0.2
129.07002	0.3
131.08562	0.7
133.10149	0.7
135.11674	0.6
136.12091	0.3
139.11217	0.2
143.01001	0.2
145.10164	0.5
147.11693	0.6
149.13287	0.5
150.53983	0.2
152.05670	0.2
159.11700	0.6
161.13268	0.2
163.11243	0.3
184.07352	100.0
185.07654	0.6
227.12691	0.3
267.15942	0.3
289.34195	0.2
335.25751	0.3
336.25970	0.4
475.99689	0.2
520.36890	0.6
529.38110	0.2
530.38983	0.9
644.40192	0.2
674.43170	0.3
692.44965	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	692.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01883	10.9
55.05515	28.7
57.03428	6.8
61.02923	2.1
63.50763	1.9
65.03938	4.9
67.05509	61.0
68.05860	2.3
69.03429	11.1
69.07075	44.7
69.36053	8.3
69.36470	3.2
71.04995	3.6
73.02916	2.9
77.03914	1.8
77.46596	1.5
77.54668	1.8
79.05497	52.9
80.05806	1.5
81.03424	14.1
81.07065	57.5
83.04994	9.2
83.08620	16.9
84.04514	7.5
85.02900	6.4
85.06546	3.8
86.09729	9.2
91.05490	44.1
92.05816	1.8
93.07046	43.0
95.04977	13.4
95.08615	25.7
97.02908	10.7
97.06548	9.4
97.10168	14.2
98.98450	1.8
99.04514	2.6
99.08093	2.6
105.06402	2.4
105.07043	31.8
106.07372	1.9
107.04948	10.6
107.08610	27.3
109.02883	2.5
109.06522	5.5
109.10168	18.5
111.04398	3.4
111.08076	3.9
117.07022	15.1
119.04982	2.4
119.08589	24.4
121.06503	6.6
121.10155	15.8
123.08076	5.0
123.11698	3.5
125.00013	5.7
125.09637	10.6
127.03944	2.5
129.05492	2.3
129.06989	7.2
131.08574	14.1
132.66408	1.5
133.06506	3.5
133.10147	14.0
135.08073	3.6
135.11711	10.5
137.09618	3.1
139.11124	1.8
141.07043	1.9
141.97743	1.6
143.08536	2.8
145.10110	14.9
147.08047	6.9
147.11751	7.5
149.09622	10.4
149.13261	8.7
151.11195	2.3
153.09128	1.7
155.08582	1.8
157.10114	4.2
159.11743	8.4
161.09644	3.1
161.13271	2.9
163.11203	7.4
169.10126	2.9
171.10269	1.7
171.11722	3.0
175.11217	2.7
177.12711	3.9
179.14340	3.0
181.12228	2.3
184.07352	30.9
184.08960	1.6
187.11150	1.6
189.11226	6.1
195.13799	4.6
198.17371	1.4
205.12302	2.9
209.11679	2.2
211.13232	2.4
223.13298	18.1
227.12819	4.1
229.14482	2.3
229.19554	1.7
234.02319	1.7
249.14821	2.9
253.14595	1.7
255.15927	6.9
257.13763	1.7
257.18939	4.0
269.17490	11.7
273.18530	13.3
275.20126	17.0
291.19565	100.0
292.19952	3.1
293.21088	2.1
303.92761	1.5
349.23651	10.7
365.23343	27.5
367.24796	2.9
413.17609	3.3
414.18106	4.6
516.43762	1.5
520.29688	1.9
520.37183	2.1
530.39832	2.4
545.34937	9.3
559.36322	40.5
639.42645	8.4
650.55945	1.6
692.40686	72.7
693.41571	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	692.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01880	3.6
55.05271	1.5
55.05513	20.0
57.03440	12.0
57.07063	2.9
57.73285	1.0
59.04998	2.2
61.02917	4.6
64.96292	1.0
64.96632	1.0
65.03934	2.5
66.20776	1.2
67.05505	84.5
69.03429	2.1
69.07072	16.2
70.96463	2.9
71.01338	1.4
71.04996	16.7
73.02922	1.7
77.03939	1.3
79.05494	36.9
81.03423	7.4
81.07057	100.0
83.04997	7.6
83.08620	16.6
85.02905	9.1
85.06544	7.2
87.04464	1.5
91.03961	2.1
91.05482	28.9
93.07044	47.3
95.04959	4.5
95.08614	16.2
97.02882	4.0
97.06518	11.0
97.10165	6.7
99.04500	1.0
99.08092	3.1
103.61873	1.0
103.80994	1.0
105.07037	13.1
107.04977	1.4
107.08596	29.2
109.06519	3.1
109.10160	26.1
111.08066	8.6
113.06027	1.8
117.07046	7.7
119.08560	7.7
121.10146	17.4
123.11705	9.4
125.09638	6.9
125.10448	1.1
127.03907	1.4
129.05489	1.9
131.08578	10.2
133.10135	15.5
135.08073	1.9
135.11696	9.6
137.09608	1.2
139.11206	1.4
143.07152	1.0
145.10117	3.2
147.11629	2.5
149.09633	1.5
149.13268	21.8
150.80864	1.3
151.11185	4.1
153.09019	1.2
153.12787	1.5
153.37631	1.1
155.10677	2.0
157.10162	1.6
159.11717	12.6
163.11165	3.1
165.12759	1.3
171.11699	1.0
173.11707	5.7
177.12698	7.1
183.13809	1.3
187.13388	2.6
191.10724	1.3
193.12292	1.8
195.13805	13.7
199.13313	2.4
209.11772	2.8
211.13264	2.0
213.14935	2.8
227.12805	3.0
229.14349	24.6
239.16402	1.7
254.17162	1.3
257.13864	1.7
267.15909	3.1
269.17480	43.5
270.17975	1.1
283.15524	1.9
301.16455	5.5
301.20111	8.1
393.26437	1.1
411.27277	2.9
423.27435	19.7
437.29013	40.2
438.29297	2.3
451.30795	6.8
462.72894	1.1
463.30566	91.5
464.30856	2.9
476.26114	1.1
495.32867	26.4
513.30591	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	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
55.01868	3.3
55.05513	12.4
57.03436	14.9
61.02919	3.7
65.07387	1.2
67.05509	22.0
69.03418	4.7
69.07071	6.4
70.10912	6.2
71.04994	4.3
73.08138	1.3
79.05495	22.1
81.03421	69.1
81.07058	30.3
83.04979	15.4
83.08624	26.8
85.02911	27.9
85.03413	0.9
85.06573	2.1
91.05486	33.9
93.07040	16.8
95.04971	27.5
95.08603	11.4
97.02918	3.5
97.06542	2.8
97.10184	6.3
98.20781	1.3
99.04468	1.2
99.08109	1.7
105.07032	23.1
107.04964	7.1
107.08601	8.2
108.00703	1.1
109.06535	5.7
109.10164	3.1
111.04449	3.1
111.08099	11.7
113.06029	3.4
115.05450	2.6
119.08591	22.7
121.06502	2.1
121.10158	9.8
123.08067	4.4
123.11762	2.1
125.09615	2.3
129.06995	12.3
131.08545	13.9
133.06477	2.3
133.10135	11.2
137.09660	2.6
142.07718	2.5
145.10104	3.0
147.08028	3.4
147.11697	16.8
149.09616	8.9
157.10162	17.2
163.11215	2.2
165.12746	3.2
175.11203	18.5
184.07353	1.6
188.76297	1.2
193.10446	2.0
193.12256	60.9
211.13304	100.0
218.24992	1.2
267.15924	36.4
285.16977	87.0
286.17328	1.4
313.64728	1.3
361.32758	1.3
367.22913	3.2
378.14584	1.3
385.23907	2.7
403.24777	1.4
441.26465	1.6
452.15546	1.3
459.27521	19.9
477.28503	23.2
495.29565	65.6
496.29623	2.8
701.19214	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.0
55.01880	13.5
55.05276	2.4
55.05517	30.8
57.03441	22.1
57.07071	4.4
57.34882	1.4
61.02919	6.4
61.58939	1.9
63.26137	1.3
63.55392	1.4
65.03938	4.0
67.05508	82.3
69.03435	7.2
69.07069	26.6
70.23303	3.3
70.23691	3.6
71.01337	1.7
71.04996	4.0
73.02322	1.4
73.02931	8.0
79.05501	50.9
79.05962	2.9
81.03425	22.5
81.07059	89.5
81.59444	1.9
82.04190	2.9
83.04985	17.4
83.08629	21.6
85.02917	8.9
85.06536	4.7
86.09721	1.7
87.74803	1.6
91.03973	2.5
91.05486	39.3
93.07050	56.8
93.07637	2.9
95.04966	18.7
95.08612	27.8
97.02921	8.0
97.06547	16.3
97.10175	13.8
97.23454	1.5
98.07320	2.9
98.20787	1.7
99.04433	1.8
99.08123	2.5
101.06049	1.6
105.07039	17.0
107.04962	12.6
107.08604	35.2
109.06514	5.5
109.10164	14.0
111.04449	3.6
111.08077	9.9
116.04714	6.3
117.07027	13.1
119.08599	13.2
121.06502	4.2
121.10141	17.8
123.08072	4.8
123.11696	2.2
125.09626	13.0
129.05492	21.4
129.07010	3.7
131.04991	2.0
131.08575	12.2
133.10121	17.5
135.08063	5.5
135.11697	14.3
137.09616	1.7
137.13246	1.7
143.07025	6.1
145.10110	7.1
147.08073	2.1
147.11685	7.8
149.09625	3.3
149.13271	28.9
151.11148	2.4
153.12700	2.8
155.08641	1.4
157.08606	11.4
157.10117	4.4
159.11702	11.3
163.11159	11.2
165.12764	1.5
171.06538	3.5
171.10172	4.8
173.09521	1.5
173.11740	4.4
175.11247	3.0
177.12764	5.5
181.12244	5.0
184.07339	4.8
189.11234	4.9
191.10593	3.2
193.12303	7.7
195.13808	18.5
199.13275	9.2
209.11696	8.5
211.13301	4.2
213.14923	2.0
227.12817	14.5
229.14401	4.4
265.14264	3.1
267.15939	9.8
269.17499	70.5
270.17770	1.9
279.86636	1.8
283.15463	9.9
301.16476	51.0
323.18478	2.8
393.26334	4.1
411.27460	5.2
413.21985	2.0
423.27365	19.4
459.27460	6.2
461.28946	4.9
477.28513	23.0
478.29327	10.2
495.29556	100.0
496.29672	3.6
603.31409	1.7
621.32343	5.0
639.33569	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	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.2
53.52378	1.5
55.01873	7.0
55.05513	36.0
57.03435	22.8
57.07058	1.9
59.04985	4.2
61.02932	10.0
65.03951	4.6
66.33430	1.7
67.05509	100.0
69.03427	6.1
69.07072	20.0
70.96240	3.5
71.04992	7.2
73.02915	6.6
73.98826	1.6
79.05499	44.5
81.03439	17.5
81.07062	79.7
83.04991	10.6
83.08629	25.9
85.02905	17.4
85.06543	4.8
86.05338	1.5
87.04483	4.9
91.03972	1.8
91.05486	27.2
93.07050	41.1
95.04456	1.5
95.04961	8.4
95.08614	22.5
97.02901	7.1
97.06547	10.1
97.10181	13.9
105.07038	10.6
106.12360	1.5
107.08598	28.5
108.08942	1.9
109.06512	3.0
109.10168	58.3
111.04472	2.1
111.08104	6.9
117.06993	8.8
119.08593	11.0
121.06590	3.1
121.10156	12.6
123.08051	2.8
123.11716	4.6
125.09624	15.6
127.03909	1.6
129.05490	6.1
131.08595	8.9
133.10124	14.3
135.08051	2.7
135.11719	9.9
137.09650	3.3
143.10690	2.8
145.10138	4.5
147.07977	2.0
147.11642	5.6
149.09593	2.2
149.13281	16.3
153.12778	3.8
155.10651	9.2
159.11646	9.3
163.11185	9.2
165.12862	2.5
173.09610	1.9
173.11801	11.2
175.11234	2.8
177.12793	4.6
181.12224	1.8
189.11224	2.7
191.10632	3.8
193.12318	7.6
195.13820	16.1
199.13316	6.9
206.58916	1.6
209.11758	8.8
211.13243	4.5
226.04356	1.4
227.12794	7.8
229.14374	53.7
239.16412	3.8
267.15891	8.2
269.17496	57.5
283.15439	4.9
301.16464	19.4
304.57050	1.9
339.04642	1.6
385.93707	1.8
411.27527	6.5
423.27481	33.2
477.28531	2.4
495.29541	56.5
496.29706	2.9
513.23615	2.2
513.30695	25.5
579.07910	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	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.4
55.01881	7.3
55.05277	2.0
55.05518	31.1
57.03435	19.4
57.07071	2.1
59.04988	3.4
61.02925	4.9
61.22626	1.3
62.46350	1.4
65.03943	2.6
67.05510	100.0
69.03434	4.8
69.07082	19.8
70.16606	2.9
70.16998	2.7
71.04984	4.8
73.02914	4.2
77.94139	1.4
79.05499	38.2
81.03419	12.5
81.07064	78.4
83.04993	8.0
83.08625	24.1
85.02914	16.1
85.06539	5.1
87.04460	3.4
91.03925	4.0
91.05488	31.1
93.07049	45.1
93.07639	2.6
95.04979	8.1
95.08616	21.2
95.34300	1.4
97.02908	6.9
97.06525	8.9
97.10169	12.8
99.08081	2.4
105.07049	11.9
107.04956	3.3
107.08601	30.8
109.06508	4.0
109.10164	45.7
111.08068	5.5
117.07034	8.6
119.08605	11.0
121.06548	2.7
121.10159	9.0
123.08061	1.8
123.11693	3.9
125.09645	14.5
126.23068	1.5
129.05495	3.6
129.06940	3.1
131.08582	7.2
133.10149	13.7
135.08025	2.0
135.11719	9.1
137.09605	4.2
143.10690	2.2
145.10139	4.2
147.11691	3.8
149.13271	10.1
153.12796	3.5
155.10687	6.0
157.10080	1.7
159.11646	7.3
163.11203	6.0
165.12683	1.8
171.10210	2.3
173.11749	8.6
175.11351	2.2
177.12752	5.0
181.12212	2.7
191.10785	2.6
193.12245	4.3
195.13840	15.4
199.13324	4.3
209.11861	7.4
211.13379	1.7
227.12758	6.1
229.12123	2.4
229.14378	42.9
239.16371	1.9
257.13870	3.9
264.68619	1.6
267.15897	5.5
269.17502	60.2
283.15347	6.2
301.16534	16.0
393.26547	1.9
411.27286	5.9
423.27411	33.7
424.28146	1.6
495.29504	53.6
496.30252	2.3
513.30634	21.9
599.59723	2.4
617.51300	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
55.01870	3.8
55.05267	2.2
55.05518	25.8
57.03455	9.2
57.07073	3.1
60.08154	6.4
64.07370	1.8
65.89594	1.8
67.05512	56.4
69.03433	12.1
69.07073	17.9
69.43941	3.5
69.44353	11.1
71.04997	5.0
71.07378	4.0
73.02923	1.9
77.03957	2.9
79.05502	38.2
81.03426	26.6
81.07067	67.2
83.04992	15.8
83.08630	11.1
83.84517	1.8
85.02921	5.0
85.06580	1.7
86.09225	3.0
86.09719	37.6
87.10067	5.0
91.05495	29.8
93.07056	41.2
95.04976	6.2
95.08054	3.3
95.08617	36.2
97.02887	8.5
97.06555	8.9
97.10179	5.0
98.98485	3.1
99.04472	3.2
103.04037	1.9
104.10760	2.7
105.07039	22.1
106.19147	2.2
107.04967	4.8
107.08598	22.7
109.02879	5.8
109.06569	3.2
109.10175	15.8
111.04432	3.6
111.08059	4.1
117.07047	10.7
119.08598	16.6
121.06520	3.1
121.10152	19.0
123.11721	7.4
125.00021	25.7
127.03980	4.1
128.06230	2.6
129.05492	4.8
129.07002	6.4
131.08566	14.3
133.10144	11.6
135.08115	1.8
135.11708	14.2
137.09729	1.8
137.13239	2.5
141.06897	2.0
143.08597	6.5
145.06444	2.4
145.10150	11.1
147.11720	12.0
149.13297	10.7
155.08572	3.9
157.10139	4.7
159.08078	2.6
159.11678	10.4
161.13264	4.8
163.11180	4.5
169.10118	3.5
171.08038	2.0
171.11716	5.3
173.09573	2.6
173.13274	3.6
177.12778	4.5
183.11661	2.9
184.07358	100.0
185.07748	17.1
185.09512	2.7
187.14784	1.8
189.12837	2.3
195.13824	7.1
197.13316	1.9
199.14906	2.3
211.14789	1.8
213.12802	1.9
227.12717	3.7
261.22186	4.3
267.16043	4.7
269.17477	15.7
275.13718	1.8
285.17239	2.0
335.25909	13.5
369.24222	4.8
397.16696	2.1
405.26382	1.9
411.20193	1.8
461.29248	3.2
479.29608	2.9
519.36938	8.2
529.38861	22.2
637.40161	2.3
655.41772	3.7
673.42657	7.8
691.44391	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	691.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01871	2.5
55.05511	5.4
57.03436	3.0
57.07068	0.8
59.04994	0.6
60.08157	1.4
61.02927	6.2
64.41824	0.6
65.03959	1.0
67.05511	16.4
69.03432	5.7
69.07072	3.7
71.04991	1.5
71.07371	0.8
71.08641	0.9
73.02920	4.9
79.05495	7.5
81.03423	7.3
81.07058	13.9
83.05009	1.5
83.08595	3.2
84.04558	0.6
85.02913	6.3
86.09712	7.8
87.10036	1.6
91.03947	4.1
91.05487	7.4
93.07046	7.9
95.04963	1.9
95.08609	8.5
97.02898	6.5
97.06538	1.7
97.10162	1.7
98.20737	1.4
98.98492	2.3
99.04446	1.4
101.02400	2.1
104.07916	0.6
105.07053	4.0
107.04979	1.2
107.08602	5.4
109.02895	2.5
109.10176	7.3
111.04445	0.7
117.07038	2.0
119.08599	4.2
121.10155	4.0
123.08085	0.8
123.11711	1.6
125.00024	4.7
127.00436	1.2
127.03917	2.0
129.05548	0.9
129.06975	1.4
131.08540	3.0
133.06488	0.8
133.10147	2.5
135.11705	2.4
137.09612	0.9
143.08571	0.7
145.10156	2.3
147.11740	1.6
147.21339	0.6
149.13254	0.9
155.10658	0.7
157.10199	0.9
159.11693	1.1
161.13232	1.1
163.11183	1.2
170.57906	0.6
171.11731	1.3
173.04515	0.9
173.11830	0.9
184.07347	20.1
185.07698	5.4
185.09283	0.7
186.07799	4.8
187.08133	1.2
193.12283	1.2
195.09959	0.7
209.11760	2.2
211.13338	2.3
227.12842	1.1
229.14470	0.8
243.08464	2.0
261.22253	0.8
265.14383	0.7
269.17569	0.8
275.19962	0.9
311.25845	1.3
335.25916	0.9
337.27454	0.8
413.17801	4.6
447.48657	0.6
519.29327	9.1
519.37012	3.6
529.38989	2.8
547.40033	1.0
673.42670	1.0
691.40265	100.0
692.40741	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	691.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01872	2.5
55.05515	5.9
57.03439	3.6
57.07064	1.4
60.08163	0.7
61.02927	5.8
65.03925	0.9
66.58547	0.4
66.96539	0.5
67.05508	18.7
69.03437	5.0
69.07070	6.4
69.96030	0.4
71.01362	0.5
71.04981	1.7
71.08605	1.0
71.51462	0.6
73.02913	3.7
79.05495	8.1
81.03426	7.5
81.07063	13.3
83.04974	3.4
83.08620	4.5
85.02917	6.8
85.06547	0.7
85.64088	0.5
86.09706	2.6
87.04441	0.6
91.03953	4.0
91.05490	7.5
93.07047	9.0
95.04967	2.6
95.08616	8.5
97.02901	7.8
97.06525	2.3
97.10170	2.2
98.98470	2.8
99.04459	1.5
101.02380	2.2
103.03925	1.0
104.64627	0.5
105.07034	5.4
107.04975	2.2
107.08592	4.5
109.02876	1.6
109.06520	0.9
109.10168	11.1
111.04441	1.7
111.08098	1.4
117.07030	2.7
119.08588	4.3
121.06517	0.7
121.10150	3.3
123.04481	0.5
123.11707	1.3
124.11697	0.5
125.00004	2.1
125.09637	0.8
127.03933	1.8
129.05482	0.7
129.07019	1.0
131.08537	3.1
133.06493	0.8
133.10136	2.3
135.11679	2.1
137.09644	0.9
142.07753	0.6
143.08537	0.9
145.10152	2.2
147.08104	1.0
147.11708	2.2
149.09648	1.3
149.13306	1.2
151.11105	0.6
155.10663	0.9
157.10153	1.1
159.08182	0.5
159.11722	1.5
161.09575	0.6
161.13268	1.2
163.11237	1.8
165.12811	0.6
169.10190	0.8
171.11674	0.7
173.09648	0.9
173.11771	1.9
184.07372	7.4
185.04303	0.7
185.07704	2.1
186.07837	1.7
191.10657	0.5
193.12227	1.9
195.09978	0.6
201.16486	0.5
209.11786	1.5
211.13261	0.9
223.13402	0.7
227.12830	1.2
229.14410	1.9
243.08514	2.1
249.14964	0.6
265.14432	1.1
267.15732	0.6
269.17477	0.9
275.20142	1.8
283.15436	1.2
291.19473	2.6
293.21133	0.6
311.25818	1.5
335.26001	1.2
413.17804	10.3
501.35922	1.0
519.29285	3.9
519.36951	5.5
529.39154	2.3
673.43158	0.6
691.40289	100.0
692.40808	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	691.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05509	0.9
55.18139	0.2
57.03447	0.5
62.22778	0.2
63.63394	0.3
67.05506	2.7
68.05819	0.3
69.03432	0.6
69.07075	0.6
70.06591	0.4
70.10284	0.9
71.04980	0.4
73.91222	0.3
79.05492	1.8
81.03411	1.9
81.07056	2.8
82.07389	0.4
83.04991	0.7
83.08624	1.0
83.34618	0.3
85.02923	0.8
85.06554	0.4
91.05482	2.2
91.11977	0.2
93.07046	2.4
95.04982	0.9
95.08608	1.1
97.02910	0.4
97.06528	0.5
97.10188	0.4
99.04441	0.4
105.07045	1.5
107.04962	0.5
107.08612	1.2
109.06521	0.5
109.10184	0.8
111.04492	0.5
117.07041	0.3
119.08585	0.6
121.06500	0.5
121.10151	0.8
129.07031	0.5
131.08626	0.7
132.09032	0.4
133.10114	1.5
135.08151	0.4
135.11723	0.6
145.10164	1.0
147.08029	0.3
147.11761	0.5
149.09596	0.4
157.10115	0.3
159.11789	0.3
163.11232	0.6
175.81743	0.3
184.07394	0.8
191.10651	0.4
193.12282	0.5
198.15916	0.3
211.13298	0.6
227.12820	0.4
244.22820	0.3
267.15979	1.2
268.16388	0.4
275.20102	0.4
283.15573	1.0
284.15820	0.8
285.17163	0.4
347.85730	0.3
349.23798	1.6
398.14041	0.3
399.14410	0.4
400.15485	1.5
401.16211	0.7
403.18127	0.6
413.16229	0.8
414.17404	0.5
415.13733	0.3
416.15219	0.8
421.18863	0.3
426.17059	0.5
427.17923	1.1
428.14905	0.9
429.15286	2.1
430.16516	3.2
431.17270	1.3
432.17917	0.4
440.14664	0.4
441.20081	0.6
442.12094	0.6
442.17392	0.6
443.17154	3.7
444.18427	1.8
445.18704	0.4
453.15839	0.3
454.16623	0.5
455.17316	0.6
456.14215	1.0
456.19327	0.4
457.19238	3.3
458.19693	2.6
459.21246	1.7
461.28586	0.3
467.17203	1.1
469.18799	1.1
470.12390	1.6
471.16653	0.5
471.21326	0.3
472.18137	0.3
473.18576	0.6
475.26590	0.4
476.27325	0.7
477.21133	0.4
477.28244	0.5
482.16281	0.5
483.12085	0.4
483.17950	1.4
484.13281	3.7
485.19519	2.1
486.19373	0.4
487.20248	0.6
493.28073	0.9
494.16544	0.3
494.28317	1.7
497.14520	1.2
497.18918	1.3
498.15027	1.9
499.15955	3.3
500.16684	0.4
511.16031	2.3
512.16925	3.7
513.17554	5.1
514.18646	2.7
516.20483	0.4
523.15906	2.1
525.17627	3.5
526.18408	1.1
527.19147	1.2
528.20392	0.3
529.20697	1.0
530.20575	0.4
538.17896	0.3
539.16162	0.9
541.19373	0.3
543.18750	0.4
544.20245	0.9
545.24469	1.3
555.19391	1.0
561.23132	0.3
571.18817	1.0
573.23639	2.9
574.23340	0.3
585.20288	0.9
599.21490	0.9
600.22180	3.6
601.22986	9.5
602.20978	1.0
614.24158	0.4
615.24646	0.4
617.22363	1.0
631.23212	0.4
632.24835	1.0
633.22491	0.4
659.23444	0.4
660.23969	0.8
661.21686	0.5
673.25232	0.7
676.23950	1.1
691.26123	100.0
692.26343	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	691.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83489	0.4
55.01867	0.4
55.05517	1.0
57.03421	0.6
59.21219	0.3
67.05517	2.7
69.03416	0.4
69.07069	0.7
69.10042	0.4
69.48479	3.1
71.04999	0.4
73.73976	0.4
79.05514	2.3
81.03426	2.6
81.07079	3.1
83.04978	1.0
83.08611	1.2
86.09750	0.5
91.05477	2.0
93.07051	1.8
95.04998	0.5
95.08628	1.6
97.02889	1.0
97.06525	0.6
98.20878	0.9
105.07032	1.4
107.08598	1.0
109.06606	0.4
109.10178	1.1
111.04430	0.5
111.08103	0.6
117.07037	0.7
119.08595	0.8
121.10159	0.5
124.99997	0.5
131.08611	0.6
133.10132	1.2
134.10498	0.5
135.11690	0.7
145.10155	0.6
147.11754	0.7
149.02275	0.5
149.13234	0.4
152.23602	0.4
163.11169	0.7
184.07408	1.2
191.56578	0.3
193.12383	0.5
211.13368	0.6
267.15921	1.3
268.16394	0.6
269.17435	0.5
283.15536	1.4
284.15894	0.7
285.16849	0.7
286.17438	0.4
324.11276	0.4
349.24011	0.6
386.13846	0.5
399.14572	0.6
400.15604	1.3
401.16397	0.6
413.16504	0.6
414.17093	0.6
415.13831	0.8
416.14841	1.0
426.17224	0.6
427.18213	1.0
428.14975	1.2
429.15707	1.6
430.16519	4.5
431.17325	0.9
438.13226	0.5
442.16864	0.6
443.17148	3.5
444.18073	1.3
445.18716	0.5
454.16467	0.9
455.17249	1.1
456.13641	0.6
456.19376	0.5
457.19177	3.5
458.20032	2.4
459.20981	2.1
461.28577	0.5
462.29477	0.5
467.17200	1.4
469.14825	0.7
470.12112	1.1
471.16293	0.7
473.18158	0.4
476.27029	0.6
481.14548	0.6
483.12173	0.6
483.17581	1.0
484.13037	3.4
485.13806	0.8
485.18994	1.4
486.12259	0.5
486.19250	0.6
487.19949	1.2
493.27960	0.8
494.28467	1.4
495.16486	0.6
496.18134	0.5
497.14078	0.9
497.18314	1.4
498.15512	1.6
499.15900	3.2
501.18311	0.5
511.15863	2.2
512.16974	3.7
513.17670	4.7
514.18701	2.9
523.16589	1.5
525.17590	2.9
526.18884	1.1
527.19037	1.7
529.20496	1.4
539.15710	1.0
544.18903	0.7
545.24066	1.8
553.17065	0.5
555.18860	0.7
573.23975	1.9
585.19641	0.6
599.21912	1.0
600.22345	3.5
601.23077	9.4
602.21265	0.9
617.22809	1.4
632.24750	1.4
660.24261	0.7
661.22247	0.5
676.23578	1.7
691.26147	100.0
692.26453	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	690.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59983	0.8
55.05514	7.3
56.05016	1.3
57.03440	11.2
57.07076	17.7
60.08158	5.5
61.02330	0.9
61.02911	1.4
65.03943	1.3
67.05507	27.8
69.07069	8.9
71.01343	2.5
71.04990	1.8
71.07371	2.6
71.08629	12.9
71.51743	1.3
73.02915	1.3
78.53635	0.9
79.05495	19.1
81.03426	3.2
81.07060	15.7
83.04980	5.4
83.08621	5.4
85.02925	1.8
85.06532	1.9
85.10185	8.2
86.09706	31.9
88.41432	0.9
89.06030	1.1
91.05476	7.5
93.07046	21.5
95.04951	2.0
95.08624	11.9
97.06544	6.4
97.10165	7.5
98.98468	4.0
104.10742	1.8
105.07040	2.1
107.08600	16.9
109.10173	7.9
117.07021	3.1
119.08556	3.1
121.06533	1.0
121.10162	4.8
123.11703	2.1
125.00003	20.0
133.10153	2.8
135.10692	2.1
135.11691	28.1
145.10127	6.5
160.07584	1.0
163.11166	3.5
181.12228	6.8
184.07343	100.0
199.13315	1.2
229.14317	2.2
255.15909	71.3
313.27383	37.3
339.28836	1.1
460.38547	1.1
493.38904	58.4
494.38898	1.7
550.99957	1.1
690.46411	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	690.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59983	0.8
55.05514	7.3
56.05016	1.3
57.03440	11.2
57.07076	17.7
60.08158	5.5
61.02330	0.9
61.02911	1.4
65.03943	1.3
67.05507	27.8
69.07069	8.9
71.01343	2.5
71.04990	1.8
71.07371	2.6
71.08629	12.9
71.51743	1.3
73.02915	1.3
78.53635	0.9
79.05495	19.1
81.03426	3.2
81.07060	15.7
83.04980	5.4
83.08621	5.4
85.02925	1.8
85.06532	1.9
85.10185	8.2
86.09706	31.9
88.41432	0.9
89.06030	1.1
91.05476	7.5
93.07046	21.5
95.04951	2.0
95.08624	11.9
97.06544	6.4
97.10165	7.5
98.98468	4.0
104.10742	1.8
105.07040	2.1
107.08600	16.9
109.10173	7.9
117.07021	3.1
119.08556	3.1
121.06533	1.0
121.10162	4.8
123.11703	2.1
125.00003	20.0
133.10153	2.8
135.10692	2.1
135.11691	28.1
145.10127	6.5
160.07584	1.0
163.11166	3.5
181.12228	6.8
184.07343	100.0
199.13315	1.2
229.14317	2.2
255.15909	71.3
313.27383	37.3
339.28836	1.1
460.38547	1.1
493.38904	58.4
494.38898	1.7
550.99957	1.1
690.46411	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	690.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01868	1.7
55.05513	19.2
57.03440	13.2
57.07073	6.9
58.06601	0.9
59.04993	3.5
59.63789	0.9
60.08167	4.6
61.02924	4.2
65.03945	2.1
66.89790	0.9
67.05508	80.9
68.10728	0.9
69.03419	3.0
69.07072	22.1
69.19931	2.3
69.20332	9.0
71.04981	3.6
71.07369	3.4
71.08620	3.1
73.02914	1.8
79.05498	13.8
81.03426	10.8
81.06590	1.7
81.07061	29.3
83.04983	1.8
83.08627	20.5
85.02895	4.2
85.06554	2.8
85.10165	1.9
86.09711	21.6
91.05485	10.9
93.07050	13.2
94.07365	1.2
95.04963	4.1
95.08611	22.6
97.02872	2.6
97.06558	2.3
97.10173	10.1
98.98450	3.1
104.10729	2.1
105.07027	3.8
107.08604	7.8
109.02890	1.1
109.06508	1.4
109.10161	72.0
111.04402	1.0
111.08119	4.8
111.11705	1.2
117.07077	1.2
117.61057	1.0
119.08609	7.7
121.10131	8.9
123.11700	2.3
125.00011	16.6
125.09663	1.1
127.03876	1.7
129.07051	1.6
131.08553	2.3
133.10143	1.2
135.11682	4.8
137.09616	3.4
145.06555	0.9
147.11697	1.5
149.13228	2.1
155.10654	7.0
164.63849	1.1
165.16368	1.1
166.19518	1.0
173.11731	16.8
184.07347	78.8
193.12224	3.8
211.13315	3.9
212.13644	2.0
229.14365	100.0
255.06998	0.9
265.25153	2.3
339.28952	82.2
393.26303	1.2
406.90375	1.0
493.38904	62.3
494.39120	1.4
519.36792	1.2
672.42834	1.2
690.44385	5.7
704.08234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.37
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01876	6.1
55.05273	1.1
55.05516	16.4
57.03441	13.7
57.07084	0.8
59.05000	2.6
61.02929	4.2
65.03934	1.0
67.05508	20.3
69.03441	3.4
69.07069	6.0
70.17482	1.1
70.17878	1.6
71.01334	1.1
71.05001	4.3
73.02908	1.8
79.05497	26.0
81.03423	44.4
81.07062	28.8
83.01360	5.6
83.04990	14.7
83.08623	18.4
85.02913	16.3
85.06547	1.6
87.04475	1.1
91.03970	1.9
91.05484	23.9
92.05804	0.7
93.07048	22.8
95.04974	19.5
95.08614	9.9
97.02914	4.8
97.06535	4.6
97.10176	4.5
98.20814	0.8
98.56590	0.7
99.04475	1.5
99.08098	1.1
105.04500	0.8
105.07039	17.8
107.04971	8.8
107.08602	11.2
109.02895	1.1
109.06526	7.4
109.10185	3.2
111.04446	3.0
111.08099	5.9
113.06042	1.7
115.05424	1.6
117.07020	5.9
119.08583	15.9
121.06521	3.3
121.10154	9.2
123.08054	6.8
123.11732	1.2
125.06028	1.0
125.09638	1.8
127.03927	1.2
127.22100	0.6
129.07024	7.5
130.07860	0.7
131.08563	7.2
133.06491	1.5
133.10147	7.7
135.08075	2.2
135.11697	8.3
137.09596	2.3
142.07809	2.0
143.08553	1.2
145.06465	0.9
145.10130	11.6
147.08081	3.1
147.11713	8.2
147.39552	0.7
149.09634	4.0
153.12770	2.0
155.08531	1.1
157.10136	7.6
163.11203	15.5
165.12791	1.2
173.09624	2.7
175.11203	7.8
181.12254	2.2
184.07376	1.9
191.10687	1.9
193.12257	23.6
209.11766	5.0
211.13309	43.9
212.13495	0.9
227.12758	4.9
249.14992	1.0
267.15945	11.7
267.18610	0.9
283.15417	58.7
284.15884	2.2
285.16977	36.3
383.22308	3.7
401.23462	1.7
457.25623	3.6
458.09494	0.7
475.27023	16.4
476.27197	0.8
493.27985	100.0
494.28421	4.2
615.39240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48583	0.1
55.05507	0.2
56.05042	0.8
57.03418	0.1
57.07072	0.2
58.06625	0.4
59.07412	0.1
60.08165	6.4
67.05502	0.5
69.07056	0.3
70.04523	0.1
70.04932	0.3
71.06980	0.2
71.07375	3.6
71.08615	0.1
71.92506	0.1
79.05489	0.3
80.97427	0.1
81.07070	0.5
81.15939	0.1
83.08608	0.2
84.08128	0.3
86.09709	32.5
87.10028	0.2
91.05481	0.1
93.07039	0.2
95.08617	0.3
98.98466	3.7
104.10052	0.2
104.10747	2.6
105.07036	0.2
107.08587	0.1
109.10154	0.1
121.10198	0.1
124.93108	0.1
125.00008	22.3
130.08652	0.3
135.11595	0.1
143.01057	0.1
166.02644	0.1
184.07346	100.0
185.07686	0.5
269.47107	0.1
496.34073	0.2
519.37091	0.1
591.20392	0.1
690.47150	5.3
691.46436	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	690.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01860	3.8
55.05513	13.4
57.03440	12.4
61.02935	1.5
67.05509	22.0
69.03423	3.7
69.07075	6.9
69.45166	3.5
69.45576	3.1
69.97965	1.0
71.05001	5.5
73.02914	2.0
79.05016	1.2
79.05495	30.2
81.03424	39.1
81.07062	27.3
83.04993	10.0
83.08626	19.4
85.02433	1.5
85.02911	16.6
85.06535	1.8
91.05485	21.7
93.07052	33.4
95.04967	19.0
95.08615	31.3
97.02898	4.0
97.06535	4.4
97.10172	3.2
97.52934	0.9
99.04480	2.7
105.07034	15.7
107.04974	8.9
107.08602	25.3
109.06519	3.8
109.10152	3.2
111.04438	2.5
111.08085	7.3
113.05995	1.4
117.07019	8.6
119.08597	17.4
121.06509	4.4
121.10152	13.1
123.08091	1.9
125.06007	1.9
129.05486	1.3
129.07034	6.9
131.08601	7.8
133.06453	1.6
133.10132	7.7
135.08022	2.1
135.11697	35.8
135.12726	1.8
137.09663	1.5
142.07800	1.9
145.10135	23.2
147.08017	2.5
147.11676	7.4
149.09641	4.0
157.10141	9.4
163.11194	53.9
165.12773	2.3
175.11197	6.7
181.12262	9.4
184.07426	1.6
193.12244	22.1
193.13882	1.8
209.11734	1.9
211.13306	32.5
227.12785	53.9
236.90622	1.1
267.15933	26.4
283.15427	57.8
284.15787	1.3
285.16977	46.0
301.16385	1.6
305.57312	1.1
475.26926	29.8
493.27997	100.0
494.28409	2.8
576.44855	1.1
613.48340	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	3.2
53.03946	16.4
55.01867	8.0
55.05513	32.4
57.03453	12.2
57.07101	2.2
62.98883	1.9
64.93127	1.9
65.03947	6.9
67.04272	2.4
67.05507	82.5
68.80628	2.5
69.03089	2.9
69.03436	34.7
69.07074	20.0
71.04999	12.9
79.05494	79.7
79.89259	2.2
81.03425	100.0
81.07061	88.4
81.07452	1.4
83.04989	22.1
83.08628	20.5
84.24657	2.0
85.02908	22.2
85.06532	4.5
91.05485	63.6
93.07050	70.5
95.04960	32.3
95.08611	50.5
97.02897	22.5
97.06525	7.1
97.10187	7.7
99.04461	7.0
105.04515	3.5
105.07036	52.8
107.04974	14.3
107.08600	34.0
109.02876	13.3
109.06522	9.6
109.10164	18.1
111.04450	8.7
111.08089	10.0
115.05474	4.0
117.07033	20.3
119.04935	3.1
119.08592	43.5
121.06516	7.8
121.10161	29.2
122.09192	2.5
123.04435	4.9
123.08075	4.8
123.11713	6.4
125.09612	4.2
127.03925	12.6
128.06189	2.5
129.06999	21.2
131.08571	25.7
133.06497	8.0
133.10135	26.8
135.08037	4.1
135.11707	16.0
137.06015	3.4
137.09651	4.0
141.06931	5.5
142.07808	2.7
143.08545	12.8
145.06500	2.7
145.10120	21.1
147.04417	2.5
147.08052	6.1
147.11699	29.8
149.05943	3.3
149.09679	5.0
149.13275	6.3
153.12782	3.9
155.08572	8.5
157.10158	17.9
159.08095	3.8
159.11714	12.1
161.13298	7.5
163.11176	7.1
165.12762	7.1
169.10101	6.2
171.08109	3.2
171.11707	8.8
173.04506	4.0
173.09654	2.6
173.13272	8.8
175.11215	11.7
175.14911	3.7
177.12784	2.3
181.10152	5.6
181.12222	4.8
183.11783	6.2
185.09528	3.5
185.13324	6.4
187.14836	3.9
191.10696	7.8
193.12251	39.7
195.11642	5.2
197.13298	4.2
205.12253	3.1
207.13776	3.0
211.13272	42.5
211.14957	2.8
227.12671	3.6
229.12151	2.8
229.14285	3.5
235.13239	4.6
259.20609	3.9
261.22064	11.3
267.15753	11.0
273.14850	3.6
277.09546	2.2
277.14639	2.5
277.21719	4.1
285.17020	7.3
301.14417	5.4
301.21637	3.0
327.23077	2.9
335.25790	18.8
337.16684	3.5
351.23276	6.5
355.17538	3.8
369.24347	7.2
387.25235	5.1
411.20020	6.0
425.33679	3.0
435.32471	2.8
461.28729	3.2
527.37482	20.2
543.36523	3.1
545.38000	6.9
635.39404	3.1
653.40112	8.3
671.41241	9.2
689.42566	52.2
690.42255	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	689.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31392	0.5
53.03942	1.5
55.01863	1.7
55.05514	3.7
57.03442	3.0
61.02931	3.2
67.05508	9.9
69.03445	3.1
69.07081	2.5
71.04988	1.2
73.02927	2.9
79.05499	9.1
81.03429	4.9
81.07063	7.9
83.04987	2.4
83.08633	1.6
85.02902	4.8
85.06525	0.8
91.03951	2.3
91.05481	8.7
93.07051	8.4
95.04964	2.9
95.08613	4.9
97.02887	3.2
97.06524	1.3
97.10153	1.5
99.04452	0.7
99.08111	0.5
101.02365	1.2
101.41676	0.5
105.06387	0.8
105.07037	7.0
107.04969	1.6
107.08582	3.5
109.02889	1.1
109.06551	0.9
109.10172	2.5
110.37289	0.5
111.04481	0.9
117.07021	2.0
119.08598	3.8
121.06469	0.8
121.10151	1.4
123.08070	1.3
123.11703	0.5
125.09660	1.3
127.03944	1.5
129.07014	1.8
129.70900	0.5
131.08582	2.2
133.10132	3.4
135.08139	0.8
135.11716	1.1
143.08574	1.5
145.10120	1.4
147.08072	0.7
147.11696	4.9
149.09666	0.6
155.10750	0.7
157.10081	0.8
159.11742	0.6
161.09619	0.6
161.13335	0.7
163.11211	0.8
165.06970	0.6
171.11736	2.2
182.42892	0.8
183.11684	0.5
184.07394	2.0
189.12718	0.8
189.26147	0.6
207.13800	0.6
243.08470	2.2
247.13077	2.1
273.18454	1.0
291.19519	0.7
299.65311	0.6
303.15771	0.7
392.66528	0.6
429.29294	0.6
465.20987	15.4
495.46036	0.5
527.37091	1.1
653.40045	0.7
689.34998	100.0
690.35522	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	689.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01860	3.4
55.05511	9.2
57.03429	4.5
57.07074	2.3
59.76644	1.0
60.08159	2.5
60.24245	0.9
65.03944	2.3
65.74309	1.0
67.05185	1.3
67.05511	21.2
69.03436	6.3
69.07074	7.1
71.04996	1.9
71.07385	2.6
71.08635	1.4
79.05495	16.2
80.76559	0.9
81.03421	16.1
81.07059	20.3
83.04993	4.1
83.08615	4.0
85.02894	3.0
86.09707	13.7
89.06023	1.6
91.05478	14.9
93.07051	14.7
95.04969	6.7
95.08620	9.6
95.25562	1.0
97.02889	5.8
97.06544	2.2
97.10172	2.8
98.98466	3.0
99.08096	1.2
105.07045	11.8
107.04966	3.2
107.08603	7.9
109.02864	2.7
109.06493	2.5
109.10148	5.0
111.04409	1.5
111.08055	1.1
113.05948	1.4
117.07025	5.2
119.08617	8.9
121.06522	1.7
121.10149	5.9
123.04440	1.0
123.08124	2.1
123.11710	1.9
124.99985	7.8
125.09625	1.2
127.03937	2.6
129.05498	1.7
129.07010	4.1
131.08578	7.6
133.06517	2.2
133.10133	8.0
135.08017	1.6
135.11719	4.2
137.09633	1.5
141.07018	1.3
143.08557	3.2
145.06563	1.1
145.10152	4.9
147.08141	1.5
147.11723	4.9
149.09639	3.0
149.13272	2.4
155.08551	1.8
157.10155	4.3
159.07996	1.6
159.11673	3.8
161.13315	1.4
165.12738	1.3
169.10127	1.1
171.11688	2.4
173.04457	3.0
173.09601	1.2
173.13298	2.2
175.11192	3.9
179.14372	1.9
184.07347	47.7
184.08983	2.3
185.07637	3.5
187.14851	1.2
193.12279	2.6
197.13300	1.7
211.13237	1.7
229.12393	1.3
229.14427	1.4
233.15718	1.2
243.21196	1.2
267.15958	2.9
273.18506	2.0
277.21622	1.3
291.19525	4.1
307.95514	1.2
335.25851	3.6
384.11923	2.0
385.13049	6.8
386.14560	2.0
396.32516	1.0
397.13095	2.0
398.13693	9.0
399.14581	13.1
400.15457	19.7
401.16318	2.2
410.13223	1.2
411.14761	1.6
412.15347	8.3
413.16141	20.5
414.16916	12.5
418.17700	2.1
425.16483	2.0
426.17123	2.6
427.13101	3.7
427.18512	12.9
428.18552	14.1
429.19519	14.3
431.17355	1.3
435.01630	1.2
440.14435	2.9
441.14700	6.7
442.16437	12.5
445.14243	1.5
446.17654	1.8
455.10788	1.7
455.17133	34.6
456.17712	18.4
457.14764	1.5
458.15964	2.9
459.16510	5.7
460.16699	1.9
471.16595	1.7
481.14981	2.4
482.15936	1.8
483.16718	26.3
484.16620	10.2
486.19034	1.6
487.15802	2.9
487.20657	1.8
488.16306	3.8
494.15601	1.2
495.16772	1.7
496.17273	1.7
499.16379	7.3
500.16425	1.8
501.17789	1.5
511.20120	2.6
513.13782	1.4
515.19006	1.3
516.19873	1.5
519.32715	1.4
523.16284	2.3
524.17358	1.4
527.15594	24.3
527.37109	4.2
528.15875	19.7
529.15735	2.1
538.17865	2.1
539.19110	11.5
543.22449	17.8
544.22101	1.7
571.21899	100.0
572.22314	6.5
574.24359	8.9
586.20093	1.7
587.21063	2.6
601.23071	7.8
602.23688	32.6
603.23975	1.8
612.36151	1.4
614.20483	1.9
615.20764	4.0
617.25684	2.9
629.22375	35.3
630.22797	65.2
631.22443	5.6
643.23895	1.5
657.21887	58.3
658.21954	4.6
661.24683	3.2
671.40619	2.6
689.24536	20.2
689.42389	9.0
693.35583	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61274	1.6
53.03947	1.5
55.05319	1.2
55.05516	14.8
57.03437	9.8
57.07076	3.8
58.06557	1.5
59.04988	3.4
60.08155	3.6
61.02921	4.2
65.03931	2.9
67.05507	85.1
68.05806	1.7
69.07067	10.9
71.04964	2.4
71.07387	2.1
71.52206	1.9
73.75872	1.5
73.89534	1.9
75.05160	1.4
75.21003	1.6
75.79735	1.5
79.05492	8.9
81.03462	2.2
81.06596	2.0
81.07056	34.5
81.07526	2.2
83.08617	12.3
85.02907	3.9
85.06510	1.9
86.09706	18.9
89.05965	2.2
89.94754	1.3
91.05470	12.7
93.07037	10.1
95.04972	1.7
95.08608	28.5
97.02860	2.1
97.06514	2.1
97.10176	4.1
98.98451	2.4
105.07052	7.1
107.08582	7.6
109.10159	67.7
111.08098	5.3
119.08588	10.1
121.10104	4.3
123.11675	3.1
125.00006	11.3
133.10109	3.6
135.11682	2.2
137.09616	3.4
147.11743	2.8
155.10654	6.2
173.11737	17.3
176.03673	1.6
179.06567	1.7
180.24406	1.5
184.07344	48.2
193.12303	2.1
229.14348	100.0
263.23746	3.8
337.27386	62.7
338.27777	3.1
373.01114	1.7
390.71243	1.6
445.25867	1.6
491.37308	46.2
531.83545	1.9
625.99097	1.8
688.48334	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	688.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	16.4
57.03440	13.1
57.07076	5.6
59.05006	3.0
60.08179	1.3
61.02919	4.0
64.15294	1.1
65.03942	2.5
67.05507	100.0
68.05865	1.3
69.03422	3.2
69.07072	15.5
70.95460	1.4
70.95801	2.6
71.04993	4.2
71.08641	2.1
73.02949	1.5
75.32418	1.1
75.52428	1.2
79.05508	12.2
79.05922	1.7
80.05872	1.5
81.03420	3.6
81.07057	45.0
83.04964	2.4
83.08624	14.4
85.02911	4.4
85.06535	3.3
85.10187	2.2
86.09704	7.8
89.06023	1.2
91.03954	1.8
91.05466	10.1
93.07055	16.1
95.04959	1.8
95.08613	33.4
95.44634	1.1
97.02867	2.0
97.06548	2.5
97.10174	4.4
97.25156	1.1
105.07019	6.8
106.14857	1.2
106.37486	1.1
107.08591	8.7
109.06533	1.4
109.10159	78.5
111.08099	4.0
111.11717	1.7
115.05524	1.2
119.08562	8.5
121.06552	1.2
121.10140	5.3
123.11697	4.3
124.99999	5.9
127.03871	1.6
129.05428	1.1
131.08539	1.5
133.10152	6.4
135.11693	2.0
137.09642	3.9
137.13263	2.5
145.10194	1.5
147.11714	2.8
155.10649	6.6
161.13268	1.8
173.11745	19.3
173.13168	1.5
175.14810	2.3
184.07352	23.0
227.12802	1.6
229.14357	92.6
230.14720	2.5
245.22688	3.0
263.23691	6.6
308.29456	1.5
337.27380	85.7
338.27808	2.4
468.37396	2.0
491.37329	83.9
492.37668	3.6
526.41760	2.2
571.48596	1.7
688.46057	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	688.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43265	2.4
53.03939	6.9
55.01879	4.1
55.05517	19.9
56.71260	2.2
57.03442	12.5
65.03934	3.2
67.05510	46.1
69.03444	5.0
69.07053	10.2
69.60952	15.3
71.04996	6.3
79.05073	3.9
79.05501	66.8
81.03416	59.7
81.07063	45.7
82.23331	2.1
83.04990	23.1
83.08630	19.2
85.02905	17.1
85.06542	4.9
91.02029	2.5
91.05486	61.4
93.07048	55.2
93.53995	2.2
95.04981	34.7
95.08616	22.3
97.02882	3.7
97.06516	5.5
97.10139	4.8
105.07040	41.9
107.04935	8.5
107.08601	15.3
109.06497	8.0
109.10177	6.7
111.04423	2.7
111.08078	8.8
117.07016	6.2
119.08597	25.0
121.10154	12.0
123.08058	3.4
129.07022	20.4
131.08554	14.7
133.06474	2.7
133.10146	17.3
143.08559	6.4
145.10121	6.9
147.08080	4.2
147.11687	37.8
149.09628	3.3
157.10101	8.9
161.13242	7.9
165.12721	3.7
171.11653	16.6
175.11205	12.4
187.11649	2.2
189.12766	8.2
193.12253	26.6
207.13824	25.1
211.13318	40.5
266.12918	2.5
267.15927	43.2
281.17480	61.9
285.16949	38.7
450.12094	2.6
473.29053	100.0
474.29236	5.3
491.30087	78.1
498.14230	3.0
532.51123	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	688.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.05032	0.7
57.07079	0.4
58.06622	0.5
60.08168	5.9
67.05508	0.4
69.07057	0.2
70.06576	0.2
71.07375	3.0
71.08637	0.3
71.16951	0.5
81.03420	0.4
81.07053	0.4
83.08622	0.2
86.09710	29.9
89.06033	0.5
93.07034	0.3
95.08649	0.2
98.98477	2.9
103.01784	0.2
104.10744	2.1
106.50600	0.2
125.00011	18.2
128.21890	0.2
133.08627	0.4
151.07538	0.3
152.30739	0.2
161.89043	0.2
184.07347	100.0
185.07790	0.6
260.19540	0.2
365.93069	0.2
391.04315	0.2
419.76941	0.2
688.45551	2.5
689.26617	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	688.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
55.01874	5.9
55.05265	0.9
55.05511	9.9
57.03442	7.7
57.07055	1.1
59.04996	1.4
61.02917	1.5
67.05509	13.8
69.03423	2.1
69.07069	4.8
69.18021	6.9
71.04981	3.0
73.02925	0.9
77.03893	0.7
79.05496	20.7
80.05838	0.8
81.03425	9.5
81.07058	18.1
82.15209	0.6
83.01358	5.0
83.04984	8.4
83.08623	7.7
83.09077	1.2
84.72343	0.7
85.02929	3.9
85.06538	0.7
86.09694	1.5
90.34530	0.7
91.05489	10.9
93.06487	1.4
93.07053	25.4
95.04985	6.4
95.08612	24.0
97.02898	4.3
97.06549	4.5
97.10169	1.2
99.04447	4.1
103.05471	1.2
105.07035	7.6
107.04964	8.8
107.08604	17.8
109.02860	1.2
109.06556	4.0
109.10165	3.3
111.04441	2.3
111.08060	2.0
117.07040	7.6
119.08596	8.6
121.06505	4.9
121.10154	10.5
123.08084	4.4
125.05993	3.0
125.09536	1.0
127.03896	0.8
129.06985	1.2
130.07803	1.2
131.08586	1.9
133.10129	2.8
135.08032	2.1
135.11697	30.0
135.12732	1.4
139.07558	1.7
143.08600	1.2
145.10135	22.2
146.10555	0.8
147.08046	1.5
153.12781	1.7
155.08575	0.7
163.11192	43.8
164.11501	1.0
172.54242	0.8
173.04437	0.8
173.09592	2.3
175.11171	0.9
181.12231	5.4
184.07321	2.2
191.10716	1.3
197.80353	0.7
209.11658	4.5
227.12805	38.5
267.15915	1.3
283.15417	100.0
284.15848	1.6
382.45703	0.8
491.26404	79.9
492.26700	2.5
599.33917	0.8
623.28357	0.8
716.29028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
53.14208	0.5
55.01638	0.4
55.01876	5.9
55.05511	12.2
57.03161	0.5
57.03438	8.5
57.07059	1.3
59.04999	2.2
61.02930	2.8
65.03957	0.6
67.05179	0.8
67.05508	10.3
68.05819	0.5
69.03414	2.2
69.07076	3.4
70.57185	1.2
70.57520	0.5
71.01357	0.8
71.05000	2.7
73.02901	1.1
77.03895	0.5
79.05496	16.0
81.03423	9.1
81.06591	0.7
81.07058	13.2
83.01341	7.5
83.04982	10.5
83.08155	0.7
83.08626	9.2
85.02910	6.5
85.06530	1.3
91.03980	1.1
91.05486	10.0
93.07045	19.6
95.04960	6.1
95.08603	5.4
97.02917	3.3
97.06535	3.2
97.10172	1.1
99.04447	2.0
103.05486	0.7
105.07039	7.3
105.98344	0.5
107.04966	6.6
107.08604	9.6
109.02845	0.6
109.06538	6.5
109.10136	1.8
111.04433	1.5
111.08117	1.1
117.07018	7.0
119.08582	6.7
121.06520	2.4
121.10140	5.8
123.08089	6.1
125.05997	1.7
125.09633	1.0
127.03933	1.1
129.07008	1.8
130.07758	1.4
131.08578	2.7
133.10133	2.1
135.08066	1.6
135.11687	8.3
137.09604	1.2
139.07573	0.4
140.10329	0.4
143.08563	1.1
145.06439	1.0
145.10123	12.0
147.08066	2.1
147.11739	1.1
149.09653	0.7
153.12737	1.8
155.08551	1.4
163.06021	0.5
163.11179	21.1
171.11684	0.6
173.09596	3.2
181.12265	3.1
191.10638	2.8
209.11732	6.8
218.98824	0.5
222.24734	0.6
227.12785	3.3
256.63925	0.6
262.12750	0.5
283.15405	100.0
284.15817	1.4
315.70496	0.5
348.20840	0.5
389.32703	0.5
491.26401	47.6
492.26743	1.5
551.30231	0.6
688.38873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.1
55.01864	8.7
55.05510	40.7
56.94778	3.5
57.03437	14.5
59.05006	31.0
65.03935	3.9
67.05507	100.0
69.03429	21.1
69.07069	14.6
71.04978	18.0
71.51598	5.2
72.08549	3.0
73.02905	3.8
79.05495	46.9
81.03422	98.4
81.07057	61.2
83.04988	26.5
83.08631	25.8
85.02908	23.2
85.06533	4.6
87.04478	21.6
87.83543	3.4
91.05483	39.6
93.07047	33.8
94.23329	2.9
95.04952	24.8
95.08582	17.6
97.02892	28.7
97.06527	10.8
97.10191	17.0
99.04462	20.0
101.04176	3.4
103.05486	3.2
105.07015	33.3
107.04974	13.6
107.08595	22.3
109.02901	20.0
109.06497	5.8
109.10156	55.5
111.04414	14.8
111.08084	12.0
113.06023	3.5
117.07022	9.9
119.08601	23.2
121.06510	8.8
121.10155	12.6
123.11705	5.0
125.09625	14.8
127.03922	18.6
129.06998	11.3
131.08565	16.3
133.10150	12.5
135.08054	3.7
135.11690	10.5
137.05986	4.2
137.09627	5.3
143.08597	3.2
145.10117	17.0
147.08026	4.2
147.11691	22.8
149.09613	11.3
153.12767	5.0
155.08572	4.4
155.10695	4.9
157.10092	9.2
159.11705	4.1
163.11197	14.6
165.12811	9.5
169.10143	4.5
173.09605	5.0
173.11783	13.2
175.11131	15.2
181.12267	5.5
183.35727	3.4
191.10638	8.9
193.12245	38.9
199.13123	3.8
201.07620	3.8
209.11810	4.9
211.13286	51.3
227.12880	17.2
229.14391	22.2
241.14255	3.5
267.15866	22.5
283.15421	10.4
285.16833	6.1
313.16666	3.4
411.19965	5.7
421.25708	3.8
439.26880	25.1
443.27740	7.0
457.19888	4.7
461.29114	8.7
475.26910	5.7
519.48669	3.9
581.65436	3.5
583.30878	11.0
600.31885	3.4
635.40436	3.8
687.36005	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	687.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54092	0.8
53.03953	2.3
55.01872	1.0
55.05507	3.5
57.03426	1.0
57.07063	0.8
57.46674	0.8
67.05510	8.1
69.03423	2.5
69.07072	3.0
71.04977	1.1
71.51112	0.7
73.48046	0.7
74.35653	0.7
79.05492	6.5
79.17599	0.8
81.03421	6.3
81.07051	7.8
83.04994	1.8
83.08611	2.6
85.02901	1.1
85.06570	0.8
85.65169	0.8
90.61719	0.7
91.05473	9.2
93.07044	5.9
95.01354	0.9
95.04963	2.4
95.08630	4.5
97.02883	2.0
97.06554	1.9
97.10155	1.3
105.07038	6.0
107.04964	2.3
107.08587	3.8
109.02868	0.8
109.10169	1.4
114.86914	0.7
117.07028	3.3
119.08594	3.1
121.10140	2.5
122.09745	0.7
127.03883	1.2
129.07034	1.4
131.08577	4.2
133.10144	2.7
135.08054	0.8
135.11687	1.3
141.06946	1.2
143.08553	1.4
144.08157	1.1
145.10150	2.1
146.09694	0.9
147.11658	1.4
149.09717	1.0
157.10110	1.3
159.08121	0.9
159.11716	2.0
159.18735	0.9
163.11169	1.1
166.08653	1.1
171.11690	0.8
172.07703	0.9
173.04529	1.4
185.13228	1.1
195.09149	1.3
197.10793	1.9
197.13339	0.9
207.09174	1.4
208.09772	1.3
209.10645	5.8
210.11519	2.8
211.08867	1.0
211.12300	3.0
213.06636	1.1
221.10649	1.0
222.11519	2.9
223.08656	2.4
223.12212	6.4
224.13072	4.6
225.13867	3.9
227.08084	1.8
232.09648	1.2
235.12366	1.4
236.13054	1.3
237.10188	2.7
237.13890	17.0
238.11023	1.0
238.14622	8.6
239.11716	1.0
239.15553	4.9
241.09804	2.0
249.14185	0.8
250.11075	1.5
251.11809	1.4
252.12712	0.9
253.13348	2.8
255.07497	1.2
255.11279	1.3
259.04004	0.9
265.10379	1.1
265.13327	9.7
266.14151	3.5
267.14911	3.8
269.09128	0.9
273.12225	1.3
275.20099	5.0
277.13452	0.9
285.12344	1.0
287.14212	1.4
288.15143	1.0
297.12418	2.5
299.10150	1.0
300.14932	0.9
301.15631	1.1
305.16833	0.8
306.12531	1.0
314.16461	1.6
315.13422	3.1
325.15521	7.3
326.16388	1.7
327.13916	0.9
327.16974	4.4
328.18057	1.6
336.14743	1.0
340.14328	1.0
343.12958	2.1
388.20294	1.7
399.15710	1.3
400.16394	2.2
401.21310	1.4
402.21918	2.2
404.23383	2.1
405.16864	1.9
409.19998	1.5
414.17938	1.5
417.16534	1.2
419.18890	1.8
430.21127	1.3
433.20590	1.8
435.18262	1.0
437.19821	1.6
451.21567	1.4
464.22406	0.8
481.22318	1.3
482.23315	1.5
490.23206	1.8
491.23776	2.4
493.21765	1.3
497.25305	2.8
506.23306	1.7
507.24319	3.7
508.21921	1.1
509.21988	1.0
510.22577	1.2
511.23547	0.9
521.25146	2.8
524.24280	2.1
525.25159	5.7
535.23669	1.5
539.26483	1.6
540.26953	1.2
543.37109	1.2
549.25854	1.8
550.23645	0.9
553.24109	1.6
563.23157	0.9
567.26208	3.6
568.26141	1.5
579.25830	1.8
585.26971	1.5
595.25714	4.7
608.22699	1.2
609.27106	15.2
610.26221	1.1
623.25256	5.3
625.26373	2.2
627.28186	32.9
628.28406	1.4
637.26514	5.8
655.27661	100.0
656.27924	3.8
669.38446	0.8
687.28912	2.6
687.40845	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	686.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.05265	1.1
55.05516	12.7
57.03442	12.4
57.07064	2.6
59.05001	3.3
61.02936	5.6
65.03927	2.3
67.05509	100.0
69.03423	1.5
69.07069	7.8
71.04980	3.4
71.22625	0.7
73.02936	1.1
73.60169	0.8
76.56279	0.9
79.05070	1.5
79.05499	19.7
81.06592	2.1
81.07063	37.7
83.04987	1.0
83.08618	7.5
85.02902	3.9
85.06540	3.5
91.03955	2.1
91.05486	14.0
93.07052	21.2
95.04993	1.8
95.08611	23.8
97.02879	1.7
97.06516	1.5
97.10176	2.5
99.08108	1.4
105.07050	5.5
107.08599	12.8
109.06539	0.9
109.10165	77.3
110.10479	1.1
111.08064	3.4
112.67452	0.9
117.07045	2.2
119.08593	10.1
121.10149	8.8
123.11723	2.7
125.09622	2.0
131.08606	5.0
133.10153	5.0
135.11726	6.4
137.09602	4.2
145.10117	3.9
147.11678	2.5
149.13274	3.9
155.10678	11.9
159.11697	2.4
161.13264	2.4
163.14825	2.4
173.11790	16.0
173.13258	3.2
173.92500	0.9
177.16391	1.0
187.14877	1.8
202.77814	0.9
227.12788	5.1
229.14362	85.6
230.14743	1.5
243.21077	5.8
261.22165	15.9
317.24817	2.1
335.25821	58.1
336.26108	2.0
363.98331	0.9
397.30823	0.9
404.03818	0.9
415.32227	1.3
471.34695	1.4
489.35773	32.3
490.35587	1.4
507.36771	2.5
561.96570	0.9
631.87073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.01880	0.9
55.05516	11.7
57.03439	11.3
57.07061	2.5
59.04995	3.5
61.02918	4.4
65.03929	3.6
67.05508	100.0
69.03425	1.2
69.07064	10.0
71.04983	3.1
73.02897	1.2
79.05496	20.7
81.03417	1.1
81.07058	41.7
83.04974	1.3
83.08622	9.2
85.02922	4.5
85.06529	5.4
87.99092	0.8
91.03951	1.6
91.05486	16.4
92.64456	0.9
93.07051	28.6
95.04972	1.2
95.08611	27.1
95.87424	1.0
97.02905	2.7
97.06535	1.8
97.10201	1.3
99.08114	1.2
105.07027	7.5
107.08604	15.1
109.06515	1.4
109.10162	77.6
110.10531	1.1
111.08084	3.3
117.07028	3.7
119.08595	10.4
121.10152	12.4
123.08110	1.0
123.11700	3.6
125.09665	1.3
129.07031	1.0
131.08571	6.0
133.10139	4.7
135.11684	7.8
137.09619	2.7
137.13249	1.5
143.08545	1.1
145.10114	4.1
147.11717	3.0
149.13272	5.1
155.10654	11.6
159.11708	3.4
161.13272	4.1
163.14828	3.3
173.11746	15.8
173.13258	4.2
175.14798	1.4
187.14883	1.9
189.11223	1.0
227.12851	3.5
229.14365	86.9
230.14597	1.3
243.21136	5.2
261.22150	20.7
264.08850	1.1
286.81284	1.1
317.24847	4.3
331.04434	0.9
335.25812	82.2
336.26230	2.2
379.30145	1.1
397.30881	1.7
420.87674	1.0
471.34854	1.2
489.35770	63.3
490.36047	2.8
507.36981	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	685.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62894	3.4
53.03932	12.6
55.01861	8.0
55.05515	43.4
57.03432	24.5
57.07085	49.3
67.05181	4.3
67.05513	54.6
69.03430	27.2
69.07058	14.2
69.19327	3.9
71.04986	10.3
71.08638	40.2
71.50998	6.1
73.02892	3.6
74.09703	9.9
79.05499	28.8
81.02941	5.4
81.03423	100.0
81.07066	63.1
83.04990	68.3
83.08626	32.6
83.09933	3.5
85.02912	22.7
85.06555	3.9
85.10181	23.9
90.28319	3.8
90.59880	4.0
91.05460	34.6
93.07071	23.6
94.15890	3.5
95.04991	26.1
95.08607	46.4
97.02915	24.7
97.06541	4.7
97.10154	10.0
99.04425	6.5
105.07046	32.0
107.04967	6.7
107.08597	18.0
109.02888	14.1
109.06494	5.3
109.10201	20.9
111.04440	26.5
111.08068	14.5
117.07050	4.1
119.08581	24.8
121.06477	4.2
121.10130	18.0
123.11686	7.3
124.42824	3.9
127.03938	12.2
129.05507	36.6
129.07010	12.6
131.08578	14.5
133.06528	6.9
133.10124	12.8
135.11671	9.3
145.10132	6.5
147.11707	20.3
149.09642	8.4
153.12724	4.3
157.10121	16.2
163.11171	15.8
165.12817	9.4
171.19769	3.5
175.11261	17.9
180.59978	3.3
181.12354	5.3
191.10643	5.4
193.12257	64.1
211.13309	84.7
227.12770	16.4
229.14285	17.2
239.23683	10.2
267.15887	16.3
283.15530	8.4
285.17096	20.2
313.27399	98.5
314.27969	5.2
355.17664	4.5
383.27997	4.3
429.20865	10.4
467.20508	9.8
488.21558	4.2
505.38550	4.8
523.39996	90.7
526.25720	4.9
536.24176	4.2
545.38416	7.4
554.25128	10.5
565.35364	4.0
575.23004	5.1
603.22363	10.7
621.23193	8.1
635.24463	8.5
653.25879	10.3
667.27130	8.5
667.44360	34.1
685.28778	91.4
685.44263	11.1
686.28992	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	686.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01876	3.0
55.05509	9.4
57.03444	4.7
59.49612	1.1
65.03947	2.0
67.05167	0.9
67.05505	24.4
69.03429	3.4
69.07074	8.1
71.04990	2.7
79.05501	35.5
81.03432	6.7
81.07060	25.8
83.04984	7.4
83.08618	7.0
85.02905	2.3
85.06546	1.6
91.03973	1.2
91.05479	23.5
92.05833	1.3
93.07050	36.8
94.07366	1.3
95.04973	9.9
95.08606	24.4
95.09173	1.6
97.02926	3.6
97.06541	3.5
97.10184	1.7
99.02168	1.1
99.04453	2.6
100.03734	1.0
105.04535	1.4
105.07037	20.0
107.04972	7.8
107.08594	18.2
109.02930	1.2
109.06532	3.6
109.10177	3.6
111.04470	1.0
111.08105	1.8
117.07024	6.4
119.08592	15.5
121.06508	3.8
121.10139	7.7
123.08049	2.5
125.05967	1.1
125.09749	1.1
129.07033	6.0
130.07828	1.6
131.08556	3.1
133.06503	1.3
133.10127	6.8
135.08067	1.5
135.11700	24.9
139.07553	1.2
140.03777	1.3
143.08565	4.6
145.06451	2.0
145.10121	18.1
147.11707	12.5
151.11136	1.7
159.11707	1.6
161.09705	1.8
161.13297	3.3
163.11185	34.4
169.10164	1.3
171.11757	8.0
181.12268	7.1
184.07301	1.8
189.12796	4.3
207.13797	6.5
227.12791	34.7
237.71533	1.1
267.16238	1.1
275.20001	1.3
281.14294	1.7
281.17493	60.7
283.15421	32.4
489.28503	100.0
490.28799	2.9
686.39343	3.5
687.40051	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73370	3.4
53.03941	7.9
55.01866	9.0
55.05513	37.9
57.03424	15.2
57.07076	46.5
60.29751	3.3
65.44530	3.0
67.05508	52.7
69.03426	16.4
69.07058	13.4
71.04982	7.9
71.08632	34.5
79.05495	23.5
81.03422	86.4
81.07053	38.8
83.04982	85.7
83.08619	28.6
85.02911	19.7
85.10177	13.9
91.05462	22.7
92.33599	4.1
93.07059	26.8
95.04977	17.8
95.08623	34.5
97.02898	15.0
97.10165	10.9
98.20720	7.7
99.04444	7.8
105.07052	20.0
107.04995	4.2
107.08609	9.5
109.02862	8.0
109.06532	5.2
109.10151	22.6
111.04434	29.8
111.08049	9.0
117.07014	5.3
119.08576	20.8
121.10172	11.0
123.11698	4.3
127.03883	3.5
129.05489	42.3
129.06998	9.2
131.08582	13.3
133.06491	4.7
133.10133	7.3
135.11678	4.7
137.13197	3.8
145.10158	8.5
147.11674	18.8
149.09633	6.4
153.12796	8.8
157.10129	11.1
163.11179	12.3
165.12756	7.0
175.11223	14.3
181.12254	8.3
191.10670	11.3
193.12248	33.6
211.13300	48.7
225.56314	3.9
227.12796	12.1
229.14293	15.7
239.23633	5.6
267.15897	18.6
283.15466	7.3
285.16907	14.6
313.27362	62.1
335.25644	4.4
337.16220	4.0
355.17679	6.8
390.18710	3.7
411.20007	3.7
429.21335	20.8
459.17764	6.8
505.38657	10.1
515.20508	10.0
517.22345	5.1
523.40045	87.7
530.19550	22.9
546.22595	4.6
589.23602	5.1
589.84375	3.6
593.23773	9.0
603.22333	6.7
617.23938	24.9
635.25012	100.0
636.24713	5.5
653.26044	4.6
667.43750	19.8
685.28998	6.8
685.41571	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	685.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94819	2.8
53.03947	17.6
53.19595	2.6
55.01873	24.0
55.05515	50.3
57.03425	13.6
57.07067	3.3
59.32932	2.6
65.03932	6.7
67.05508	91.0
69.03442	16.5
69.07069	33.7
70.56934	4.7
71.01345	3.3
71.04979	9.9
79.05499	95.3
79.05962	4.5
81.02993	4.0
81.03426	60.9
81.07058	100.0
83.04987	18.8
83.08619	21.3
85.02882	13.4
91.05481	88.7
93.06487	5.3
93.07049	77.7
94.06384	3.0
95.01317	4.7
95.04974	72.9
95.08603	52.1
97.02888	10.3
97.06517	9.8
97.10170	19.1
98.20905	2.8
99.04450	4.6
103.05470	9.4
105.04577	4.1
105.07037	73.4
107.04960	27.0
107.08606	42.8
109.02887	15.6
109.06515	22.1
109.10165	25.8
111.04440	9.8
111.08066	7.8
113.06037	3.3
115.05444	13.1
116.06229	3.1
117.06339	3.3
117.07038	35.4
119.04935	10.6
119.08582	51.1
121.02870	7.8
121.06510	21.4
121.10139	24.0
123.04410	11.0
123.08067	10.8
123.11700	6.5
125.02288	2.8
125.09636	15.8
127.03893	4.4
128.06194	12.6
129.05507	3.1
129.07011	31.9
130.07845	2.9
131.04932	20.2
131.08565	42.5
133.06509	14.4
133.10150	29.0
135.04437	3.8
135.08044	14.4
135.11687	9.6
137.02246	3.5
137.05940	8.7
137.09602	9.1
141.06989	10.8
141.19090	3.2
142.07733	7.0
143.08575	24.2
145.06465	18.2
145.10118	35.1
147.04343	16.3
147.08043	10.5
147.11699	21.8
149.05978	9.2
149.09589	13.0
149.13232	6.8
151.11176	5.1
154.07776	4.1
155.08562	14.1
157.06468	9.2
157.10123	19.6
159.08044	14.2
159.11710	18.2
161.05988	12.0
161.09608	10.6
161.13263	9.3
163.07506	3.5
163.11162	18.5
165.06985	5.5
165.09114	3.8
165.12737	3.9
167.08545	12.1
169.06425	6.4
169.10101	15.1
171.08055	13.7
171.11687	11.2
173.05997	25.3
173.09596	11.9
173.13235	9.1
174.06769	7.8
175.07553	4.7
175.11151	7.8
177.05458	4.1
177.12714	4.5
178.07745	3.3
179.08528	5.0
181.06491	4.5
181.10120	11.3
183.08040	8.1
183.11679	9.7
185.09654	9.3
185.13222	10.8
187.07492	15.4
187.11105	6.6
189.05482	17.9
189.09082	3.6
189.11147	7.2
189.12749	5.9
191.07039	3.5
193.10237	6.5
193.12270	11.7
195.08099	3.6
195.11674	10.2
197.09602	8.1
197.11424	2.8
197.13284	6.7
198.10400	3.5
199.07549	3.9
199.11188	6.4
201.05466	3.8
201.09203	3.1
201.12717	4.6
203.08638	4.1
203.10614	5.6
205.12186	3.5
207.11772	5.0
208.08824	3.9
209.13409	7.0
211.11292	4.8
211.13219	5.6
213.09315	4.1
213.12720	5.6
215.10730	3.1
217.15837	4.2
219.11739	3.7
221.13312	3.5
223.11279	5.4
225.09161	4.1
225.12634	3.7
227.12700	7.6
235.13240	3.7
237.12720	5.8
239.10762	2.9
239.17883	4.6
247.20659	3.6
249.12718	4.4
255.13762	7.4
257.15643	4.0
257.19101	7.7
259.13400	4.5
267.15909	5.4
271.13083	4.4
273.14874	30.4
273.18216	4.3
275.20059	33.5
283.13248	8.5
285.14725	4.3
289.14322	3.9
301.14331	47.0
303.16010	5.9
313.21533	3.5
319.15372	12.9
319.59607	3.1
349.23779	12.0
375.17929	13.0
383.22263	3.5
393.19022	7.2
393.96518	3.9
457.25757	3.3
509.31149	3.1
545.19434	3.2
581.35443	4.0
587.31677	4.3
593.34711	5.4
631.35968	4.6
639.39056	5.3
649.37549	24.1
667.38422	59.3
668.38977	4.3
685.39563	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4489
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
53.03932	0.6
55.05510	2.7
57.03436	0.6
57.07072	3.4
67.05504	6.1
69.03416	1.1
69.07070	2.8
71.04991	3.6
71.08624	2.9
79.05498	3.9
81.03432	3.9
81.07055	8.1
83.04987	1.2
83.08617	1.7
85.02895	0.6
85.06538	0.9
85.10184	1.3
91.05463	3.7
93.07048	3.5
95.04970	1.5
95.08618	4.1
97.02889	1.2
97.06530	0.7
97.10197	1.0
98.20789	1.0
99.08137	0.7
105.07015	2.4
107.04971	0.7
107.08600	2.1
109.02906	0.5
109.06480	0.6
109.10146	2.6
117.07015	0.8
119.08601	1.5
121.10153	1.4
123.11712	1.0
131.08569	1.2
133.10146	1.8
135.11723	1.1
137.06001	0.5
145.10127	0.9
147.11682	0.5
149.13284	0.8
151.11180	1.2
157.10065	0.6
158.54819	0.4
159.11755	1.4
169.12416	0.4
173.04520	0.8
177.12688	0.7
179.14365	1.0
181.12314	0.4
183.13777	0.5
187.13290	0.9
239.23682	0.7
313.27469	0.8
317.20868	6.3
327.29037	0.9
333.20267	3.3
371.57672	0.4
373.23563	2.9
389.22968	4.6
495.40579	0.9
539.43115	0.7
683.45007	100.0
684.45367	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	682.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51065	1.5
53.03937	6.8
54.52275	1.6
55.01862	4.0
55.05514	30.6
57.03429	14.6
57.07073	9.2
65.03944	6.0
65.33695	1.5
67.05506	100.0
68.05818	2.2
69.03425	3.8
69.07069	36.1
71.04977	10.4
71.08633	40.3
71.51759	3.3
79.05495	52.2
79.70768	1.7
81.03433	8.5
81.07056	96.6
83.05006	11.2
83.05389	2.1
83.08619	19.9
85.02951	2.0
85.06547	6.6
85.10175	13.0
91.05480	41.0
91.06023	3.0
93.06480	3.7
93.07047	59.5
95.04971	12.1
95.08611	84.5
95.86773	1.7
96.08883	1.8
97.06532	13.4
97.10162	10.6
99.08096	34.3
105.04488	2.4
105.07028	36.4
106.07383	2.5
107.08591	29.5
109.06508	6.1
109.10155	23.7
111.08071	3.8
111.11742	2.7
112.19099	1.9
113.09657	19.0
117.07018	8.4
119.08607	25.9
121.06512	2.9
121.10141	36.5
121.10936	3.3
123.08092	8.2
123.11714	10.1
125.09634	6.4
127.11195	3.1
129.06963	5.0
131.08589	18.7
133.10129	19.5
135.08066	3.2
135.11696	15.8
137.09628	4.0
137.13245	6.0
139.11209	10.2
141.12753	5.9
143.08554	4.0
145.10136	16.5
147.11679	26.6
149.09624	7.3
149.13248	10.6
151.07568	3.8
151.11151	8.6
153.12808	2.7
155.10724	2.9
157.10136	7.9
159.11719	10.7
161.13277	11.6
163.11131	8.8
163.14842	9.2
165.12762	15.8
167.10670	2.1
167.14340	3.3
169.12198	3.4
171.11729	5.4
173.11842	3.7
173.13271	8.5
175.14816	5.0
177.12776	3.6
177.16333	2.7
179.14362	9.2
181.12048	2.5
181.15860	3.1
183.13779	4.4
185.13231	2.6
187.14938	2.3
189.11206	5.1
189.12756	2.3
191.14317	3.3
203.12692	2.9
203.14458	2.3
213.14879	4.7
221.15457	3.0
229.14424	3.5
239.16438	7.8
241.14331	5.1
241.19533	3.0
243.21024	8.8
244.00995	1.9
253.18039	4.5
259.15494	7.1
259.20639	8.5
261.22113	8.4
267.15942	4.5
275.20148	3.4
277.21637	37.0
279.23178	16.6
292.95859	1.8
295.22702	22.2
333.24271	2.1
335.25903	7.6
351.25375	13.1
353.26935	19.4
369.26492	7.7
375.71432	1.9
397.34674	2.1
492.35056	2.1
504.34601	1.9
505.36136	2.3
517.38739	2.4
682.49835	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	684.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	6.8
55.01868	3.0
55.05270	1.2
55.05515	13.3
57.03430	4.6
57.07077	1.5
65.03943	1.6
67.05510	33.9
69.03461	1.1
69.07080	9.9
69.44743	6.2
69.45141	1.7
71.08623	3.3
74.15163	1.3
77.03973	1.2
79.05497	57.3
81.03419	14.3
81.07066	33.3
83.04987	10.1
83.08631	7.5
85.02917	1.2
85.06541	2.1
91.05482	45.3
91.39423	1.2
92.05814	1.1
93.07051	57.0
95.04983	19.5
95.08611	21.9
97.02943	1.9
97.06540	3.3
97.10178	3.1
98.21549	2.1
99.08068	1.7
103.05468	1.3
105.04543	2.7
105.07040	29.2
107.04962	5.5
107.08598	15.3
109.06525	4.0
109.10169	4.0
111.08080	2.0
117.07043	5.6
119.07804	1.6
119.08591	19.4
121.06490	1.3
121.10113	5.2
123.08075	5.3
124.38080	1.0
127.07554	1.2
128.06262	2.0
129.07019	13.0
131.05017	1.0
131.08566	3.3
132.88911	1.1
133.10135	7.9
135.11697	4.7
142.07776	1.1
143.08551	7.1
145.10123	8.4
147.08102	2.0
147.11700	27.7
149.13249	1.2
151.11180	1.6
156.09393	1.2
157.10217	1.5
159.11702	1.2
161.09669	2.2
161.13251	9.5
163.11249	2.6
165.07770	1.0
171.11705	17.3
179.14325	5.8
189.12746	7.5
193.12268	1.3
207.13799	23.9
222.47974	1.0
225.14882	2.1
227.12843	2.3
236.16614	1.1
263.16473	2.6
277.21667	3.4
281.17484	54.6
282.17786	1.3
394.43875	1.0
461.28931	1.7
469.29367	3.4
487.30588	100.0
488.30707	4.4
504.05084	1.1
543.36884	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	682.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.2
55.01853	5.7
55.05512	28.3
57.03426	16.5
57.07076	25.3
59.37416	5.0
65.03938	6.2
67.05505	86.7
69.03453	7.1
69.07076	34.0
71.08621	13.0
79.05499	65.9
81.03410	22.5
81.07065	91.4
82.07384	7.6
83.04973	17.5
83.08616	15.6
91.05481	66.6
92.05816	6.3
93.07045	91.1
95.04960	16.9
95.08616	69.7
97.06547	11.1
97.10190	14.8
105.07029	38.4
106.07376	5.5
107.08630	31.0
109.06485	11.6
109.10178	31.9
117.07027	24.0
119.08601	37.2
120.08895	7.3
121.06503	5.3
121.10154	35.2
123.08060	12.9
123.11736	12.6
126.37031	5.9
129.06963	17.9
131.08583	38.4
133.10121	23.0
135.08093	5.8
135.11708	17.6
143.08559	17.5
145.10165	28.0
147.11674	13.2
149.13252	8.9
151.07445	5.3
155.08612	6.4
157.10115	18.2
159.11642	21.5
161.13303	11.6
163.14873	6.5
169.10066	6.5
171.11705	14.3
172.12039	7.1
173.13182	8.7
185.13191	6.7
187.14873	6.8
195.11699	8.7
195.13826	5.4
199.14835	5.4
207.13908	7.1
211.14894	6.3
221.15364	11.3
222.15762	7.3
261.22092	6.4
269.17456	10.7
270.15686	6.2
313.27341	17.4
314.27649	13.1
335.26016	25.4
435.32281	7.6
437.33878	5.9
445.20270	8.5
473.19855	10.7
515.37213	13.5
520.40686	10.1
529.39136	57.8
533.21527	9.2
560.23859	15.4
591.25946	15.2
611.46558	20.2
620.26166	10.6
621.26538	7.1
629.47430	9.5
651.28162	100.0
682.48425	23.1
683.45135	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	683.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.7
53.03947	9.9
55.01865	9.9
55.05315	1.5
55.05517	16.9
57.03440	9.9
57.07078	37.5
67.05180	3.0
67.05511	33.5
69.03426	16.5
69.07080	12.6
69.50510	10.7
71.04996	10.5
71.08635	24.5
79.05493	16.5
81.03423	100.0
81.07059	28.5
82.43224	1.6
83.04987	28.0
83.08212	1.9
83.08633	17.2
85.02897	5.1
85.06572	1.8
85.10179	14.1
87.04478	1.6
91.05461	11.1
93.06492	1.9
93.07043	27.9
93.07569	2.6
95.04976	4.6
95.08052	2.8
95.08611	27.7
97.02903	29.6
97.06517	6.1
97.10161	6.5
99.04481	10.6
100.33624	1.6
101.02354	2.1
105.07031	6.1
107.04963	4.7
107.08588	16.7
107.66628	1.4
109.02888	32.7
109.06504	2.2
109.10165	17.4
111.04451	31.4
111.08108	8.8
113.06042	1.5
117.07011	4.4
118.09707	1.5
119.08611	8.0
121.06428	2.3
121.10127	13.2
123.08035	2.2
123.11710	4.9
125.05938	2.4
127.03920	26.0
131.08557	5.8
133.10178	2.5
135.08049	3.4
135.11696	18.1
137.05994	1.9
137.09557	1.9
143.08510	2.2
145.10144	11.2
147.08078	2.0
147.11700	2.7
149.09641	3.1
153.12764	21.1
155.08586	2.6
159.11694	1.8
163.11192	27.6
171.11754	1.7
173.09637	5.9
181.12238	24.6
183.06592	2.1
189.11189	2.2
191.10707	26.5
194.88614	1.7
209.11774	13.8
227.10580	3.3
227.12782	48.1
239.23721	7.9
248.13110	1.5
259.20605	1.9
283.15366	27.1
301.16318	2.0
313.27383	65.9
317.13766	2.8
335.14755	2.4
340.62747	1.7
341.26730	4.2
353.15979	16.6
409.18469	3.9
421.29935	1.6
427.19641	22.1
521.38873	9.4
539.39417	9.8
665.42487	18.5
683.44073	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	681.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97901	0.6
53.03951	1.0
55.01877	1.5
55.05502	3.3
57.03443	2.7
61.02931	2.9
67.05511	9.1
67.21972	0.8
69.03420	3.2
69.07071	1.7
71.04991	1.7
73.02939	3.5
79.05505	4.8
81.03420	5.9
81.07064	7.1
83.04995	1.9
83.08629	2.1
85.02915	6.6
89.59181	0.7
91.03972	2.9
91.05476	4.5
93.07035	4.8
95.04987	2.5
95.08607	2.1
97.02909	4.1
97.06576	1.0
99.04539	1.0
101.02391	2.0
105.07023	3.2
107.04985	1.4
107.08595	3.4
109.06557	1.4
109.10172	2.4
111.04493	0.8
113.05982	0.7
117.07045	0.9
119.08607	2.1
121.06541	0.8
121.10158	2.2
123.08076	1.2
127.03931	1.5
127.47684	0.7
128.31233	0.7
129.07019	1.5
131.08604	2.2
133.10144	2.5
135.08035	1.1
143.08632	0.8
145.10181	0.9
147.08160	0.8
147.11694	1.2
149.09706	1.5
149.13303	1.6
157.10173	2.1
159.11754	1.2
175.11218	1.2
181.12321	1.2
184.07404	1.1
193.12335	2.0
195.14052	0.7
204.07829	0.8
235.13136	1.0
243.08524	2.3
276.16550	0.7
397.20334	0.8
453.21091	5.3
469.20532	6.6
486.36258	0.7
681.34631	100.0
682.34534	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	681.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81026	0.8
53.73986	1.0
56.96552	1.5
61.02928	1.0
65.74334	1.0
68.77046	0.9
69.03426	4.2
70.38104	0.8
70.99862	0.9
71.50499	1.4
73.02918	0.9
78.40017	0.8
79.01849	1.7
81.03402	2.2
82.99879	2.2
85.02901	7.5
97.02886	5.9
98.97595	5.1
101.00877	14.8
109.02883	2.2
110.97562	1.2
112.05637	1.0
113.00868	4.7
116.98694	1.7
119.01934	19.0
119.04979	0.9
127.02400	4.8
127.03876	5.0
128.98582	1.5
129.48517	0.9
131.01918	10.7
133.03474	1.4
139.02426	2.5
143.00172	1.2
143.01900	23.8
145.03467	13.8
145.04947	2.5
147.01347	1.2
153.01839	22.9
153.03003	2.0
153.03944	1.2
154.02194	3.8
154.96040	0.9
155.01898	21.4
157.03496	7.3
158.99657	2.7
161.02948	17.6
167.01917	14.7
168.02432	1.0
169.03470	5.3
170.99672	2.0
171.05057	4.0
173.02969	21.7
175.04536	1.4
177.00537	1.3
179.01868	8.2
181.03409	1.4
182.99748	1.7
183.01314	1.0
183.05042	2.2
185.02959	41.1
186.03122	1.9
187.04572	6.2
189.00720	1.6
191.03769	1.0
195.01392	1.9
197.02959	21.2
199.04559	2.0
200.04427	1.4
201.00703	2.7
201.06183	1.0
203.04034	11.3
203.05798	1.7
209.03008	4.4
211.04521	2.1
213.02432	14.4
215.03998	9.3
219.01785	3.1
219.05061	1.2
221.02975	2.1
221.05090	5.0
223.00916	2.4
223.04631	1.9
227.03999	11.0
231.01500	2.6
231.03436	2.2
233.02928	1.8
233.05025	1.2
235.04485	3.0
237.02408	13.7
237.06108	1.5
239.03989	3.0
243.01733	1.8
244.99887	2.4
245.05077	100.0
246.05257	4.0
247.04587	3.3
249.02461	13.5
249.06322	1.8
251.04016	2.9
255.03506	17.9
257.05127	7.1
261.02615	7.0
263.03717	8.8
263.06448	8.4
264.07690	1.4
265.01886	2.1
265.05420	1.3
267.03494	7.6
269.05161	2.2
273.02469	2.9
273.08157	4.1
275.06171	14.9
279.03561	10.8
281.04874	10.2
283.03046	1.8
285.04688	1.2
287.00900	1.1
287.06244	2.3
291.03458	6.1
293.07260	4.3
297.04541	8.2
299.06284	0.9
303.03809	1.4
305.07208	12.6
309.04706	2.4
321.04562	12.6
321.10321	1.8
335.08286	3.8
337.09695	1.6
339.05615	91.4
339.09271	5.0
340.05984	2.5
340.10159	1.5
357.06644	59.2
358.07111	1.6
362.06506	1.1
362.10196	1.4
365.09280	8.2
375.07898	1.7
380.08307	2.9
393.08728	6.8
399.07611	26.8
399.12036	1.8
400.07697	1.0
411.07751	7.4
417.08795	55.1
435.09937	8.7
440.10495	2.9
441.09250	1.8
447.09787	3.5
459.09781	4.2
471.10110	1.0
489.11121	1.3
501.10913	18.1
519.11951	9.1
551.08929	1.3
681.16925	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	681.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01966	2.4
56.96557	8.4
57.53189	2.4
64.95800	2.1
67.85709	2.2
69.03412	4.0
71.50260	2.9
74.73373	2.2
81.03380	4.3
84.96061	3.3
85.02902	4.6
97.02896	7.9
98.97578	44.4
101.00890	15.1
109.02905	2.7
110.97586	15.5
113.00870	3.2
116.98624	11.5
119.01945	22.1
127.02424	4.4
127.03944	5.7
128.98582	13.1
131.00133	2.5
131.01933	6.8
136.06171	6.6
137.00897	2.3
139.02415	3.7
140.98608	3.4
143.00157	7.6
143.01926	23.1
145.03458	13.5
146.99690	2.9
147.04372	5.0
152.98622	3.3
153.01802	18.3
155.01918	26.2
157.03479	7.6
158.99655	15.9
161.01244	3.5
161.02985	16.1
167.01952	8.9
169.03474	5.4
170.99684	14.6
171.05002	2.7
173.02962	22.1
177.00729	7.8
179.01923	4.6
182.99719	5.4
185.02945	44.1
187.04578	6.7
189.00749	11.6
194.99675	6.0
197.02946	26.7
201.00688	14.8
203.03954	8.2
209.02965	3.5
213.00708	5.4
213.02473	12.4
215.03981	9.3
219.01740	24.1
221.05093	6.4
223.00945	3.2
223.04465	4.3
227.04033	7.9
231.01535	3.5
237.02663	24.9
239.04025	3.3
243.01678	7.5
245.05092	100.0
249.02419	12.5
255.03671	19.7
257.05099	8.5
261.02750	28.1
263.03943	7.5
263.06204	9.5
267.03494	10.4
273.03036	3.1
275.06107	12.0
279.03793	23.0
281.05075	9.1
291.03494	6.9
293.07245	4.3
297.04663	7.9
305.07104	11.6
308.08447	2.6
321.04993	14.0
325.43817	2.7
333.05188	2.6
339.05655	86.1
340.06094	2.4
349.08020	2.6
357.06689	52.9
365.09323	3.9
375.07455	3.2
393.02670	2.5
393.08557	7.3
399.07785	25.1
411.07761	8.1
415.09537	2.8
417.04459	21.4
417.09314	47.9
435.09973	8.2
447.09531	5.6
459.09821	5.8
466.59613	2.8
489.11191	3.0
501.10959	21.1
519.11615	11.9
681.16827	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	680.51
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
54.93427	1.7
55.01885	3.9
55.05513	32.4
57.03447	13.3
57.07075	7.5
65.03944	4.4
67.05511	86.0
68.42834	1.5
69.03442	2.8
69.07072	34.0
70.08074	1.5
71.05009	11.1
71.08642	25.1
79.05499	62.9
81.03411	4.6
81.07064	100.0
83.05000	7.8
83.08623	15.9
85.06557	4.2
85.10188	3.3
91.05491	52.3
93.07050	63.6
93.60502	1.4
95.04987	13.7
95.08611	68.6
95.62317	1.8
97.06530	18.6
97.10178	6.5
99.08101	24.3
105.04528	3.8
105.07041	43.1
107.04977	5.3
107.08603	34.7
109.06530	25.8
109.10162	23.4
111.08100	5.0
113.06010	2.7
113.09647	3.0
115.05475	3.1
115.07591	4.7
117.07047	16.0
119.08588	30.2
121.06526	4.2
121.10152	25.4
123.08109	13.8
123.11740	8.5
125.09630	2.2
127.11213	1.9
128.06198	1.5
129.06995	9.8
131.08582	25.8
133.06505	2.6
133.10121	23.2
135.08051	5.5
135.11710	15.1
137.09631	7.4
137.13277	5.6
139.11172	3.3
143.08582	4.9
145.10120	22.6
147.08076	2.0
147.11696	24.3
149.09662	9.1
149.13264	10.1
151.11185	5.1
152.95851	1.5
153.12776	2.7
155.08492	3.3
157.10199	4.6
159.11684	14.7
161.09641	1.7
161.13243	14.1
163.11194	9.4
163.14835	7.2
165.12819	9.9
167.14282	1.8
169.10165	4.1
171.11722	8.1
173.13226	10.7
175.11072	1.7
175.14909	2.6
177.12746	2.5
177.16335	2.0
179.14307	3.3
181.15923	3.5
185.13297	6.8
187.14850	5.3
189.12762	5.3
201.16368	3.1
203.14375	2.2
207.13884	5.3
219.17484	2.7
223.16898	3.1
229.14207	2.2
229.19511	3.7
229.62549	2.0
239.18071	2.4
243.21164	8.3
250.52132	2.0
253.14299	2.7
253.18040	9.0
257.19077	5.9
259.20633	2.9
261.22244	10.5
273.18729	1.9
275.20090	23.6
277.21619	3.1
279.23233	18.7
281.17346	7.8
293.21188	7.6
299.18518	5.5
307.19046	3.0
331.22797	3.0
335.25735	14.9
349.23721	9.2
353.26938	15.6
367.24875	6.8
577.41840	1.9
627.45984	5.1
631.16095	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	680.5092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
55.01861	5.7
55.05514	30.5
57.03196	2.6
57.03440	19.9
57.07072	5.2
59.04997	2.6
63.98974	2.0
65.03939	3.9
67.05508	92.5
69.03423	3.3
69.07069	30.6
71.05009	12.0
71.08632	23.2
79.05497	54.9
81.03403	5.1
81.06601	5.0
81.07064	100.0
83.04964	9.6
83.08629	16.4
85.06541	2.6
85.10181	2.4
91.05488	51.5
93.06483	4.0
93.07051	68.9
95.04987	9.7
95.08610	63.1
97.06529	13.1
97.10186	11.7
99.08100	22.5
105.04504	3.2
105.07037	51.0
107.04973	3.0
107.08598	44.6
109.06517	8.5
109.10169	34.4
111.08099	10.5
113.09660	4.3
115.05455	3.8
116.06202	1.9
117.07022	18.9
119.08595	36.4
121.06512	3.0
121.10150	29.4
123.08047	6.4
123.11703	6.6
125.09629	8.4
128.06145	4.0
129.06992	6.0
131.08585	27.5
133.10146	21.9
135.08035	4.7
135.11752	13.7
137.09619	4.7
137.13211	5.1
139.11177	10.6
142.07759	2.3
143.08562	7.4
144.09383	4.3
145.10126	18.4
147.08061	3.8
147.11676	27.4
149.09616	8.4
149.13275	7.2
151.11116	5.7
153.12808	2.5
155.08528	4.7
157.10106	6.3
159.11691	13.3
159.25647	2.2
161.13266	9.5
163.11208	10.4
163.14859	7.8
165.12772	7.7
167.10614	2.7
167.14386	2.4
169.10164	5.2
171.10249	2.1
171.11690	6.2
173.13286	8.9
175.11145	3.7
175.14822	2.7
177.12778	2.5
177.16319	2.9
183.11691	4.0
184.07341	3.4
185.13268	9.5
187.11061	2.8
187.13304	2.3
187.14842	8.1
189.11215	4.7
189.12732	3.5
195.76523	2.4
197.13326	3.7
201.16313	4.6
203.12775	5.2
203.14435	4.6
205.15813	3.5
209.13234	2.3
211.14719	2.1
213.14859	6.4
219.17497	3.3
221.15334	7.7
227.12842	5.1
229.14297	7.1
239.18059	3.2
241.14363	3.8
243.21024	7.7
253.17917	4.8
257.19022	6.6
261.22162	8.9
275.20062	34.3
279.23141	17.1
293.21289	10.6
335.25806	10.2
337.27271	2.7
349.23755	6.1
353.26788	17.6
367.24783	4.1
438.30914	3.1
484.28708	2.1
491.36050	2.8
547.39716	2.3
583.41248	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	680.509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.4
55.01880	6.7
55.05515	36.9
57.03429	13.2
57.07063	19.1
63.65975	5.8
65.82098	5.6
67.05506	97.5
67.75429	5.6
68.71230	6.6
69.03407	7.6
69.07066	35.2
71.04989	8.3
71.08618	13.4
71.51472	5.7
79.05493	65.7
79.17411	7.2
81.03407	8.4
81.07057	100.0
83.04987	11.2
83.08614	20.5
85.06563	8.6
85.10193	7.2
86.09710	24.9
91.05486	66.3
93.07041	84.3
94.07392	6.2
95.04957	11.8
95.08601	67.3
97.06528	10.0
97.10155	12.1
99.08084	9.1
105.07027	45.1
106.07970	6.1
107.08593	47.2
109.06503	14.3
109.10149	34.8
111.08072	9.9
117.07008	23.0
119.08582	44.1
121.06481	14.8
121.10155	35.1
123.11677	8.0
125.00034	11.2
125.09662	13.2
129.06979	13.2
131.08563	29.2
133.10152	33.0
135.11661	18.0
137.09608	6.7
141.07018	9.9
143.08551	13.7
145.10146	30.6
147.11702	23.7
149.13234	10.8
151.11176	7.6
157.10123	19.3
159.11694	16.7
161.13231	8.1
163.14886	7.9
171.11642	12.4
173.13187	14.0
183.11685	7.3
184.07320	46.7
185.13260	8.9
194.11267	6.2
206.66687	6.4
255.15837	10.1
259.20392	8.0
261.22183	6.5
269.17273	12.6
275.19983	7.6
335.25793	48.7
337.02597	9.9
349.23767	8.3
367.24698	9.1
489.35110	7.3
515.37506	13.8
527.37335	18.6
529.38721	29.2
609.45062	15.6
627.45966	15.1
672.50421	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	680.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.8
53.11826	2.8
55.01871	7.8
55.05315	2.9
55.05518	30.2
57.03438	9.4
57.07068	7.3
65.03971	7.2
66.04282	2.5
67.05510	91.0
68.05826	2.8
69.03412	4.6
69.07074	28.4
70.76167	8.1
71.04973	7.5
71.08636	46.0
79.05497	67.0
81.03409	8.3
81.06593	6.0
81.07064	100.0
83.04982	14.5
83.08610	17.5
85.06535	5.8
91.04913	3.4
91.05485	63.4
93.07050	79.0
94.07352	4.6
95.04983	17.9
95.08614	62.8
97.06529	12.2
97.10165	7.9
99.08103	34.0
101.96644	3.1
105.04522	3.9
105.07035	50.4
106.07372	2.8
107.04927	10.1
107.08606	55.0
108.08950	3.0
109.06507	11.8
109.10168	23.4
111.08090	6.6
113.09636	5.2
117.07059	14.4
119.07807	4.9
119.08584	43.5
121.06537	4.1
121.10144	32.1
123.08082	7.7
123.11705	4.7
125.09627	5.0
129.07005	6.3
131.08580	19.2
133.10155	33.4
135.08057	6.8
135.11719	39.6
137.09607	7.6
142.07736	2.9
143.08549	11.8
144.09305	2.9
145.10147	20.5
147.11688	22.1
149.09648	4.2
149.13261	17.7
151.11191	19.1
153.12726	2.7
155.08542	3.9
157.10123	12.7
159.11720	16.2
161.09621	4.0
161.13313	13.1
163.11201	10.3
165.09172	8.5
167.10625	4.5
169.10056	4.1
171.11696	6.7
173.13231	8.0
175.14825	5.3
179.14328	82.4
183.11726	4.9
184.07353	6.5
185.13284	8.1
187.14890	3.5
189.12778	3.3
189.16298	4.4
195.13812	5.4
197.13266	5.6
203.14333	4.4
209.13269	5.2
211.14743	3.2
221.15388	14.2
235.16936	3.1
241.19493	4.1
259.20560	7.9
269.17471	15.6
275.20038	5.3
277.21625	61.2
279.18164	2.9
293.21213	6.2
295.22791	5.2
335.25381	3.3
351.25351	43.8
351.79828	2.8
352.11023	2.7
352.24298	2.8
353.26620	3.0
449.33173	4.0
491.34924	10.4
504.35748	5.6
545.38379	75.6
545.63013	2.9
557.08057	2.8
583.41663	13.2
594.63690	3.2
627.46033	26.5
680.51129	3.4
681.42798	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	678.37
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77622	1.1
52.89930	1.0
53.03949	2.0
55.01867	4.7
55.05521	9.2
57.03432	5.5
60.08169	1.2
61.02918	3.1
66.13139	1.0
67.05509	32.2
69.03426	3.9
69.07072	6.7
71.04991	4.0
71.07367	2.0
71.51200	1.0
71.51579	1.8
73.02909	1.5
79.05508	17.8
81.03426	25.9
81.07067	29.5
83.04992	9.7
83.08625	11.4
85.02910	11.0
85.06549	2.8
86.09716	14.8
91.03983	1.1
91.05490	33.3
93.07052	15.3
93.30087	1.1
95.04990	12.4
95.08637	6.7
97.02902	2.7
97.06535	3.5
97.10145	1.7
99.04473	1.9
99.54432	1.0
104.15442	1.1
105.07040	24.8
107.04972	3.3
107.08604	20.3
109.06509	5.3
109.10165	32.4
111.04512	1.3
111.08089	4.2
113.06017	1.5
117.07015	1.7
119.07851	1.4
119.08590	9.0
121.06580	1.3
121.10155	3.5
123.08083	1.7
123.11711	4.2
125.00041	10.0
125.09656	1.1
127.07542	2.5
129.07011	4.2
131.08609	5.4
133.10141	48.2
135.08101	1.5
139.89017	1.1
147.08040	2.0
147.11664	3.7
149.09660	3.0
151.11188	21.9
157.10127	6.3
163.11148	1.2
169.12228	4.2
175.11205	5.3
184.07358	44.3
188.22943	1.1
190.10614	1.3
193.12263	19.0
199.54057	1.1
211.13304	36.2
215.12840	2.4
219.14183	0.9
253.14371	100.0
254.14729	1.8
254.27231	1.1
267.15997	7.4
271.15421	24.4
285.16962	25.2
409.70105	1.3
445.26053	5.6
460.17175	1.6
463.26898	17.8
481.28009	55.3
503.18338	1.7
516.15918	2.0
635.22150	3.1
636.24030	1.5
678.25043	13.9
678.35675	2.6
679.32941	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	678.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54667	2.4
55.01862	5.6
55.05512	11.2
57.03424	4.7
57.07067	4.1
60.08166	7.9
60.11513	2.2
60.70099	2.3
63.15588	2.4
67.05513	26.1
69.07075	13.6
71.07359	3.6
71.08643	13.7
79.05499	29.8
81.03434	6.2
81.07063	33.1
83.04991	6.4
83.08598	9.1
86.09708	35.4
87.01991	2.2
87.16402	2.0
91.05490	22.5
93.07048	31.9
95.04964	5.0
95.08610	26.4
96.30917	2.3
97.06501	6.3
97.10136	3.6
98.21571	3.8
98.98483	5.6
99.08088	7.8
104.10721	2.8
105.07043	22.5
107.04935	6.6
107.08585	18.3
109.10155	9.3
113.09599	2.7
115.55975	2.3
117.07022	6.4
119.08571	14.1
121.10125	12.1
123.11719	2.9
125.00017	22.1
131.08595	11.1
133.10130	11.7
135.11694	14.6
143.08578	3.6
145.10127	6.2
147.11702	3.9
149.09602	3.0
149.13268	7.1
151.11157	6.0
159.11736	4.6
161.13243	5.4
163.11208	3.5
167.89243	2.4
171.11647	4.1
173.13266	4.0
179.14342	26.9
184.07346	100.0
255.15894	3.4
257.18954	3.9
259.20596	3.2
269.17438	8.4
275.20129	7.7
277.21597	23.3
349.23700	9.6
351.25299	13.7
428.72797	2.9
467.18735	2.6
485.58585	2.9
531.36548	8.4
545.38171	21.4
625.44281	8.0
678.46619	10.0
681.12677	3.0
709.98688	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	678.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.1
56.05045	0.8
58.06625	0.5
59.07384	0.2
60.08169	6.5
60.08476	0.3
67.05516	0.2
69.45824	0.3
69.46233	0.7
70.06615	0.2
71.07378	3.4
79.05496	0.3
81.03432	0.3
81.07062	0.4
86.09712	31.0
91.05482	0.5
93.07068	0.1
95.08614	0.2
98.98470	3.8
104.10063	0.2
104.10749	2.8
104.83881	0.1
105.07044	0.1
125.00015	22.4
135.30881	0.1
139.03922	0.4
158.23981	0.1
184.07353	100.0
185.07715	0.6
213.12486	0.1
256.39331	0.1
337.20184	0.5
399.08017	0.1
432.73032	0.1
450.22906	0.1
460.25568	0.1
468.23599	0.3
481.27884	0.2
660.35687	0.3
678.36145	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	677.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.05519	16.2
57.03438	7.3
57.07079	4.8
61.02923	20.3
65.03947	2.8
67.05508	98.6
68.59987	2.2
69.03440	3.0
69.07080	17.8
71.04977	3.5
73.02914	6.0
79.05499	54.8
81.03413	5.6
81.07059	98.6
83.08617	11.3
85.02899	22.4
91.03959	18.4
91.05479	31.1
93.07046	63.7
95.04989	5.4
95.08612	78.6
97.02904	10.9
97.06534	5.5
97.10155	4.9
99.04478	3.9
105.07040	19.9
107.08605	49.8
107.59973	2.1
109.06529	3.6
109.10167	39.7
111.08060	3.9
115.05402	2.4
117.07024	11.9
119.08610	22.4
121.03071	2.3
121.10146	38.7
123.08050	3.0
123.11715	22.1
125.00011	2.5
127.03892	6.4
131.08580	24.5
133.10139	17.6
135.08022	2.6
135.11707	30.1
137.09610	2.9
137.13275	9.8
139.11147	4.5
145.05002	6.7
145.10136	19.6
147.11685	15.4
149.13275	24.0
151.14886	2.4
152.47224	2.3
159.11754	16.9
161.13245	11.9
163.06038	9.7
163.11125	2.9
163.14827	15.5
173.13261	20.2
175.14877	3.9
177.16431	7.7
179.14418	3.4
184.07387	3.3
187.14787	11.9
199.93619	2.3
201.16356	4.2
233.22665	4.1
243.21126	35.9
261.22168	100.0
269.17288	2.8
279.23245	4.6
335.25790	31.6
353.26883	32.0
497.31131	6.6
677.35052	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	677.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01859	1.2
55.05501	2.5
57.00584	0.6
57.03418	1.9
61.02929	4.4
66.93625	0.5
67.05507	8.6
69.03423	2.9
69.07069	3.0
71.04995	0.7
73.02929	2.7
79.05486	7.7
81.03426	2.7
81.07055	9.5
83.04972	1.3
83.08614	1.7
85.02908	4.3
85.06564	0.6
91.03958	3.0
91.05481	5.4
93.07043	9.6
95.04964	1.7
95.08601	6.4
96.08967	0.5
97.02888	4.5
97.06532	1.0
98.21508	1.8
99.04452	1.3
101.02417	0.8
103.14064	0.7
105.07026	3.4
107.04919	0.6
107.08619	4.5
109.02887	0.8
109.10165	2.5
117.07034	0.9
119.08568	2.9
121.10171	2.4
123.11728	1.0
127.03938	1.1
129.07007	1.1
131.08566	1.9
133.10144	2.4
135.07959	0.6
135.11739	1.9
143.08578	0.8
145.10120	1.5
147.11667	3.1
149.13269	2.1
159.11742	1.5
160.10022	0.5
161.13269	1.3
163.14825	0.7
171.11745	1.4
171.66838	0.6
173.13196	0.8
177.12750	0.6
187.14874	0.7
206.77341	0.7
229.58986	0.9
235.13118	1.0
243.08421	1.5
243.21179	1.4
247.13091	1.3
261.22131	3.4
335.25937	1.9
353.26920	1.4
402.74881	0.7
427.66031	0.6
453.20929	7.2
465.20926	7.3
515.29993	0.7
677.35065	100.0
678.35205	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	677.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01614	0.2
51.02379	0.2
53.03944	0.4
55.01864	0.3
55.05516	1.3
57.07070	0.3
59.04990	0.4
60.51553	0.2
67.05179	0.3
67.05507	3.3
69.03432	1.5
69.07069	1.9
71.04979	0.6
71.40900	0.2
74.34622	0.1
79.01861	2.2
79.05481	0.7
81.03428	1.6
81.07059	3.6
81.59304	0.2
82.25384	0.2
83.04984	1.6
83.08614	1.1
85.02923	0.9
85.06535	0.7
91.05466	0.8
93.07054	1.8
95.08614	6.9
97.02908	1.2
97.10139	0.2
99.04482	0.2
99.08080	0.7
105.07034	1.1
107.01324	0.6
107.08604	4.1
109.02870	0.9
109.06521	1.5
109.10164	18.2
111.08124	0.4
113.09628	0.2
119.08585	8.4
121.10162	2.0
123.08082	2.9
123.11709	1.6
125.02325	1.8
125.09601	0.2
127.03925	1.0
133.10139	4.1
135.11699	20.1
136.12126	0.2
137.09636	2.9
139.11166	0.3
142.47452	0.2
143.02319	0.3
143.03400	3.8
145.05026	0.3
149.13278	1.2
151.11220	1.4
151.14813	1.8
153.01837	100.0
153.02840	4.3
153.12730	0.6
154.02155	0.8
165.12688	0.2
165.16422	0.5
171.02948	0.9
175.14830	8.6
193.15892	13.4
211.16940	11.4
244.40286	0.2
279.04990	0.3
297.06128	1.9
305.02924	16.4
306.03128	0.2
315.07312	0.9
323.04047	0.8
372.27347	0.2
449.07135	1.7
467.08234	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	677.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12953	0.6
55.05534	1.1
56.31661	0.7
57.03422	1.1
60.08170	0.8
61.55597	0.7
67.05498	2.5
68.59011	0.7
69.07078	0.9
71.51005	0.7
79.05502	2.6
81.03429	2.4
81.07049	3.8
83.08633	0.9
85.02864	0.6
86.09713	3.8
91.05482	1.9
93.07048	2.3
95.04966	1.1
95.08607	0.8
104.70178	0.7
105.07072	1.4
107.08587	1.9
109.10282	0.7
119.08609	1.4
120.71127	0.6
121.10133	1.2
124.82376	0.6
125.00024	2.2
157.10153	1.0
184.07349	11.9
184.08803	1.0
185.07741	0.8
193.12314	1.1
236.90321	0.7
267.15860	2.3
268.16382	1.0
269.17548	1.7
307.57358	0.8
326.90448	0.7
335.93298	0.8
374.13489	1.2
376.15527	1.5
382.17587	0.8
387.15610	0.9
388.15524	1.5
389.16174	2.9
399.14813	1.3
400.15866	0.8
401.16547	0.7
402.17056	0.9
403.17880	2.5
404.18289	2.5
408.19537	1.0
413.16339	0.9
415.17929	1.3
416.14920	2.9
417.15503	3.9
427.13858	1.1
428.14685	1.5
429.15686	7.3
430.16714	1.3
431.17639	5.9
432.18112	3.1
442.16534	2.1
443.17603	3.9
444.18201	7.3
445.19427	3.8
448.17709	0.8
455.13159	3.2
458.12314	1.8
458.19336	0.9
459.16342	3.8
460.13190	1.5
461.18304	1.8
461.29132	2.3
462.29422	1.6
469.19016	1.2
470.15903	24.6
471.16486	4.7
472.13745	1.5
475.19861	2.3
479.30063	1.4
482.12335	1.0
486.15671	1.4
487.15921	6.0
488.17197	2.2
489.17566	1.2
490.22104	1.6
497.14389	11.3
498.14716	3.3
499.16183	2.6
500.13318	1.0
501.18115	4.2
502.18555	31.4
503.18802	3.5
513.17975	1.0
514.15210	1.2
515.15247	9.2
516.16504	2.0
518.21820	4.8
519.18982	1.0
525.17645	1.0
529.17371	2.5
530.17615	3.5
543.19208	0.9
546.21246	2.2
547.22003	0.9
555.18890	1.3
574.20538	3.1
575.21191	1.2
576.22339	2.7
578.24091	0.8
585.20404	1.2
589.22699	1.8
602.19916	2.3
616.21692	10.9
617.22021	1.7
627.20709	1.5
631.23859	3.1
634.22705	23.5
635.23505	29.2
645.21991	3.1
659.23773	1.4
677.24542	100.0
678.25049	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	677.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.3
51.02377	0.6
53.03946	0.7
55.01849	0.4
55.05504	0.6
57.07081	0.4
59.05004	0.3
67.05505	2.1
69.03432	1.0
69.07062	1.0
69.53309	0.4
69.53715	1.3
69.98582	0.2
70.06578	0.3
70.07310	0.2
79.01852	3.6
79.05497	0.8
81.03432	2.4
81.07068	2.4
82.90617	0.2
83.04972	1.0
83.08624	0.4
85.02899	0.6
85.06538	0.6
86.09716	0.5
91.05489	0.7
93.07046	1.6
95.04961	0.3
95.08619	3.3
97.02900	7.1
97.06531	0.3
97.21965	0.2
98.20766	0.5
99.04454	0.3
104.23610	0.2
105.07026	0.8
105.46232	0.3
107.01328	2.0
107.08609	2.0
109.02894	4.2
109.06530	0.7
109.10163	8.0
119.08591	3.4
121.10177	2.1
122.10352	0.3
123.08070	1.4
123.11733	0.7
125.02357	3.2
127.03932	7.8
131.08548	0.3
133.10158	2.1
135.11703	9.2
137.09651	1.4
143.03413	4.2
147.11722	0.3
149.13271	0.7
151.11198	0.8
151.14847	0.8
153.01843	100.0
153.02864	4.8
153.12747	0.3
154.02191	0.9
171.02908	14.5
175.14844	3.5
177.12762	0.8
178.13115	0.3
184.07346	1.5
193.15881	5.2
195.13866	0.6
196.14186	0.3
209.59137	0.3
211.16982	4.2
213.03972	0.4
237.03862	0.4
279.04935	0.7
297.06055	5.3
315.07159	0.3
399.15469	0.3
467.08270	3.0
550.21655	0.5
551.22729	0.4
555.68146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.5
56.05025	0.6
57.03426	0.2
57.07056	0.3
58.06363	0.2
58.06627	0.4
59.07394	0.2
60.08165	5.8
67.05511	1.1
69.07063	0.6
71.07376	3.2
71.08614	0.2
71.16055	0.2
71.16391	0.2
71.48857	0.1
75.20016	0.2
79.05490	1.0
80.37931	0.2
81.03423	0.5
81.07046	0.8
81.27254	0.2
83.04984	0.1
83.08608	0.3
86.09709	30.3
91.05483	0.7
93.07050	0.5
94.28131	0.2
95.04940	0.2
95.08614	0.5
97.10177	0.2
98.98472	3.6
104.10749	2.8
105.07036	0.4
107.04950	0.2
107.08607	0.3
109.10197	0.3
117.07020	0.2
118.83707	0.2
119.08604	0.4
125.00011	20.2
131.08534	0.3
133.10165	0.2
135.11658	0.3
136.06152	0.3
137.97307	0.2
166.02637	0.2
179.14278	0.2
184.07347	100.0
185.07695	0.5
193.12244	0.2
200.53529	0.2
234.03842	0.2
267.12308	0.2
267.15973	0.3
275.20251	0.2
438.22577	0.2
482.70355	0.2
496.33829	0.4
504.37787	0.8
590.03088	0.2
598.79938	0.2
676.45618	6.4
677.45160	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	676.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71635	4.5
53.03947	10.8
55.01876	11.7
55.05507	48.7
57.03439	11.3
57.07076	10.7
63.58910	4.7
67.05507	92.7
69.03417	14.4
69.07073	51.4
71.08634	47.6
71.51383	5.3
79.05500	82.1
81.03418	25.9
81.07061	91.2
83.04999	21.6
83.08625	19.5
85.06565	5.9
86.09726	9.2
91.05489	51.5
93.07047	100.0
95.04967	19.9
95.08611	56.9
97.02921	7.1
97.06533	21.9
97.10161	15.6
98.98470	10.1
99.08086	27.5
105.07032	42.5
107.04959	18.1
107.08598	47.2
109.06560	6.8
109.10153	30.6
111.08069	9.6
117.07031	18.4
119.08594	35.5
120.08884	5.8
121.06573	9.0
121.10150	31.4
123.08092	8.6
125.00053	6.7
125.09579	7.7
129.07024	11.3
131.08591	23.2
133.10144	20.9
135.08060	8.9
135.11728	31.4
137.09694	7.2
143.08553	6.3
145.10152	15.3
147.08093	7.6
147.11668	11.3
149.13283	11.2
151.11217	17.8
161.13298	20.2
163.11221	6.1
163.14758	5.5
175.11357	5.8
176.62804	4.6
177.12759	7.8
179.14314	86.4
180.14598	6.4
184.07326	47.1
192.74803	4.8
195.13899	7.2
200.56502	5.1
205.12207	7.1
223.13281	16.1
227.12802	5.1
229.62231	7.8
273.18509	21.8
277.21680	58.5
291.19522	95.1
320.34021	5.5
347.22168	7.8
351.25302	33.2
357.87152	6.2
365.23331	59.3
641.44220	86.0
642.44440	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	676.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01868	0.7
55.05518	2.7
57.03442	2.4
57.75628	0.3
61.02939	0.4
65.03951	0.4
67.05507	8.3
69.03424	0.6
69.07070	2.7
69.38441	2.9
69.95757	0.3
71.04986	0.7
79.05494	6.2
79.43436	0.4
81.03423	7.6
81.07059	9.8
83.04983	2.4
83.08624	4.2
85.02916	2.4
85.06545	0.7
91.05480	5.6
92.31261	0.4
93.07045	8.1
95.04971	3.5
95.08598	2.7
97.02921	0.8
97.06540	1.6
97.10162	0.5
99.08128	0.4
105.07034	2.9
107.04974	0.6
107.08580	3.6
109.10135	0.6
111.08092	1.6
117.07028	1.2
119.08592	2.9
121.06488	0.5
121.10151	2.9
123.08068	0.6
123.11715	0.3
129.07042	1.5
131.08577	2.2
133.06529	0.6
133.10152	1.9
135.11719	1.0
147.08037	0.6
147.11713	1.7
149.09622	0.6
149.13263	4.2
157.10170	1.9
159.11716	1.3
165.12769	0.4
174.30905	0.4
175.11237	1.5
177.12799	1.1
192.67703	0.4
193.12248	5.6
193.13887	0.6
195.13878	1.3
211.13298	6.8
231.12607	0.3
267.15952	4.0
269.17484	12.0
285.16998	6.7
320.10645	0.3
352.36813	0.4
380.22299	0.4
414.16287	0.6
415.17197	0.6
421.93741	0.4
426.16913	0.7
427.17426	0.6
430.15820	0.8
431.16797	0.7
441.19446	0.8
442.19495	1.0
443.16794	0.8
444.17578	1.3
445.18207	1.2
446.19250	2.2
453.15436	0.5
454.16168	0.8
455.16461	0.6
456.13409	0.7
457.13898	0.7
457.19043	0.6
458.14743	1.0
458.20108	0.6
461.28970	10.3
462.29520	0.4
468.13162	0.5
468.18329	0.6
469.14465	1.2
470.14597	2.3
471.15628	2.2
472.16776	2.9
473.17816	1.3
479.30096	16.6
480.14197	0.6
480.30759	0.8
481.14429	1.9
482.15070	2.6
483.16107	3.2
484.16812	3.8
485.17877	1.9
486.18860	3.8
487.18372	0.8
495.16510	2.4
496.16989	10.1
497.17709	5.8
498.18509	9.2
499.18991	2.1
500.19934	0.5
501.17056	0.7
511.19467	1.1
512.20074	0.8
514.18066	1.4
515.18542	0.6
516.19861	0.7
528.19617	0.8
530.20782	0.7
532.19110	0.4
542.16980	0.7
545.16260	0.6
555.19019	0.8
556.18903	11.3
557.19202	1.7
558.20221	0.6
570.20569	0.6
572.21936	0.5
574.24402	2.7
584.22394	0.8
586.23236	0.7
602.23309	0.4
618.22839	2.7
644.24152	4.9
645.24878	1.3
646.22113	2.3
658.26605	0.5
661.24670	4.7
662.24438	0.5
676.26892	100.0
677.26770	11.9
677.38568	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01862	0.5
55.05510	2.6
57.02301	0.4
57.03439	3.2
61.02924	0.6
67.05505	7.6
69.03439	0.8
69.07066	2.4
69.23473	1.6
69.23903	2.3
71.04993	0.8
79.05500	6.7
81.03416	8.7
81.07058	9.2
83.04971	2.7
83.08618	3.2
85.02901	3.4
85.06555	0.4
91.05477	5.5
93.07043	6.9
93.07621	0.4
94.49877	0.4
95.04963	3.3
95.08605	2.7
97.02895	0.4
97.06537	1.1
97.10165	0.4
98.20786	0.7
105.07033	3.0
107.04969	0.7
107.08597	3.4
111.08080	1.6
117.07017	0.7
117.28760	0.5
119.08601	2.0
121.10124	2.4
123.11732	0.5
129.07004	1.4
131.08539	2.1
133.10130	1.4
135.11703	1.1
147.08113	0.7
147.11688	1.4
149.09660	0.8
149.13255	3.0
157.10194	1.4
159.11700	0.9
175.11238	1.7
177.12753	0.5
193.12250	4.6
195.13817	1.2
211.13280	6.4
267.15939	4.3
269.17496	10.4
270.17892	0.4
285.16928	5.3
400.14191	0.5
414.16367	0.7
426.16281	0.5
427.16864	0.8
430.16074	1.1
431.16620	0.9
442.15924	0.5
442.20358	0.5
443.17197	0.7
444.17603	1.5
445.18658	2.0
446.19171	2.0
453.15378	0.6
455.17477	0.9
456.17926	0.7
457.14355	1.1
457.19431	0.6
458.14743	1.1
458.19638	1.3
459.15222	0.7
461.29013	8.3
462.29068	0.5
468.17484	1.9
469.15015	1.7
470.14722	2.7
471.15613	2.5
472.16956	2.5
473.17792	1.4
474.18210	0.6
479.30069	13.7
479.37039	0.8
480.14139	0.7
481.14423	2.3
482.15222	3.5
483.16040	3.6
484.16928	4.4
485.17838	1.9
486.18665	3.6
487.18555	0.9
495.16766	2.2
496.16983	9.1
497.17746	6.8
498.18457	10.1
499.19113	1.9
500.20407	0.6
501.17160	0.9
511.19308	0.5
512.20166	1.1
513.17645	0.7
514.18250	1.2
515.18677	0.5
516.19391	1.2
528.19775	0.9
530.21021	1.2
532.19263	0.8
542.18378	0.4
543.18188	0.8
555.18591	1.5
556.18793	9.0
557.19354	1.2
558.21460	0.7
573.22925	0.7
574.23804	2.3
584.21985	0.7
586.23450	0.6
617.21570	0.5
618.22424	3.3
628.20605	0.7
630.22345	0.6
644.24194	4.2
645.24915	1.2
646.22382	2.5
661.24249	4.2
676.26862	100.0
677.26770	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	675.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13803	1.0
55.01867	0.8
55.05507	1.2
57.03419	1.9
59.56931	0.8
61.02949	1.0
67.05511	4.9
69.03425	1.6
69.07067	1.3
69.19713	8.9
70.06625	1.4
73.02927	0.9
79.05505	3.2
81.03435	4.1
81.07053	3.8
83.04967	1.3
83.08634	1.5
85.02889	1.7
86.09718	1.0
91.05486	3.4
93.07056	4.4
94.06582	1.9
95.04958	1.8
95.07339	0.9
95.08613	1.7
96.08155	4.5
97.02896	1.2
97.06516	0.9
101.51765	0.9
102.14319	0.8
105.07054	2.7
107.04963	2.0
107.08581	2.8
108.08129	3.2
109.06580	1.0
109.10168	1.9
110.09721	5.0
119.08578	2.0
120.04482	3.2
120.08099	3.7
121.10142	1.5
122.06062	1.1
122.09674	1.3
124.07541	1.1
124.99986	1.4
125.09614	1.0
129.07042	1.1
133.10127	2.9
136.07555	4.5
138.09160	9.2
146.06035	1.1
148.07582	1.1
152.07040	1.4
153.01823	2.7
162.05446	0.9
163.11211	1.5
164.07137	1.1
166.08653	7.5
172.03943	2.0
180.10114	1.1
184.07352	4.8
198.11502	0.9
204.06757	1.5
209.10843	1.2
223.12486	1.0
224.09349	1.0
225.10301	3.5
227.11722	1.9
233.10899	1.3
235.08690	1.3
236.09454	1.1
237.10187	7.1
238.10870	1.2
239.08284	1.0
239.11691	2.3
241.09758	1.4
249.10281	3.5
250.10991	2.0
251.08174	2.9
251.11755	5.5
252.12666	1.4
253.09702	4.4
255.11467	0.9
261.10263	3.2
263.11917	2.0
265.09769	7.2
266.10577	2.3
267.11295	6.2
269.12762	2.1
271.10797	2.2
273.12357	0.9
277.09711	3.3
278.10553	4.1
279.07657	3.4
279.11292	8.5
280.11929	1.8
281.09183	2.5
281.12766	2.8
283.10788	6.2
287.13916	2.6
289.09616	4.8
291.11288	2.1
293.09338	2.2
293.12921	4.0
294.09985	4.9
295.10684	3.5
296.11554	3.2
297.12308	2.5
299.10345	2.0
307.10727	2.9
308.11588	1.4
309.12445	2.3
310.13092	1.3
311.10272	7.0
311.13913	2.5
312.10980	2.2
313.11749	2.1
314.12656	2.1
323.10297	2.0
323.13898	1.9
324.11087	2.3
325.11789	2.6
326.12613	3.6
327.13336	7.9
335.10220	8.9
337.11816	1.5
339.13400	51.8
340.10495	2.1
340.14270	1.2
352.10413	2.6
353.11151	1.2
354.11969	3.3
355.12885	15.5
367.12888	30.9
398.14511	1.3
399.15674	1.7
413.17865	1.0
416.15836	1.9
419.32480	1.2
436.62354	1.0
441.27655	0.8
458.16895	2.3
460.18637	2.2
477.35922	1.2
478.28464	1.7
479.20496	3.3
480.21347	1.1
488.18222	8.1
492.21304	2.8
520.20844	100.0
521.21063	5.0
538.21643	2.0
552.23431	35.6
553.23718	3.6
585.28400	1.6
611.24701	4.9
675.31268	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	675.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58677	0.3
57.94556	0.4
60.85534	0.3
63.02142	0.4
67.05494	0.3
69.15298	2.7
69.15722	1.4
103.86500	0.3
127.45376	0.3
138.68343	0.4
146.03955	0.3
147.09915	0.3
158.82137	0.3
204.51495	0.4
210.36496	0.4
211.13393	0.4
231.09909	0.4
234.79858	0.4
413.16193	0.4
441.20001	0.4
445.18820	0.5
453.15912	0.7
454.16827	1.2
456.14362	0.8
457.15109	0.7
461.28790	0.4
467.13574	1.5
468.13895	2.2
469.14929	7.2
470.15161	1.8
471.16571	1.0
472.18076	0.7
479.30377	0.6
480.14352	0.7
481.14795	2.6
482.15887	8.9
483.16669	8.8
484.17725	2.1
485.18335	1.2
486.18912	0.5
495.16971	3.4
496.17691	5.4
497.18277	35.5
498.18988	3.4
499.20392	0.6
510.19586	1.9
511.19839	4.6
512.20844	1.0
515.19464	1.1
523.15857	0.7
528.16229	2.1
541.17340	1.2
542.17999	1.9
555.18738	4.0
556.19604	2.4
557.20355	3.3
569.20654	1.1
573.22559	0.8
616.22131	1.0
617.22595	0.9
629.22870	0.8
643.24091	5.5
644.24799	6.2
645.24493	1.2
657.25812	5.6
660.24506	1.2
675.26660	100.0
676.26910	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	674.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	10.3
57.03421	4.7
57.07082	23.4
58.45259	1.8
65.03928	2.5
67.05174	3.1
67.05509	37.1
69.07061	7.3
71.05002	11.0
71.08639	21.6
76.97756	1.6
78.08289	1.7
78.34647	1.9
79.05502	10.3
79.24921	2.0
79.59668	1.7
80.54562	1.6
81.07069	35.5
83.08617	13.9
85.10198	9.9
91.05491	12.4
93.07047	17.0
95.08623	21.1
97.06544	4.6
97.10164	8.0
97.99542	1.9
98.21494	7.2
99.08093	3.8
105.07023	6.8
107.08608	9.0
109.10165	16.3
111.08084	2.7
119.08599	3.6
121.10113	3.0
123.11713	5.3
125.09637	4.2
133.10115	4.9
149.13254	4.3
151.11200	2.6
169.43585	1.6
173.11688	2.2
179.14307	1.8
189.11278	2.2
195.13956	2.2
227.12849	10.0
229.14326	21.8
229.46111	2.6
239.23698	3.1
277.21716	3.2
313.27350	25.1
351.25476	9.3
411.34570	2.8
467.37393	13.1
507.40524	100.0
589.48102	5.4
596.15387	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	674.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.01874	0.4
55.05296	0.2
55.05518	1.6
56.05028	0.5
57.03442	0.5
57.07063	0.3
58.06612	0.4
60.08165	6.1
65.03930	0.2
65.30346	0.2
67.05508	5.0
68.05845	0.7
69.03429	1.2
69.07082	1.4
71.05000	0.3
71.07373	3.3
77.22726	0.2
79.05498	3.1
80.05833	0.5
81.03417	1.3
81.07061	5.5
82.07399	0.8
83.04984	0.7
83.08620	0.7
84.08956	0.2
84.73773	0.2
86.09709	30.2
91.05480	3.3
91.58746	0.2
92.05814	0.6
93.07043	3.1
94.07393	0.6
95.04971	1.0
95.08610	2.6
96.08932	0.4
97.02874	0.3
97.06526	0.5
97.10174	0.4
98.98476	3.2
99.08083	0.3
104.10756	1.8
105.07024	2.0
106.07370	0.5
107.04960	0.4
107.08595	1.6
108.08933	0.5
109.02886	0.3
109.06504	0.6
109.10158	1.4
111.08062	0.4
117.07029	0.9
119.08566	1.1
121.06536	0.3
121.10150	1.1
123.11658	0.3
125.00009	20.4
125.09624	0.3
127.03899	0.2
129.06987	0.8
130.07346	0.3
131.08577	1.1
132.08867	0.3
133.06529	0.4
133.10155	1.1
134.10475	0.6
135.08047	0.3
135.11687	0.7
136.07259	0.2
141.46384	0.2
142.07770	0.3
143.08557	0.5
145.10143	0.7
145.79381	0.2
146.10422	0.3
147.08029	0.2
147.11661	0.7
149.09688	0.2
149.13251	0.5
155.75238	0.2
157.10185	0.2
159.08096	0.2
159.11723	0.8
160.12018	0.2
163.11177	0.2
169.10063	0.3
171.11655	0.3
173.13208	0.2
175.11201	0.3
176.11507	0.3
184.07347	100.0
185.07677	0.7
195.13687	0.2
259.20538	0.3
269.17447	0.4
274.18921	0.4
291.19476	0.9
292.19873	0.6
352.23624	0.2
365.23581	0.2
370.24512	0.4
371.81577	0.2
491.36609	0.2
638.41095	0.6
656.42352	1.3
674.43701	5.0
675.43713	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36561	0.7
55.01886	3.6
55.05270	0.8
55.05516	10.2
57.03445	7.7
57.07077	1.5
59.04997	1.9
61.02927	3.0
65.03938	1.1
67.05510	21.7
69.03432	2.3
69.07076	7.0
70.06599	0.7
70.95872	1.5
71.05000	3.4
73.02929	1.2
79.05497	20.3
81.03430	12.3
81.07061	28.3
83.01342	3.1
83.04993	7.6
83.08624	11.1
85.02919	6.3
85.06544	1.2
91.03966	1.6
91.05486	14.1
93.07050	26.2
95.04967	5.9
95.08617	9.3
97.02899	2.4
97.06532	4.2
97.10177	1.0
98.21192	0.8
99.04443	1.4
99.08080	1.3
105.07036	7.9
107.04979	3.8
107.08601	15.1
109.06522	3.7
109.10167	1.7
111.04443	1.5
111.08120	3.1
117.07013	4.9
119.08581	6.1
121.06518	1.8
121.10152	6.7
123.04503	0.7
123.08072	4.0
123.11694	1.9
125.06035	0.8
125.09636	1.2
127.03938	0.8
129.07013	1.4
130.07806	1.0
131.08553	3.8
133.06503	0.7
133.10146	5.7
135.08099	2.0
135.11690	8.1
137.09602	1.7
143.08595	0.8
145.06433	0.9
145.10127	8.3
147.08047	1.7
147.11696	1.0
149.02374	0.9
149.09647	1.0
149.13261	5.4
153.12770	1.2
155.08643	1.5
157.10143	1.3
159.11726	2.1
163.11182	11.8
164.48576	0.6
173.09583	1.4
175.11201	0.9
176.78452	0.7
177.12788	1.9
181.12201	1.1
191.10689	1.7
193.04997	0.7
193.12244	3.8
195.13820	4.9
209.11659	3.0
211.13301	1.9
227.12883	1.9
267.15939	9.1
269.17505	31.2
270.17966	0.7
283.15414	44.8
285.16916	1.9
310.45215	0.6
367.22906	1.6
383.65283	0.7
385.23636	1.4
433.25870	1.0
459.27499	5.9
472.57584	0.7
477.28510	100.0
478.28809	2.3
497.18396	0.9
674.35437	2.3
675.26703	2.1
691.13251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01889	3.6
55.05514	10.1
57.03449	8.7
57.07062	1.9
61.02911	2.4
63.06488	0.8
65.03935	1.7
67.05508	25.1
69.03418	1.5
69.07066	9.4
70.06611	1.2
70.16103	0.8
70.16437	3.2
71.01346	1.2
71.05001	3.8
73.02902	1.4
79.05499	22.2
80.35814	0.7
81.03425	6.4
81.07059	34.9
83.01357	5.2
83.04984	7.8
83.08628	9.8
85.02924	3.6
85.06548	2.2
91.03953	0.9
91.05491	13.9
93.07051	31.8
95.04961	3.8
95.08611	10.6
97.02897	2.9
97.06535	6.3
97.10152	1.6
97.85357	0.7
98.20900	1.1
98.21384	1.0
99.04449	1.8
99.08103	1.5
102.09183	1.3
105.04440	0.8
105.07034	6.1
107.04949	3.6
107.08605	18.0
109.06532	4.5
109.10152	3.6
111.04434	1.5
111.08084	3.2
113.09599	1.0
117.07030	7.0
119.08598	4.4
121.06501	2.5
121.10152	10.7
123.08107	3.8
123.11697	0.8
125.06080	0.7
125.09609	1.0
129.07025	1.3
130.07858	1.2
131.08601	4.7
133.10170	4.4
135.08040	1.5
135.11702	11.6
139.07590	0.8
145.10130	8.7
147.11581	1.1
149.02327	3.9
149.09645	1.2
149.13263	11.2
155.08537	1.2
159.11688	6.1
163.11188	10.8
173.09631	1.1
177.12784	2.2
181.12256	2.6
191.10658	1.6
193.04968	2.1
195.13860	5.5
209.11725	4.0
213.14949	1.0
227.12782	3.6
228.23126	2.7
265.14362	1.6
269.17499	49.2
270.17706	1.1
283.15417	42.3
284.15811	1.0
459.27362	2.8
469.99567	0.8
477.28506	100.0
478.28824	2.3
495.16367	1.0
563.05286	0.8
674.35284	6.3
675.26532	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	673.4311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	3.2
53.03941	10.7
55.01882	11.2
55.05516	32.7
57.03433	9.4
57.07071	2.6
65.03929	8.8
67.05508	95.8
69.03434	42.6
69.07075	28.1
71.04993	5.9
71.08634	3.6
77.03931	3.7
79.05019	2.3
79.05495	75.0
81.03423	31.1
81.07059	100.0
83.04971	9.2
83.08610	23.1
85.02899	5.5
85.06538	6.4
88.28195	2.2
89.06030	10.6
91.05483	65.5
93.07048	68.8
95.04970	21.5
95.08611	59.5
97.02846	5.0
97.06522	14.3
97.10175	7.4
98.20751	6.1
98.98447	3.6
99.04447	3.1
99.08070	3.3
99.25478	2.3
105.04489	2.6
105.07036	51.4
107.04952	9.6
107.08588	48.2
109.02883	5.8
109.06519	9.5
109.10145	14.8
111.04434	7.3
111.08076	6.9
115.05433	4.1
117.07021	26.6
119.08595	27.7
121.06490	10.1
121.10149	24.5
121.64048	2.3
123.04446	2.4
123.08095	4.0
123.11726	12.0
128.06218	2.7
129.07019	12.9
130.07771	2.8
131.04898	2.5
131.08598	25.4
133.06480	5.8
133.08598	7.1
133.10135	31.5
135.08073	8.5
135.11702	16.3
137.05962	3.7
137.09593	5.6
141.06932	5.4
143.08548	10.2
145.06517	5.0
145.10143	20.1
147.08046	7.9
147.11679	19.4
149.09625	5.2
149.13286	18.6
151.11176	2.9
155.08540	8.3
157.10155	9.6
159.08051	3.8
159.11679	19.0
161.09619	5.7
161.13284	6.9
163.11183	4.5
163.14780	2.7
165.12753	3.4
169.10129	6.7
171.08011	4.1
171.11681	9.6
173.09618	7.3
173.13242	8.9
175.11255	4.3
175.77599	2.1
177.12767	7.7
181.10155	3.5
183.11717	5.3
184.07309	5.1
185.09686	2.4
185.13274	6.3
187.11191	2.5
189.12863	4.5
191.10750	3.3
195.12097	2.8
195.13768	13.4
197.13214	4.6
199.14848	5.1
201.12605	2.9
209.13321	4.0
213.14761	3.3
213.16576	3.1
259.20636	4.6
267.15912	5.2
269.17407	21.3
277.21716	4.9
289.21500	3.2
291.23178	2.6
301.21609	7.1
319.22559	4.8
325.21509	2.8
327.23074	5.1
337.29062	3.8
341.24557	3.3
351.23318	6.2
369.24188	11.8
387.25220	6.8
405.26639	3.8
443.27856	5.2
461.29004	9.9
529.38434	2.8
637.40509	5.3
645.41760	2.4
655.41626	10.5
673.43207	50.5
674.43280	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.01877	3.8
55.05521	10.7
57.03439	7.5
57.07075	1.0
61.02920	1.8
65.03933	0.9
67.05511	31.0
69.03423	2.2
69.07069	11.9
71.04989	2.9
73.02928	1.8
79.05500	25.9
81.03423	6.2
81.07063	37.5
83.04983	6.3
83.08622	10.7
85.02901	2.2
85.06535	1.1
91.05489	11.6
91.90084	0.7
93.07052	40.4
95.04971	5.4
95.08617	23.9
97.02889	3.5
97.06548	5.7
97.10164	2.0
99.04468	2.8
105.07047	7.3
107.04961	5.1
107.08598	24.6
109.06529	1.8
109.10166	3.5
111.04447	1.9
111.08106	3.7
116.88926	0.7
117.07024	9.6
119.08595	5.5
121.06512	3.6
121.10149	11.9
123.08068	2.1
123.11707	1.4
125.06085	1.2
125.09636	1.6
129.05492	1.6
129.07021	1.0
130.07797	1.1
131.08583	5.2
133.10164	5.8
135.08061	2.6
135.11703	26.7
145.10132	15.6
149.09639	1.1
149.13268	10.7
155.08607	0.9
159.11684	4.4
163.11192	30.7
170.16489	1.0
173.04472	0.9
173.09615	1.5
177.12787	2.6
181.12256	4.6
195.13820	4.2
209.11778	1.6
215.76639	0.9
227.10545	1.6
227.12788	31.9
267.15710	1.4
269.17496	49.6
270.17856	1.5
283.15433	35.0
301.16513	2.1
436.54089	0.9
451.26102	0.9
454.16754	0.8
469.15265	1.4
474.69891	0.8
477.28522	100.0
478.28845	3.4
482.15781	2.1
483.16611	2.7
495.16568	1.2
495.29846	1.2
496.17416	1.0
497.18289	9.4
512.19647	0.9
555.18506	1.3
643.23785	1.6
644.24677	1.9
657.23187	1.3
675.26654	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	673.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
53.91542	1.6
55.01869	6.4
55.05309	1.7
55.05516	17.3
57.03442	19.3
59.04990	2.4
65.03943	1.9
67.05508	73.8
69.03431	28.8
69.07069	6.2
71.01346	1.8
71.04993	6.3
73.02925	25.0
74.41312	1.5
75.01812	1.4
79.05502	29.3
81.03424	59.7
81.07063	24.8
81.71712	1.7
83.04983	17.9
83.08627	17.2
85.02908	39.6
85.06549	3.7
88.20412	1.5
91.05479	25.4
93.07043	14.9
93.36931	1.7
95.04970	24.0
95.08589	10.6
96.04530	1.7
97.02911	21.1
97.06532	7.0
97.10196	2.5
99.04472	3.6
99.08080	1.9
101.02380	3.9
105.07040	13.9
107.04970	20.0
107.08614	10.0
109.02878	7.3
109.06520	6.4
109.10161	56.8
111.04459	10.4
111.08086	8.1
113.05995	3.0
115.03916	3.7
119.08582	18.1
119.91748	1.6
121.06516	2.4
121.10126	7.4
123.04402	3.7
123.08110	2.5
125.09653	5.4
127.03922	8.9
129.05495	6.5
129.07033	8.1
131.03444	4.2
131.08615	9.3
133.06517	2.4
133.10143	7.9
135.04454	12.2
135.11655	4.0
137.09628	4.2
142.07817	2.3
145.04996	2.1
145.10152	2.9
147.11716	13.2
149.09619	6.5
153.05493	4.2
155.10689	6.7
157.08879	1.8
157.10056	8.7
163.03900	2.9
163.11166	2.5
165.12762	2.3
173.04428	1.9
173.11766	11.8
175.11214	11.3
193.12262	34.7
211.13293	50.0
217.07118	5.7
227.12813	2.1
229.14374	55.1
249.15292	1.7
267.15924	16.8
283.15350	4.1
285.16974	26.5
301.16296	1.7
347.21741	1.9
379.09454	1.7
413.18060	3.3
421.25757	15.5
439.26953	100.0
440.27115	2.5
445.20648	1.8
501.23370	3.4
550.21289	2.2
551.23114	2.3
572.66425	1.8
673.23474	2.7
673.34064	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01881	0.7
55.05505	2.8
57.03433	1.3
61.02909	0.6
67.05512	5.4
69.03448	1.5
69.07082	1.0
71.05003	1.5
71.51372	0.9
74.59921	0.6
79.05500	4.4
80.05040	0.6
81.03435	4.5
81.07066	5.1
83.04990	2.2
83.08624	2.0
84.26955	0.7
85.02917	1.2
85.06577	0.7
91.05504	3.9
93.07053	5.0
94.06580	2.6
95.04983	2.7
95.07343	1.8
95.08617	2.0
96.08138	4.0
97.02913	1.4
97.06518	1.0
97.10182	1.0
99.54403	0.6
105.07042	1.5
107.04944	0.7
107.08621	1.5
108.08131	5.0
109.02859	0.7
109.06510	1.4
109.10161	2.2
110.09687	8.9
111.04478	0.8
111.08120	0.8
117.07019	0.8
119.08569	1.5
120.08112	6.7
122.06057	2.5
125.00120	0.7
131.08588	1.5
133.10144	1.7
134.06041	1.3
135.08025	0.7
135.11708	1.0
136.07585	2.9
138.09146	10.0
147.11714	1.2
148.07613	2.2
149.09708	0.7
157.10191	0.8
159.11737	0.6
163.11226	0.9
166.08662	11.3
166.09962	1.0
171.00330	0.6
184.07419	0.9
193.07771	0.7
193.12186	1.5
209.10786	2.5
211.13318	1.2
222.07768	0.7
223.12311	0.8
225.10202	1.4
229.14323	0.6
235.08766	3.2
236.09445	4.0
237.10246	16.9
238.11082	0.6
239.11885	1.3
241.23247	0.7
249.10239	13.4
249.12640	0.9
250.10992	3.1
251.08238	1.9
251.11876	4.5
252.12689	1.3
253.09799	1.8
255.11299	0.9
261.10321	1.9
263.08224	2.6
263.11874	1.2
264.08945	9.5
265.09763	8.3
266.10449	1.2
267.11288	3.9
267.15826	0.9
269.09387	0.8
277.09766	11.1
278.10480	4.6
279.08145	1.0
279.11288	11.2
280.12018	1.9
281.09311	2.6
281.12674	0.7
282.10260	1.0
283.10910	1.4
283.15344	0.8
289.09848	1.4
291.07764	2.3
292.08646	1.5
292.12054	0.9
293.09283	40.3
293.12766	4.3
294.09775	1.8
295.10764	3.1
305.09213	8.4
306.10022	0.9
307.10843	9.3
309.08795	2.5
309.12418	2.9
311.10364	2.2
311.13980	1.8
312.11258	1.7
313.11975	2.9
319.10806	1.2
321.12543	1.0
322.13190	0.9
323.10214	5.3
323.13721	0.9
325.11942	3.9
327.13876	0.6
333.08661	5.5
337.11978	2.9
338.12875	0.8
339.13437	6.8
342.12250	0.8
342.16052	0.9
351.09775	21.0
351.14047	1.1
353.11435	1.8
353.15161	1.6
354.12198	1.6
355.12988	2.1
356.13535	0.7
365.11371	2.7
366.12128	4.1
367.12915	1.3
368.13956	1.8
369.14923	1.0
370.11691	1.5
370.15967	1.2
371.12408	3.4
372.13037	0.9
374.85294	0.7
382.11716	1.1
383.12527	5.2
384.13089	1.0
385.13849	3.1
386.14819	1.1
388.13446	0.8
397.14102	6.0
398.14771	2.5
410.15070	1.3
418.17572	3.1
428.16068	0.8
438.14639	3.1
439.26730	1.3
446.17099	11.2
456.15491	7.4
458.16974	1.3
459.27499	4.6
461.28531	0.9
476.18246	4.5
476.27338	0.8
477.28412	4.4
478.19788	10.2
488.18213	2.8
490.19339	1.5
518.19348	2.0
519.20233	2.9
520.21082	1.3
523.23157	1.0
536.20239	4.7
550.21912	51.4
551.22675	100.0
552.22839	5.1
591.22339	1.4
609.23395	2.9
623.24945	1.9
641.26190	11.4
673.34436	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	672.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.3
55.01871	2.2
55.05515	12.0
57.03434	6.2
57.07081	25.8
65.03940	1.8
65.38144	1.6
67.05509	31.4
69.07073	17.5
70.81017	3.7
71.04994	6.3
71.08642	15.4
79.05497	16.4
81.03413	1.9
81.07062	34.2
81.56435	1.3
83.04991	2.8
83.08620	16.0
85.10184	12.4
87.04464	1.6
89.06045	7.4
89.25447	1.5
91.05485	11.3
93.07051	18.5
95.04942	1.8
95.08613	23.3
97.06545	6.2
97.10185	7.5
105.07032	10.0
107.08619	11.4
109.06542	3.2
109.10172	19.0
111.08069	1.8
117.07021	6.2
119.08572	6.8
120.55251	1.6
121.06551	2.7
121.10126	6.6
123.11713	3.3
125.09642	3.3
131.08580	5.7
133.08585	1.9
133.10147	6.9
135.11696	2.4
145.10164	4.5
147.11755	2.6
149.09618	5.0
149.13272	3.2
150.58063	1.8
159.11752	3.8
161.13289	1.7
163.11169	1.9
173.11763	3.3
177.12700	1.7
195.13878	2.2
227.12808	12.7
229.14389	16.5
239.23689	2.0
257.19095	3.2
275.20102	11.8
307.22672	2.2
313.27417	38.2
349.23743	8.5
381.06970	1.6
426.56436	1.7
466.41165	1.7
467.15085	2.0
467.37390	12.8
507.40512	100.0
508.41080	2.8
547.43561	4.6
587.46979	11.7
619.48779	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01870	3.8
55.05515	14.5
57.03436	6.1
57.07074	4.6
67.05508	33.3
69.03435	5.9
69.07070	14.1
69.80015	9.8
71.08626	3.7
79.05494	24.8
81.03422	12.5
81.07066	34.7
83.04995	3.7
83.08620	6.9
91.05484	21.6
93.07050	18.0
95.04975	9.9
95.08617	16.1
97.06528	4.6
98.20821	3.4
103.05507	3.2
105.07043	15.5
107.04963	3.7
107.08611	14.9
109.02870	3.6
109.06516	5.4
109.10159	8.4
117.05453	2.7
117.07021	10.4
119.08600	14.3
121.10152	5.4
129.06989	6.0
131.08583	9.6
132.08110	3.2
133.06500	3.7
133.10138	9.2
135.11688	5.9
143.08543	5.1
145.10147	6.2
147.11690	4.4
149.09560	2.5
149.13271	4.5
151.11131	2.9
159.09145	6.9
159.11726	4.7
163.11189	2.5
169.10069	3.3
173.13313	3.5
177.12787	5.6
184.07462	3.0
199.08926	3.1
201.52873	3.1
209.10704	3.4
210.11481	5.1
223.12337	7.9
224.13062	3.9
225.13846	13.5
234.11446	3.0
236.14513	2.6
237.13843	15.8
238.14656	12.4
239.15443	8.3
249.14096	3.5
250.13487	2.8
253.14420	3.2
253.16940	5.7
261.14050	3.0
264.15073	4.5
274.13345	4.0
275.20142	4.1
276.15033	3.8
291.19562	8.5
293.21188	5.9
304.14490	2.7
314.16608	3.4
316.17929	3.8
324.14612	2.9
326.16629	4.0
327.17081	2.9
328.17859	4.3
339.17038	3.2
340.17996	3.5
341.18765	2.6
342.19757	3.9
352.18198	3.8
353.17920	4.6
355.19440	3.7
364.16635	3.5
365.17813	3.3
366.19617	4.1
367.19421	4.3
369.20746	3.7
376.17801	2.5
378.18646	3.6
379.19434	5.1
381.16846	4.0
395.18753	3.2
397.20157	2.7
405.17123	4.4
406.17719	5.7
407.18723	3.6
409.20020	5.6
419.18710	4.8
420.19608	3.2
421.20209	5.2
422.21213	5.3
423.21609	9.4
435.21408	3.3
436.22269	4.1
437.23880	3.9
438.20654	4.2
439.21158	3.2
440.22348	3.9
443.22263	4.8
447.21695	8.9
448.18683	13.7
453.22372	2.6
455.24551	4.5
456.22086	3.4
461.23373	7.4
462.20352	3.2
466.19348	3.8
477.22601	4.3
480.21671	16.6
483.23959	3.7
493.22247	3.9
494.22922	3.6
498.26697	5.6
499.26666	4.4
503.33282	3.8
506.19730	3.9
507.24402	3.1
509.25256	8.9
511.23981	3.5
523.27203	4.0
527.25580	4.2
541.27869	4.9
551.26251	5.8
552.24738	3.1
553.25244	3.3
554.25098	5.2
557.24487	2.9
561.38190	5.5
569.28149	19.5
577.24432	5.4
579.25696	6.7
586.27289	5.0
587.28271	9.1
594.24615	20.4
595.25476	97.2
596.25470	7.7
597.26996	6.3
601.30029	9.0
605.23761	11.6
609.27045	68.1
611.28729	22.2
612.26379	18.1
613.26306	7.8
614.27191	7.4
623.24548	10.0
629.29730	100.0
630.29517	4.4
631.27783	13.8
637.26434	16.5
655.27222	16.8
673.28387	61.3
673.42383	12.6
674.29309	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	672.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.9
55.01868	5.6
55.05516	29.6
56.63049	1.4
57.03447	14.6
57.07080	40.4
59.04996	3.6
65.03946	1.5
67.05511	62.0
69.07079	13.9
71.01334	1.7
71.05005	2.0
71.08640	28.2
73.02917	3.4
73.77468	1.5
77.23564	1.3
79.05494	13.5
79.83767	1.3
81.03413	7.9
81.07063	30.5
82.73232	1.4
83.01344	2.0
83.04984	3.6
83.08622	17.4
85.02914	12.5
85.06553	2.2
85.10189	14.8
87.04479	7.6
87.60717	1.3
89.06047	8.2
91.05492	8.7
93.07043	8.4
95.04989	2.8
95.08612	24.4
97.02916	2.1
97.06530	3.1
97.10182	19.4
98.20741	3.3
98.31787	1.3
105.07029	3.7
107.04980	3.5
107.08603	9.1
109.06538	2.3
109.10170	45.1
111.04468	1.5
111.08100	3.4
117.07026	2.8
118.42749	1.4
119.08597	5.1
121.10147	3.1
123.11685	2.0
125.09641	15.7
129.05493	2.7
131.08511	1.7
133.08630	1.9
135.11707	4.3
137.09654	3.9
140.21930	1.5
142.41711	1.5
143.10721	2.5
145.10153	3.4
153.12810	2.4
155.10706	4.8
163.11174	8.3
173.09573	2.1
173.11737	12.9
181.12238	3.2
189.11119	1.4
193.12325	1.6
199.13336	7.9
209.11722	7.2
227.12808	6.9
229.14380	46.5
239.23691	5.8
257.24728	2.1
267.15848	2.2
301.16483	13.7
313.27390	100.0
314.27652	2.1
399.23990	10.6
437.36276	2.2
448.80057	1.4
452.56335	1.6
455.37396	7.7
467.37408	20.3
521.38849	1.4
539.39349	3.8
557.40997	1.7
637.46643	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	672.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
55.01867	2.5
55.05515	13.1
57.03444	7.2
57.07080	34.5
61.02932	13.0
65.03929	1.4
65.37972	1.4
67.05509	29.3
67.68136	1.1
68.05841	2.2
68.35780	1.4
69.03436	3.1
69.07076	12.4
71.04976	2.0
71.08640	28.1
73.02898	4.1
75.04482	2.0
79.05500	12.2
80.05820	4.2
81.03442	10.2
81.07063	28.3
82.03741	1.9
82.07374	1.7
83.04967	4.0
83.08617	13.8
85.02914	17.1
85.06573	1.3
85.10186	16.9
91.03964	12.3
91.05486	14.1
92.05843	2.3
93.07046	10.8
94.07314	2.3
95.04433	1.4
95.04958	8.5
95.08617	28.2
96.08980	2.3
97.02879	6.7
97.06586	2.3
97.10187	9.7
99.04513	1.8
105.07038	9.1
106.07378	2.1
107.04939	3.5
107.08610	7.1
109.06487	1.7
109.10159	15.5
110.10470	2.2
111.04420	2.0
111.08074	2.3
111.11660	1.4
117.07016	5.8
119.05012	1.7
119.08591	7.9
121.06508	2.7
121.10137	2.8
123.08068	1.4
123.11737	3.6
123.51332	1.2
127.03909	4.6
128.06270	1.6
129.06989	4.0
131.08554	4.9
133.06528	1.9
133.10117	4.0
134.10413	1.3
135.08040	2.3
135.11699	2.9
137.13219	1.9
143.08542	3.5
145.04959	5.9
145.06429	1.3
145.10101	3.8
147.11732	2.2
149.09612	1.9
149.13190	1.4
155.08577	1.6
157.10071	2.1
159.08058	2.1
159.11659	2.6
160.12053	2.3
161.09575	1.6
161.13232	1.5
163.06056	11.2
163.11168	2.5
171.11740	1.4
173.11717	1.6
173.13301	1.4
175.11151	2.0
183.11603	1.5
184.07283	3.7
185.66714	1.3
193.12279	2.1
194.12544	1.5
198.13470	1.6
211.13239	2.6
222.51543	1.3
229.12154	1.6
239.23700	25.5
257.24701	4.3
273.14758	2.0
313.27386	100.0
314.27774	1.6
331.24646	2.2
331.28467	32.5
335.26102	2.8
352.23480	1.6
384.24423	1.6
444.28702	1.5
636.39819	4.1
654.40588	6.5
672.42090	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	672.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.01862	1.3
55.05260	1.1
55.05512	8.9
57.03442	4.7
59.05030	0.9
61.02927	1.0
65.03945	1.9
67.05508	30.3
69.03447	1.1
69.07072	9.0
71.04988	2.8
71.51389	1.5
79.05499	32.8
81.03439	4.5
81.07063	35.4
83.04989	5.5
83.08622	7.2
85.02912	2.2
85.06551	1.8
91.04902	1.2
91.05479	22.2
91.06019	1.4
93.07050	36.0
95.04979	7.6
95.08061	1.2
95.08610	13.5
97.02888	1.7
97.06528	4.9
97.10159	2.2
99.08123	0.9
105.04537	1.3
105.07029	15.1
107.04964	2.4
107.08593	13.5
109.06517	2.3
109.10164	3.5
111.08073	2.5
117.07022	4.9
117.26400	0.9
119.08591	10.5
121.06504	1.3
121.10138	7.1
123.08072	2.5
125.09599	1.1
129.06993	5.7
131.08572	2.9
133.10161	5.7
135.08070	1.2
135.11711	3.5
143.08609	3.8
145.10153	4.1
146.67461	0.9
147.08109	1.2
147.11703	12.1
149.13269	9.8
151.11237	1.0
159.11716	3.6
161.09612	1.6
161.13257	3.5
163.11201	1.2
171.11703	8.8
177.12752	1.3
189.12782	3.1
195.13832	2.1
205.14879	0.8
207.13808	10.3
253.54839	0.8
269.17496	25.1
276.58908	0.8
281.17459	22.1
475.30594	100.0
476.30942	2.8
676.37842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
55.01869	1.8
55.05515	14.2
57.03436	5.1
57.07082	1.7
61.02930	1.8
65.03943	2.2
67.05508	40.1
69.03423	3.1
69.07073	12.4
71.04996	4.5
71.52065	1.5
79.05499	33.4
81.03427	10.0
81.07060	39.8
82.03759	1.5
83.04984	8.9
83.08621	7.1
85.02920	3.5
85.06547	2.2
86.09707	3.5
91.05486	27.8
93.07042	40.1
95.04976	10.3
95.08615	13.5
97.02893	3.5
97.06536	6.1
97.10172	4.4
105.04520	2.2
105.07038	18.4
107.04961	4.4
107.08603	15.8
109.02917	1.9
109.06501	3.3
109.10146	6.1
110.10517	1.2
111.04428	1.5
111.08075	2.9
117.07014	7.1
119.08585	11.6
121.06528	2.3
121.10113	6.7
123.08063	1.3
123.11705	1.7
124.99982	2.4
127.03925	1.8
129.07001	7.8
131.08594	6.4
133.10135	9.4
135.08093	1.2
135.11690	5.0
139.38521	1.2
140.50468	1.2
141.06964	1.5
143.08566	2.8
145.10156	3.9
147.08070	2.1
147.11708	14.7
149.13289	6.4
157.10161	1.6
159.11725	4.5
161.09647	2.5
161.13245	3.1
163.11183	1.5
164.18031	1.1
171.11676	7.9
177.12825	2.3
184.07347	12.0
189.12762	3.8
195.13782	3.3
207.13786	9.5
269.17499	17.9
275.20047	2.0
281.17456	21.3
456.83090	1.2
475.30585	100.0
476.30710	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	3.1
51.23665	2.6
53.03957	14.3
55.01876	13.6
55.05273	3.1
55.05515	53.1
57.03450	14.8
57.07073	4.0
65.03934	10.8
66.82902	2.5
67.05508	100.0
69.03436	16.7
69.07076	25.0
69.19022	17.2
69.19447	10.6
71.01321	3.0
71.04978	8.9
73.02908	2.7
79.05495	85.3
81.03423	72.4
81.06588	5.4
81.07058	86.5
83.04976	12.1
83.08625	20.0
85.02881	5.7
85.06535	4.1
91.05483	88.8
93.06489	6.1
93.07045	81.0
95.01299	2.8
95.04970	93.4
95.08059	4.9
95.08610	54.4
97.02882	9.6
97.06512	8.0
97.10172	21.8
99.04449	3.9
103.05465	9.1
105.04486	5.3
105.07039	65.3
107.04974	26.4
107.08588	43.1
109.02867	9.8
109.06554	12.9
109.10162	23.7
111.04440	12.6
111.08091	5.0
113.00011	2.8
115.03951	2.6
115.05454	10.4
116.06264	3.5
117.07015	30.8
119.04936	8.1
119.08582	37.3
121.02892	12.7
121.06527	17.9
121.10152	29.6
123.04415	9.5
123.08052	9.4
123.11691	6.4
125.09654	15.9
127.11217	2.8
128.06189	7.5
129.07019	23.8
130.07712	3.6
131.04898	12.8
131.08575	35.2
133.00340	3.0
133.06467	14.4
133.10129	28.9
135.04424	5.1
135.08058	11.2
135.11690	17.5
137.02379	3.8
137.05977	5.4
137.09625	6.0
138.87195	2.7
141.06996	8.3
143.08568	23.3
145.06488	23.0
145.10144	28.8
147.04428	16.8
147.08012	9.6
147.11679	18.8
149.06013	10.3
149.09720	6.1
149.13226	8.2
151.07425	2.8
153.06943	4.1
155.08592	17.0
157.05165	2.8
157.06511	10.9
157.10115	11.4
159.08069	9.7
159.11736	13.8
160.05225	4.1
161.05991	15.7
161.09639	14.2
161.13292	7.5
163.07666	3.2
163.11177	18.2
163.14809	2.8
165.06989	4.5
167.08498	6.0
168.09341	3.0
169.10165	15.5
171.08022	6.8
171.11693	10.6
173.05995	10.8
173.09666	9.0
173.13257	8.2
174.06749	12.2
175.07553	6.4
175.11218	4.2
177.12715	5.1
179.08626	5.2
181.10101	7.8
182.07143	3.4
183.08034	7.6
183.11670	10.4
185.09593	5.6
185.13298	7.1
187.07538	9.5
187.11168	4.3
189.05524	12.4
189.09230	3.2
189.11240	9.4
189.12788	5.9
193.10249	4.5
193.12263	5.7
195.08002	3.9
195.11708	10.3
195.77031	2.8
197.09590	7.9
197.13297	6.8
199.07588	2.9
199.14899	4.2
201.12686	4.4
203.10616	4.7
203.14409	3.6
205.10349	4.2
205.12267	9.0
207.11716	3.2
211.11166	4.9
213.12703	5.8
215.14360	3.0
223.13206	5.0
225.12701	5.0
227.12663	4.1
231.13881	3.0
241.19360	2.7
255.13757	6.5
257.15424	4.6
257.18945	3.6
259.20569	9.1
267.15979	6.7
271.13312	4.1
273.14862	45.7
275.20145	3.3
283.13306	6.3
285.14752	5.3
289.14401	4.4
291.19553	4.4
301.14371	39.3
303.15970	23.7
307.28275	3.4
319.15256	18.5
333.24347	6.5
335.25888	29.0
345.16599	2.7
347.18750	6.4
375.17932	10.5
377.19296	4.1
393.19012	11.2
543.34760	6.2
555.36890	3.4
561.35614	4.3
579.37091	3.7
581.38300	3.6
602.34052	3.6
605.38074	4.7
617.38409	9.1
623.39435	12.3
635.39502	43.2
653.40509	33.6
671.30347	5.4
671.41559	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	3.1
53.03945	15.1
55.01876	14.6
55.05514	44.3
56.64338	2.6
57.03426	9.8
57.07065	2.8
61.36606	2.6
65.03920	8.4
67.05508	100.0
69.03439	16.5
69.06782	2.5
69.07071	27.4
69.24276	2.5
70.66816	2.7
71.04990	6.9
71.51681	3.8
79.05498	86.1
81.02987	4.4
81.03424	62.6
81.06591	4.3
81.07058	87.0
83.04989	15.6
83.08625	19.3
85.02909	7.6
85.06527	6.6
87.17689	3.3
91.05486	92.3
93.06484	5.5
93.07048	81.6
94.07383	3.2
95.04971	63.7
95.08609	55.1
97.02882	10.9
97.06521	11.0
97.10162	11.3
99.04434	5.3
103.05461	4.5
105.04537	4.3
105.07032	63.2
107.04970	24.8
107.08601	44.6
109.02888	7.2
109.06541	13.5
109.10182	24.0
109.82993	2.8
111.04443	15.5
111.08076	6.7
115.05466	8.4
117.07017	35.7
119.04910	7.5
119.08576	38.1
121.02863	10.5
121.06489	22.3
121.10165	27.5
123.04404	6.8
123.08040	7.7
123.11688	5.1
125.09624	13.0
127.03960	4.4
128.06215	10.8
129.07008	24.2
131.04947	12.9
131.08588	38.0
133.06487	12.4
133.10150	27.0
135.04396	3.7
135.08026	11.9
135.11699	20.0
137.05994	6.1
137.09605	6.6
137.13231	2.8
141.06932	9.1
142.07756	7.6
143.08554	22.9
145.06503	20.7
145.10126	24.9
147.04408	10.0
147.08047	11.1
147.11707	19.3
149.05968	4.9
149.09618	7.0
149.13235	10.6
151.07520	3.1
151.11238	3.6
153.06952	3.7
155.08539	16.5
157.06416	3.3
157.10106	15.1
158.05702	2.7
159.08038	12.0
159.11736	19.0
161.06020	13.1
161.09599	8.2
161.13255	7.5
163.07559	5.5
163.11174	19.6
165.12784	4.7
166.07756	3.7
167.08542	8.8
169.06412	4.7
169.10135	12.9
171.08041	8.3
171.11703	11.6
173.05972	11.4
173.09625	6.4
173.13243	10.9
174.06761	8.7
175.07486	4.4
175.11185	6.0
177.12721	4.9
179.08597	6.5
181.10129	10.2
183.08025	5.6
183.11699	9.9
185.09587	8.1
185.13257	7.6
187.07558	5.5
187.11150	6.0
187.14772	3.4
189.05444	8.8
189.09106	2.9
189.11185	7.3
189.12849	8.0
191.08603	3.7
193.10100	8.0
195.07968	3.8
195.11705	9.4
195.13742	5.5
197.09578	7.0
197.13220	4.6
199.11148	3.7
199.14845	4.7
201.12592	4.1
203.14279	3.1
205.10304	3.6
205.12241	7.1
207.11737	5.7
207.13693	3.4
209.09666	5.6
209.13245	7.8
211.14944	5.5
213.12881	5.2
219.11652	3.4
225.12714	5.9
227.12692	3.1
255.13663	5.1
257.15213	3.4
259.20526	5.0
261.22083	3.1
267.15762	4.6
269.17447	3.8
271.13339	3.3
271.16873	3.5
273.14822	33.4
273.17661	3.9
283.13281	3.9
285.14761	3.5
291.16071	3.3
301.14346	29.8
303.16013	20.1
319.15201	13.0
335.25818	15.8
337.21436	3.5
339.23196	4.1
347.18341	5.8
355.22601	3.3
359.18427	3.7
367.22549	3.9
375.17944	5.3
377.20270	3.1
385.23856	5.9
393.19009	9.1
422.42264	2.9
455.27051	3.6
593.38062	4.3
617.37988	7.0
623.39160	9.4
635.39496	37.0
639.28278	3.2
653.40436	29.9
671.31189	5.0
671.41504	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	671.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.7
53.03945	12.7
55.01880	17.3
55.05272	3.1
55.05518	46.7
57.03436	13.7
59.05010	2.4
64.23629	1.9
65.03938	7.3
67.05509	100.0
69.03434	17.2
69.07075	29.8
71.04997	8.7
78.71652	2.0
79.05498	81.1
81.03426	57.9
81.07063	85.5
83.04980	12.7
83.08623	18.5
85.02921	6.5
85.06551	4.9
91.05489	81.4
93.07054	73.8
95.04976	64.2
95.08618	47.9
97.02870	11.9
97.06539	10.3
97.10169	14.3
99.04437	4.8
103.03994	2.3
103.05484	6.5
105.04520	2.6
105.07050	61.0
107.04964	30.8
107.08604	37.1
109.02893	9.0
109.06510	12.5
109.09460	3.7
109.10170	38.7
111.04440	12.5
111.08102	5.5
115.05453	5.7
117.07035	37.8
119.04941	6.6
119.08601	40.8
121.02873	9.3
121.06503	19.3
121.10154	24.8
123.04430	8.9
123.08061	10.8
123.11683	4.3
125.02371	2.8
125.09640	11.8
127.03924	4.1
128.06250	6.2
129.07013	24.6
131.04958	7.1
131.08577	36.8
133.06506	12.8
133.10147	26.6
135.08070	13.4
135.11717	16.5
137.06029	4.3
137.09637	4.6
139.03877	2.9
141.06963	10.9
142.07805	3.2
143.08586	19.3
144.09221	2.3
145.06520	12.5
145.10118	31.8
147.04436	9.7
147.08029	14.5
147.11668	14.5
149.06010	6.1
149.09633	10.4
149.13289	7.5
151.11201	3.9
154.07845	3.1
155.08569	11.0
157.06471	6.8
157.10081	15.1
158.07352	2.7
159.08052	8.5
159.11681	14.9
161.06033	10.6
161.09570	11.1
161.13272	7.6
163.07649	3.2
163.11220	16.4
165.06982	3.1
167.08575	6.2
169.10172	11.4
171.08142	6.7
171.11682	12.0
173.04594	2.1
173.05983	9.0
173.09633	6.1
173.11896	3.5
173.13237	11.4
174.06799	6.8
175.07538	2.7
175.11197	7.2
177.12737	5.5
178.07701	2.2
179.08546	4.4
180.09309	2.7
181.10141	8.5
183.06522	2.2
183.08023	3.6
183.11682	8.4
185.09567	5.7
185.13347	6.5
187.07573	5.6
187.11160	4.2
189.05470	7.8
189.11241	5.0
189.12804	4.6
191.10580	3.4
193.10280	3.5
193.12292	4.4
195.08092	4.0
195.11708	6.7
197.09636	6.3
197.13321	3.9
199.11281	4.8
201.12752	2.7
203.10689	2.4
205.12251	4.9
207.11751	3.2
209.09776	2.8
211.14900	3.2
213.12811	4.0
221.13274	2.6
223.13197	5.0
225.12737	3.0
233.15407	5.9
237.12906	2.9
249.14978	3.4
257.15494	3.1
259.20673	3.4
267.15952	4.6
269.17487	2.6
273.14877	22.8
273.18436	7.0
275.20142	4.1
283.13406	3.3
285.14914	4.6
289.14288	4.2
289.17770	2.6
291.16422	3.3
291.19528	18.2
301.14456	24.3
303.16006	9.2
319.15375	8.7
327.23328	2.6
333.24588	3.2
335.25870	16.1
338.73819	2.4
339.19485	3.1
347.18399	3.9
351.23270	3.1
369.24246	3.6
375.18011	7.0
377.19778	2.8
383.24292	7.0
393.19165	7.0
530.39111	7.7
543.35413	2.6
579.36377	4.6
587.67487	2.6
593.38141	4.1
597.37897	5.6
605.38440	3.1
617.38165	4.5
623.39148	8.3
625.37762	14.0
635.39343	30.3
649.99359	2.6
653.40375	19.9
671.31702	4.5
671.41626	59.6
675.77185	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	671.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65958	1.0
67.05523	7.0
69.07064	1.5
69.81285	3.6
69.81703	1.8
71.04983	0.9
71.08656	1.2
79.05482	4.6
81.03416	2.9
81.07053	6.7
83.05003	1.9
83.08633	1.5
84.04521	2.7
91.05494	3.7
93.07036	4.7
95.04964	1.6
95.08617	2.7
97.06538	1.5
98.21529	1.0
105.07039	3.1
107.08603	2.2
109.10163	2.6
117.07066	1.3
119.08666	1.3
121.10164	1.5
122.09612	1.0
123.08086	1.5
131.08598	1.8
133.10173	2.4
145.10155	1.3
159.11736	1.2
179.14319	1.4
203.77400	1.1
209.10820	1.4
223.12312	1.4
233.10855	1.3
235.12325	1.1
237.14052	1.5
238.14758	1.4
251.15437	1.3
276.51175	1.6
291.19519	1.6
350.16006	1.3
364.17664	1.7
365.17990	1.4
376.16977	1.6
377.17825	2.9
378.18497	1.3
379.19330	5.3
391.19437	3.7
392.20270	2.6
393.20978	2.9
394.21600	3.5
403.19031	1.5
404.20313	1.5
405.16403	2.3
405.20889	3.3
406.17422	2.3
415.19397	1.6
419.18240	2.1
421.19824	2.7
422.20972	5.7
423.21710	3.3
424.22299	2.6
432.19461	2.2
433.20166	3.8
434.21042	2.1
435.22333	1.7
436.22675	2.3
437.23370	4.5
445.20090	4.8
446.20908	2.0
447.21710	4.7
448.23190	1.6
449.24222	5.4
450.20276	6.0
451.21393	2.4
459.21796	3.2
460.22504	2.4
461.23315	4.9
462.20261	1.2
463.21442	3.2
465.23016	5.8
467.24228	3.0
474.23984	4.2
476.22128	5.6
477.19000	7.5
477.23444	3.7
478.20239	3.0
480.25516	2.0
488.21655	2.1
489.22992	2.2
490.23679	2.5
491.20731	1.9
493.22668	2.0
495.23792	3.2
501.22842	2.0
502.20633	1.4
504.21497	2.1
505.22058	2.0
508.24600	3.6
509.25101	3.1
510.26321	2.6
522.26477	1.6
523.23901	2.2
529.21881	1.5
533.25397	5.6
534.26239	1.8
535.26697	4.7
536.24237	3.2
537.24847	2.5
538.25830	5.2
539.25861	1.3
545.25092	2.9
549.21375	1.5
551.26654	8.3
559.37756	1.9
561.24829	5.1
563.26459	17.2
564.23590	29.6
565.24280	7.0
568.26251	1.5
579.26129	6.7
589.24194	9.8
589.57678	1.5
593.27295	4.7
595.28864	3.0
607.25470	56.6
608.25879	2.1
611.28650	31.6
612.28809	2.4
621.26886	1.3
623.65552	1.2
639.28156	100.0
640.27997	3.1
671.30426	9.2
671.41290	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	671.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03193	3.3
53.03939	10.1
55.01871	13.1
55.05514	38.6
57.03423	13.3
59.04988	4.4
65.03934	4.5
67.05506	53.0
69.03442	20.0
69.07065	13.1
69.51632	6.2
69.52036	20.1
71.04987	14.0
79.05502	51.2
81.03419	87.9
81.07058	56.0
83.04990	27.9
83.08616	29.4
85.02908	14.1
85.06551	6.0
86.42333	3.3
91.05484	40.2
93.07049	35.2
95.04977	28.8
95.08098	4.2
95.08606	26.9
97.02888	21.3
97.06523	9.5
97.10169	26.2
98.00349	2.8
99.04465	8.1
105.07039	34.7
107.04960	19.9
107.08598	28.4
107.88046	3.1
109.02900	9.5
109.06521	11.6
109.10181	16.8
111.04450	10.6
111.08083	7.8
117.07027	15.4
119.08598	24.2
121.06497	18.2
121.10122	17.9
123.08094	7.9
123.11730	5.0
125.09614	20.4
127.03935	6.6
129.05489	8.5
129.07005	13.2
131.08575	18.7
133.06508	6.4
133.10146	9.2
135.04424	3.9
135.08009	8.2
135.11711	7.8
143.08563	7.1
145.06465	9.6
145.10106	10.9
147.08072	6.3
147.11687	14.0
149.09625	10.2
150.22330	4.0
153.09106	5.5
155.08572	4.1
157.10115	11.0
159.08051	5.4
163.11188	9.6
171.08174	5.9
171.11726	6.9
173.04492	10.5
175.11218	12.2
184.07471	3.9
185.13168	5.6
187.11375	4.6
187.14778	4.8
189.11249	9.4
193.12242	29.9
199.11290	4.1
209.11794	4.5
211.13287	23.2
215.14252	6.1
219.13733	7.3
227.12761	15.7
229.14291	4.4
231.13928	3.9
233.15372	12.9
235.13278	3.8
237.14548	4.2
249.14876	9.2
267.15973	32.5
273.14734	5.6
283.15347	4.6
285.16803	4.3
339.23242	3.8
340.27298	4.6
349.21765	7.8
357.24234	4.3
367.22647	24.7
385.23712	36.3
403.24695	12.4
441.26065	8.1
459.27396	100.0
477.28497	80.4
491.29938	19.4
492.18649	3.9
509.31305	15.8
621.32758	6.3
653.35083	5.6
676.13525	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	671.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.4
55.01866	1.2
55.05509	3.9
57.03429	1.4
65.03929	0.8
67.05505	9.8
69.03423	2.1
69.07058	1.7
71.04990	3.1
73.08776	0.6
79.05496	5.5
81.03420	7.5
81.07063	9.0
83.04979	2.8
83.08616	2.4
85.02902	2.1
85.06522	0.9
86.24069	0.6
87.04475	0.7
91.05493	5.5
93.07066	5.8
94.06557	0.9
95.04967	2.7
95.08617	3.0
97.02896	3.0
97.06523	1.1
97.10173	1.5
98.21550	1.1
99.04472	0.8
102.06561	0.7
105.07015	3.2
107.04947	1.7
107.08619	3.3
107.09221	0.6
108.08121	7.0
109.02895	2.2
109.06498	1.0
109.10149	3.5
111.04451	1.5
111.08049	0.7
117.06967	0.6
119.08595	2.9
121.06561	0.8
121.10157	1.4
125.09634	1.3
127.03930	1.5
129.07028	1.2
131.08588	1.6
133.10117	1.4
135.08070	0.8
135.11687	2.5
136.07585	10.7
145.10107	1.5
147.11725	1.1
149.09637	0.9
157.10118	0.8
162.05418	0.6
163.11180	2.0
164.07068	1.3
173.04471	1.2
177.12787	0.9
181.12219	0.8
204.10138	1.0
209.11783	2.3
222.14931	0.8
227.12686	3.2
229.14404	2.0
235.08748	2.0
237.10248	2.8
248.09459	1.4
249.10193	5.0
250.10948	0.8
251.11980	1.0
261.10333	1.2
263.08234	1.4
263.11713	0.8
264.08994	1.8
265.09711	4.4
266.10455	0.8
267.15930	1.3
276.09018	3.1
277.09744	6.5
278.10480	2.3
279.11285	2.2
281.09644	0.6
283.15491	2.1
291.07974	0.9
291.11328	1.3
292.08484	1.0
293.09207	2.2
293.12701	1.1
294.09970	0.7
299.10394	0.8
304.08472	1.5
305.09351	3.0
307.10751	3.7
309.12363	0.9
315.13382	1.0
319.10770	9.1
321.12604	1.0
325.12064	1.9
326.12830	1.8
326.16486	0.7
328.14420	0.7
333.08649	1.5
335.10229	1.4
337.12097	1.0
338.12958	1.4
339.13773	1.6
340.10873	0.7
340.14459	1.7
342.12369	0.8
342.16165	1.5
347.10214	3.2
351.09760	2.3
352.10864	1.0
352.14688	0.7
353.11414	2.5
354.12332	3.9
354.15915	1.4
355.13235	1.7
356.13797	3.4
365.11383	7.5
366.12402	2.6
367.13174	2.6
368.13992	5.6
369.14944	1.4
370.15662	3.5
371.16187	0.9
372.17062	1.3
379.13519	0.9
380.14117	1.4
381.10828	1.5
381.15161	1.0
382.11420	3.3
382.15747	2.5
383.12375	1.4
384.13397	3.1
384.17606	0.8
385.13995	0.9
386.14786	1.0
394.11911	1.1
395.12708	1.6
396.13354	5.6
397.14313	0.9
398.15253	4.2
400.16656	2.0
401.17429	0.7
410.10419	0.9
410.15674	3.5
411.11938	1.0
412.12292	1.2
412.17020	1.4
414.14032	1.7
414.18781	1.3
424.12827	1.9
426.14584	2.5
428.16626	3.2
429.17264	1.5
437.25333	1.3
440.16196	2.1
442.13727	1.5
444.19357	1.3
445.16809	0.8
452.12091	1.1
456.15622	2.3
457.16214	0.7
458.17621	1.3
459.27603	2.3
460.18646	1.5
470.13602	2.4
473.28763	0.9
474.16074	0.9
477.28546	2.6
484.15231	2.0
486.16528	1.4
488.18176	3.1
498.16748	1.5
503.20895	1.3
509.31998	1.1
516.17651	23.5
517.18408	21.2
518.19232	2.6
548.20319	100.0
549.20898	3.9
563.22809	2.1
579.22345	0.9
589.20905	5.1
607.21906	12.8
653.34698	0.8
671.33533	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
53.37860	0.7
55.05505	1.6
57.07065	1.8
67.05501	3.7
69.03434	1.4
69.07065	1.5
71.04984	1.1
71.08617	1.5
78.26468	0.7
79.05487	3.1
81.03406	3.0
81.07053	3.6
83.04991	2.1
91.05471	2.7
93.07042	3.0
95.04993	1.3
95.08604	3.3
105.07050	1.3
119.08575	2.2
129.05486	1.1
129.07094	0.8
131.08537	1.2
140.36047	0.8
171.11572	0.9
179.14371	1.1
194.09511	0.8
221.10869	0.9
229.19989	0.9
249.10037	0.9
273.59131	0.8
309.97516	0.8
312.10846	0.8
349.90265	0.8
375.16006	1.4
387.16037	1.4
388.17087	0.9
389.17947	1.7
390.18698	1.5
391.19141	2.6
401.17670	2.7
402.18701	1.6
403.19455	1.6
404.16077	1.3
405.21011	1.8
415.19144	3.2
416.20117	1.1
417.21051	1.1
419.18481	4.2
428.16223	0.9
429.16882	1.8
430.17722	3.0
431.18652	3.6
433.20566	4.5
434.20630	1.2
435.21417	1.2
443.18274	2.2
444.19727	4.1
445.20370	14.5
446.20807	2.7
447.17236	5.4
457.15567	1.1
457.24301	1.1
459.22430	8.7
460.22806	19.8
461.23886	1.4
462.20560	3.0
471.17175	1.0
471.22482	1.3
472.22510	4.5
473.24011	8.1
474.23926	9.8
475.21515	3.0
476.22482	4.9
485.19904	2.4
486.20383	2.5
487.21432	4.9
488.22388	7.4
489.22714	3.4
490.20120	1.3
491.21030	1.0
493.22510	1.2
499.21783	4.7
500.22537	3.9
501.23181	12.7
502.24155	1.5
503.21225	1.7
504.21692	1.5
507.23834	3.4
508.24127	1.6
509.25415	1.8
513.19226	1.5
517.22528	1.4
518.19293	24.2
519.19733	1.6
527.20587	3.9
529.22357	4.7
531.24036	11.9
532.24811	1.8
533.25665	9.5
534.22174	1.8
535.23193	3.0
545.21777	1.1
549.25061	6.1
559.23254	2.9
561.25000	64.8
562.23389	1.8
563.22620	2.8
577.24548	5.3
581.27051	1.3
587.23114	8.6
588.21936	1.2
593.27722	8.2
605.23962	100.0
606.24121	3.6
609.27167	13.0
619.25555	7.4
624.08527	1.0
637.26581	54.6
638.26752	2.2
668.44409	1.2
669.29340	6.2
669.44696	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	671.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.5
57.07077	1.4
67.05505	5.5
69.03420	2.3
70.17657	5.4
79.05496	3.9
81.03415	3.2
81.07059	5.4
90.09098	1.3
91.05489	2.6
93.07056	5.0
94.06631	1.4
95.04980	4.1
95.08614	2.6
97.10241	1.3
105.07050	1.8
107.08604	1.6
109.10165	2.2
116.98873	1.2
117.07081	1.8
119.08590	2.4
120.08085	1.9
121.10161	1.5
144.08133	1.4
182.09741	1.7
209.10762	1.5
213.06656	2.1
221.10777	2.2
223.12466	2.0
233.10880	2.6
235.08769	1.5
235.12367	2.8
237.10350	5.6
243.11322	8.7
247.12564	1.8
249.10284	2.4
249.13824	1.5
251.11807	2.1
261.10287	3.0
261.14182	1.9
263.11884	4.1
269.29263	1.6
275.11899	4.6
276.11429	2.2
277.13257	1.5
287.11740	1.2
288.12198	1.9
289.13458	3.0
290.13416	2.6
291.11047	1.4
298.13596	1.6
302.12939	1.9
303.13882	1.5
304.14929	2.2
306.13568	2.0
307.14542	2.2
316.14368	3.0
318.12589	2.6
321.16080	2.7
324.15240	1.5
326.13025	1.6
328.14648	2.8
332.14133	3.7
333.14813	6.0
334.15710	1.5
337.15567	2.4
338.16553	1.5
350.16168	2.1
362.16495	1.8
363.16748	1.8
365.18109	2.0
377.18002	2.0
379.15668	2.7
391.15182	1.8
393.17236	5.9
395.18826	5.3
397.17740	3.5
403.15433	2.6
405.17029	2.2
407.18857	5.2
408.19839	2.5
409.20459	4.1
417.08359	1.4
417.16992	3.3
418.18094	2.1
419.18817	4.0
421.20413	4.5
423.18460	4.5
429.17084	1.9
430.18076	1.7
431.18814	2.8
433.21048	2.2
435.18250	5.8
436.18961	3.1
437.19748	19.4
438.20929	4.3
445.20819	3.3
447.17728	2.7
449.19443	11.8
450.20703	6.5
451.21402	5.2
453.23157	4.9
454.23737	2.5
460.18701	2.3
461.19519	2.0
463.21606	8.8
464.22824	6.7
465.23474	2.5
468.17923	5.6
469.26132	2.1
474.24448	2.0
475.21371	11.9
476.19257	2.3
477.18881	3.8
478.20264	3.0
479.20367	3.0
481.22375	2.4
482.23297	1.6
491.20776	10.9
492.21671	5.9
493.22327	4.5
497.25610	6.5
507.20593	6.2
508.24661	4.0
509.21613	9.6
510.22858	3.2
511.27832	1.6
512.27960	2.7
517.02148	1.8
519.20532	1.7
522.22552	26.8
523.23425	18.1
524.24292	21.8
525.25079	11.0
533.21466	3.4
535.23901	5.0
537.21313	2.1
538.26392	2.2
539.26654	3.2
540.27191	8.4
549.25238	1.6
551.22955	40.6
552.23663	7.8
567.26172	7.7
569.24371	2.5
579.22760	6.2
584.26123	2.9
589.24652	5.1
595.25159	6.5
596.23108	1.8
597.23907	4.9
599.28632	2.7
609.27161	7.8
611.25079	100.0
612.26031	6.3
621.23553	3.0
627.28119	30.1
639.24445	76.7
640.24646	3.0
653.28979	2.3
671.30817	71.9
671.40820	2.8
672.31348	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.9
55.01876	1.9
55.05279	1.1
55.05509	8.2
57.03441	14.6
57.12188	0.9
59.04996	3.7
61.02913	1.5
65.03919	1.3
67.05509	78.4
69.03420	2.9
69.07067	3.7
71.04997	4.9
71.24557	2.2
77.43093	1.1
79.05500	10.7
81.03424	59.9
81.07056	15.6
83.04969	4.3
83.08623	16.2
84.08137	1.0
85.02911	2.4
85.06557	3.2
91.05478	13.7
93.07038	10.1
95.04977	15.3
95.08606	7.1
97.02892	2.4
97.10184	1.7
104.30625	1.0
105.07047	11.0
107.04964	4.3
107.08611	6.4
109.02879	1.3
109.06495	2.9
109.10165	70.3
111.04504	2.1
111.08098	7.1
112.86864	1.0
113.06033	0.9
117.07061	1.1
119.08592	13.5
121.06520	2.1
121.10165	4.5
123.08096	1.8
125.09621	2.2
129.07024	5.4
131.08574	3.7
133.10172	2.4
135.11746	1.4
137.09590	4.0
142.07806	1.7
145.10158	2.5
145.45856	1.3
147.08047	3.8
147.11682	3.9
149.09624	3.4
155.10703	7.7
157.10103	6.8
158.03828	1.1
163.11140	1.7
165.12790	1.8
173.11774	19.0
175.11221	8.1
193.12267	18.0
207.13835	1.2
211.13329	2.8
229.14368	98.4
230.14616	1.4
249.14705	1.3
267.15930	86.2
268.16162	1.4
301.14227	1.1
309.17154	1.4
329.21133	2.9
348.22595	1.1
403.24701	11.1
421.25870	100.0
422.26147	4.3
463.26834	2.0
547.29144	1.8
558.98053	1.3
598.00830	1.2
699.21826	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2922
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
55.05507	4.1
57.03445	2.0
57.07067	5.8
67.05499	5.6
69.07075	1.9
71.08633	4.3
71.51628	1.9
75.45881	1.4
79.05511	7.0
81.03436	7.2
81.07034	8.3
83.03834	1.7
83.04980	2.6
83.08593	1.6
85.02906	2.4
85.10165	1.4
91.05493	5.7
93.07061	4.5
95.04987	2.6
95.08613	3.6
97.02911	2.9
97.10133	1.7
105.07033	3.9
107.08591	2.1
109.06532	1.7
109.10184	3.8
118.36029	1.3
119.08582	2.0
121.10145	2.3
127.03948	1.5
129.05457	1.5
131.08522	2.0
133.10149	1.7
174.05573	3.7
192.06621	3.5
202.05023	12.9
211.13312	1.4
220.06059	2.4
233.10789	2.6
234.07628	13.3
272.12180	1.5
274.13409	2.4
286.13428	4.6
288.14902	2.2
300.15024	2.7
302.16534	3.1
313.27408	3.3
314.16684	1.4
316.18054	2.8
326.12457	2.0
326.74112	1.4
327.13205	1.8
328.14560	2.9
330.15799	1.6
342.15726	1.7
371.33237	1.7
401.17740	2.5
402.18228	3.9
403.19028	4.7
415.19363	4.1
416.19803	4.5
417.20627	6.5
418.21555	2.2
429.20911	2.4
430.21384	4.4
431.22601	2.4
445.19965	1.7
458.21323	1.6
459.22107	2.3
473.20078	1.5
481.38870	2.1
487.21277	3.4
488.22488	1.7
489.19351	5.9
491.20795	5.9
501.22897	5.4
503.20288	2.5
507.20618	7.2
521.21912	10.0
535.23242	4.0
549.21045	1.7
559.23236	9.2
560.25446	1.7
561.25201	9.2
563.22894	9.6
564.23444	9.2
576.23260	1.9
577.24347	2.1
579.22290	2.3
587.23346	2.5
591.25897	3.1
593.27783	2.9
605.23956	6.3
619.25586	38.3
620.26080	5.8
622.23840	4.2
637.26569	55.3
638.26678	2.3
643.36951	1.5
651.28156	100.0
652.28180	4.6
652.72638	1.6
667.92651	1.6
669.28796	2.2
669.43311	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3304
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
55.01883	0.8
55.05510	1.9
57.03444	2.2
61.02943	3.1
65.03948	0.8
67.05509	7.4
69.03439	3.3
69.07067	1.2
69.17120	0.6
69.17522	4.5
71.01350	0.7
71.04997	1.6
73.02912	2.4
74.84000	0.4
75.16324	0.5
79.05500	4.3
81.03426	5.5
81.07059	3.7
83.04982	1.5
83.08636	1.2
85.02908	5.0
86.09669	0.5
88.09442	0.5
91.04003	2.2
91.05492	3.8
93.07050	5.1
95.04971	2.4
95.08614	1.7
97.02893	3.7
97.06555	1.2
97.10185	1.6
98.20786	0.8
98.21459	1.5
99.04432	1.3
101.02380	2.0
103.03958	0.7
105.07028	2.5
106.34808	0.4
107.04982	1.0
107.08621	3.1
109.02897	1.8
109.10161	1.7
109.83969	0.5
109.92913	0.4
111.04494	1.0
111.08083	0.7
111.25903	0.4
117.07026	1.5
119.08587	1.9
121.06516	0.5
121.10096	1.0
123.08080	0.8
127.03941	1.3
129.07016	0.8
131.08580	1.3
133.06535	0.7
133.10121	1.3
135.11696	4.5
137.14554	0.5
145.10144	1.6
147.11768	0.8
149.09616	0.6
163.11195	1.0
166.87457	0.5
181.12253	0.9
184.07338	0.6
193.12288	0.8
195.08081	0.4
198.23718	0.4
202.16071	0.4
203.05225	0.7
221.11592	1.0
243.08467	2.1
251.12529	0.9
255.16275	0.4
277.14236	0.9
307.15207	0.6
439.19391	8.5
469.20508	3.4
667.33032	100.0
668.33392	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	667.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.6
53.00288	1.5
53.03954	8.4
53.59810	1.3
55.01872	4.8
55.05268	1.7
55.05512	23.7
56.72762	1.0
57.03432	9.5
57.07079	54.8
57.67192	1.2
58.39721	1.2
65.03940	4.1
66.97981	1.4
67.05508	36.5
69.03436	21.3
69.07077	18.0
69.50160	7.9
71.04992	9.6
71.08635	37.4
73.02914	1.7
79.05498	23.9
81.03423	100.0
81.07056	49.4
83.04972	16.2
83.08622	30.5
85.02908	14.8
85.06537	1.7
85.10189	16.9
86.09713	1.4
91.05482	33.4
91.43132	1.3
93.07058	19.3
95.04973	22.9
95.08611	40.8
97.02899	28.1
97.06552	3.6
97.10178	9.6
98.20824	2.9
98.60532	1.3
99.04460	9.1
99.08102	3.0
105.07040	23.5
107.04962	8.5
107.08594	6.1
109.02885	22.5
109.06538	5.7
109.10173	15.1
111.04458	12.8
111.08096	5.8
115.05474	1.3
117.07046	4.1
119.08598	16.4
121.06520	3.0
121.10133	9.3
123.04467	2.9
123.08114	2.1
123.11700	8.8
127.03918	16.6
128.06288	2.4
129.07002	10.1
131.08525	7.0
133.06525	3.9
133.10147	8.1
135.08089	1.5
135.11752	2.5
142.07846	2.0
143.08595	1.8
145.06532	2.1
145.10161	3.4
147.08046	2.9
147.11673	20.0
149.06020	1.6
149.09650	5.0
153.12846	2.0
155.08571	1.9
157.10121	9.3
158.53848	1.3
159.67355	1.4
163.11246	5.7
165.12761	8.1
167.08626	1.8
171.11702	2.3
173.04547	2.4
173.09567	1.3
175.11176	9.7
181.12294	3.3
184.07381	3.7
189.12801	1.3
191.10690	3.4
193.10674	1.2
193.12256	33.4
209.11697	2.2
211.13297	49.8
223.13339	1.4
227.12828	5.2
229.14362	2.2
235.13370	2.8
239.23734	10.1
255.13786	1.8
258.18533	1.2
259.13293	1.7
267.15985	16.0
273.14935	4.0
285.17017	3.6
299.42953	1.3
301.14386	3.9
313.27365	37.5
319.15414	1.9
325.27371	1.3
337.16479	6.9
355.17505	9.9
357.36322	1.2
365.27045	1.6
383.28043	2.7
393.19196	2.2
411.20078	12.3
485.95215	1.6
505.38806	7.5
515.57825	1.3
523.39874	16.9
547.41125	1.3
575.23029	2.8
635.25079	1.8
649.43469	4.2
667.44232	90.5
668.44391	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	666.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
55.01883	3.9
55.05510	25.3
57.03438	11.2
57.07072	20.4
65.03937	7.0
67.05508	100.0
69.07066	27.0
71.00536	5.0
71.08632	30.1
79.05499	49.0
80.17807	2.8
81.07066	97.8
83.04987	9.4
83.08628	20.5
85.06577	6.5
85.10217	3.0
91.05486	40.0
93.07048	55.3
95.04961	7.1
95.08613	71.3
97.06516	8.8
97.10165	7.0
99.08106	20.9
105.07027	21.1
107.08594	25.7
109.06534	3.9
109.10165	21.7
111.08067	5.7
113.09641	5.4
115.99363	2.5
117.07014	8.7
119.08575	13.2
121.10174	18.9
123.11705	9.8
130.08681	4.5
131.08568	13.8
133.10146	15.2
135.11671	13.7
137.13272	5.2
139.11179	3.6
145.10139	7.5
147.11705	13.8
149.13275	11.9
151.11194	6.1
159.11658	7.9
161.13266	8.1
163.14807	6.1
165.12732	6.3
171.11798	4.7
172.68364	2.9
173.13268	4.4
196.39725	2.9
227.12994	3.8
243.21072	4.7
259.20743	4.2
261.22180	9.8
263.23932	3.1
269.17459	9.9
277.21756	7.0
279.23245	14.8
291.19589	4.7
328.08212	5.5
329.08356	4.0
335.25858	7.9
337.27429	28.4
341.26901	4.9
351.25278	7.4
353.26898	23.5
353.45563	2.9
384.14444	3.3
385.14813	4.9
441.20755	4.4
497.27145	6.3
498.27130	4.4
531.40442	87.1
532.40704	3.7
554.33405	10.8
610.39954	5.3
612.75702	3.1
613.48682	4.6
631.49176	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53411	1.7
67.05504	5.0
69.07078	3.3
71.20161	1.3
79.05503	2.9
80.05111	1.1
81.03419	1.4
81.07066	3.8
91.05495	2.9
93.07053	3.6
95.08598	1.8
105.07046	2.1
107.08604	2.7
109.10150	3.2
118.06552	2.7
144.08125	4.4
145.08563	1.7
152.33278	1.6
156.08064	1.4
158.09651	2.0
209.10899	1.6
221.61247	1.8
230.15317	4.0
231.15858	1.8
251.11890	1.7
256.17010	8.1
257.17310	6.6
274.18021	14.5
275.18359	5.9
313.27368	2.8
314.27563	1.8
354.14880	3.5
355.14792	2.0
363.16238	2.0
377.17505	7.5
378.18549	2.0
389.17908	3.2
390.18622	1.8
391.19110	11.4
392.19931	4.5
404.19922	1.7
405.16385	1.8
405.21017	3.5
406.21683	3.4
407.22516	9.5
419.18338	5.5
419.23166	2.0
420.19299	3.2
431.18750	3.5
433.19974	2.9
434.21011	3.2
435.21930	10.6
436.18625	2.0
445.20557	2.9
447.22256	2.2
450.20905	1.6
451.21396	10.0
459.18271	5.4
465.23343	3.8
466.19641	1.7
469.37851	1.8
473.19858	4.5
474.20670	3.9
479.20773	32.7
489.22681	5.0
493.22147	7.5
494.23230	5.7
501.19357	4.1
502.19904	2.0
505.18872	6.1
506.19510	2.7
515.20679	5.0
516.21783	2.6
517.22418	75.5
518.22772	3.4
521.25549	3.1
549.25024	80.6
550.24829	2.5
565.24072	3.4
569.44086	3.0
575.22925	9.1
576.23798	1.7
580.26654	3.2
593.24188	18.9
607.25574	9.5
608.26611	16.3
617.24030	3.9
635.25043	100.0
636.25201	4.2
649.26221	2.8
666.41064	4.9
667.27423	57.3
667.41425	20.2
668.28534	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	665.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.4
55.01880	10.3
55.05516	29.6
57.03443	10.8
57.07072	2.8
59.05005	3.0
65.03928	6.4
67.05509	100.0
69.03432	23.9
69.07069	18.2
69.20710	9.2
69.21140	7.6
71.04989	7.6
73.44144	2.0
79.05496	34.5
79.88145	1.6
81.03427	45.0
81.07063	56.4
83.04989	16.7
83.08627	13.3
85.02912	8.9
85.06516	3.5
91.05489	37.7
93.07055	32.0
95.04959	7.9
95.08616	25.7
97.02893	14.9
97.06532	11.4
97.10179	8.7
99.04458	6.0
99.08092	3.6
103.05434	1.8
105.04506	2.2
105.06394	3.1
105.07038	37.8
107.04937	9.4
107.08607	25.8
109.02879	12.5
109.06512	8.4
109.10169	56.5
111.04441	6.6
111.08070	6.5
113.09650	2.1
117.07024	15.6
119.08591	30.7
121.06499	6.3
121.10168	13.0
123.08077	7.6
123.11688	6.7
125.09582	8.7
127.03944	11.5
128.06184	3.6
129.05466	6.7
129.07024	9.9
131.08588	19.6
133.06432	2.8
133.10164	19.4
135.08054	7.5
135.11705	8.3
137.09598	5.9
141.06882	2.3
143.08556	6.4
145.06367	1.7
145.10136	18.2
147.08018	3.8
147.11662	11.9
149.09601	9.1
151.07568	3.3
151.11182	4.5
153.09088	2.5
153.41141	1.8
155.08589	3.9
155.10661	6.3
155.76672	1.7
157.10141	6.8
159.08083	3.6
159.11707	12.4
161.09601	5.6
161.13257	5.9
163.11174	6.2
165.12767	2.8
166.05304	1.7
169.10049	3.2
171.11717	7.0
173.04471	6.9
173.09673	4.9
173.11722	13.8
173.13249	6.6
175.11206	3.4
177.12654	3.0
183.11722	3.4
187.11200	2.3
187.14870	2.3
189.11211	7.2
189.12779	3.9
193.12233	2.1
195.11655	2.6
197.13278	2.7
199.11156	2.3
201.12846	3.3
207.13872	2.6
209.09898	1.9
209.13374	2.4
211.13155	2.3
215.10686	1.7
217.12195	2.1
227.12820	7.4
229.14337	25.0
229.19339	3.9
235.17062	2.1
239.17995	2.7
245.13820	1.9
246.95674	1.8
247.20609	4.3
257.18985	12.5
259.20590	2.4
265.19324	1.9
273.18839	1.7
275.20084	49.7
293.20978	4.2
299.14856	5.4
331.22580	2.8
349.23849	17.2
355.17303	2.4
365.21109	2.5
373.18765	8.6
373.22968	1.7
383.22293	2.1
393.27365	2.0
402.81384	1.9
419.24387	2.6
423.26840	2.2
475.33994	1.8
485.32269	4.7
503.33698	25.3
521.34772	4.1
611.35571	2.6
629.36450	3.5
647.37836	16.0
665.38251	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	664.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.2
55.01870	6.1
55.05515	10.2
57.03437	2.2
57.07075	5.4
67.05499	26.1
69.07062	9.3
71.51734	3.1
79.05495	20.1
81.07059	36.0
83.04974	5.4
83.08606	4.6
87.04480	2.5
91.05483	9.1
91.61277	2.5
93.07055	17.8
95.04971	2.3
95.08614	15.8
97.06523	3.0
105.07051	11.7
107.08598	12.6
109.06493	13.9
109.10160	9.9
111.04458	13.5
111.08047	2.5
117.07022	3.6
119.08578	12.2
120.57799	2.2
121.10180	11.0
123.08116	3.7
123.11728	4.2
125.05977	5.6
131.08578	6.0
133.10133	11.9
135.08116	3.3
135.11697	8.8
137.05988	100.0
143.08504	2.5
145.10184	5.4
147.11684	10.8
149.09665	3.6
149.13269	3.9
151.07542	5.4
157.10139	5.0
159.11720	3.6
161.09659	5.4
163.11191	2.0
165.09183	6.1
171.11732	2.7
173.13234	2.9
175.11232	5.7
180.77426	2.4
184.07486	3.7
187.14784	2.0
193.12375	2.2
203.17998	6.8
213.16365	2.8
221.15410	2.8
231.17526	7.1
249.18500	4.7
254.04677	2.2
277.17993	55.8
295.18951	10.8
313.27295	2.3
335.25812	26.3
350.76535	2.4
351.21695	16.5
496.26556	2.9
611.33301	4.5
611.42944	53.9
664.47021	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	664.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01868	5.4
55.05267	2.8
55.05509	30.6
57.03431	10.1
57.07080	14.1
58.07377	2.4
61.63638	2.2
62.98851	2.2
65.03927	4.6
67.05509	89.7
69.03414	2.5
69.07072	34.6
71.04973	2.5
71.08639	18.0
71.51611	2.8
72.97072	2.5
74.20879	2.3
79.05499	50.6
81.03412	2.2
81.07060	100.0
82.50347	1.9
83.04983	5.8
83.08616	18.6
85.06528	7.0
91.05487	41.3
93.07047	51.5
93.07623	2.7
95.04961	7.9
95.08608	62.4
97.06544	11.3
97.10172	7.5
99.08083	11.4
105.07026	34.1
107.04945	2.8
107.08600	33.8
109.06558	4.6
109.10170	26.0
110.14405	2.3
111.08067	5.3
115.05480	2.3
115.83736	2.2
117.07015	12.0
119.08580	25.0
121.06479	4.9
121.10146	23.7
123.08073	3.8
123.11707	8.9
125.09612	6.1
127.11166	3.3
129.06949	2.6
131.08575	16.3
133.10164	21.0
135.08069	3.2
135.11681	17.4
137.09622	4.2
137.13297	4.2
143.08534	4.9
145.10114	14.0
147.07980	2.4
147.11699	23.7
149.09573	3.0
149.13292	12.2
157.10152	5.5
159.11728	9.7
161.13239	10.2
163.11180	5.3
163.14809	6.2
165.12779	4.3
171.11731	6.2
173.13292	7.4
179.14438	2.7
184.91338	2.1
185.13263	2.7
189.12746	2.2
195.13860	3.0
199.14856	3.1
199.63930	2.2
213.05464	2.5
217.08673	3.9
227.07030	4.1
241.19441	3.7
243.21048	5.1
245.08116	14.3
246.08511	6.1
253.17838	5.5
257.18964	2.7
259.20621	8.7
261.22061	4.1
269.17490	4.5
275.20111	8.4
277.21600	11.9
279.23212	10.7
313.27344	3.4
327.07761	8.7
328.08179	3.2
333.24216	3.9
335.25751	4.9
337.27396	22.8
349.23776	3.6
351.25156	18.3
353.26877	16.9
383.14081	5.4
384.14371	7.3
419.35703	2.3
439.20502	4.2
440.20764	4.8
492.37515	7.0
495.26297	2.3
496.27005	6.0
517.39008	5.7
531.40442	22.4
551.32471	3.3
552.32996	9.1
608.39026	5.4
611.46692	4.6
629.47284	4.6
664.53241	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	664.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.01864	5.0
55.05520	35.1
57.03439	18.2
57.07080	14.5
60.56466	2.4
62.30676	3.2
63.35434	2.5
65.03915	3.0
67.05508	100.0
68.05816	3.1
69.07071	23.9
71.04976	3.9
71.08292	2.7
71.08639	26.6
79.05494	57.9
81.07056	95.5
83.04962	5.5
83.08620	17.0
83.20705	2.3
85.06498	8.4
85.10187	3.3
91.05486	54.8
93.07044	69.8
95.04942	7.5
95.08613	66.0
97.06509	7.9
97.10160	10.4
99.08096	28.1
105.04501	2.9
105.07028	48.3
107.04932	3.3
107.08600	37.7
109.06504	7.2
109.10168	28.1
111.08067	4.9
111.11716	3.7
113.09676	3.2
114.45019	2.6
117.07019	19.1
119.08575	33.7
121.10146	29.8
123.08060	6.0
123.11707	7.6
125.09634	4.9
129.07011	5.6
131.08575	23.8
133.10147	21.2
135.11682	23.1
137.09569	4.0
139.11159	2.8
143.08588	5.7
145.10124	24.3
147.11693	29.7
149.09592	4.0
149.13243	14.2
153.12694	3.4
157.10135	7.5
159.11716	15.4
161.13248	10.4
163.11205	6.0
163.14796	11.0
165.12762	5.4
169.08423	2.8
169.09956	2.9
171.11676	7.7
173.11958	2.4
173.13245	11.5
175.14845	5.3
177.12646	3.1
185.13214	7.7
187.14825	6.5
191.14372	3.3
199.14926	3.3
203.14279	3.0
205.15924	5.0
221.15155	3.3
225.88025	2.2
227.12790	7.6
233.22803	3.3
241.19466	5.5
243.21036	7.7
253.17950	5.9
257.18951	5.5
259.20541	16.1
261.22189	7.6
269.17807	2.8
275.20053	7.9
277.21542	10.1
279.23132	18.0
293.21109	5.9
327.07675	5.8
328.08096	5.5
333.24249	13.8
335.25797	9.8
337.27301	8.8
349.23438	6.1
351.25244	17.9
353.26828	20.2
383.14230	3.8
384.14227	4.7
435.71350	2.7
439.20529	3.9
440.20984	3.8
467.62234	2.9
492.37561	6.6
495.26819	3.4
496.26962	7.6
507.37183	4.3
529.38696	6.3
552.32971	8.4
608.39185	5.2
611.47162	5.0
629.46808	5.6
664.47382	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	664.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	7.1
57.03440	14.3
57.07081	24.5
59.04997	3.5
61.02922	4.4
65.03948	1.3
67.05508	68.7
69.03407	1.0
69.07068	5.9
71.02724	0.6
71.04977	2.7
71.08634	20.6
73.02898	1.2
76.19896	0.6
79.05482	2.2
81.06581	1.2
81.07058	17.4
82.07423	0.9
83.08624	11.2
85.02917	4.9
85.06531	2.1
85.10188	10.1
87.04445	0.7
89.06033	1.3
91.03964	1.5
91.05486	5.1
93.07045	4.0
95.04963	1.1
95.08610	16.0
97.02893	2.7
97.10165	2.5
99.08075	0.8
103.07570	1.0
105.07011	2.3
107.08578	1.7
109.10164	69.9
110.10477	1.1
111.08110	3.2
111.11708	0.7
119.08584	6.2
123.08067	0.7
123.11687	2.9
124.08397	0.6
127.03914	0.8
131.08588	1.0
133.10126	1.6
135.11646	0.8
137.09613	2.8
137.13177	0.7
145.10129	1.6
146.10454	0.9
155.10666	6.7
159.11687	1.0
161.13274	0.7
169.10152	0.8
173.11768	16.0
173.13177	0.8
176.15219	0.7
184.07304	0.9
207.13829	0.6
208.14313	0.7
221.15343	1.7
224.15359	0.8
229.14363	100.0
230.14597	1.6
239.23749	2.1
243.62358	0.7
257.24762	1.2
313.27368	81.0
314.27634	1.3
324.25946	0.8
467.37360	65.8
468.37610	1.7
551.32776	0.7
664.47455	3.4
685.68909	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.1
55.01871	7.6
55.05316	4.3
55.05518	42.0
57.03444	20.3
57.07072	14.1
65.03951	7.3
66.91552	4.4
67.05185	6.6
67.05510	100.0
69.07067	37.8
69.66470	4.6
69.85408	23.2
71.04975	5.9
79.05494	78.8
81.03403	6.8
81.07057	97.6
83.04964	11.6
83.08632	26.2
85.06573	4.5
87.04472	74.7
89.11642	4.3
91.05489	60.4
93.07048	76.5
95.04960	13.3
95.08620	76.6
97.06541	14.6
97.10174	7.7
98.98447	7.6
105.07050	53.6
107.08606	45.7
109.06527	7.0
109.10157	25.2
113.14937	5.1
117.07022	23.9
119.08591	45.0
121.06518	6.5
121.10133	33.4
123.08036	7.7
123.11717	10.1
125.09684	5.7
129.06969	9.7
131.08586	26.8
133.09294	5.6
133.10126	31.2
135.11694	28.7
137.13280	5.4
141.57256	3.8
143.08563	5.8
145.10118	20.5
147.07957	5.9
147.11725	23.6
149.13254	14.3
157.10094	8.2
159.11711	15.5
161.13268	13.0
163.11194	9.0
163.14735	5.2
165.12744	6.3
167.08449	4.2
173.13254	9.0
177.12762	9.5
187.14891	8.1
200.87811	4.6
233.10849	3.9
233.88759	4.7
241.19707	4.1
259.20609	17.2
269.17435	7.6
275.20035	12.8
277.21649	16.8
313.27338	7.3
333.24158	9.0
334.79080	4.9
335.25854	32.9
349.23721	5.8
351.25449	17.6
442.73798	5.2
455.95175	4.1
469.04092	4.8
474.43283	4.2
515.36816	7.8
521.38190	12.0
529.39087	29.5
648.88098	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	663.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.2
55.01882	11.2
55.05265	3.5
55.05513	40.3
57.03423	9.8
57.07096	2.1
59.05008	5.1
60.28641	2.1
65.03944	3.7
67.05507	100.0
67.61803	1.5
69.03430	27.7
69.07066	23.1
69.64111	12.6
71.01350	2.2
71.04984	9.1
76.42638	2.0
79.05491	33.7
81.03419	52.5
81.03870	3.7
81.07056	39.3
83.04990	16.0
83.08611	16.4
85.02906	17.3
85.06519	2.3
91.05482	35.1
93.07040	30.7
95.04984	15.5
95.08602	21.7
96.76766	1.8
97.02900	16.1
97.06541	3.7
97.10162	18.6
98.21525	2.0
99.04469	5.7
103.05486	1.9
105.07040	22.8
107.04954	10.4
107.08594	25.6
109.02873	22.3
109.06525	7.7
109.10160	49.5
111.04450	10.3
111.08092	4.8
115.05479	2.6
117.07007	13.0
119.04971	3.1
119.08570	23.4
121.06541	6.5
121.10139	11.5
123.04402	2.4
123.08043	9.3
123.11718	3.9
125.05983	2.3
125.09641	17.8
127.03902	13.8
127.77958	1.8
128.06219	3.1
129.07013	7.9
130.07791	2.5
131.08575	16.4
133.06487	7.4
133.10124	11.2
135.08086	9.6
135.11707	4.4
137.06049	2.9
137.09660	6.8
139.11270	3.6
141.07043	2.8
143.08571	6.4
145.06462	2.7
145.10138	11.7
147.08093	5.5
147.11699	4.2
149.09660	4.2
151.07590	2.8
153.09195	2.8
155.08588	3.9
155.10645	5.0
157.10144	8.3
157.28551	1.8
159.08153	3.7
159.11737	5.6
161.09628	6.9
161.13307	2.3
163.11203	3.9
167.08604	2.5
171.11679	5.0
173.04465	4.2
173.09657	3.7
173.11766	13.3
173.13150	3.4
175.11205	4.3
175.14830	2.2
181.12306	2.6
184.07417	2.9
185.09654	3.4
187.11205	2.8
189.11185	14.2
195.11836	2.4
211.13214	2.9
221.11716	2.2
223.13278	8.8
227.12720	9.4
229.14377	8.5
235.13263	2.4
245.19006	3.6
253.54419	1.9
255.17445	2.5
257.02109	1.9
258.09106	3.3
263.19916	2.2
273.18542	13.6
275.20178	2.5
290.78946	2.1
291.19531	69.2
299.15018	6.6
303.06573	2.0
327.14529	3.8
347.22308	4.7
355.17639	6.0
365.23740	3.4
383.17618	2.6
470.87888	2.0
501.32489	7.6
519.33612	5.1
616.97644	2.6
645.36591	8.8
663.37360	76.9
664.37946	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	663.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.05484	0.7
57.07081	50.4
65.03898	0.6
67.05475	0.6
69.07053	0.8
70.91365	0.8
72.51569	0.5
77.03958	0.8
79.05485	0.8
79.63411	0.5
81.07041	1.2
87.04439	1.3
91.05001	0.5
91.05491	6.7
93.07023	0.7
93.71942	0.5
95.04935	1.1
95.08583	0.9
105.06991	2.2
107.08596	0.8
112.14697	0.4
117.06994	0.8
119.08549	1.4
128.09634	0.4
131.08592	0.5
132.09351	1.2
133.10138	0.7
135.11662	0.5
147.10658	0.6
147.11700	6.9
152.06248	0.9
153.07008	4.3
171.08095	0.5
175.01474	0.7
215.02676	0.8
226.40564	0.5
228.09364	0.9
229.10095	1.3
233.03613	6.1
251.02155	1.1
251.04707	16.5
270.52667	0.5
283.43622	0.5
292.88782	0.5
307.10892	1.4
327.07822	100.0
328.08069	1.6
383.14087	74.2
384.14395	1.5
439.20374	62.3
440.20523	1.3
495.26639	72.1
496.26740	2.9
551.32892	87.4
552.33423	3.5
607.39130	56.0
608.39441	1.9
663.45404	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	662.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01872	7.7
55.05273	2.1
55.05518	31.6
56.02158	1.8
57.03448	11.5
57.07084	3.5
57.84837	1.6
59.05008	31.2
65.03950	3.3
67.05510	100.0
69.03424	4.9
69.07071	18.3
71.01362	2.0
71.05000	23.7
71.08646	12.5
71.51367	2.3
79.05496	42.7
81.03420	30.8
81.07060	70.6
82.07404	1.7
83.04983	16.0
83.08621	22.2
85.02924	3.0
85.06550	8.1
87.04471	24.0
87.90649	1.5
89.70782	1.6
91.05482	40.3
92.05808	2.4
93.07046	41.9
93.31905	1.9
94.84906	2.0
95.04973	20.7
95.08619	23.5
97.06522	12.6
97.10160	12.9
99.04454	4.9
99.08104	11.9
105.07039	28.7
107.04971	6.1
107.08592	26.4
109.06536	7.0
109.10165	46.3
111.08091	7.1
115.05506	1.6
117.06981	9.4
119.08579	16.9
121.06516	3.8
121.10139	11.4
123.08062	4.7
123.11707	5.4
124.99984	2.4
125.09639	10.7
129.07042	8.5
131.08563	13.8
133.06500	3.1
133.10124	18.7
134.10690	1.7
135.08070	4.2
135.11693	10.2
137.09653	4.4
139.11192	5.7
145.10120	6.2
147.08075	2.4
147.11703	7.1
149.09636	5.5
149.13274	7.6
151.11206	11.7
157.10144	3.2
159.11720	7.0
161.09659	2.1
161.13336	2.7
163.11197	8.4
165.12778	2.7
167.10612	2.2
171.11775	2.0
173.11757	12.7
173.13139	2.9
175.11154	5.5
177.12862	2.9
179.14429	2.4
181.12349	1.8
185.13193	2.6
187.14958	2.1
188.08006	2.3
189.11238	4.9
193.12244	11.4
195.13802	4.7
199.13289	4.6
211.13307	3.3
225.14957	4.0
227.12805	6.4
229.14326	23.2
241.19441	2.1
243.16031	2.0
249.14963	3.0
249.25377	1.8
255.15909	2.3
267.15955	23.4
268.16730	1.9
269.17538	6.8
275.19916	1.8
277.21490	9.0
293.20996	2.6
301.20074	3.1
302.15042	1.8
319.40762	1.8
351.25305	7.5
397.26080	3.5
411.26602	2.1
421.25668	3.5
423.27319	16.3
445.29669	3.7
455.29935	6.9
495.33252	24.3
509.30829	3.0
527.32410	4.0
543.36725	5.6
619.10559	2.1
662.02472	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	662.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42606	1.9
57.07087	3.1
61.39459	1.7
71.51375	2.3
75.81261	1.6
76.01566	1.6
87.04473	19.8
89.05984	1.9
121.06555	2.0
332.17648	2.1
403.19415	4.2
415.19586	3.1
416.19891	2.8
417.20834	6.0
418.21701	2.7
419.18713	2.8
429.16934	3.3
430.21988	1.9
431.18045	8.4
433.23956	7.5
444.19458	5.3
445.20303	7.2
446.17380	6.0
447.18188	6.6
448.18945	2.6
448.88138	1.8
459.21835	72.5
460.22565	14.4
461.23724	9.3
473.23309	3.7
475.21283	22.7
476.21902	5.4
477.23138	2.9
487.25436	2.7
489.67783	1.8
501.21530	2.2
503.24789	2.4
505.26212	3.9
519.23389	10.5
531.24005	5.4
533.21954	4.8
535.23230	5.3
545.25702	3.8
546.26288	2.4
547.27344	35.4
548.27148	4.0
563.26373	5.0
574.25757	4.0
590.24719	2.6
591.25861	4.0
593.24091	12.7
605.27277	7.1
606.28363	100.0
607.27826	7.3
622.27960	65.0
623.27411	2.1
630.27716	2.9
662.29889	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	662.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.3
55.15196	0.1
56.05031	0.7
57.03439	0.2
58.06363	0.3
58.06625	0.5
59.07410	0.2
60.08168	6.5
62.43123	0.2
66.42963	0.2
67.05510	1.0
69.07068	0.3
70.06590	0.2
71.07376	3.0
71.24339	0.2
71.24679	0.3
79.05495	0.8
81.03407	0.7
81.07074	0.9
83.04993	0.3
83.08620	0.3
85.02898	0.4
86.09711	32.3
87.10066	0.3
91.05487	0.7
93.07040	0.9
95.04982	0.4
95.08591	0.2
97.02916	0.2
97.10194	0.2
98.98469	3.2
104.10756	2.7
105.07042	0.5
107.08596	0.5
109.10150	0.4
119.08543	0.3
121.10165	0.4
123.04444	0.2
125.00011	22.0
131.16669	0.2
133.10136	0.3
135.11700	0.3
143.01039	0.2
147.11696	0.2
149.13164	0.2
175.11090	0.2
184.07352	100.0
185.07684	0.8
193.12244	0.4
211.13290	0.3
229.14365	0.2
255.16020	0.6
267.15945	0.4
285.16989	0.2
326.34265	0.2
447.27325	0.3
465.28406	0.9
662.36658	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	662.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.05513	25.0
57.03442	20.4
61.02928	4.0
63.90601	1.6
65.03933	2.4
67.05512	47.2
69.03426	3.0
69.07075	13.5
69.52201	12.9
71.01331	3.0
71.04971	5.2
79.05497	47.9
81.03421	58.4
81.07063	32.8
83.04990	15.5
83.08218	2.1
83.08630	21.6
85.02908	17.5
85.06525	2.6
86.09703	8.5
89.90865	2.1
91.05483	36.4
93.07047	45.0
95.04977	23.4
95.08604	13.3
97.02893	4.3
97.06542	11.3
97.10175	10.9
97.10687	2.0
98.20963	6.4
99.08118	1.9
102.17751	1.6
105.07025	22.2
107.04963	4.8
107.08602	32.5
109.06539	3.7
109.10155	8.4
111.08088	7.2
113.05943	1.9
115.05512	2.1
117.06998	4.5
119.08599	19.5
121.10162	11.6
124.99995	4.3
125.09632	2.9
129.07056	10.2
131.08562	8.1
133.10147	9.8
135.11691	33.4
137.09592	3.2
145.10136	9.0
147.08041	4.1
147.11703	10.9
149.09610	6.3
157.10159	10.9
163.11197	4.9
165.12729	2.8
174.64162	2.0
175.11232	12.9
181.12279	10.1
181.34148	2.0
184.07335	22.0
193.12256	36.6
211.13297	49.2
255.15923	80.5
267.15915	28.2
285.17029	32.7
292.77380	1.8
368.28455	1.9
375.26117	2.0
432.17627	2.3
447.27420	71.4
448.27826	3.3
458.15253	3.5
465.28497	100.0
466.28622	2.6
487.51712	1.9
498.18707	5.4
543.81158	2.0
557.19867	4.3
619.23004	3.7
620.24054	3.5
630.22876	10.7
662.25043	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59149	1.9
53.03933	9.4
55.01863	8.6
55.05513	24.6
57.03437	26.7
57.07060	6.1
59.05005	2.7
61.02931	85.4
65.03932	3.5
67.05507	71.9
68.05822	2.2
69.03429	36.6
69.07076	27.6
71.01340	5.7
71.04993	9.1
71.08624	2.7
71.51872	3.0
73.02923	29.9
75.04469	5.6
75.56403	1.8
78.79422	2.2
79.05492	32.7
80.62659	1.7
81.03420	34.7
81.07056	71.9
83.04988	10.8
83.08611	16.4
85.02908	100.0
85.06544	5.6
87.04466	4.7
91.03960	63.6
91.05476	23.4
93.07044	30.7
95.04954	7.4
95.08609	50.7
97.02895	78.3
97.06512	6.9
97.10158	7.8
99.04448	13.7
99.08068	4.8
101.02364	10.2
103.03940	11.7
105.07038	21.6
105.43252	1.7
107.04958	5.6
107.08601	16.8
109.02877	16.1
109.06503	2.5
109.10152	26.7
111.04453	4.4
111.08064	3.0
115.03945	4.6
117.05515	2.1
117.07001	6.2
119.08599	13.4
121.06499	3.1
121.10133	14.1
123.08091	3.3
123.11706	9.0
125.06026	2.6
125.09602	4.6
127.03912	37.8
129.05469	7.9
129.06995	2.7
131.08582	9.5
133.06525	2.9
133.10150	13.0
135.08002	3.1
135.11684	9.8
137.09593	2.8
137.13237	3.2
139.11121	2.9
143.08557	3.1
145.04977	27.2
145.10127	6.6
147.11670	9.5
149.09550	3.6
149.13248	6.1
151.11099	3.1
151.14824	3.1
157.10168	2.4
159.06497	3.1
159.11693	3.6
161.09689	2.1
161.13248	8.4
163.06049	7.6
163.11134	5.1
163.14847	4.4
165.12656	2.0
167.10651	3.9
171.06606	2.6
171.11674	2.6
173.13318	3.1
175.14807	3.1
177.16451	2.3
180.09523	1.9
181.12219	5.2
183.06573	10.5
187.14824	3.1
189.16533	2.3
197.13240	2.7
201.07610	8.5
209.13164	2.0
221.15266	3.7
233.15407	2.5
245.22719	9.8
261.22202	3.3
263.23694	19.0
271.20352	2.5
305.24643	2.6
335.25797	4.7
337.27393	98.5
338.27594	4.8
349.23788	2.5
353.24475	3.5
365.26740	3.7
371.25662	3.4
379.28427	2.5
443.43723	2.0
445.29599	5.7
463.30701	3.4
481.31311	6.1
645.65222	2.3
661.38544	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	661.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03404	0.9
67.05455	2.2
69.03372	1.0
69.07032	1.2
71.51135	0.7
71.51551	1.1
72.14477	0.7
79.05463	1.6
81.03385	1.6
81.07066	3.7
86.09635	1.4
91.05421	2.0
93.06998	2.0
95.04945	1.4
95.08553	1.4
105.06983	2.3
107.04898	0.9
107.08569	1.8
109.02868	0.7
109.10124	1.0
117.06958	1.1
119.08498	1.0
121.10117	1.1
134.38618	0.7
135.83919	0.6
140.15178	0.6
145.10056	0.9
147.11665	0.7
148.03452	0.7
149.09517	1.0
153.09167	0.7
155.94514	0.8
184.07358	5.1
340.15073	0.7
387.14883	1.2
391.18103	1.0
401.16245	2.0
415.13641	1.3
415.18262	1.0
416.14609	2.1
417.15973	1.5
422.30618	0.9
429.15485	8.4
430.16644	3.8
431.17288	7.6
432.18317	0.8
437.16721	0.8
439.14120	0.8
441.15576	1.7
442.17175	1.0
443.18152	3.5
444.18213	9.9
445.18643	2.7
453.15530	1.5
454.16391	5.0
455.17184	3.6
456.17917	3.4
457.14554	19.2
458.15405	1.3
458.19919	1.0
467.17175	2.5
468.18024	3.4
469.19348	5.3
470.15485	0.9
471.15872	6.5
471.21478	1.1
472.17426	27.4
473.18137	3.3
482.16034	2.8
483.16742	1.3
495.16858	1.0
496.17526	3.0
497.18253	10.6
498.18988	1.1
500.16980	2.4
501.17575	1.5
502.18625	1.0
511.19318	1.2
513.17719	1.3
514.18939	2.1
515.19427	4.3
516.20264	1.4
524.16876	3.7
527.07050	0.8
527.19043	1.0
528.20282	1.4
529.20703	1.2
530.21826	2.2
531.22687	9.5
532.22345	0.9
541.20923	1.5
555.18744	1.0
556.19415	7.4
558.21667	1.0
559.21967	53.1
560.22296	2.9
569.20410	2.8
587.21246	4.3
597.19812	3.6
601.23779	1.2
618.23480	5.3
619.24042	100.0
620.24127	5.6
629.22491	23.0
643.23621	1.5
661.25085	89.3
662.25519	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	661.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46338	0.6
51.98164	0.6
55.05504	1.2
67.05492	2.6
69.03433	0.6
71.11621	0.6
71.25220	1.1
79.05482	2.3
81.03420	2.4
81.07059	2.8
83.04961	1.3
85.02900	0.9
86.09697	2.1
91.05484	1.7
93.07040	2.1
95.04958	1.1
95.08616	0.9
97.02898	0.7
105.06997	0.8
107.08589	1.5
109.10105	0.9
119.08553	0.7
121.10122	0.7
125.00019	2.0
125.09580	0.7
133.10150	1.2
135.11726	1.5
147.08101	0.6
163.11205	0.6
184.07336	5.6
193.12341	1.2
211.13420	0.9
255.15988	2.0
257.18970	0.6
267.15781	0.6
400.16132	0.7
411.14474	1.7
412.15161	1.2
413.16309	1.7
416.15701	0.8
424.15259	0.9
425.16373	4.3
426.17154	1.7
427.17896	2.0
439.14130	2.3
440.13800	1.5
440.18594	3.6
441.15619	3.3
442.16385	1.8
443.17142	2.2
452.14789	1.5
453.16028	6.2
454.16470	4.9
455.17117	4.2
456.18167	4.7
457.19174	1.6
458.15649	1.3
465.28375	1.6
467.18234	4.9
468.18604	12.6
469.19431	10.1
470.20471	2.9
471.16208	2.6
471.20984	1.9
472.17447	2.6
473.18369	0.7
480.14175	1.8
481.15253	5.4
482.15100	9.6
483.15845	5.1
485.20926	0.7
486.19171	1.8
494.16095	0.8
495.17163	6.6
496.17560	16.5
497.18207	32.9
498.18350	3.5
499.16391	2.4
509.15143	2.3
510.19006	2.0
511.19827	2.7
512.20361	1.1
513.17499	4.7
514.18420	7.5
515.19165	4.7
520.17145	0.7
523.19684	0.9
523.55029	0.8
524.16809	15.6
525.17737	2.6
527.19757	0.9
528.20062	8.0
529.20746	4.6
530.21564	3.0
541.17737	2.1
551.19281	1.0
553.21100	3.1
555.18762	4.0
556.19623	9.9
557.20355	2.7
569.20386	9.1
570.21033	2.0
571.19019	0.8
585.23401	2.0
586.20911	0.8
587.21252	2.7
597.19849	16.0
598.20093	1.2
601.23047	3.0
629.22455	75.6
630.22351	3.6
643.23663	1.3
647.23059	1.3
661.24939	100.0
662.25409	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	661.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16796	0.6
56.04628	0.5
57.03429	0.9
65.03943	0.5
66.87491	0.5
69.03419	2.1
69.89820	2.5
75.15541	0.5
79.05505	0.5
81.03404	1.2
81.07031	0.5
85.02914	3.7
92.05005	1.0
95.47898	0.5
96.08142	1.2
97.02887	2.1
99.32594	0.5
118.67407	0.6
122.06022	1.1
124.07568	2.1
126.09162	5.5
127.03925	0.6
138.09160	1.7
147.28445	0.5
148.03972	1.4
150.05505	0.5
150.09186	0.6
152.07065	12.2
153.01782	0.6
164.03430	0.6
166.05013	22.2
172.71225	0.5
176.03439	4.7
182.04506	5.4
194.04465	2.7
199.08710	1.3
200.10669	1.2
212.09410	0.9
215.08194	0.9
225.10223	1.0
227.08305	0.7
227.11780	2.9
228.10156	1.3
229.13300	0.6
230.08273	0.7
233.09190	1.2
237.10262	0.7
240.08955	2.3
241.09654	0.7
243.11249	1.2
253.09708	3.3
254.07973	0.6
255.11322	3.3
257.09171	1.9
257.13129	0.8
259.07153	2.0
261.12253	0.9
270.09946	0.8
271.10730	7.8
272.09094	1.1
273.08630	1.1
273.12393	1.8
283.10791	28.9
289.11823	4.0
301.08972	0.4
301.11823	20.5
319.12897	100.0
320.13260	2.0
481.18179	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	660.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01877	2.7
55.05514	10.1
57.03449	8.9
57.07084	1.8
61.02934	9.1
63.18749	0.8
65.03918	1.5
67.05512	36.7
68.05845	1.2
69.03433	3.3
69.07076	15.3
69.63670	3.7
69.64083	1.8
70.06606	1.0
71.01367	0.9
71.04987	4.4
73.02918	2.6
73.64922	0.9
75.25028	0.9
79.05070	1.6
79.05501	23.0
81.03422	5.2
81.07066	56.8
83.04981	5.1
83.08624	11.7
85.02903	8.5
85.06560	2.2
88.07637	1.0
91.03945	5.6
91.05489	12.7
93.07052	36.6
93.07642	1.8
95.04967	3.4
95.08615	15.5
97.02892	6.3
97.06528	5.9
97.10165	2.1
99.04446	1.8
99.08089	2.5
105.07041	6.3
107.04945	1.3
107.07896	1.5
107.08605	23.1
109.02958	0.9
109.06523	0.9
109.10172	4.3
111.08105	4.0
117.07024	5.1
119.08600	2.4
121.06460	1.2
121.10152	13.0
123.11728	3.3
127.03934	2.2
131.08575	5.9
133.10144	9.6
135.11702	6.9
145.04941	1.0
145.10120	1.1
147.11739	1.1
149.02435	1.4
149.09677	1.3
149.13277	16.4
159.11693	7.6
177.12785	3.9
193.05032	1.9
194.05313	2.0
195.13849	10.5
210.16794	0.8
213.14871	1.6
251.16235	1.3
256.26410	1.7
257.26596	1.0
269.17502	50.0
270.17822	1.2
335.25879	3.2
336.26212	3.8
430.12054	1.1
463.30594	100.0
464.30869	3.5
590.49182	1.0
660.36536	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	660.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01883	1.2
55.05521	7.4
57.03448	5.7
57.07070	1.6
61.02932	3.8
63.67079	0.7
65.03932	1.6
67.05510	34.2
69.07076	9.8
71.04992	2.3
73.02918	1.2
74.31520	0.9
78.49791	0.8
79.05500	18.8
81.03420	3.0
81.07063	45.8
83.04996	3.5
83.08630	8.0
84.10460	0.7
85.02914	2.9
85.06520	1.9
86.09724	1.0
90.76904	0.8
91.03984	0.8
91.05490	14.3
93.07051	30.3
93.07647	1.7
94.07357	1.4
95.04984	2.5
95.08610	12.7
97.02889	1.7
97.06531	6.2
97.10142	2.1
98.20726	2.3
99.08102	1.5
103.05508	0.9
105.07038	8.7
105.34699	0.8
107.04971	1.1
107.08603	16.2
109.06557	1.7
109.10157	3.8
111.08093	3.6
117.07016	6.1
119.08602	3.7
121.06492	1.4
121.10148	6.5
123.11724	2.7
125.09591	1.3
129.07002	2.7
131.08569	9.2
133.10150	8.4
134.10536	0.8
135.08058	1.5
135.11693	5.8
143.08568	1.6
145.10136	3.2
147.11737	2.4
149.13272	12.4
151.11195	1.0
155.08598	1.3
157.10075	1.9
159.08015	0.8
159.11688	6.0
169.10007	1.1
177.12750	3.3
184.07364	3.4
185.13324	1.4
195.13815	7.4
213.14815	1.2
216.21439	0.8
251.16521	1.3
261.90311	0.8
269.17502	32.4
275.19870	0.8
353.24893	1.9
371.26120	1.7
374.08145	0.8
413.21729	1.0
445.29550	14.2
463.30576	100.0
464.30945	2.1
607.34613	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	660.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01863	2.0
55.05275	0.7
55.05513	7.1
57.03436	6.3
57.07092	0.9
60.77508	0.5
61.02921	1.0
65.03931	0.7
67.05505	33.2
69.03419	0.8
69.07067	11.1
70.77014	0.4
71.04987	2.4
71.51934	0.6
73.02899	0.5
79.05495	19.6
81.03419	2.3
81.07058	45.2
83.04980	3.4
83.08620	7.9
85.02905	1.7
85.06548	2.5
91.03939	1.1
91.05479	11.4
93.07045	32.8
95.04963	2.5
95.05482	0.4
95.08608	10.5
97.02872	1.0
97.06541	7.5
97.10142	1.3
98.78468	0.4
99.08103	1.5
105.07026	4.2
107.04970	1.0
107.05624	0.5
107.08594	18.0
109.06514	1.8
109.10149	2.1
109.36234	0.5
111.08092	3.8
111.11723	0.7
113.05997	0.4
113.09660	0.5
117.07006	4.7
119.08596	2.2
121.06509	0.8
121.09330	0.8
121.10147	11.9
123.11712	1.7
125.09642	0.6
131.08575	4.0
133.10138	4.8
133.93073	0.5
135.08069	0.9
135.11723	4.6
139.11205	1.2
142.07858	0.4
145.10141	0.7
147.11670	1.0
149.09596	0.9
149.13260	19.8
151.11171	0.7
157.10110	0.6
159.11694	8.7
167.14259	0.5
177.12752	4.2
195.13799	8.6
209.13380	0.5
213.14888	1.8
225.06767	0.5
251.16364	0.7
255.15891	0.6
269.17487	55.5
270.17993	1.3
350.64456	0.5
463.30579	100.0
464.31052	3.8
490.02612	0.5
506.49344	0.5
544.37207	0.5
567.52350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
56.96569	0.8
58.43344	0.3
61.02921	0.4
69.03424	0.9
71.50500	0.5
77.03907	0.3
79.05507	0.9
81.03419	0.5
85.02911	1.2
91.05511	0.7
93.07059	1.3
97.02884	2.3
98.97610	1.3
99.04446	0.4
100.83813	0.3
103.05479	6.8
106.61395	0.3
107.04979	1.1
109.02884	0.7
110.97562	0.5
111.01347	0.4
116.98621	0.4
120.08115	100.0
121.08450	0.9
123.34575	0.4
123.98330	0.3
125.69858	0.3
125.76153	0.4
127.03941	1.0
128.98653	0.6
131.04926	2.8
145.04979	0.8
149.05991	1.5
153.01843	15.4
153.02841	0.6
154.02130	0.5
166.08653	47.6
167.09042	0.8
171.02917	1.2
189.92728	0.4
201.00673	0.5
208.97580	0.4
219.01724	0.5
226.98688	0.7
244.99796	0.5
303.01306	0.6
306.55301	0.4
315.04190	0.4
315.07187	5.2
343.05078	0.5
352.05573	0.4
392.88962	0.4
433.08209	0.8
533.31897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.1
55.01880	19.5
55.05517	57.9
57.03443	17.7
57.07085	19.9
65.03939	5.9
65.23981	2.1
67.05508	75.9
68.05823	3.3
68.81203	1.9
69.03425	2.6
69.07075	56.0
71.04980	6.6
71.08632	15.7
71.51718	2.5
73.02908	5.0
79.05072	3.8
79.05501	50.5
81.03416	14.0
81.07061	100.0
83.04983	6.5
83.08625	47.6
85.06550	5.6
85.10188	6.4
89.06044	5.5
91.05491	36.2
93.07053	61.4
95.04971	13.7
95.08620	40.5
96.08920	2.4
97.06535	14.7
97.10168	22.6
98.98470	88.8
99.08128	4.1
105.07040	22.5
107.04919	3.5
107.08599	30.1
109.06516	6.8
109.10160	14.6
110.10597	2.0
111.08071	6.6
111.11715	6.4
117.07014	12.0
119.08591	21.4
121.06510	7.3
121.10142	26.7
123.08093	5.9
123.11697	8.5
125.09624	3.6
129.06985	2.3
131.08594	15.4
133.08592	3.0
133.10162	11.2
135.08070	5.7
135.11696	17.2
137.00017	6.7
137.13251	2.7
138.15494	2.2
139.11186	3.2
141.06987	2.8
145.10127	6.5
147.08032	2.9
147.11693	8.7
149.09569	3.2
149.13268	30.6
155.01047	72.2
159.08058	4.4
159.11720	17.9
165.12851	2.5
173.02110	4.3
175.11235	2.5
177.11255	3.5
177.12752	31.2
195.13783	17.5
213.14671	2.7
219.21190	2.1
227.12740	3.6
229.14424	3.2
233.15312	4.9
237.22128	16.0
251.16446	47.3
269.17496	34.1
270.17877	2.8
275.19989	3.3
276.20367	4.6
289.21677	2.1
307.18912	2.1
311.25815	61.2
313.27338	12.1
314.27661	10.7
327.08734	2.1
330.53653	2.4
331.13080	2.9
335.25787	3.1
346.16696	2.1
349.14117	17.1
349.23654	2.8
405.16818	13.6
423.17920	12.8
447.25140	4.1
468.37729	2.3
487.37747	8.8
505.38919	43.5
508.40475	5.7
542.05188	2.3
547.39563	4.5
606.47198	3.4
659.39032	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	659.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	11.4
55.01878	13.0
55.05263	3.5
55.05512	30.4
57.03447	19.5
57.07073	6.0
57.56322	1.9
65.03941	6.8
67.05508	100.0
69.03436	4.1
69.07069	22.1
69.84737	2.1
71.01373	2.4
71.04989	4.5
71.08625	4.0
71.50939	4.1
74.36006	2.0
79.05495	65.5
80.06251	3.0
81.03430	15.4
81.06590	4.5
81.07062	78.1
83.04995	21.0
83.08611	10.8
85.02921	3.5
85.06534	4.4
87.04515	2.2
89.06067	4.4
90.88667	2.0
91.05486	71.9
93.07049	68.4
94.20665	2.0
95.04980	33.6
95.08613	49.2
97.02921	4.2
97.06536	8.4
97.10158	5.5
98.98452	6.8
99.08114	4.1
103.05460	4.0
105.04516	3.6
105.07037	49.2
105.40176	2.1
106.72427	2.1
107.04968	46.1
107.08608	29.1
109.06516	17.1
109.10157	29.2
111.04445	7.1
111.08076	5.4
112.05209	3.6
113.06003	2.8
115.05477	5.7
116.06263	2.8
117.07029	22.9
119.04940	4.9
119.08593	29.0
121.06503	12.2
121.10155	18.1
122.07305	13.3
123.04462	7.2
123.08061	7.6
123.11749	5.8
125.06004	3.5
125.09631	4.0
128.06233	7.3
129.07022	14.3
131.04951	3.3
131.08575	32.2
133.06505	17.5
133.08623	3.5
133.10146	22.3
135.08038	8.1
135.11687	12.2
137.05978	3.9
137.09619	5.2
141.06992	2.9
142.07823	3.7
143.08577	9.9
143.33289	2.3
145.06468	7.4
145.10138	17.5
147.08047	22.5
147.11700	15.6
149.09636	7.9
149.13287	8.5
151.11185	4.1
155.01051	4.8
155.08580	2.9
157.10158	6.8
159.08073	5.3
159.11771	10.2
161.09668	14.1
161.13251	5.0
162.10480	2.9
163.11220	7.0
165.09140	2.4
169.10115	5.7
171.11679	4.2
173.13223	5.1
175.11197	6.2
175.14960	2.5
177.12793	4.6
179.14465	2.4
185.13274	3.1
187.11227	3.1
189.12810	2.8
195.13841	2.7
197.13281	2.4
203.14362	2.5
205.15950	2.1
215.14380	3.7
220.51462	2.3
231.13942	2.2
233.15347	10.2
251.16389	5.2
253.14346	3.5
257.18854	2.7
261.14929	3.7
261.22205	4.1
273.18539	8.9
275.20038	6.4
289.17880	5.1
290.18796	9.1
291.19617	5.2
293.21072	6.5
307.18881	2.7
311.25809	3.3
313.27713	2.7
335.18561	3.2
335.25818	35.6
336.44403	2.3
349.23758	3.9
355.00232	2.6
381.22583	13.4
456.41388	2.1
489.35867	10.4
505.39087	4.3
567.40265	4.6
595.39807	14.6
615.88660	2.3
641.44330	20.2
659.45129	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	659.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
51.30453	0.5
53.03941	1.2
55.01865	0.8
55.05513	5.1
57.03431	1.0
57.07081	2.7
59.04996	1.0
67.05499	6.3
69.03423	3.2
69.07069	16.7
70.13113	1.4
71.04982	0.8
71.08645	0.9
73.06567	0.6
74.66989	0.5
79.01869	3.2
79.05491	3.9
81.03413	5.3
81.07060	25.9
83.08632	5.6
85.02910	3.7
85.06549	4.9
85.10155	0.5
91.05476	2.0
93.07047	9.4
95.04972	0.6
95.08609	21.2
97.02890	4.0
97.06544	2.6
97.10170	2.1
99.04461	0.9
99.08107	1.9
105.07024	2.9
107.01319	1.4
107.08604	8.2
109.02892	4.3
109.06508	0.8
109.10166	8.5
111.08073	4.4
111.11739	4.4
113.09641	0.6
119.08584	1.5
121.02885	0.6
121.10151	5.8
123.11712	11.2
125.02335	3.6
125.13268	1.0
127.03922	6.0
127.11200	1.2
127.15425	0.5
133.10141	1.0
135.11708	4.8
137.13264	8.6
139.11157	1.4
143.03384	3.4
145.04982	0.5
145.10196	0.6
147.11691	1.5
149.13257	9.9
149.14392	0.7
151.07646	0.4
151.14871	1.1
153.01836	100.0
153.02849	4.4
153.12747	5.0
154.02165	1.2
155.14310	2.1
158.73941	0.4
161.13243	0.6
163.14861	2.3
165.16396	0.6
166.99745	0.5
167.14313	2.5
171.02901	8.6
171.13835	1.9
173.15413	1.4
177.16348	1.1
185.15375	0.6
191.18007	0.7
195.17427	0.8
204.06491	0.6
217.19388	0.8
239.23651	0.5
243.11250	0.6
273.25818	0.9
279.26807	2.7
291.26871	5.6
297.06079	4.3
297.27902	2.5
309.27866	10.6
315.07117	11.3
315.28998	1.3
326.98868	0.5
327.28851	2.8
345.29987	1.1
417.29962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.6
55.01872	22.9
55.05513	48.4
57.03437	16.5
57.07073	18.4
65.03941	3.8
67.05507	80.9
68.05821	1.5
69.03423	4.2
69.07070	55.9
69.26188	1.3
69.26490	12.7
71.04977	5.8
71.08630	13.7
73.02918	6.1
77.03923	1.8
79.05498	45.6
81.03417	12.6
81.07058	91.3
83.04988	7.5
83.08624	49.6
83.09119	2.3
85.06538	4.5
85.10188	5.8
89.06020	2.9
91.05486	34.3
93.07046	56.3
95.04979	10.3
95.08611	34.6
95.09086	1.0
97.06538	12.5
97.10174	24.1
98.98470	100.0
99.08089	4.0
105.07033	20.6
107.04980	2.7
107.08600	26.7
109.06521	7.1
109.10163	16.1
110.10484	2.6
111.08078	7.5
111.11727	4.7
113.05981	1.8
117.07022	10.0
119.08579	11.6
121.06515	4.4
121.10161	21.8
123.08067	3.2
123.11708	4.8
125.09614	2.0
125.13313	1.6
129.05507	1.7
129.06999	1.9
131.08574	13.6
133.10150	13.1
135.08058	6.1
135.11713	13.8
136.99983	5.4
139.11250	1.6
143.08624	2.4
145.10112	4.0
147.08060	1.5
147.11691	8.4
149.09634	1.9
149.13258	29.5
155.01042	73.1
157.06723	1.3
157.10150	1.6
159.11708	22.7
163.11172	1.8
165.12776	2.9
173.02138	3.3
175.11118	1.5
177.12747	37.7
179.14265	1.3
183.00540	1.9
187.14943	2.1
195.13834	21.2
197.13286	1.4
211.03644	3.3
213.14905	4.1
215.14278	1.8
219.21133	2.1
227.12752	3.6
229.04771	2.0
229.14424	4.4
230.14642	2.6
233.15379	6.5
237.22153	19.4
249.14799	2.2
251.16429	58.1
269.17502	36.9
275.20035	2.8
311.25812	54.6
312.26340	2.0
313.27405	11.8
314.27631	7.5
331.13123	2.6
349.14127	15.3
349.23767	2.1
367.24277	1.3
387.15396	3.3
391.22409	1.9
405.16888	18.5
423.17740	11.6
430.81342	1.6
447.25153	2.9
467.37216	1.9
468.37634	2.9
487.37680	12.3
505.38901	46.5
508.40768	3.7
542.44800	1.8
543.41333	1.5
547.39587	3.7
561.41730	2.7
588.47443	1.9
606.48053	2.2
659.38916	9.0
659.50830	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	659.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.01880	0.9
55.05508	1.8
56.12403	0.9
60.08160	1.3
65.03959	1.1
66.17742	0.8
67.05512	5.5
69.03415	1.1
69.07078	1.5
70.73516	1.7
71.07340	1.0
79.05481	3.0
80.05015	1.5
81.03407	6.9
81.07069	4.5
82.06583	1.3
83.04992	1.8
83.08636	1.3
85.02893	1.3
85.06543	3.2
86.09697	4.9
89.03909	1.0
91.04981	0.8
91.05489	5.4
93.07059	5.5
94.06561	5.3
95.04960	2.4
95.07348	3.5
95.08591	2.4
96.08132	6.8
97.02834	2.1
97.06554	1.8
97.10161	1.0
98.21423	1.0
103.05453	1.4
105.07032	3.7
106.06546	1.7
107.04951	1.3
107.07343	0.9
107.08575	2.4
108.08125	7.0
109.02842	1.4
109.10133	1.6
110.09697	10.8
116.04994	3.5
119.08553	2.3
120.04512	0.9
120.08113	8.6
121.02858	1.2
121.10150	2.6
122.06034	5.6
124.07556	5.8
125.00026	4.0
127.03906	2.6
129.06976	1.6
131.08575	1.2
133.10130	2.5
134.05977	1.4
136.07579	7.3
137.05969	1.1
137.09659	2.0
138.09134	14.0
143.08658	1.0
144.04422	7.2
146.05974	2.5
147.08060	1.0
147.11674	2.1
148.07587	3.6
150.05452	1.4
153.01855	3.9
155.08673	1.0
158.06075	1.0
160.03944	2.7
162.05557	3.2
166.08632	16.1
170.09648	4.5
172.03932	31.8
172.07550	1.4
175.08777	1.1
175.11159	1.2
184.07343	14.1
187.12254	5.6
190.04979	6.1
193.12209	3.6
197.10728	1.4
198.09171	22.6
200.09381	2.6
204.06564	41.9
209.10777	1.0
211.13336	1.9
212.10728	3.1
215.11781	23.2
218.07945	1.2
220.09793	1.3
225.10234	2.5
226.08704	6.0
227.08185	1.6
227.11775	2.7
229.13315	0.9
236.09175	1.1
237.10316	5.3
239.08182	1.2
239.11819	1.5
240.10184	1.3
241.09705	2.7
242.10544	2.8
243.11295	100.0
244.11729	0.9
249.10318	1.3
250.10927	1.1
251.08200	3.7
252.08835	1.2
253.09567	1.2
255.11299	6.4
257.12872	6.2
265.09708	8.1
267.11313	2.4
269.09250	1.5
279.11240	2.2
280.08203	1.0
283.07794	0.9
283.10745	1.9
285.12341	97.8
286.12631	2.0
287.05484	16.3
287.10278	1.7
293.09100	2.1
295.10706	2.6
297.12311	1.9
298.09409	1.3
301.11765	5.7
303.05167	9.9
303.13385	88.4
304.13846	1.7
311.10211	12.1
321.08652	1.6
325.11768	10.0
339.09726	17.5
339.13266	1.0
343.13101	1.1
353.11215	1.2
357.10510	1.2
357.14444	3.8
358.15500	1.5
364.31140	0.9
367.12860	2.0
369.76651	1.1
371.12396	23.9
373.14124	1.0
418.17569	2.3
430.17572	2.4
458.16803	1.1
460.19312	1.5
462.16806	5.0
470.16879	2.1
474.16623	3.3
476.18158	4.6
488.17899	1.2
494.19006	2.4
504.17560	5.6
505.18091	1.7
506.18958	2.9
536.20123	2.4
537.20953	1.1
583.25647	2.2
595.22046	2.9
599.24585	2.0
613.26178	2.0
623.24652	1.1
627.24091	5.5
641.25879	13.6
659.32825	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	658.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01870	9.5
55.05514	37.6
57.03440	20.5
57.07082	44.0
59.04994	3.5
65.03938	3.2
67.05508	98.0
69.03436	2.3
69.07069	41.2
71.04973	5.0
71.08634	31.7
71.52248	3.0
72.14024	1.9
78.12357	2.1
79.05498	38.3
81.03417	7.2
81.07062	83.9
83.04982	8.3
83.08624	39.2
85.06536	5.5
85.10190	14.6
87.04475	2.6
89.06039	15.8
91.05484	33.8
93.07050	45.3
95.04963	8.7
95.08613	48.1
97.06538	9.1
97.10172	23.9
98.98477	30.2
105.07034	28.4
107.04941	4.3
107.08604	29.8
108.08867	2.5
109.06503	4.9
109.10163	52.1
111.08076	6.2
113.00025	3.3
117.07017	9.1
119.08583	22.1
121.06522	3.6
121.10150	16.5
123.11712	7.0
125.09617	10.9
131.08594	11.5
133.08617	10.2
133.10141	12.2
135.08076	4.5
135.11714	10.6
136.99976	1.9
137.09596	4.0
137.13252	2.7
143.08504	3.1
145.10139	6.8
147.11693	8.9
149.09650	5.3
149.13255	16.2
155.01060	16.6
155.10710	3.2
157.10165	2.7
159.11731	9.6
161.13242	2.8
163.11249	3.0
167.14273	2.2
173.11754	8.9
173.13167	2.4
175.11165	2.5
177.11327	3.9
177.12744	11.4
179.14328	3.8
187.14801	2.2
189.11188	3.7
195.13809	8.2
227.12816	18.5
229.14348	54.1
233.15312	2.8
237.22211	5.3
239.17868	2.8
239.23657	4.2
251.16418	19.4
257.19174	5.5
269.17493	29.5
275.20059	30.4
293.21179	4.4
294.96619	2.1
311.25745	15.6
313.27383	100.0
349.14035	4.9
349.23715	19.3
367.24680	14.8
405.16727	7.9
423.17798	4.9
440.26590	2.0
447.25345	2.6
459.27722	2.2
467.37366	36.3
469.24579	2.1
487.37833	4.2
491.41068	2.8
505.38586	16.2
507.40479	23.7
546.37537	9.8
547.39117	3.1
587.46802	15.1
605.47943	11.4
658.37250	6.4
659.39111	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	657.436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.5
53.03720	1.8
53.03949	9.3
54.19504	1.6
55.01876	20.6
55.05513	46.2
57.03434	10.8
57.07064	2.8
59.05007	3.2
65.03944	6.6
67.05508	95.3
68.05849	1.8
69.03436	12.7
69.07073	49.6
69.95338	1.5
70.07458	5.6
71.04998	9.1
74.29715	1.7
77.03921	1.8
79.05499	82.1
81.03417	12.5
81.07062	100.0
83.04977	15.5
83.08627	19.2
85.02912	2.2
85.06549	6.0
91.05489	80.3
92.05827	2.3
92.60912	1.5
93.07050	69.4
95.01365	2.2
95.04973	22.7
95.08614	56.4
95.41985	1.6
96.05772	1.5
97.02898	6.4
97.06532	26.1
97.10181	19.6
99.08092	4.2
103.05448	2.9
104.06222	1.7
105.04513	2.8
105.07037	68.3
107.04950	21.9
107.08598	47.5
109.02876	2.3
109.06541	16.2
109.10159	30.9
111.04455	4.0
111.08069	7.4
115.05468	7.4
117.07025	30.0
119.04974	1.6
119.08591	57.0
121.06493	10.5
121.10144	23.0
123.08092	14.5
123.11681	8.1
125.09610	17.3
128.06235	6.0
129.07010	13.6
130.07771	2.0
131.08592	32.5
133.06528	8.6
133.10139	43.4
133.11098	3.0
135.08083	12.5
135.11697	12.0
137.09618	8.8
139.07567	1.7
139.11203	2.9
141.07010	5.4
142.07822	2.3
143.08559	17.5
145.06490	5.0
145.10130	33.6
147.08087	9.3
147.11705	23.7
149.09642	23.6
149.13260	8.0
151.11220	12.0
153.09077	2.0
153.12717	1.6
155.08578	4.9
157.10130	12.7
159.08080	3.2
159.11725	19.6
161.09648	7.0
161.13304	6.2
163.11212	12.2
165.09102	3.6
165.12758	3.5
167.08545	1.9
169.10188	6.9
169.12302	2.1
171.08118	1.7
171.10399	1.8
171.11697	10.2
173.09653	6.7
173.13243	9.2
175.11214	7.2
175.14864	2.9
177.12790	5.1
179.10692	4.0
179.14368	3.0
183.11668	6.4
185.13239	5.6
187.11191	2.6
187.14848	2.8
189.11224	6.3
189.12741	3.8
189.16277	2.3
193.12344	2.1
195.11835	3.5
195.13876	4.7
197.13313	5.2
199.11227	4.4
199.14882	2.9
201.12837	3.0
203.14349	2.4
205.12178	2.7
211.14760	1.9
213.16464	2.6
217.15924	2.9
223.13229	11.2
227.12714	10.1
227.17952	2.8
229.14372	2.3
229.19498	1.9
231.17532	2.0
237.16458	3.9
239.18040	3.0
245.19067	7.0
247.20589	5.3
249.14841	2.6
253.14342	9.7
255.17430	5.1
257.19022	10.5
263.20117	3.2
267.16080	2.3
273.18497	33.9
273.21283	2.9
275.20074	56.8
277.21503	5.3
291.19562	85.9
292.20026	1.9
293.21011	6.0
309.20468	2.1
313.21432	2.1
347.22119	9.2
349.23746	30.0
358.81104	2.4
365.23267	21.9
367.25079	1.8
395.29614	1.7
461.29166	2.4
529.35687	1.8
541.34857	4.1
545.38635	3.9
559.36371	12.2
621.41272	5.1
639.42639	34.7
657.43738	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	657.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.6
55.01875	28.9
55.05516	55.0
57.03439	13.2
57.07079	3.8
59.04992	2.8
65.03939	5.2
67.05508	100.0
68.05853	1.6
69.03445	7.5
69.07072	50.4
70.51441	1.6
71.04433	1.8
71.05014	9.5
71.08630	3.4
77.03906	1.6
79.05498	84.6
81.03419	13.4
81.07062	83.5
81.28152	1.5
83.04987	15.7
83.08627	20.6
85.06539	5.6
87.04482	2.1
88.14239	1.7
90.18088	1.5
91.05487	80.8
93.07049	69.0
95.04984	24.3
95.08610	45.7
95.09201	1.6
97.02926	7.7
97.03452	1.5
97.06537	27.9
97.10176	21.8
99.04429	2.5
99.08083	2.3
103.05486	3.9
105.04520	3.0
105.07043	72.7
107.04961	25.9
107.08602	57.1
109.06516	13.4
109.09470	2.6
109.10168	33.3
111.04436	3.9
111.08074	7.6
115.05460	4.6
116.06240	1.8
117.07024	26.8
119.04951	2.0
119.08595	43.0
121.06544	10.7
121.10145	22.2
123.08092	12.2
123.11708	6.2
125.09639	18.7
127.11102	1.9
128.06239	4.6
129.07004	13.4
130.07806	3.8
131.08577	33.6
133.06485	6.4
133.10146	41.3
135.08067	14.3
135.11700	14.4
137.06047	1.9
137.09610	8.0
139.07570	2.8
139.11279	3.4
141.07007	4.1
142.07826	2.2
143.08585	15.7
145.06487	4.1
145.10133	30.6
147.08102	9.0
147.11687	21.5
149.09637	30.2
149.13271	5.7
151.11194	9.8
153.09158	3.6
155.08586	6.5
157.06503	2.0
157.10129	10.1
159.08073	3.9
159.11693	19.6
161.09605	6.9
161.13300	9.6
162.01772	1.6
163.11235	13.9
165.09131	5.4
165.12787	2.7
169.10098	5.9
169.12251	2.6
171.10338	2.6
171.11665	11.7
173.09543	2.8
173.11868	3.1
173.13289	7.2
175.11235	7.1
177.09116	3.1
177.12781	6.4
179.14296	5.6
181.10121	3.4
183.11714	6.6
185.13263	6.5
187.11180	3.7
187.14877	3.9
189.11243	12.3
189.12752	3.3
193.12244	4.5
195.11739	2.7
195.13670	1.6
197.13251	5.9
199.14888	2.5
201.12798	4.3
203.14220	2.6
205.12267	1.8
209.13237	2.2
211.14943	3.4
213.16409	2.2
215.14436	2.9
217.12070	1.6
223.13181	8.3
227.12790	25.7
227.17989	3.3
229.14182	4.0
229.19521	2.2
239.17993	5.9
245.18994	4.1
247.20496	2.8
249.14789	3.2
253.14352	6.1
257.18945	12.6
259.20636	3.8
263.20135	5.0
273.18497	29.5
275.20093	67.6
276.20624	1.7
277.21524	4.7
289.18124	2.4
291.19556	79.6
292.20139	3.0
293.21164	8.7
309.20831	2.2
329.21152	2.8
331.22668	3.3
347.22150	5.2
349.23755	29.3
365.23230	26.5
405.54462	1.5
411.28696	1.9
426.27924	1.7
434.32983	1.6
461.29004	1.7
485.32590	2.3
527.33594	2.7
535.33124	2.3
541.35272	1.8
543.36578	1.9
545.35632	3.4
559.36212	5.2
565.38550	2.3
621.41785	7.8
639.42584	51.3
657.27979	4.8
657.43988	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	657.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14370	1.2
51.02368	2.0
53.03943	6.9
55.01876	25.6
55.05515	41.2
57.03439	8.9
57.07072	2.6
59.05003	1.9
65.03934	4.1
67.05512	64.2
67.73141	1.2
69.03127	1.1
69.03432	11.0
69.07073	42.5
71.04430	1.6
71.04727	1.7
71.04980	4.7
71.08656	1.4
74.79023	1.1
79.05499	68.4
81.03420	9.3
81.07062	63.6
83.04987	9.2
83.08631	18.3
85.02894	2.0
85.06531	4.2
86.19471	1.2
91.05488	58.0
93.03409	1.4
93.07048	51.3
95.01311	2.5
95.04976	18.5
95.08613	38.6
97.02910	6.2
97.06013	1.6
97.06548	23.0
97.10172	20.2
99.08111	2.8
103.05463	2.2
105.04503	2.5
105.07038	52.9
107.04969	20.8
107.05653	2.4
107.07878	2.1
107.08601	40.5
109.06534	14.5
109.10163	18.3
111.04432	2.0
111.08086	6.7
113.05996	2.3
115.05464	3.8
116.13001	1.1
117.06236	1.5
117.07022	18.6
119.04871	1.3
119.06084	1.8
119.08588	32.7
119.09404	1.2
121.06537	9.1
121.10143	17.7
123.04373	1.8
123.08073	9.3
123.11688	6.2
125.06011	1.4
125.09644	17.6
128.06213	2.6
129.07025	9.8
130.07793	1.6
131.08582	20.6
133.06516	6.8
133.10138	26.2
135.08046	13.0
135.11696	10.8
137.09598	5.4
141.06967	2.4
142.07761	3.6
143.08571	9.4
145.06485	3.7
145.10124	21.2
147.08078	8.2
147.11699	16.2
149.09634	17.7
149.13271	6.6
151.11143	6.0
153.09042	2.1
153.12759	1.8
154.07635	1.4
155.08560	3.7
157.10124	10.5
159.08058	2.6
159.11679	13.1
161.09627	5.0
161.13234	3.4
163.11220	8.5
163.14955	1.5
165.09128	5.1
165.12772	3.2
169.10132	4.4
169.12206	1.8
171.08109	1.2
171.10361	1.8
171.11673	8.3
173.09636	3.3
173.11899	1.3
173.13280	5.6
175.11189	6.0
177.12733	6.4
179.08496	1.5
179.14301	3.2
181.10072	1.5
183.11667	4.3
185.09636	1.7
185.13268	2.7
187.11188	2.8
187.14832	2.0
189.11214	8.5
189.12720	2.7
191.14224	1.3
193.12227	1.7
195.11655	3.7
195.13794	2.1
197.13278	2.9
199.11169	1.8
199.14824	1.9
201.12720	1.7
205.12195	1.8
207.13754	1.9
211.14891	1.7
213.12740	1.5
223.13266	12.8
227.12766	14.8
227.17892	2.2
229.09949	1.3
229.19508	3.5
233.15408	1.6
239.17918	2.4
245.19075	2.7
247.20609	2.4
249.14890	2.0
253.14409	1.9
255.17604	1.3
257.18951	9.8
263.20090	2.5
267.15820	1.7
273.15817	2.0
273.18527	24.2
275.20071	57.1
277.21664	1.6
291.19559	100.0
292.19934	1.8
293.21057	4.6
329.20822	1.5
331.22833	2.5
347.22101	5.6
349.23785	30.5
365.23230	23.2
367.24799	2.1
395.29102	1.5
410.45651	1.3
461.29044	1.2
511.15903	1.4
523.15656	2.1
535.31964	1.7
541.35101	2.7
545.38580	2.6
547.37653	1.5
557.34924	1.5
559.36066	5.6
593.41650	1.2
597.20679	1.9
621.26617	2.0
621.41193	5.3
639.42615	43.1
640.42224	1.2
657.21716	8.9
657.43701	22.5
658.22369	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	657.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.2
55.01879	17.1
55.05513	34.7
57.03436	29.2
57.07073	4.3
59.05000	6.9
61.02927	5.5
65.03935	5.0
67.05508	100.0
69.03436	31.1
69.07081	19.6
70.08957	5.0
70.09348	6.0
71.01340	4.4
71.04987	15.8
73.02921	25.2
75.68820	3.0
79.05499	50.8
81.03424	50.7
81.07059	77.3
83.04985	31.7
83.08614	21.7
85.02900	38.3
85.06545	6.2
91.05484	39.1
93.07048	47.8
94.50457	2.4
95.04984	16.2
95.08617	22.4
97.02890	20.6
97.06543	18.1
97.10158	12.1
98.21078	5.9
99.04440	7.7
99.08100	3.7
105.07034	15.1
107.04974	18.5
107.08593	27.6
109.02886	12.7
109.06519	6.8
109.10169	58.0
111.04453	11.1
111.08073	9.5
113.06049	3.0
115.03928	3.5
116.04718	7.2
117.07052	14.0
117.07764	2.1
119.08591	17.7
121.06507	5.5
121.10149	16.3
123.04436	3.1
123.08075	2.9
123.11742	3.5
125.05977	2.6
125.09645	12.6
127.03918	13.1
129.05473	24.5
129.07005	5.8
131.03348	4.5
131.08577	13.5
133.10156	16.4
135.04425	10.5
135.08041	4.4
135.11699	9.3
137.09628	4.0
143.07033	6.8
145.10150	3.6
147.11681	13.2
149.09630	4.2
149.13264	16.2
153.05508	6.7
155.10643	6.0
157.08665	8.8
157.10112	3.9
159.11725	8.3
163.11159	3.2
165.12857	3.4
171.10258	2.9
173.04451	9.0
173.11763	15.5
175.11108	3.9
177.12723	5.8
181.04903	3.3
185.11606	3.2
189.11342	2.9
193.12204	6.7
195.13893	11.6
199.06052	2.9
199.13319	4.1
209.11769	4.7
211.13234	5.5
217.07079	5.4
227.12785	7.0
229.14351	44.4
255.15692	3.8
267.15912	6.1
269.17520	44.5
283.15485	3.1
285.17145	5.6
301.16614	4.4
413.21677	5.1
423.27396	79.7
442.27066	3.0
460.27908	4.8
477.28455	5.6
495.29346	8.7
657.34705	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	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
87.07967	1.5
90.96796	1.1
144.08189	1.3
171.51491	1.3
203.82597	1.2
207.09377	1.4
234.11743	1.3
235.12218	2.0
247.12302	1.5
248.13046	1.4
261.13834	2.8
273.13873	3.3
275.15390	1.9
288.15756	1.3
302.16446	1.5
316.14227	1.5
350.16232	1.5
352.13974	1.5
352.18085	1.5
364.17542	2.0
365.17953	3.0
368.17517	2.1
377.17966	2.7
378.19373	2.0
379.19318	4.2
381.20767	1.9
384.16760	1.4
391.19547	6.3
392.20334	2.4
393.16968	4.2
393.21066	3.7
394.17636	2.0
403.19498	1.7
405.16452	1.4
405.21194	2.5
407.18201	3.9
407.22452	4.3
408.19406	3.8
409.20114	4.6
419.18546	2.3
421.19647	7.4
422.20865	4.4
423.21869	20.4
424.22369	2.1
432.19003	1.5
433.20474	1.7
434.21036	2.8
435.22171	8.4
436.22372	3.8
437.23383	4.5
447.21863	3.3
449.23569	4.0
450.24039	4.1
451.21411	5.3
452.22159	1.8
454.20102	3.6
461.23825	6.5
463.21100	4.0
464.21823	2.4
465.22620	4.0
467.24579	2.9
468.25116	1.6
477.23126	6.1
478.23151	2.0
479.24335	5.6
481.22183	2.8
493.21945	3.9
493.25879	1.6
494.26337	6.8
495.23541	13.8
496.24734	7.0
504.24347	1.4
505.22614	1.4
508.24728	13.9
509.25674	10.1
510.26431	10.2
511.27411	13.0
519.23956	2.5
521.25952	7.3
522.25800	1.6
523.23700	4.9
525.29333	3.0
526.29047	3.9
537.24982	23.6
538.25690	11.0
539.25751	1.7
549.24695	3.0
551.22595	3.3
553.28540	12.2
555.25848	2.7
565.24561	5.8
566.24640	3.3
570.28259	7.0
581.27698	30.0
582.26105	2.7
583.25641	11.2
595.29358	1.8
596.28040	1.5
597.27161	55.2
598.27881	11.9
607.25128	2.6
613.30243	88.0
614.30389	2.7
625.26599	100.0
626.26563	4.3
657.29474	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	656.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.7
55.01866	5.2
55.05313	2.2
55.05517	23.6
57.03439	19.1
57.07079	48.0
63.13230	2.4
65.03933	4.3
67.05507	69.4
69.07070	65.6
69.55811	2.2
70.69936	4.8
70.70266	5.0
71.04993	19.3
71.08289	3.1
71.08634	33.9
73.02913	4.8
79.05073	3.8
79.05497	56.7
81.03405	8.6
81.06596	4.2
81.07060	69.5
83.04963	10.9
83.08627	17.8
85.06542	4.1
85.10189	19.6
89.06045	2.3
91.04990	2.9
91.05493	40.7
93.06495	3.5
93.07046	51.7
95.05003	14.1
95.08610	55.2
97.05931	5.1
97.06535	100.0
97.10181	5.7
99.08055	4.1
105.07034	27.4
107.04942	11.8
107.08597	18.3
109.06531	14.9
109.10171	21.1
111.08064	5.8
115.05387	3.4
115.07566	40.8
117.07030	19.1
119.08589	14.0
121.06492	6.1
121.10171	11.9
123.08015	6.8
123.11681	8.8
127.07488	4.4
129.06984	6.0
131.08582	14.1
133.10117	13.4
135.08032	9.8
135.11732	7.7
137.09627	4.5
143.08551	6.4
145.10124	10.8
147.08025	5.2
147.11658	7.0
149.09604	4.4
149.13254	7.1
151.11224	3.8
157.10092	6.7
159.11684	10.6
161.09671	4.8
169.10100	3.6
171.11630	6.9
172.12083	2.7
175.11198	6.5
177.12733	8.6
179.10756	2.7
185.13229	3.6
195.13815	3.3
203.14435	2.8
217.15848	9.4
233.15358	4.7
239.23723	4.9
253.14278	10.7
255.17476	2.7
257.24866	3.5
269.17529	12.3
273.18527	29.9
291.19653	16.0
313.27377	77.6
339.39313	3.1
341.26846	8.8
347.22186	7.1
365.23196	9.7
472.07516	2.7
507.33551	4.1
507.40515	57.1
535.40082	5.4
544.40723	15.6
545.42499	3.6
603.45776	8.6
621.47552	4.4
638.12134	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
53.34129	0.4
55.01874	1.1
55.05505	0.7
60.34451	0.5
63.87202	0.5
67.05489	2.2
69.03423	4.6
69.07061	1.5
69.97433	2.8
70.06574	1.0
73.02911	0.5
79.01847	2.2
79.05507	0.7
81.07055	2.8
84.08117	0.5
84.35374	0.5
85.02901	2.0
85.06527	0.5
86.09687	0.6
91.05466	1.3
93.07055	1.5
95.04993	0.6
95.08604	3.3
97.02908	4.1
98.59209	0.5
105.07030	0.9
107.01300	0.7
107.08591	2.0
109.02857	0.8
109.10171	7.4
115.03874	1.2
117.67748	0.6
119.08628	4.0
121.10152	1.5
123.08057	1.1
125.02351	1.4
127.03928	1.2
129.07076	0.5
133.10103	1.7
135.11713	9.0
137.05978	0.9
137.09653	1.4
143.03410	3.4
151.11171	0.7
151.14807	1.9
153.01837	100.0
153.02837	3.9
153.12625	0.6
154.02176	1.4
168.09309	0.5
171.02982	1.6
175.14803	4.4
193.15898	5.5
195.02965	0.7
197.08344	0.5
211.16963	6.8
237.04012	0.9
285.06058	29.2
364.56210	0.6
490.25385	0.6
495.13428	0.8
537.47076	0.7
646.58661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24893	1.0
56.76270	1.0
67.05512	1.2
68.19547	0.9
69.78382	5.4
74.67937	1.0
79.05509	1.0
81.07075	1.6
91.05470	0.9
132.08144	1.8
144.08061	1.2
158.09622	1.4
194.52370	0.9
197.10710	1.3
204.13832	1.4
209.10695	1.7
221.10660	1.3
223.12361	1.5
224.00757	0.9
235.12375	1.6
236.13118	0.9
237.14063	1.5
245.10732	1.1
247.12337	2.5
249.13969	1.8
258.11539	1.0
261.13913	2.9
263.15759	1.0
264.15027	1.1
273.13898	1.7
274.13446	1.1
275.11493	1.0
275.15283	1.3
300.15054	1.6
304.14407	1.6
314.16638	2.0
318.16098	1.3
324.15128	1.1
325.15741	1.2
326.16599	1.6
332.17593	1.4
336.14972	1.1
338.16458	1.9
339.17349	1.5
340.14355	1.1
349.15195	1.1
351.16666	1.2
352.18042	2.0
353.18561	2.0
354.19937	1.9
361.14902	1.2
362.16052	1.8
363.16824	2.0
364.17975	1.7
365.17798	3.9
366.19232	1.9
368.21146	1.2
370.15726	1.1
375.16068	2.8
376.17865	2.6
377.18167	4.9
378.18909	3.3
379.15216	0.9
379.19434	6.2
380.20642	1.2
389.18130	1.6
390.19287	1.7
391.19724	4.9
392.20255	3.4
393.17102	4.2
393.20950	3.8
394.17810	2.5
395.18365	1.8
402.19595	1.3
403.19794	1.8
404.16153	1.7
405.21619	4.6
406.21539	3.1
407.18402	4.3
407.23318	5.0
408.19305	5.6
409.20282	7.5
417.17242	1.7
418.17300	1.2
419.18860	4.3
420.19235	3.2
421.19717	8.7
422.21133	7.2
423.21896	23.4
424.22394	2.2
426.21591	1.4
433.20465	1.5
434.21515	2.2
435.22147	8.8
436.22992	5.7
437.24179	5.4
446.21002	3.3
447.21466	3.5
449.23178	5.9
450.23920	3.7
451.20914	6.7
452.22473	1.6
454.20102	5.8
460.22803	1.4
461.23795	8.5
462.20761	1.8
463.21249	4.4
464.21811	2.0
465.23343	5.0
466.23581	2.1
467.24271	4.2
468.25104	3.9
475.21777	1.1
476.22855	1.6
477.23111	7.1
478.23459	3.6
479.25174	8.2
480.21161	1.3
481.22568	4.4
483.23489	1.2
491.20920	1.6
493.21228	7.0
493.27032	1.5
494.27469	6.5
495.23450	15.0
496.24585	4.6
497.25681	1.2
505.22394	1.8
507.23593	3.4
508.24915	17.8
509.25757	15.2
510.26450	14.0
511.27298	14.5
516.24719	1.9
519.23969	2.3
521.25897	6.5
522.25623	3.6
523.23260	7.2
525.28589	2.7
526.29004	2.0
537.25024	22.0
538.25909	11.4
539.26440	1.5
545.38159	1.8
549.25000	2.6
551.23090	2.5
553.28473	13.0
554.26221	1.4
555.26062	2.3
565.24615	5.3
566.25189	2.2
570.28589	4.7
581.27576	27.3
582.26862	2.0
583.25568	7.3
596.27570	2.3
597.27161	57.3
598.27789	7.4
607.26276	1.3
613.30212	71.9
614.30133	2.6
625.26593	100.0
626.26746	3.8
657.29266	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	656.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09827	1.7
53.03933	6.1
55.01868	4.2
55.05512	25.9
57.03189	2.9
57.03442	29.7
57.07080	48.2
59.05006	1.8
65.03946	2.3
67.05508	59.9
69.03419	5.4
69.07072	25.2
71.04991	13.3
71.08637	33.3
76.68701	1.8
79.05074	3.3
79.05495	44.4
81.03419	24.1
81.07060	74.5
83.04984	12.2
83.08633	19.8
85.02880	4.8
85.06552	5.4
85.10188	16.0
87.04442	2.7
89.06019	3.1
91.05492	32.8
93.07047	42.3
95.04983	20.9
95.08608	48.8
97.06523	15.3
97.10181	10.9
99.08083	12.8
105.07035	23.4
107.04969	12.3
107.08604	18.5
109.06519	34.6
109.10154	21.8
111.04448	2.2
111.08071	5.4
111.11755	2.2
113.05970	5.5
117.07008	15.1
119.08578	15.3
121.06500	13.7
121.10144	17.7
123.07211	2.8
123.08074	38.6
123.11707	6.7
125.05927	2.2
125.09647	11.6
127.07567	10.6
128.06227	3.5
129.06989	8.3
131.08575	16.5
133.06496	3.0
133.10126	8.6
135.08031	6.1
135.11693	5.5
137.09608	6.0
139.11176	5.3
141.06973	4.3
141.09145	2.4
143.08568	7.2
145.10129	11.4
147.08067	5.9
147.11703	7.2
147.68674	1.6
149.09625	10.4
149.13290	4.1
153.09105	6.8
155.08578	2.9
157.10133	6.1
159.08104	2.9
159.11707	7.6
161.09610	7.1
161.13161	4.2
163.11188	6.8
165.09138	4.6
165.12717	3.7
169.10149	2.8
171.11726	6.6
173.13274	2.4
175.11183	4.8
177.12717	6.0
179.10614	2.1
179.14359	2.0
184.20668	1.9
185.13281	5.3
187.11188	6.1
193.12297	2.4
197.13443	2.3
199.11261	2.2
199.14749	2.3
201.12784	3.2
203.12767	3.5
205.12251	5.4
207.13942	2.2
213.15002	3.6
217.15952	2.5
219.13776	4.3
220.34630	1.9
221.15355	10.4
223.13261	5.4
227.12874	2.5
239.16336	2.8
239.23679	6.0
241.14429	12.0
245.19246	2.5
255.17372	3.9
257.24759	3.5
259.15347	3.6
267.16040	2.6
273.18515	22.9
291.19586	33.7
309.20453	3.6
313.27377	100.0
347.22128	5.1
365.23239	5.1
383.24075	4.2
402.92319	2.2
443.96317	2.1
479.37036	2.3
545.41827	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	656.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53709	2.0
53.03941	4.3
55.01865	6.7
55.05516	23.9
55.14288	2.2
55.29950	1.9
57.03427	3.8
67.05510	27.3
68.05834	2.1
69.03410	8.9
69.03725	2.0
69.07066	6.0
69.27439	11.7
69.27840	5.0
71.04977	3.9
78.61743	2.2
79.05083	2.0
79.05496	25.5
80.29617	1.7
81.03416	10.8
81.07059	25.5
83.04975	5.8
83.08627	15.7
84.04491	2.3
85.02895	3.1
85.06544	2.2
91.05492	21.8
93.07041	15.5
95.01349	2.0
95.04963	4.4
95.08593	8.9
97.06506	2.3
97.09640	2.5
97.10179	24.6
99.04467	2.5
103.05513	12.3
105.07040	22.9
107.04964	7.0
107.08607	12.7
109.06500	3.1
109.10167	7.3
115.05424	6.1
117.07021	32.3
119.08566	14.1
121.06525	3.3
121.10133	3.4
123.08051	2.3
125.09636	24.1
128.06226	2.9
129.06985	10.1
131.04890	2.9
131.08575	23.4
133.06500	6.8
133.10117	4.8
135.08023	6.9
137.09579	2.0
137.78827	2.3
141.06975	5.8
143.08551	7.9
145.06459	7.6
145.10097	8.8
147.08076	2.3
147.11685	2.1
149.09613	3.5
153.09061	4.0
155.08557	8.1
157.06500	5.0
157.10165	4.0
159.08046	4.0
159.11664	3.5
167.08563	3.3
169.10100	5.1
171.08081	4.1
171.10262	2.5
171.11674	3.9
173.13347	2.9
182.10843	1.9
185.13121	2.3
187.14824	9.0
189.11232	9.3
193.12135	2.7
195.11713	3.0
197.13263	10.2
199.11029	2.0
201.12631	2.6
213.12785	3.0
215.14339	30.4
227.12799	21.2
233.15343	2.4
239.14389	2.6
257.58557	1.9
296.02008	2.2
299.57779	1.9
316.96390	1.9
339.23300	3.9
349.21402	5.4
367.22617	13.4
385.23776	7.6
403.24457	2.5
441.26434	46.7
441.32562	1.5
459.27469	100.0
460.27448	4.5
461.28741	2.3
462.29150	4.4
473.96347	2.1
477.28244	14.9
600.52222	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	655.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.9
55.01877	9.1
55.05516	22.3
55.05762	1.2
57.03437	3.3
57.07050	1.0
59.04976	1.4
65.03912	2.5
66.04697	0.7
67.05511	31.4
67.05850	1.0
69.03439	9.0
69.07073	31.1
70.52135	0.7
71.04963	2.4
71.08572	0.5
71.51228	1.2
73.02898	0.7
77.03905	0.7
79.05499	29.3
81.03429	6.6
81.07066	23.6
83.04987	5.1
83.08628	7.2
83.88213	0.6
85.06515	1.5
91.05488	22.2
93.07054	22.0
94.04179	0.6
95.01333	1.1
95.04982	10.6
95.08083	1.0
95.08615	12.7
96.69272	0.6
97.02910	7.7
97.06539	5.1
97.10172	9.9
98.17164	0.7
99.08072	0.7
103.05466	1.4
104.24697	0.6
105.04485	1.6
105.07034	17.4
107.04312	1.0
107.04969	12.5
107.08598	15.4
109.02830	1.2
109.06510	4.0
109.10168	8.1
111.04410	1.6
111.08056	2.3
115.05428	2.2
117.06387	0.7
117.07026	8.8
119.04905	2.3
119.08591	14.7
121.06506	4.4
121.10146	5.3
123.04364	1.5
123.08078	5.2
123.11687	1.0
125.09640	7.3
128.06215	1.8
129.06966	4.9
130.07759	1.2
131.04893	1.0
131.08571	10.6
133.06493	6.0
133.10127	8.0
134.07237	1.1
135.08075	4.3
135.11681	3.3
137.09579	2.6
137.13358	0.6
139.11240	0.8
141.06955	2.1
142.07779	1.2
143.08595	5.3
144.16963	0.6
145.06433	1.9
145.10146	6.5
147.06975	0.8
147.08061	8.9
147.11691	4.3
149.09641	3.6
149.13271	2.9
151.07613	0.7
151.11154	1.3
153.09079	2.1
155.08527	1.3
157.10162	4.0
159.08002	1.9
159.11703	3.6
161.09615	5.0
161.13194	1.4
162.10416	2.0
163.11162	2.5
165.09081	2.7
165.12706	0.9
169.10115	2.0
171.11653	2.7
173.09613	2.0
173.11804	0.8
173.13269	0.9
175.11195	10.4
177.12759	2.4
179.10640	0.7
181.10091	1.3
183.11621	1.3
185.13283	1.4
187.11159	1.0
187.14819	0.7
189.11200	3.1
189.12706	1.2
193.12257	1.2
195.11832	1.2
195.13759	1.3
199.11081	0.6
203.14334	0.8
205.12242	1.9
213.12802	0.6
221.15236	0.6
223.13300	12.9
227.12788	4.0
227.17929	1.0
245.18961	3.1
249.14894	3.3
255.17467	1.4
263.20081	1.1
273.18509	25.2
275.20117	1.3
289.18027	1.0
291.19562	98.9
292.19937	2.3
295.66315	0.7
329.21121	0.9
347.22211	5.7
363.21710	1.8
365.23340	5.9
411.28967	1.1
419.24301	2.5
543.33301	0.8
557.34882	2.4
627.42181	0.9
637.41003	5.5
655.42072	100.0
656.42609	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.8
54.82053	1.1
55.01860	3.3
55.05513	15.9
57.03439	6.8
57.07079	39.2
57.10469	1.1
61.02938	9.6
65.03929	1.5
67.05185	2.2
67.05509	27.7
68.95621	1.4
69.03420	4.5
69.07074	11.4
71.04994	2.9
71.08634	31.9
73.02914	4.8
75.04481	2.8
78.33637	1.2
79.05497	13.7
81.03407	4.2
81.06598	2.0
81.07059	31.1
83.04972	4.4
83.08620	15.9
85.02925	9.3
85.10191	18.7
87.58920	1.2
89.06053	1.4
91.03942	7.8
91.05487	15.3
93.07047	14.3
95.04953	7.2
95.08067	2.1
95.08614	31.2
97.02901	6.2
97.06531	4.2
97.10184	6.5
98.21531	2.4
99.11716	1.3
103.05456	1.6
105.07039	10.9
107.04955	6.0
107.08596	6.4
109.02855	2.1
109.06508	4.7
109.10158	15.7
111.11723	1.7
115.05443	1.6
117.07028	6.1
119.08560	9.8
121.06435	2.6
121.10141	3.5
123.08036	3.3
123.11710	7.3
125.09654	2.1
127.03905	4.3
128.06239	2.9
129.07014	3.0
130.07796	1.2
131.08568	10.6
133.06439	2.0
133.10152	7.0
135.08052	3.0
135.11626	2.2
137.13268	2.8
141.07004	1.8
142.07814	1.6
143.08563	7.0
145.04947	3.4
145.10120	7.6
147.08040	3.0
147.11685	2.6
149.09663	3.0
149.13203	2.1
151.14832	2.0
155.08603	1.7
157.10130	3.2
159.08017	2.3
159.11684	3.5
161.09630	3.1
163.06027	5.5
163.07391	1.6
163.11185	2.0
169.10106	1.7
171.11678	2.7
173.09579	1.8
179.14424	1.6
185.09642	1.7
187.11217	1.4
223.13257	1.7
239.23717	29.6
257.24762	4.6
273.18597	9.3
275.20078	3.8
291.19501	9.7
307.37216	1.2
313.27365	100.0
331.28455	12.4
347.22266	3.4
365.23315	4.2
451.54776	1.3
475.32709	2.9
543.36493	3.9
555.05200	1.3
562.22430	1.7
577.24377	8.4
595.24255	1.4
606.23627	1.5
616.26538	1.5
623.24927	1.7
637.26477	2.3
637.40558	4.2
655.26605	7.5
655.41559	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.0
55.01866	15.2
55.05273	4.2
55.05515	55.9
56.93523	3.7
57.03437	23.3
57.07078	3.6
61.02930	5.1
64.42451	3.7
65.03939	5.2
66.83929	3.6
67.05505	86.8
69.03431	27.9
69.07063	27.7
71.04984	19.5
71.52061	6.0
73.02916	6.3
79.05490	58.7
81.03423	100.0
81.07058	83.0
82.07482	3.9
83.04984	42.8
83.08624	25.9
85.02903	20.0
91.05479	74.1
93.07048	63.0
95.04975	34.8
95.08604	38.3
95.74673	3.5
97.02905	20.8
97.06534	16.9
97.10182	28.0
99.04454	9.6
103.05477	5.7
105.07036	55.6
107.04941	15.6
107.08595	37.0
109.02878	14.1
109.06530	15.2
109.10161	22.7
111.04462	12.7
111.08081	9.8
115.05464	6.9
117.07035	28.8
119.04996	5.2
119.08598	41.2
121.06506	14.6
121.10122	28.6
123.04419	3.8
123.08098	9.0
123.11697	5.2
125.09642	23.2
127.03909	10.6
128.06207	7.6
129.05521	18.6
129.07034	28.0
131.04985	3.9
131.08595	37.4
133.06499	14.4
133.10168	22.2
133.36034	3.3
135.08090	11.4
135.11713	9.9
137.09631	4.0
141.06985	8.0
142.07823	4.3
143.08591	22.9
145.06482	11.0
145.10153	23.1
147.08070	14.4
147.11713	18.2
147.84628	3.8
149.09627	11.7
149.13237	3.4
153.09111	5.0
155.08568	10.8
157.10147	20.0
159.08090	9.7
159.11711	8.3
161.05991	6.2
161.09615	12.2
161.13191	5.9
163.11232	8.4
167.08508	5.3
169.10164	10.8
171.08000	5.7
171.11696	14.1
173.04515	20.1
173.05855	5.3
173.09676	6.1
173.13231	4.9
175.11203	9.9
181.10168	5.6
183.11674	7.4
185.09721	4.3
185.13263	13.3
187.14740	4.2
189.11232	9.9
191.10585	6.3
193.12228	22.3
197.09586	6.0
197.13300	10.1
199.14865	8.8
201.07614	5.4
201.12900	4.6
207.11671	4.5
209.11748	8.2
211.13304	14.5
217.15906	9.4
221.13260	5.4
223.14914	3.8
225.14777	6.4
227.12735	17.0
237.16238	4.4
267.15958	16.9
269.17484	7.0
271.13324	6.7
273.18539	5.6
275.20016	5.4
289.17804	4.8
333.22156	4.3
341.24823	6.7
351.23199	13.4
369.24387	27.3
387.25208	14.2
405.26324	5.5
425.26447	4.0
433.29559	7.7
435.27325	7.5
437.29041	5.6
443.27954	50.6
459.27252	4.8
461.29025	96.1
462.29788	3.9
475.30661	13.2
479.29895	5.0
493.31992	32.0
511.31952	4.2
605.32678	9.1
623.34314	4.1
637.34930	14.5
655.36829	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	655.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.0
55.01866	8.2
55.05515	26.3
57.03443	12.1
59.05021	3.9
59.18525	2.2
59.65452	2.3
65.03936	5.8
67.05508	60.7
69.03432	18.9
69.07071	14.0
71.05000	40.6
73.02898	2.1
79.05495	48.9
79.97922	2.4
81.03426	100.0
81.07063	87.3
83.04990	20.4
83.08630	23.3
85.02926	19.3
85.06538	6.6
91.05487	64.9
93.07047	35.3
95.04976	32.1
95.08607	22.3
97.02902	11.2
97.06524	14.4
97.10182	7.7
98.21489	4.6
99.04470	7.0
105.07037	39.8
107.04982	13.3
107.08601	21.5
107.35947	2.3
109.02908	18.4
109.06532	8.8
109.10178	9.4
111.04441	12.1
111.08099	11.6
113.06005	4.6
117.07011	7.2
117.40492	2.3
117.62601	2.4
119.04983	2.6
119.08612	18.7
121.06547	6.6
121.10167	15.9
123.04414	3.0
123.08092	3.1
123.11719	10.0
125.09634	6.9
127.03909	9.7
129.05507	4.0
129.07027	14.3
131.08650	11.3
131.09436	2.2
133.10124	25.7
135.08076	5.4
135.11697	6.2
137.06082	2.9
142.07774	4.0
143.08630	2.8
145.10135	6.6
147.08110	4.9
147.11684	16.7
149.09618	3.9
149.13258	7.3
151.11195	10.9
153.74017	2.2
157.10133	11.1
159.11714	7.4
163.11241	6.5
165.12781	4.8
169.12337	2.8
173.04517	12.7
173.05959	3.1
175.11214	9.2
183.13860	6.2
187.13297	8.9
193.12242	37.7
195.13788	4.6
201.14867	2.4
211.13315	51.2
225.14882	3.5
227.12718	5.4
235.13179	2.9
267.15976	16.5
269.17581	4.9
273.14853	3.9
275.16415	2.8
283.15533	4.2
285.16962	7.6
299.18597	2.8
301.14453	4.2
339.18085	5.0
360.26450	2.6
375.17935	2.6
395.20520	3.2
427.23260	3.2
435.27332	17.8
443.27933	2.9
453.28439	20.4
461.29007	18.7
467.30127	9.1
477.29050	3.1
479.30096	5.0
511.32846	13.6
542.46515	2.6
577.33881	3.3
605.33325	5.1
623.34082	14.3
637.35394	5.9
655.37000	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	655.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	15.7
55.01871	8.6
55.05514	41.8
57.03445	18.3
59.05023	4.3
61.12729	2.9
65.03945	7.1
67.05509	78.4
69.03431	25.3
69.07076	23.3
69.20815	15.7
69.21242	14.9
71.01344	5.1
71.05003	20.2
73.02938	3.5
78.00939	3.0
79.05499	65.9
81.03423	100.0
81.07063	75.5
83.04988	38.9
83.08624	24.8
85.02917	18.7
85.06558	9.0
91.05487	70.9
93.07046	60.6
95.04967	25.0
95.08617	39.0
97.02903	23.5
97.06533	12.7
97.10172	20.5
98.20679	6.5
98.21329	13.8
99.04441	9.9
105.07037	50.8
107.04936	16.7
107.08612	31.2
109.02895	15.9
109.06529	13.8
109.10159	28.0
111.04459	12.6
111.08038	7.5
113.06008	3.1
115.05494	3.2
117.07015	27.5
119.04978	4.9
119.08585	33.5
121.06518	14.0
121.10168	20.8
123.08077	14.3
123.11665	4.1
125.09625	20.7
127.03928	12.6
128.06229	6.8
129.05525	18.2
129.07018	26.6
131.04955	4.3
131.08588	38.8
133.06512	10.1
133.10130	26.5
135.08066	11.9
135.11737	8.4
141.06989	7.5
142.07809	4.4
143.08546	19.9
145.06512	10.5
145.10123	17.9
147.08069	9.7
147.11708	15.7
149.06013	3.8
149.09653	12.7
149.13255	7.0
149.96646	3.8
151.11263	6.9
153.12691	4.1
155.08578	9.4
157.10143	17.3
159.08041	4.1
159.11714	9.7
160.05225	3.5
161.05942	4.8
161.09665	6.8
161.13219	5.4
163.11218	7.8
165.12756	3.3
167.08588	4.8
169.10146	8.5
171.11653	7.2
173.04486	19.4
173.05948	6.6
173.09714	6.4
173.13283	6.8
175.11191	8.2
177.12851	4.9
181.10117	9.4
181.12256	5.5
183.11736	8.0
185.09764	3.4
185.13298	4.2
187.14882	5.8
189.11218	12.4
189.12741	4.6
193.12250	17.1
195.11725	5.4
195.13806	4.4
197.13286	7.0
199.14806	5.9
201.07555	3.7
201.12807	5.3
209.11696	5.9
211.13184	16.0
217.15936	6.6
219.13741	4.1
221.13289	4.0
225.12856	3.8
227.12749	14.9
233.15344	3.9
243.13843	4.7
246.14819	3.3
267.15994	14.1
269.17529	4.2
271.13223	4.2
273.14944	3.3
275.20135	8.2
323.23788	5.1
333.22223	3.9
341.24738	3.7
351.23169	13.7
369.24408	19.3
387.25247	12.3
433.29669	6.9
435.27209	10.0
443.28018	36.0
461.29080	83.8
475.30911	8.4
493.31924	26.4
587.32025	4.2
605.33197	9.6
623.33429	5.2
637.34003	9.8
655.36005	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	655.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92701	1.2
53.03946	8.7
54.51248	1.3
55.01632	1.2
55.01877	15.3
55.05514	24.5
57.03193	1.6
57.03445	16.2
57.07082	6.3
59.05014	2.3
64.25436	1.3
65.03945	5.2
65.63998	1.0
67.05510	51.5
69.03432	31.2
69.03717	0.9
69.07063	11.2
69.42695	6.5
71.01356	3.3
71.04993	8.8
73.02917	7.8
77.03911	1.9
79.05498	41.5
81.03422	100.0
81.07062	40.1
82.04189	1.3
82.07373	1.1
83.01334	1.6
83.04981	21.0
83.08622	22.6
85.02911	26.8
85.06546	3.5
87.04428	1.8
91.05486	36.8
91.15041	1.1
93.07043	26.3
95.04978	28.4
95.08614	14.1
97.02898	30.8
97.06527	7.7
97.10177	9.7
98.07351	1.3
99.04467	7.4
99.08113	1.8
103.05486	1.3
105.07037	22.7
107.04958	16.9
107.08608	15.0
109.02892	15.7
109.06538	5.2
109.10162	21.2
111.04446	13.0
111.08086	9.2
113.06055	1.6
115.03922	2.8
115.05439	2.4
116.04678	1.2
117.07043	7.4
119.04948	2.1
119.08598	21.0
121.06526	5.8
121.10149	12.0
123.04466	6.1
123.08076	4.6
123.11686	2.9
125.06040	1.8
125.09636	11.1
127.03928	12.4
127.11171	2.1
128.06235	1.2
129.05493	4.6
129.06989	11.6
131.03439	1.9
131.04895	1.4
131.08578	12.0
133.06503	3.3
133.10146	12.6
135.04446	5.8
135.08063	3.1
135.11710	5.7
137.06012	1.8
137.09636	2.9
141.06998	2.6
142.07785	1.9
143.03406	1.8
143.08565	2.4
145.06476	3.2
145.10138	8.3
147.04474	1.7
147.08052	4.5
147.11697	15.9
149.06012	1.8
149.09653	6.9
153.05539	2.9
153.09074	1.3
153.12769	3.9
155.08549	1.7
155.10690	2.6
157.10159	11.0
159.11757	3.0
161.06029	1.8
161.09644	2.8
163.11243	9.3
165.12755	6.2
169.10164	2.1
171.06676	1.6
171.11655	1.4
173.04521	7.9
173.05844	1.6
173.09669	2.3
173.11755	4.0
173.13162	1.2
175.11198	12.1
176.50735	1.2
181.12248	5.3
183.06604	1.5
187.11302	1.6
189.11209	3.5
189.12727	1.9
191.10680	4.1
193.12251	29.6
199.06055	3.4
209.11714	11.9
211.13297	41.0
223.13278	1.7
227.12823	12.5
229.14349	15.0
231.13759	2.2
244.31287	1.3
261.14673	1.3
267.15955	14.9
277.14285	1.5
283.15402	6.2
285.16980	9.1
287.05630	2.1
325.16623	1.6
337.16617	1.4
353.16019	1.9
409.05801	1.4
411.20047	1.9
421.25830	9.2
427.20029	1.7
439.26984	11.8
457.25842	1.3
475.27097	5.6
492.39471	1.3
493.27850	6.2
581.29346	1.4
619.30505	1.5
621.32782	1.2
637.31940	6.4
655.33215	12.7
661.91364	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01865	1.1
55.05511	3.1
57.03442	0.7
57.07070	0.5
65.95470	0.3
67.05513	6.8
69.03064	0.4
69.03404	0.9
69.07079	2.5
70.48052	1.2
71.04996	0.7
75.04485	0.5
79.05495	4.8
81.03421	2.0
81.07060	6.3
83.04989	1.8
83.08621	1.1
91.05488	6.1
93.07053	4.5
95.04969	3.1
95.08630	3.5
97.02890	1.0
97.06544	1.1
97.10177	0.7
105.07048	3.7
105.45296	0.3
107.04974	1.7
107.08601	3.6
109.02859	0.4
109.06532	1.2
109.10179	2.0
111.08098	0.4
117.07040	1.2
119.08598	2.0
121.06523	1.4
121.10163	1.3
123.08120	0.8
123.11686	0.4
125.09640	0.8
127.04017	0.4
129.07051	0.5
131.08592	2.1
133.06531	0.5
133.10123	2.5
135.08109	0.8
135.11752	1.0
137.09666	0.6
143.08600	1.1
145.06572	0.8
145.10188	1.7
147.08069	0.9
147.11745	0.8
149.09637	1.1
149.13345	0.4
151.11214	0.7
155.08540	0.6
157.10081	0.9
159.08044	0.6
159.11723	1.0
161.09688	1.0
163.11221	0.6
169.09972	0.4
173.04565	0.3
173.13257	0.7
175.11235	0.8
180.81465	0.4
185.13321	0.4
205.12254	0.4
223.13364	0.5
245.19124	0.7
253.14310	0.4
271.11841	0.4
271.28412	0.4
273.18533	3.3
289.18152	0.4
291.19571	4.9
311.60489	0.4
347.22287	1.0
365.23483	1.2
377.17584	0.6
391.19223	1.3
392.20056	0.5
393.20636	0.8
405.16379	1.8
405.21500	0.7
406.17395	0.5
406.22015	0.9
407.17850	0.5
407.22433	4.7
418.17621	0.6
419.18036	3.0
419.23386	0.9
420.19531	1.5
421.20224	1.3
427.24271	0.4
432.19565	0.5
433.20621	5.2
433.24564	0.5
434.21353	5.1
435.21896	8.6
436.22580	0.5
447.17700	1.2
447.22174	2.0
448.18109	0.7
448.23566	0.9
449.19791	1.6
461.19827	2.3
462.20355	4.5
463.21091	4.4
464.22104	0.5
475.21304	1.9
476.22284	1.3
477.22781	1.4
478.23502	0.7
479.20981	1.1
489.22974	1.3
493.22278	1.3
495.23923	1.0
505.22113	0.8
507.24210	0.8
508.24918	1.7
509.25681	1.2
521.25714	12.0
522.25830	0.7
534.22986	0.5
535.27014	0.7
540.27924	0.5
543.36511	0.4
544.46777	0.4
549.25024	19.9
550.25787	0.7
553.24396	0.9
563.26898	2.1
577.24390	0.7
581.27606	3.6
595.29272	9.3
609.27130	10.7
610.27606	0.4
623.28326	1.1
637.41187	1.2
655.31329	100.0
655.41083	4.7
656.31659	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.8
55.01875	12.7
55.05514	29.5
57.03436	18.1
57.07080	6.9
59.04998	2.9
65.03943	4.8
67.05509	48.2
69.03432	30.5
69.07079	13.0
69.95087	5.5
71.01349	3.3
71.05003	8.3
73.02917	3.9
79.05497	41.1
80.62869	1.3
81.03423	100.0
81.07060	39.3
83.04988	25.3
83.08622	20.2
85.02911	23.0
85.06538	2.9
91.05487	44.3
93.07048	27.1
95.04972	30.5
95.08613	20.6
97.02898	33.7
97.03520	2.1
97.06528	9.7
97.10175	10.4
99.04460	8.5
99.08083	1.9
101.02409	2.2
105.04519	3.3
105.07033	25.0
107.04947	12.5
107.08614	15.6
109.02896	11.4
109.06526	7.6
109.10163	15.0
109.29046	1.4
111.04469	16.0
111.08097	11.7
113.06009	3.2
115.03964	3.4
115.05421	3.7
116.04677	1.5
117.03423	2.5
117.07016	8.1
119.08583	21.9
121.06505	4.2
121.10152	13.7
123.04451	5.3
123.08076	4.3
123.11667	2.5
125.05988	2.6
125.09632	10.0
127.03926	11.7
127.11211	2.2
128.06247	2.9
129.05531	3.3
129.07004	12.1
131.08575	16.9
133.06535	4.1
133.10155	13.3
135.04402	2.0
135.08046	3.1
135.11696	9.5
137.05992	3.4
137.09608	4.0
141.06937	2.0
142.07854	2.5
143.03436	2.1
143.08621	2.8
145.02846	5.4
145.10144	7.1
147.08075	3.4
147.11705	16.0
149.09657	7.3
153.05473	2.9
153.12755	5.5
155.08556	2.5
157.08830	1.7
157.10153	9.8
158.05885	1.4
161.09686	1.9
163.11160	11.3
165.09149	1.6
165.12767	4.3
165.80219	1.3
171.06578	2.2
173.04454	3.7
173.05826	1.6
173.09613	3.0
173.11739	1.8
175.11188	15.1
177.05446	8.9
181.12283	5.4
183.06584	1.8
184.07338	3.3
189.11195	2.3
191.10721	6.2
193.12248	34.2
199.06036	3.1
201.14850	1.6
209.11702	12.8
211.13287	40.9
223.13361	1.8
225.07516	1.6
227.12793	15.3
229.14380	6.0
231.13683	1.6
236.16205	1.6
237.83089	1.5
245.14049	1.7
253.32861	1.7
265.14407	2.1
267.15955	14.0
283.15308	10.0
285.17145	4.9
287.05420	4.6
289.14227	2.2
301.16742	2.8
337.16315	2.7
355.17807	3.3
383.21954	2.6
391.17654	1.6
397.24820	1.5
409.18835	2.9
411.20004	2.2
421.25876	2.8
427.19626	2.6
439.27054	4.7
475.27039	9.0
493.28067	8.0
583.30457	2.3
637.31799	5.0
655.33197	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	655.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01878	2.3
55.05511	5.3
57.03433	1.4
65.03937	1.2
67.05507	11.9
69.03423	3.0
69.07069	3.5
69.80583	2.2
69.81000	2.7
71.04999	1.2
71.35828	0.8
73.05042	0.9
75.91005	0.9
79.05501	11.4
81.03419	6.3
81.07059	11.9
83.04988	2.9
83.08627	3.4
91.05486	7.5
92.03972	0.9
93.07050	8.4
95.04958	4.4
95.08607	6.8
97.02903	1.2
97.06542	2.6
97.10187	1.3
105.07038	7.6
107.04955	2.8
107.08577	5.7
109.06516	3.2
109.10178	2.9
115.05464	1.6
117.07019	2.0
119.08587	4.3
120.04449	1.4
121.06512	1.1
121.09303	0.8
121.10124	3.5
123.08073	2.0
125.09647	1.4
129.07016	1.9
131.08583	4.0
133.06531	1.2
133.10138	2.7
135.08054	3.1
135.11681	1.3
143.08546	1.9
145.10141	4.8
147.08087	1.3
147.11714	2.6
149.09613	1.4
155.08557	1.6
157.10143	1.3
157.87251	0.9
159.08049	1.3
159.09258	1.0
159.11734	2.0
161.05942	0.9
161.09630	1.2
163.11203	2.2
169.10159	1.1
171.11700	1.3
175.11197	1.3
183.11885	0.9
185.13206	1.1
187.11131	1.0
188.03297	1.0
193.12328	1.4
207.09296	0.9
209.10838	1.6
221.10728	1.1
223.12323	1.1
227.11835	2.0
233.10818	1.2
273.18549	3.4
275.20074	1.6
286.13297	1.0
288.15063	1.2
289.18063	1.4
291.16449	0.8
291.19528	6.3
300.14969	1.2
301.15903	1.0
302.16541	2.7
312.14771	1.6
316.18213	1.4
328.14435	1.8
375.16544	1.1
377.17709	2.2
378.18802	1.1
379.19177	1.1
383.12506	2.0
389.17920	1.1
391.19424	1.5
398.14755	1.7
401.17511	1.1
403.18994	1.3
415.19122	1.2
416.19983	1.6
417.21182	2.0
418.21500	1.1
428.20056	1.4
430.21359	1.1
431.22830	1.1
433.16187	2.6
443.18430	1.4
444.19345	1.2
445.20258	1.6
447.17780	1.8
448.18637	1.3
449.19763	3.0
458.17068	2.6
463.20825	1.3
472.18610	1.2
475.17120	1.4
477.18628	4.3
481.26010	1.2
486.19998	1.1
489.19019	3.4
490.19632	1.9
491.20682	3.0
499.21555	1.1
503.21014	1.3
505.22653	1.1
509.25351	1.8
517.22211	1.9
519.20734	1.1
521.25586	1.3
531.24646	1.2
535.23212	4.8
537.24957	4.0
543.37085	1.9
547.18854	1.5
549.24756	3.7
559.23535	11.6
561.25317	4.5
563.22894	9.4
564.23425	2.9
577.24390	17.2
579.26416	1.4
595.25555	1.3
605.24036	36.5
606.23859	1.8
608.22906	1.4
619.25574	4.9
623.24701	2.2
637.26599	100.0
638.26941	4.4
655.27393	7.5
655.41479	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	655.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17886	0.9
53.03935	1.8
55.01863	2.0
55.05518	8.1
55.54325	1.1
57.03447	1.5
57.07084	6.9
65.03932	1.2
67.05508	6.3
69.07049	2.5
71.04981	2.3
71.36191	1.1
71.51848	1.7
79.05479	4.8
81.03407	2.2
81.07058	5.1
83.04988	30.3
83.08611	1.2
91.05472	5.5
93.07028	4.1
95.04975	2.7
95.08591	2.8
98.98444	3.2
105.07005	4.3
107.04947	1.3
107.08627	1.8
108.93039	1.0
115.05452	1.2
117.06976	2.2
119.08572	2.8
121.10168	1.1
123.11706	1.3
128.06229	2.1
129.06961	4.9
131.08601	2.4
133.10117	2.3
135.11752	1.1
145.06483	1.3
147.08078	3.5
147.11673	4.9
149.09598	1.2
155.06018	1.2
157.07607	1.2
159.08018	1.2
169.10130	1.3
170.09631	1.0
174.62169	1.0
175.01569	13.8
181.02618	21.5
204.09969	1.0
205.84961	1.1
209.10902	1.4
223.12277	2.5
227.04672	8.2
235.12341	1.3
237.13834	2.2
238.14647	1.8
249.13728	1.5
251.03906	1.1
253.14305	1.3
257.05768	2.2
257.50626	1.0
273.18518	2.0
275.20251	1.1
283.10880	2.7
286.13290	1.1
286.61041	1.1
291.19485	2.5
313.12027	11.9
364.16855	1.4
369.18109	5.8
376.17053	1.5
377.17618	1.6
378.18198	1.4
389.17767	1.4
390.18784	1.3
401.17953	1.1
403.19196	3.5
404.20087	1.6
405.16745	1.7
405.21280	1.4
406.17813	1.1
407.18423	1.4
416.20206	1.4
417.20511	3.7
418.21457	2.3
421.20541	1.7
422.20718	1.7
431.18341	1.6
432.23315	1.2
433.16089	1.7
433.24149	3.1
434.16678	1.4
434.49225	1.2
435.21927	2.0
437.23428	1.2
445.20093	2.5
447.18018	2.0
448.18631	2.5
449.19461	3.6
461.19269	2.2
462.20676	2.1
463.21274	12.9
464.22324	1.2
473.36127	1.4
475.17038	2.2
476.22028	1.9
477.18390	8.4
479.24414	2.8
480.21799	2.0
486.20438	1.5
487.21332	1.7
489.18915	1.7
491.20566	3.8
491.24927	1.7
492.25168	2.3
495.24173	1.2
501.23035	8.7
502.23447	1.8
503.20667	1.4
504.21484	1.9
506.26779	2.1
521.17914	1.9
523.26465	2.5
533.25592	7.5
535.23413	6.8
536.24158	1.5
543.19159	10.7
547.23462	2.3
550.26306	2.8
551.26532	6.4
553.24146	1.4
561.24689	2.8
563.22638	1.4
565.28168	46.1
566.27911	2.4
567.25476	1.4
577.24414	1.8
578.25513	1.8
579.26031	9.9
583.29285	5.0
585.26807	1.5
593.27380	7.8
594.24390	3.8
595.25085	4.5
599.25336	24.0
609.26923	19.6
611.28485	3.3
612.25598	1.9
613.26343	6.5
623.24945	7.9
637.26508	5.5
655.27490	100.0
656.27777	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	655.2765
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
53.03935	1.1
55.01878	2.3
55.05511	5.3
57.03433	1.4
65.03937	1.2
67.05507	11.9
69.03423	3.0
69.07069	3.5
69.80583	2.2
69.81000	2.7
71.04999	1.2
71.35828	0.8
73.05042	0.9
75.91005	0.9
79.05501	11.4
81.03419	6.3
81.07059	11.9
83.04988	2.9
83.08627	3.4
91.05486	7.5
92.03972	0.9
93.07050	8.4
95.04958	4.4
95.08607	6.8
97.02903	1.2
97.06542	2.6
97.10187	1.3
105.07038	7.6
107.04955	2.8
107.08577	5.7
109.06516	3.2
109.10178	2.9
115.05464	1.6
117.07019	2.0
119.08587	4.3
120.04449	1.4
121.06512	1.1
121.09303	0.8
121.10124	3.5
123.08073	2.0
125.09647	1.4
129.07016	1.9
131.08583	4.0
133.06531	1.2
133.10138	2.7
135.08054	3.1
135.11681	1.3
143.08546	1.9
145.10141	4.8
147.08087	1.3
147.11714	2.6
149.09613	1.4
155.08557	1.6
157.10143	1.3
157.87251	0.9
159.08049	1.3
159.09258	1.0
159.11734	2.0
161.05942	0.9
161.09630	1.2
163.11203	2.2
169.10159	1.1
171.11700	1.3
175.11197	1.3
183.11885	0.9
185.13206	1.1
187.11131	1.0
188.03297	1.0
193.12328	1.4
207.09296	0.9
209.10838	1.6
221.10728	1.1
223.12323	1.1
227.11835	2.0
233.10818	1.2
273.18549	3.4
275.20074	1.6
286.13297	1.0
288.15063	1.2
289.18063	1.4
291.16449	0.8
291.19528	6.3
300.14969	1.2
301.15903	1.0
302.16541	2.7
312.14771	1.6
316.18213	1.4
328.14435	1.8
375.16544	1.1
377.17709	2.2
378.18802	1.1
379.19177	1.1
383.12506	2.0
389.17920	1.1
391.19424	1.5
398.14755	1.7
401.17511	1.1
403.18994	1.3
415.19122	1.2
416.19983	1.6
417.21182	2.0
418.21500	1.1
428.20056	1.4
430.21359	1.1
431.22830	1.1
433.16187	2.6
443.18430	1.4
444.19345	1.2
445.20258	1.6
447.17780	1.8
448.18637	1.3
449.19763	3.0
458.17068	2.6
463.20825	1.3
472.18610	1.2
475.17120	1.4
477.18628	4.3
481.26010	1.2
486.19998	1.1
489.19019	3.4
490.19632	1.9
491.20682	3.0
499.21555	1.1
503.21014	1.3
505.22653	1.1
509.25351	1.8
517.22211	1.9
519.20734	1.1
521.25586	1.3
531.24646	1.2
535.23212	4.8
537.24957	4.0
543.37085	1.9
547.18854	1.5
549.24756	3.7
559.23535	11.6
561.25317	4.5
563.22894	9.4
564.23425	2.9
577.24390	17.2
579.26416	1.4
595.25555	1.3
605.24036	36.5
606.23859	1.8
608.22906	1.4
619.25574	4.9
623.24701	2.2
637.26599	100.0
638.26941	4.4
655.27393	7.5
655.41479	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	653.3532
Annotation	Withanoside III
Peak:m/z	Relative Intensity
50.98352	3.1
53.03954	16.8
54.87921	3.2
55.01867	9.5
55.05310	3.0
55.05514	32.1
55.25843	3.1
57.03426	12.2
58.78878	2.9
67.05502	67.4
68.37901	3.1
69.03445	16.3
69.07057	14.5
71.04978	9.7
79.05495	73.4
81.03424	100.0
81.06662	4.3
81.07065	54.2
83.04983	29.0
83.08626	24.7
85.02908	18.2
85.06512	5.7
88.59815	2.8
91.05480	66.5
93.06480	4.6
93.07047	58.5
95.04977	38.4
95.08607	24.0
97.02886	14.0
97.06514	8.3
97.10146	5.0
98.20760	6.2
99.04474	4.2
105.04526	4.6
105.06391	4.8
105.07037	44.9
107.04935	13.9
107.08579	14.9
109.02852	11.9
109.06513	8.9
109.10155	10.3
110.99791	3.3
111.04414	16.0
111.08093	11.8
117.07027	10.8
119.08591	31.3
120.37557	3.7
121.06501	5.3
121.10139	11.0
123.08058	9.0
127.03915	10.2
128.06265	5.1
129.05492	4.4
129.06982	26.2
131.08556	17.8
133.06409	5.1
133.10132	13.7
143.08543	9.3
145.10104	16.7
147.08081	7.8
147.11678	35.6
149.09668	6.9
157.10106	11.3
159.08028	3.9
161.09630	5.1
161.13237	7.0
163.11224	8.1
165.12766	5.6
171.11697	19.5
173.04630	3.4
175.11183	11.4
181.12236	4.0
189.12785	7.9
193.12219	29.9
207.13754	29.6
211.13304	36.0
225.14865	3.9
227.12746	6.9
229.14281	5.5
263.39313	3.2
267.15866	34.1
281.17459	52.5
285.16980	12.0
355.17563	3.6
398.25815	3.9
429.21198	17.2
456.30438	4.7
473.29001	77.3
491.30176	20.8
606.14600	3.4
635.34265	34.2
653.34619	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	653.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.9
53.03949	12.3
55.01874	16.7
55.05270	2.6
55.05513	36.4
57.03442	14.7
57.07070	4.5
59.04996	2.8
59.21918	1.9
65.03944	3.9
67.05505	69.4
69.03432	29.3
69.07069	13.6
70.82015	3.9
71.01350	4.1
71.04994	11.5
73.02914	2.6
76.48725	1.6
79.05495	63.8
81.03423	100.0
81.07062	54.8
82.04207	2.1
83.01344	3.0
83.04991	30.7
83.08619	16.4
85.02908	19.5
85.06557	3.3
89.11609	1.7
91.05486	51.3
93.07049	52.0
93.07640	2.7
95.01308	2.7
95.04973	30.6
95.08617	23.2
97.02898	30.4
97.06534	11.2
97.10170	12.1
99.04442	8.9
103.05458	4.1
105.04565	2.2
105.07037	27.8
107.04964	21.7
107.08602	26.9
109.02876	19.9
109.06519	8.7
109.10159	18.0
111.04458	13.3
111.08089	8.5
117.07005	14.3
119.08592	23.5
121.06504	7.5
121.10156	11.9
123.04423	6.7
123.08067	8.6
125.05938	3.5
125.09630	8.7
127.03940	10.7
128.06244	3.1
129.05495	2.0
129.07014	12.3
131.04973	2.3
131.08563	12.7
133.06496	6.2
133.10117	11.3
134.25775	1.8
135.04390	4.5
135.08078	7.8
135.11679	17.0
137.05983	3.7
137.09639	2.2
141.07056	2.1
143.08563	3.3
145.06517	3.6
145.10136	14.1
147.04425	2.2
147.08070	4.9
147.11710	16.8
149.09608	5.9
149.13298	2.1
151.11153	2.4
153.12782	7.7
155.08543	2.7
157.10120	7.0
159.11687	2.3
161.09581	2.8
161.13258	2.4
163.03911	1.8
163.11176	24.6
165.12776	2.0
171.11720	4.3
173.04460	8.0
173.09567	4.4
173.11765	2.6
175.11177	5.1
177.12814	2.5
181.12238	8.8
181.14899	1.8
183.06526	1.9
183.13832	2.4
185.09604	2.7
185.13437	2.1
189.11206	3.7
191.10699	7.2
191.14348	2.1
193.12247	16.4
199.06067	4.4
207.12105	2.0
207.13837	8.2
209.11707	13.2
211.13281	14.7
223.13268	3.4
227.12775	16.4
229.14413	4.2
264.64883	2.0
267.13474	2.0
267.15851	10.8
281.17487	12.0
283.15512	11.9
285.16965	2.4
289.14484	2.1
353.15872	2.6
390.58224	2.0
427.19516	3.2
429.21198	3.7
437.25482	2.1
465.28922	2.0
473.29114	18.9
491.30438	3.7
509.27618	2.3
563.58276	2.1
635.34033	10.1
653.31915	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	653.2972
Annotation	Haplophytine
Peak:m/z	Relative Intensity
55.05509	0.9
55.65394	0.4
57.77977	0.5
67.05513	0.9
69.07082	0.7
70.96324	0.8
71.08613	0.4
72.97485	0.4
79.05503	0.7
81.07067	1.3
86.16542	0.5
91.05482	0.6
95.08630	0.6
109.10146	0.7
127.66425	0.4
134.05983	0.5
185.95415	0.4
209.10748	0.6
256.71704	0.5
365.18997	0.5
376.16873	0.8
377.17792	0.8
389.18619	0.8
390.18497	1.5
391.19138	5.6
392.19974	2.5
393.20755	0.5
403.19553	0.9
404.20166	1.4
405.15808	0.8
405.20828	10.4
406.21497	8.3
407.22424	1.0
417.21350	0.6
418.22083	0.8
419.22659	2.8
420.23096	7.2
421.17554	0.7
421.23911	11.8
429.20828	0.5
431.18335	0.7
433.19507	4.3
434.24905	1.3
435.18292	1.7
436.19116	2.4
445.20352	1.6
447.21802	0.9
449.19797	1.9
449.26657	0.8
450.20493	2.6
451.21341	2.1
452.22327	2.5
459.22601	0.7
460.22409	2.7
461.23108	0.6
463.21680	1.5
464.22186	0.7
465.22897	43.4
466.23444	0.8
473.19617	3.0
474.20468	0.7
475.25067	1.8
478.23669	1.7
479.24573	8.4
480.25198	4.1
487.21393	2.8
488.21918	4.3
491.21054	2.2
492.21225	2.3
501.22800	1.5
503.24463	49.8
504.24756	2.4
505.22253	1.4
507.27530	4.7
533.25812	1.3
535.27112	38.4
536.27386	1.5
551.26593	5.4
561.25049	2.6
562.26117	0.8
566.28790	0.6
579.26062	41.2
580.26251	1.8
593.27881	2.0
594.18890	1.0
594.28406	18.0
595.28363	0.8
621.27039	20.6
622.27698	1.0
653.29724	100.0
654.29767	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08157	1.1
55.05508	3.6
57.07076	2.0
67.05509	9.4
69.07069	2.9
69.41454	1.1
71.51517	1.9
74.58321	1.0
79.05499	6.6
81.03436	1.4
81.07064	6.2
82.71653	1.2
83.04993	2.2
83.08636	1.3
91.05487	6.2
93.07050	8.6
95.04987	2.0
95.08625	3.4
97.06557	1.0
97.10193	1.4
105.07034	3.6
107.08579	2.6
109.10156	1.8
117.07033	1.7
119.08585	3.3
129.07042	2.2
133.10161	2.7
135.11768	1.6
145.10098	1.5
147.11739	1.8
161.13301	1.7
167.99985	0.9
171.11719	1.9
199.12425	1.0
207.13783	2.1
211.12410	1.2
237.13763	1.3
250.30998	1.0
281.17322	1.0
310.13721	1.3
376.17157	1.2
389.17578	2.3
390.19077	1.9
391.19272	2.6
402.18616	1.1
403.19608	3.5
404.20044	6.7
405.20810	18.2
405.25674	1.8
406.21277	1.3
417.20963	3.9
418.21762	3.1
419.22537	14.4
420.23282	4.4
431.17645	1.5
431.22833	2.3
433.24182	10.2
434.24826	3.7
435.18362	1.5
444.19211	1.7
445.20105	1.4
447.21002	5.5
448.19489	1.3
448.26019	1.2
449.19717	7.7
450.20172	2.6
462.20294	2.0
463.21353	10.6
464.22208	4.5
465.22876	4.2
473.19922	1.2
475.21048	1.4
477.23224	5.2
478.23682	3.5
479.24478	44.4
487.21448	5.7
488.21924	2.0
491.20184	1.8
491.24670	3.3
492.25397	2.2
493.26151	2.5
501.23080	6.5
502.23819	2.9
507.27579	22.3
519.24060	4.8
533.25610	6.6
536.25281	1.3
537.25049	13.9
541.39111	13.0
551.26605	38.6
551.35095	2.1
561.25189	7.8
562.26514	1.6
565.28198	23.0
566.28955	89.4
567.29211	3.4
575.26599	2.8
593.27606	16.0
603.25635	2.6
621.27039	18.5
635.28571	6.3
636.28149	1.7
653.29718	100.0
654.29993	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	653.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98074	0.6
67.05445	1.7
69.92097	2.6
79.05449	0.9
81.07015	0.8
90.37953	0.5
95.08572	0.5
98.20773	0.6
119.56091	0.6
120.08050	1.7
131.07362	0.6
132.08060	0.6
151.07672	0.6
172.03889	0.9
196.09975	1.1
204.06465	0.9
207.09158	1.5
208.09866	1.1
209.10661	2.6
210.11467	1.8
211.12216	1.5
220.09906	0.9
221.10721	1.9
222.11482	1.0
223.12274	2.7
224.12917	0.7
225.13835	4.3
226.14581	1.7
235.08685	0.9
235.12256	1.5
237.10168	1.2
237.13817	2.4
238.14578	0.9
239.15361	1.1
247.08411	0.6
247.12308	0.6
249.10173	2.0
249.13834	2.0
250.10991	0.9
251.08078	0.6
263.08035	0.7
265.09653	0.6
265.13361	1.3
269.12939	0.7
270.13516	0.6
272.09186	0.6
275.15363	1.0
277.09781	1.6
293.09256	0.8
301.12357	0.6
314.12900	0.8
324.15079	0.8
328.14517	0.7
336.11133	0.8
337.11972	2.1
338.12769	1.6
339.13986	0.7
340.14273	1.0
351.13641	0.7
352.14481	1.0
354.16068	1.1
355.13623	0.7
356.17722	0.8
366.16003	1.5
369.14520	0.6
382.11920	0.9
383.16446	0.6
387.16168	1.0
388.16940	0.7
389.18018	0.9
394.15445	1.0
396.13474	1.7
398.15179	0.7
399.16727	0.6
400.17337	0.9
401.17871	1.1
402.18695	1.3
403.15256	0.9
411.15659	0.7
415.15244	1.3
415.20038	1.1
416.15866	1.1
417.16992	2.3
417.21561	1.2
418.17969	0.9
426.18213	1.0
428.16525	1.0
429.17105	2.8
430.17902	1.9
431.18069	4.0
431.23767	0.8
432.19461	0.9
443.18747	2.5
444.19510	2.0
445.20151	4.9
446.21066	2.5
447.22015	3.5
454.17780	2.2
457.16101	1.2
459.22498	6.0
460.22784	0.8
461.23883	1.2
471.18231	1.9
472.18814	0.8
473.23700	1.8
474.19986	1.4
475.21442	3.0
476.22443	0.7
487.21445	10.2
488.22116	1.3
501.23444	4.8
502.23129	0.8
503.21298	1.8
507.38962	0.7
515.20862	2.6
517.22363	0.9
518.23035	1.3
519.24127	4.2
521.25641	0.7
529.22266	4.2
531.20331	1.2
533.25568	4.8
534.22937	1.4
546.22534	1.5
547.23547	2.8
550.70343	0.6
561.25018	100.0
562.25256	5.9
589.24518	8.0
621.27124	92.0
622.27307	5.0
653.33319	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	653.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05463	0.8
55.49262	0.4
67.05441	1.6
69.35278	1.0
69.35677	3.8
79.05453	1.0
79.05878	0.5
81.06992	0.9
83.04973	0.4
91.05402	0.6
96.24633	0.4
105.07009	0.5
109.10074	0.6
117.06979	0.6
118.06528	0.7
119.08495	0.6
120.08067	1.1
131.08533	0.6
138.05386	0.5
144.08032	0.6
146.05957	0.6
154.35480	0.4
172.03828	0.5
183.09027	0.5
184.07265	0.7
194.08127	0.6
195.09166	0.9
196.09802	0.6
197.10730	0.8
204.06503	0.7
206.08302	0.6
207.09099	0.5
208.09863	1.1
209.10658	1.8
210.11446	1.7
211.12282	1.0
212.12971	0.6
221.10626	1.5
222.11430	0.8
223.08656	1.2
223.12271	2.7
224.13075	1.1
225.10210	0.6
225.13821	4.7
226.14615	0.9
233.10587	0.8
234.11664	0.6
235.08641	1.0
235.12218	1.2
237.10124	1.2
237.13910	3.1
238.14542	0.6
239.15428	1.3
247.08507	0.7
247.12567	0.5
248.09328	0.5
249.10184	2.4
249.13925	1.2
250.11015	0.6
251.08032	0.8
251.11742	1.5
259.12097	0.5
261.13632	0.7
265.09692	0.5
275.08124	0.5
275.15399	0.9
277.09598	1.7
281.12784	0.6
293.09125	0.9
293.12714	0.7
298.13284	0.6
305.09146	0.5
310.13620	0.7
311.13931	0.7
314.12970	0.6
325.12057	1.0
326.12881	1.0
326.16379	0.6
332.97220	0.5
337.11868	1.2
338.13019	0.8
338.16666	1.0
340.10852	0.7
340.14670	0.6
350.12677	0.7
351.13501	0.8
352.14343	0.8
354.15973	0.7
364.14709	0.7
366.12067	0.8
366.16031	1.7
368.13879	0.7
379.17178	0.5
380.14035	0.7
386.15353	1.0
387.15857	1.1
389.18018	1.0
394.15533	1.1
396.13425	1.4
398.14856	0.7
401.17691	1.5
402.18533	1.7
403.19302	1.3
410.15259	0.8
412.16785	0.8
414.14871	1.1
415.15219	1.1
415.19949	1.2
416.15817	0.9
416.20709	1.0
417.16434	1.2
417.20856	1.8
424.12729	0.6
426.18576	0.8
428.16382	0.8
429.17163	3.6
430.17734	2.6
431.18143	3.5
432.19220	0.6
433.20563	0.7
443.19177	2.6
444.19638	1.5
445.20206	3.8
446.21219	3.5
447.21902	3.6
454.17618	1.5
456.15286	0.7
457.15649	0.6
457.21152	0.7
459.22400	5.1
461.23846	0.9
471.18289	1.0
472.18732	1.6
473.19092	0.7
473.24344	1.1
474.20184	0.8
475.21231	2.7
486.21051	0.8
487.21442	10.1
488.21945	1.6
491.20883	0.9
501.23041	3.8
503.20316	1.2
505.25592	0.6
515.20844	2.4
517.21796	0.7
518.22876	0.9
519.23895	3.4
529.22839	2.7
531.20050	1.4
533.25812	4.3
534.22894	2.1
535.23456	0.8
546.22620	1.1
547.23383	3.0
561.25018	100.0
562.25342	4.7
589.24542	9.2
593.27063	1.0
621.27112	83.2
622.27332	4.3
635.25183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.01859	0.3
56.27939	0.3
57.03430	1.1
62.54449	0.4
63.24324	0.3
69.03085	0.6
69.03440	6.7
69.29410	3.4
71.04997	0.7
73.02914	1.6
73.03272	0.3
81.03433	2.1
85.02914	5.2
91.05501	0.5
97.02895	0.9
98.21529	0.7
99.04453	0.7
103.05450	0.6
109.02903	1.0
127.03936	7.5
131.04962	0.5
147.04408	0.5
153.01852	1.9
157.02849	0.5
173.02446	0.5
175.03929	1.5
185.02332	0.8
187.03935	3.9
201.01715	0.5
203.03416	2.4
213.01877	2.4
214.53142	0.4
215.03432	3.1
219.02884	0.5
229.01350	0.7
231.02911	15.1
241.01382	2.2
247.02440	1.0
257.00830	0.5
259.02426	28.3
260.02975	0.6
275.01880	1.2
276.02618	1.0
277.03470	100.0
278.03873	1.4
303.01373	16.0
321.02441	3.2
363.03455	3.0
385.05530	1.1
429.04407	0.6
465.06680	9.3
507.29846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	0.8
67.05501	1.4
67.72205	0.7
81.07069	1.4
183.07571	0.9
256.21527	1.0
429.21344	1.0
433.14526	0.9
443.18906	1.6
445.19952	1.5
447.17273	1.0
449.18414	2.0
458.21121	2.2
459.21881	14.0
460.22757	3.1
461.13919	2.0
461.23642	1.7
463.20306	1.7
471.22592	1.0
473.23065	1.0
475.16165	1.7
476.16840	2.3
477.17615	3.5
491.18918	8.8
492.19794	2.1
505.20288	2.1
507.22226	3.3
519.23230	1.6
531.24170	1.2
533.24347	1.1
541.38422	4.8
545.25684	2.1
547.27002	6.1
551.21008	10.9
563.21307	2.8
565.22858	1.2
578.23291	1.8
593.25867	12.3
594.27014	1.0
606.28430	5.5
623.23242	1.7
653.27985	100.0
653.47266	4.7
654.27899	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	651.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49750	2.5
53.03941	9.1
55.01859	6.8
55.05511	33.7
55.59983	2.5
57.03428	10.0
57.07062	7.5
59.05005	2.7
61.07587	2.4
65.03915	4.3
65.88469	2.0
67.05506	100.0
69.03430	30.7
69.07073	20.0
69.29411	4.6
69.29816	18.1
71.04986	9.1
71.08627	4.6
73.72050	2.2
79.05502	39.4
81.03427	41.1
81.06590	3.8
81.07059	63.8
83.04981	15.1
83.08619	16.5
85.02888	7.9
85.06496	2.5
86.09719	11.7
91.05481	33.1
93.07050	36.0
95.04955	7.6
95.08614	43.8
97.02896	13.0
97.06513	6.7
97.10182	11.7
99.04440	8.9
105.07039	21.3
107.04926	6.1
107.08604	19.7
109.02874	8.1
109.06535	3.0
109.10158	64.8
111.04443	9.8
111.08137	4.4
117.07014	11.3
119.08582	21.0
121.06461	3.3
121.10158	12.5
123.08073	4.1
123.11677	7.4
124.99972	11.6
125.09612	12.9
127.03911	8.5
128.06245	3.3
129.05469	9.8
129.07008	11.1
131.08546	19.0
132.09032	2.7
133.06482	2.5
133.10149	15.1
135.08066	7.1
135.11674	10.5
137.09616	5.9
139.11180	3.4
141.07021	4.7
143.08557	8.8
145.10141	14.6
147.11671	11.1
149.13196	3.9
155.08453	4.1
155.10638	6.0
157.10094	7.1
159.11708	15.2
161.09631	2.7
161.13257	4.6
171.11655	7.1
173.11736	17.3
173.13199	5.4
175.11211	3.3
181.10107	2.7
183.11667	2.8
184.07347	36.0
185.07639	7.3
185.13182	4.9
189.11250	7.4
199.14732	3.8
200.40128	2.7
213.12770	3.9
217.15817	3.1
221.13100	2.7
227.12793	11.4
229.14355	36.7
245.13826	6.7
261.22256	5.0
263.23804	2.7
277.21747	4.2
285.22162	2.7
289.21396	3.8
301.21582	4.4
303.23160	3.2
335.25714	3.4
337.27246	4.2
351.23135	4.0
369.24051	10.2
371.16876	4.5
373.18698	4.3
387.25052	5.2
405.26251	5.5
461.28510	4.4
487.33533	3.4
489.35715	5.4
513.28076	2.9
597.37860	5.2
615.38904	7.9
633.39624	18.1
651.43091	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	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	9.8
55.01855	4.9
55.05518	33.2
57.03432	11.4
57.07068	6.8
62.08185	1.8
65.03929	3.7
67.05509	100.0
68.05827	2.3
69.03439	27.9
69.07067	17.7
71.04979	6.5
71.08641	4.0
71.51479	3.1
79.05496	34.0
81.03423	58.7
81.06592	3.4
81.07062	65.3
83.04977	19.9
83.08630	17.1
85.02890	7.1
85.06523	7.9
86.09694	3.7
87.04449	2.0
87.99770	1.8
91.05483	33.3
93.07054	37.3
95.04970	10.8
95.08614	52.9
97.02895	20.1
97.06508	4.2
97.10180	15.1
99.04446	7.2
99.08094	2.0
105.07032	23.4
107.01774	1.7
107.04929	5.2
107.08601	25.9
109.02915	8.9
109.06498	5.1
109.10162	58.2
111.04433	9.1
111.08067	4.8
115.05477	2.1
117.07027	16.2
119.08587	22.6
121.06480	3.9
121.10133	15.2
123.08109	2.1
123.11699	6.5
125.00024	1.7
125.09624	13.7
127.03899	9.5
128.06239	2.4
129.05476	11.2
129.06998	4.6
130.07805	1.8
131.04836	2.2
131.08571	19.4
133.06487	3.4
133.10144	13.2
135.08052	5.6
135.11707	11.5
137.09633	4.6
137.13225	2.4
139.11163	2.0
141.06960	2.4
142.07779	1.9
143.08546	7.5
145.06482	2.9
145.10106	11.3
147.11703	10.2
149.05992	3.5
149.09569	4.3
149.13272	5.3
155.08536	5.4
155.10655	5.0
157.10121	7.9
159.11714	12.1
161.09618	1.9
161.13258	4.7
163.11276	2.8
165.06961	3.3
167.08656	3.2
169.10132	5.5
171.08046	2.8
171.10298	3.9
171.11684	6.8
173.09639	1.9
173.11729	12.3
173.13275	6.9
175.11171	3.9
175.14743	2.3
179.08542	1.9
181.10268	1.8
182.10980	1.9
183.11691	3.4
184.07330	12.1
185.09445	1.7
185.13216	4.8
187.14833	3.7
189.11226	13.4
189.12646	2.8
189.16472	1.9
193.12163	1.9
195.11839	2.3
197.13280	2.5
199.14880	3.4
209.13353	2.0
216.74765	1.8
227.12717	15.2
229.14351	24.0
259.20688	2.7
261.22137	7.9
273.14694	2.3
275.23743	1.7
277.21780	2.8
301.21503	4.8
313.21310	1.9
314.27753	2.0
317.24731	1.7
319.22714	2.9
335.25955	9.5
337.27368	11.0
341.24802	4.3
345.23996	1.8
351.23068	6.7
358.86450	2.0
369.24304	11.3
371.16876	5.4
373.18335	3.5
387.25223	7.3
405.26587	4.3
443.28067	2.5
461.29041	3.2
479.29938	3.2
489.35678	6.6
507.36609	5.0
531.36554	2.0
597.37506	4.9
598.88489	1.9
615.38977	8.9
633.39954	19.3
645.94312	2.1
651.41821	14.2
666.06903	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	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
55.01865	5.0
55.05270	2.5
55.05514	33.2
57.03442	11.5
57.07084	4.1
59.04997	3.1
65.03931	6.2
67.05511	100.0
69.03432	25.0
69.07074	17.2
70.68398	4.4
70.68743	2.0
71.04986	7.6
74.37161	1.8
79.05022	1.7
79.05497	39.4
81.03426	59.1
81.07062	55.7
83.04996	25.8
83.08612	14.4
85.02888	5.9
85.06546	3.7
91.05489	26.4
91.78147	1.7
93.07052	35.6
95.04971	6.8
95.08615	42.3
97.02899	18.1
97.06526	5.1
97.10183	19.8
99.04465	6.4
99.08073	3.0
105.07040	26.4
107.04969	3.0
107.08607	21.4
109.02887	9.0
109.06508	6.6
109.10169	55.7
111.04424	13.0
111.08098	5.9
115.05452	2.5
117.07030	13.1
119.08590	18.9
121.06514	3.6
121.10152	14.5
123.04443	2.6
123.08043	2.7
123.11694	4.7
125.09618	15.7
127.03899	10.1
129.05495	8.3
129.06976	6.3
131.08601	14.4
133.10149	12.6
135.08075	5.4
135.11714	8.6
137.09627	4.0
139.11168	2.3
141.07002	3.5
143.08548	8.5
145.06494	3.9
145.10143	13.8
147.08015	3.9
147.11705	7.7
149.09601	4.2
149.13249	9.4
155.08557	4.4
155.10669	3.9
157.10112	7.3
159.08049	2.9
159.11635	9.7
161.09694	2.4
161.13208	4.9
169.10188	2.9
171.07991	2.5
171.11703	4.8
173.11737	14.1
173.13268	7.1
175.14864	3.0
177.12674	2.1
181.10175	3.1
183.11703	2.3
185.09761	2.5
185.13245	3.3
187.14821	4.2
189.11267	13.4
189.12802	2.6
193.10159	1.9
193.12215	2.1
197.13321	2.9
199.14839	3.0
201.12708	2.5
209.13380	3.4
225.12852	1.9
227.12770	19.0
229.14328	22.8
245.13870	5.8
246.78203	2.3
247.16975	1.7
261.22095	7.4
263.23755	2.0
277.21677	3.4
289.21542	2.2
299.15009	2.3
301.21564	3.7
303.23145	2.5
315.23181	3.0
317.24905	2.9
333.24506	2.1
335.25720	6.5
337.27359	11.7
351.23126	4.5
357.24295	1.9
369.24249	8.1
371.17023	6.9
373.18542	6.5
378.69485	2.0
387.25079	3.8
405.26379	3.2
432.23148	1.8
443.27850	2.1
461.29001	4.3
479.29999	2.7
487.33734	3.0
489.35858	4.3
507.36636	3.6
585.38306	2.0
597.37689	5.2
615.38629	5.7
633.39880	14.8
651.40948	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	651.4085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.05507	2.0
57.03439	0.9
59.04998	0.5
67.05507	5.5
67.41303	0.5
69.03445	0.7
69.07067	1.7
71.04991	1.5
71.51585	0.8
79.05499	4.4
81.03420	2.3
81.07067	4.8
83.04996	1.5
83.08614	1.2
91.05493	4.0
93.07050	4.5
95.04995	1.3
95.08616	2.4
97.02897	0.6
97.06559	0.8
103.05547	0.6
105.07024	2.9
106.08086	0.5
107.08616	2.0
109.06506	0.8
109.10162	1.2
111.08104	0.8
115.05508	0.5
117.07036	1.5
119.08601	2.3
121.10167	1.7
123.08118	0.6
129.07039	1.1
131.08603	1.5
133.10168	1.8
135.11707	0.6
137.09669	0.8
145.10172	1.2
147.08098	0.5
147.11691	1.1
148.56889	0.4
149.09671	1.2
157.10146	0.8
159.11691	0.6
173.11694	0.6
184.07463	0.9
189.11327	0.8
227.12758	0.5
267.15826	0.6
281.74957	0.5
283.15164	6.9
335.21890	5.6
339.17773	4.8
345.43356	0.5
358.58813	0.6
370.88651	0.6
391.24634	2.8
489.35867	1.5
537.30328	0.5
651.40826	100.0
652.40973	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	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03949	10.9
54.08934	1.6
55.01865	3.8
55.05511	41.8
57.03174	1.8
57.03431	11.0
57.07074	2.3
59.04998	2.7
65.03935	4.9
65.22649	1.9
67.05508	100.0
69.03431	24.8
69.07068	18.4
69.85709	3.2
69.86100	5.5
71.01350	2.6
71.04991	10.3
73.02904	2.1
79.05495	42.1
81.03421	69.4
81.06586	4.0
81.07059	68.3
83.04985	32.2
83.08627	17.0
85.02895	5.3
85.06548	3.6
89.05021	2.0
91.05479	27.2
93.07050	35.3
95.04975	9.3
95.08613	46.8
97.02892	22.8
97.06555	2.9
97.10187	16.7
98.20770	2.3
99.04473	6.7
99.08160	2.4
103.05399	2.4
105.07028	21.9
107.04931	3.3
107.08599	25.4
109.02876	13.3
109.06510	2.7
109.10155	62.7
111.04439	9.4
111.08092	3.5
117.07005	12.9
119.08585	20.9
121.06485	3.3
121.10137	17.5
123.08072	1.9
123.11699	7.3
125.09634	18.3
127.03917	13.1
129.05502	20.4
129.06961	8.8
131.08589	13.7
133.06506	3.9
133.10147	12.0
135.08038	6.3
135.11691	10.1
137.09595	4.0
137.13181	2.6
141.07004	3.7
143.08569	8.5
145.06514	2.3
145.10130	10.9
147.08073	4.1
147.11687	8.6
149.09688	2.7
149.13246	6.8
155.08598	4.3
155.10704	3.0
157.10135	6.3
159.08109	2.0
159.11754	8.7
161.09613	2.0
161.13261	7.3
163.11215	2.7
163.14850	2.3
169.10138	4.6
171.10274	2.0
171.11682	5.4
173.09651	2.7
173.11749	10.6
173.13257	7.4
175.14963	2.3
180.50731	2.3
181.10133	2.4
183.11707	2.4
185.09734	2.2
185.13269	2.9
187.14903	2.5
189.11252	18.7
197.13280	2.6
199.14717	2.2
215.14383	2.3
227.12744	19.5
229.14360	20.4
245.13814	6.7
259.20636	4.5
261.22061	9.8
263.23761	4.1
277.21658	3.7
297.13324	2.6
299.14890	3.6
301.21423	3.3
303.23282	4.7
317.24789	2.3
319.22748	2.7
327.23026	2.2
335.25897	13.0
337.27368	21.4
339.23172	2.3
345.24249	2.5
351.23099	5.2
367.47220	2.1
369.24240	9.1
371.16901	8.8
373.18655	6.0
387.25272	6.9
406.85083	2.2
443.27670	2.4
479.29877	3.4
487.33795	2.6
489.35696	3.9
507.36575	5.6
559.36304	2.7
597.37915	3.1
615.39038	5.7
633.40387	17.0
651.40930	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2815
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
55.05476	1.0
57.03386	0.6
57.07048	1.3
65.34647	0.5
67.05508	3.6
69.03384	1.2
69.07024	1.3
69.29651	5.9
72.82410	0.6
73.61397	0.7
79.05436	1.9
81.03370	2.6
81.07052	3.7
83.04932	0.8
83.08580	1.0
85.02837	0.7
86.09683	0.7
88.18755	0.7
88.30412	0.6
91.05434	0.9
93.06978	1.4
95.08596	3.7
97.02859	1.3
105.06960	1.3
109.02750	0.6
109.10098	2.3
119.08565	1.2
121.10091	0.7
126.09794	0.6
133.10098	0.8
135.11670	0.9
138.93704	0.6
164.51804	0.6
182.09691	0.8
184.07269	2.4
215.12704	0.8
223.12424	0.7
229.14268	0.7
269.64798	0.7
277.12158	0.7
313.27438	1.7
339.18164	0.7
374.16605	1.3
377.17612	0.6
378.18530	1.0
385.14551	0.9
386.15747	0.7
390.19614	0.8
391.19171	1.9
392.19968	1.0
398.16260	1.0
399.16068	2.6
400.16940	4.0
401.17801	4.2
402.18625	1.4
403.19556	1.1
405.20718	1.5
407.22256	3.3
412.17325	1.0
413.17731	2.6
414.18533	4.5
415.19266	9.7
416.20013	1.0
417.20822	2.3
418.19119	0.8
419.18677	1.7
425.17880	0.8
427.14725	0.8
427.19699	1.3
428.20264	3.0
429.15836	1.0
429.21304	9.9
430.21368	2.5
431.18613	2.1
434.21021	0.7
435.21619	1.5
439.19348	1.6
441.17160	2.2
442.17532	1.2
443.18466	5.3
443.22882	3.6
444.18716	5.9
445.20480	4.2
446.21170	1.5
447.17645	1.0
455.19098	1.7
456.19504	1.8
457.20502	5.0
458.21121	3.7
459.18054	2.0
461.19553	1.4
462.20639	0.8
471.22275	7.9
472.23392	4.7
473.19421	4.8
474.20459	2.7
484.18771	1.3
485.19876	2.8
486.20670	6.3
487.21667	3.1
489.18527	0.8
489.23834	1.4
490.19907	4.7
499.21381	11.3
500.23004	3.8
502.19998	0.8
503.24896	4.3
513.19257	0.7
514.20013	1.0
516.21521	2.4
517.22467	8.6
521.25299	1.3
527.20740	3.2
528.21387	0.9
531.24011	15.8
543.23633	1.2
549.25012	7.4
559.23456	100.0
560.23901	3.7
578.79590	0.7
581.77264	0.7
587.22961	17.0
591.25568	2.0
619.25543	98.7
620.26154	3.2
651.28162	22.5
651.44757	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	650.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10548	0.1
53.18349	0.1
56.05025	0.7
57.07070	0.2
58.06348	0.2
58.06619	0.4
59.07393	0.2
60.08167	6.1
60.63015	0.1
62.87623	0.2
64.74648	0.2
65.93299	0.1
67.05489	0.5
69.92255	0.7
70.95849	0.1
71.07376	3.5
86.09708	31.0
95.08591	0.1
97.17970	0.2
98.21095	0.5
98.98470	3.4
104.10745	2.4
107.68533	0.1
109.10149	0.3
109.87465	0.1
125.00006	20.6
158.37111	0.2
184.07344	100.0
185.07671	0.6
274.28619	0.2
274.31790	0.2
277.34375	0.2
279.36777	0.2
436.07208	0.2
581.51434	0.2
592.20392	0.2
650.43958	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	647.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.6
57.07074	2.4
67.05501	1.7
69.07079	1.2
71.08620	2.2
79.05519	0.8
81.07050	2.1
81.07504	0.5
83.08627	1.0
85.10196	0.8
91.34301	0.5
93.07066	1.0
95.08601	1.1
109.10168	1.1
125.27603	0.5
139.33170	0.5
171.97618	0.5
174.63957	0.5
207.99234	0.5
313.27432	1.0
335.22012	7.0
391.24600	5.6
625.32697	0.5
647.48590	100.0
648.49255	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	649.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02129	2.8
51.02383	3.9
53.03950	15.3
55.01864	8.4
55.05521	32.9
57.03445	13.9
64.70251	3.0
65.03934	7.1
67.05513	69.8
69.03436	21.1
69.07066	20.2
71.04977	6.0
79.05502	95.4
80.84206	2.6
81.03430	41.1
81.07063	57.5
83.05000	22.4
83.08619	6.2
85.02908	17.0
85.06531	2.7
85.15591	2.3
88.27112	2.5
91.05490	100.0
93.06482	4.8
93.07055	86.2
95.04976	34.8
95.08620	44.0
97.02879	7.6
97.06525	9.1
97.10164	6.1
98.20731	5.1
99.04479	3.3
103.05462	3.9
105.04501	4.4
105.07040	62.6
107.04946	13.7
107.08616	24.9
109.02887	8.8
109.06532	12.0
109.10154	12.5
111.04440	4.3
111.08125	3.4
115.05479	8.8
117.07040	26.0
119.08589	40.1
121.06511	12.2
121.10146	9.5
123.04430	2.9
123.08078	8.5
123.83001	2.3
127.03894	5.3
128.06238	9.6
129.07008	33.1
131.04945	4.7
131.08572	22.4
133.06491	11.2
133.10161	18.2
135.08049	5.0
135.11726	4.4
141.07014	5.9
143.08582	21.7
145.06467	9.7
145.10155	16.8
147.08023	6.5
147.11707	32.3
154.07793	3.3
155.08565	6.2
157.06561	4.7
157.10170	5.9
159.08055	7.5
159.11667	6.8
161.09663	4.6
161.13257	15.7
163.11224	5.5
169.10191	3.7
171.08037	7.2
171.11716	40.7
173.04449	8.4
173.09628	4.8
173.13319	3.9
177.12590	2.7
179.14410	3.6
181.10124	4.0
183.07957	2.7
184.07288	3.4
185.13283	4.4
187.11230	4.0
189.12805	16.6
207.13824	38.8
221.15414	4.8
223.14821	3.8
225.14796	4.5
227.69391	2.6
241.15965	3.6
251.14359	4.8
259.16949	4.0
269.15479	12.5
279.16098	4.7
281.17514	48.3
287.16437	14.8
305.17542	4.4
343.19177	3.0
351.18127	2.9
361.19864	4.0
381.54968	2.5
425.22034	6.1
437.47992	2.5
487.30591	38.0
501.32382	4.5
539.32959	2.9
567.33167	7.2
631.34985	4.7
649.38043	13.7
649.50537	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	649.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.6
51.63884	1.9
53.03951	4.7
53.06247	1.8
55.01872	2.8
55.05520	17.3
55.12976	1.4
56.74546	1.5
57.03434	6.2
57.07072	1.7
61.02922	3.9
67.05508	45.6
68.05831	1.9
69.03424	13.2
69.07070	10.4
71.01351	1.6
71.05014	3.8
71.51432	1.8
71.51824	2.1
79.05505	23.2
81.03422	23.2
81.07063	26.3
83.04996	6.1
83.08624	11.8
85.02912	4.8
85.06554	2.1
91.03972	1.9
91.05486	26.7
93.07047	23.7
95.04955	8.1
95.08614	18.3
97.02901	10.8
97.06554	3.8
97.10168	8.9
105.01981	1.5
105.07040	21.6
107.04967	2.5
107.08607	14.9
109.02894	2.9
109.06523	6.4
109.10168	24.1
111.04443	2.2
111.08102	3.3
115.05402	1.6
117.07016	11.3
119.08585	18.0
119.32681	1.7
121.06552	2.1
121.10156	11.8
123.08143	3.6
125.09643	9.5
127.03939	6.0
128.06250	2.0
129.07037	6.4
131.08589	12.5
133.06525	2.7
133.10153	13.4
135.08092	3.3
135.11723	4.7
141.06993	3.3
143.08528	8.2
144.09268	1.6
145.06592	2.3
145.10118	14.0
147.08099	3.2
147.11749	5.5
149.09660	3.6
149.13269	2.3
151.07590	4.6
155.08615	5.7
155.10715	2.6
156.09386	2.3
157.10173	8.6
159.08020	1.9
159.11743	10.1
161.09630	1.7
161.13350	4.1
163.11224	3.3
167.08667	2.6
169.10165	5.8
171.08128	1.7
171.11732	6.4
173.09712	2.1
173.11812	5.6
173.13322	4.2
175.11180	2.1
175.14960	2.0
179.08635	2.7
181.10249	2.6
181.12329	2.3
183.11790	2.7
185.09682	2.7
185.13315	3.5
187.11189	1.9
189.11290	7.2
195.11751	4.7
197.13353	4.5
199.11331	2.1
199.14919	2.2
203.14236	1.8
207.13815	1.7
209.13338	4.3
211.14883	2.9
221.15469	3.0
227.12877	6.4
229.14294	8.0
241.19537	4.1
245.13690	3.0
248.34683	1.7
259.20721	5.0
261.22113	4.3
271.20697	3.9
283.15317	5.8
333.20517	4.2
333.24240	3.5
335.25867	3.7
339.17886	3.8
367.22763	4.4
369.24252	2.4
371.17065	1.9
373.18704	3.8
389.23099	2.3
403.24847	2.5
487.34241	22.7
505.35269	1.8
595.36401	5.7
613.37573	4.8
631.38275	9.9
649.39294	100.0
650.39691	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	646.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.0
55.01870	7.7
55.05518	34.1
56.94091	2.2
57.03444	13.6
57.07078	4.1
59.04997	4.0
59.38396	2.3
65.03933	3.4
67.05510	69.3
69.07075	21.5
71.04998	9.1
71.08624	12.1
77.45751	2.5
79.05506	52.4
81.03426	100.0
81.07065	75.0
83.04984	12.1
83.08634	36.6
85.02910	3.5
85.06531	4.2
91.05493	52.4
93.07059	51.7
95.04974	27.1
95.08617	34.3
97.06553	8.6
97.10186	15.4
99.08122	7.2
101.00462	2.3
105.07040	36.2
107.04966	8.3
107.08605	31.6
109.06532	8.5
109.10175	13.5
111.08103	10.5
115.05416	3.3
117.07031	13.3
119.08604	25.2
121.06517	4.4
121.10162	18.5
123.08092	4.5
123.11726	3.2
125.09629	17.2
129.07024	15.5
131.08592	27.2
133.06407	3.4
133.10126	20.7
135.08073	5.3
135.11700	7.0
137.06030	2.7
137.09666	4.5
139.11185	3.1
142.07712	3.1
143.08627	5.7
145.06474	3.2
145.10117	8.7
147.08076	7.3
147.11737	17.1
149.09631	10.2
149.13274	12.1
151.11235	17.1
153.09108	2.6
155.08609	6.4
157.10165	12.1
159.08186	2.7
159.11703	9.8
161.13234	4.9
163.11205	9.3
165.12801	3.4
171.10208	2.5
171.11665	4.1
173.13338	3.8
175.11220	11.6
175.15031	2.8
177.12679	5.0
179.14212	3.6
181.12344	2.5
185.97888	2.7
189.11230	6.9
193.12244	24.7
195.13872	7.3
211.13263	5.3
217.15948	4.0
227.12785	19.9
249.14856	4.4
267.13089	3.8
267.15945	80.0
269.17511	26.8
277.21600	13.2
289.23740	2.5
293.21286	5.1
351.25803	13.3
369.24298	9.5
387.25507	4.1
428.58191	2.7
437.25159	7.1
443.27750	11.2
447.27643	7.1
451.32602	3.2
461.22522	4.5
461.29056	88.9
469.32718	3.5
493.31754	17.9
543.36823	34.2
561.37738	8.2
639.55310	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	646.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.01881	2.5
55.05521	10.3
57.03425	1.6
57.07077	16.3
59.05008	11.8
67.05519	11.2
67.05824	2.0
69.03435	2.0
69.07064	6.9
71.05000	1.8
71.08636	2.6
71.51485	2.4
75.04481	5.8
79.05504	13.0
81.03414	4.5
81.07068	14.3
82.07425	1.9
83.04988	30.2
83.08636	2.7
85.06551	18.9
89.06037	41.7
91.05492	9.9
93.07053	15.9
95.04999	10.6
95.08617	12.5
97.06547	18.0
99.08117	4.6
105.07040	13.4
107.08591	14.2
109.06478	2.3
109.10178	7.6
115.05503	1.6
115.07584	5.4
117.07059	3.8
119.08603	18.5
121.10147	11.9
123.08070	5.6
123.11708	1.7
125.05069	3.4
125.05989	51.8
125.09630	2.6
129.07021	5.0
131.08583	10.2
133.10165	11.3
135.08084	4.0
135.11699	6.2
142.07730	3.9
143.08572	5.1
145.10146	15.0
147.11713	4.2
149.09651	4.3
151.11209	3.8
155.08508	3.3
156.09377	2.2
157.10124	8.7
158.10910	2.6
159.11719	6.0
161.09596	2.4
163.11192	57.5
165.07059	2.0
168.09407	2.2
169.10191	3.5
171.11670	4.4
173.13231	8.4
175.11179	2.4
175.14839	7.4
177.12816	1.8
179.14348	3.3
181.12244	100.0
183.11716	5.5
187.14853	1.9
193.10094	2.7
194.11052	1.8
195.11736	2.3
196.12576	1.6
197.13319	4.2
199.14932	2.5
199.93919	1.4
201.12828	2.5
201.16370	1.7
207.11742	2.0
209.13312	4.8
214.94620	1.6
215.14468	2.3
217.15877	1.6
220.12581	1.7
221.15393	1.9
223.14964	2.2
223.16972	5.5
227.14421	2.9
239.17966	3.0
247.14786	1.7
249.14847	2.1
257.19080	3.2
264.17270	3.8
265.17825	3.4
277.21725	2.5
278.22015	2.3
284.93881	1.6
289.21683	11.8
297.22119	1.6
352.25665	2.0
381.27863	7.1
411.58234	1.9
433.31003	2.9
490.04959	1.8
628.45831	3.8
646.46790	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	646.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01864	0.4
55.05514	4.5
57.03426	1.0
57.07080	15.6
58.07384	0.3
59.05003	0.4
62.92764	0.3
67.05507	10.8
69.03422	0.6
69.07069	4.2
71.04985	0.9
71.08639	11.7
71.51579	0.4
71.52036	0.6
75.04488	0.6
79.05496	5.3
81.03423	32.9
81.07063	11.4
83.04974	1.5
83.08624	9.8
85.06549	0.5
85.10191	5.8
91.05482	6.7
93.07051	4.6
93.43956	0.3
95.04974	8.6
95.08611	12.0
97.02891	1.0
97.06522	0.6
97.10173	2.3
105.07035	5.0
107.04968	2.1
107.08591	1.8
109.06544	1.1
109.10163	5.1
111.04491	0.4
111.08088	2.2
115.05445	0.5
117.07019	1.1
119.04911	0.5
119.08585	5.1
121.06515	1.5
121.10191	1.7
122.10542	0.3
123.08063	0.6
123.11707	1.8
125.09641	0.6
127.21665	0.3
129.06993	4.2
131.08562	3.5
133.06490	1.3
133.10123	1.6
135.11691	0.5
137.09599	0.7
137.13228	0.6
142.07806	0.9
145.10049	0.6
147.08058	1.4
147.11696	2.9
149.09618	1.6
157.10117	3.2
165.12759	0.6
175.11147	2.6
193.12251	8.8
205.12180	0.4
213.12698	0.4
231.13869	0.6
236.16438	4.7
239.23682	2.4
249.14900	3.3
251.16545	0.4
267.15942	1.5
282.27930	1.3
295.11926	0.3
313.27432	1.9
388.68866	0.4
422.02628	0.4
505.38913	100.0
506.38962	2.3
516.37921	0.4
628.45398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	10.2
55.01860	10.9
55.05513	63.4
57.03430	9.9
57.07071	11.0
59.04992	3.1
61.88401	2.5
65.03941	5.8
66.19502	2.4
67.05507	98.4
69.03422	5.0
69.07079	34.1
71.04970	6.2
71.08637	27.1
71.28419	3.3
75.04464	8.9
79.05498	75.9
80.05816	3.0
81.03393	7.0
81.07060	87.4
82.07402	4.0
83.04971	11.6
83.08219	3.0
83.08623	31.9
85.06551	4.7
89.06016	4.6
91.05487	52.9
93.07053	73.5
94.07349	3.3
95.04977	12.3
95.08612	52.6
97.06528	9.5
97.10177	44.8
99.08077	10.4
102.06003	2.9
103.05431	3.9
103.25714	3.1
105.06396	4.0
105.07038	47.0
107.04948	7.4
107.08596	48.7
109.06517	8.6
109.10168	32.4
111.08086	8.9
115.05433	3.3
117.07027	27.4
118.96944	2.7
119.08591	37.9
121.06514	7.3
121.10152	22.3
123.08079	5.6
123.11700	11.9
125.09631	26.2
128.06216	3.4
129.07030	17.8
131.08571	43.1
133.06516	3.1
133.10139	26.6
135.08044	10.9
135.11711	17.0
137.09634	5.2
137.13278	4.1
139.11157	2.5
141.06937	3.8
142.07851	2.7
143.08560	17.6
144.09331	2.6
144.89333	2.4
145.09212	3.0
145.10146	29.5
147.11694	18.9
149.13242	8.7
151.11203	5.6
155.08565	8.6
157.10173	13.4
159.11658	18.8
161.09657	5.0
161.13264	10.0
163.11182	8.2
163.14790	6.5
165.12788	3.8
167.08563	3.4
169.10129	9.4
171.11691	11.6
173.09564	3.8
173.11888	3.1
173.13278	12.9
175.11176	3.2
175.14777	9.8
177.12779	2.9
179.14320	8.4
181.10118	3.7
183.11752	8.2
185.09523	4.6
185.13242	9.0
187.14804	10.5
189.11266	18.6
189.12662	3.7
189.16382	3.9
195.11874	3.1
197.13225	5.4
199.14850	7.6
201.16409	4.6
209.31157	2.9
211.45174	3.2
213.16341	5.2
215.17906	3.9
227.12776	23.2
227.17882	3.5
229.19502	4.5
237.14806	3.6
243.21040	9.7
245.13867	4.3
257.22586	3.5
261.22098	7.5
263.20245	2.7
269.22739	4.7
273.18372	2.8
273.22235	4.2
275.20001	11.7
277.21652	12.9
279.22913	3.1
285.22113	5.4
287.23593	6.1
291.19427	9.2
292.19971	7.8
293.21118	67.7
301.25171	7.2
325.25031	3.3
335.25931	17.1
349.23642	3.5
351.25146	7.4
367.24710	18.8
367.29501	5.5
383.33127	21.4
385.31000	6.0
401.15460	3.3
401.33713	4.4
406.12689	2.8
435.32373	3.0
444.93204	2.8
453.34274	3.5
513.35718	10.8
527.37329	21.2
529.39142	3.1
531.36505	4.7
535.41235	7.1
545.38409	8.7
553.42365	8.1
571.43347	5.6
609.44977	10.9
627.46149	100.0
628.46332	4.2
645.32446	6.1
645.46783	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36177	1.6
53.03940	7.4
53.54693	1.5
55.01872	6.5
55.05267	2.6
55.05516	31.4
57.03439	7.6
57.07075	6.1
59.05008	1.5
65.03949	3.9
67.05504	82.8
69.03439	2.7
69.07066	25.0
69.55647	4.6
69.56063	6.7
71.04986	3.9
71.08630	48.5
73.06569	1.7
75.04486	15.9
79.05492	66.5
81.03412	8.3
81.07058	84.0
82.45394	1.7
83.04984	13.3
83.08627	21.2
84.49921	1.8
85.06551	6.2
85.10201	1.9
89.06037	7.8
91.04906	2.8
91.05479	53.1
93.07044	80.3
95.04983	18.3
95.08606	54.7
97.06550	15.7
97.10146	9.5
98.20723	1.6
98.98476	2.1
99.08092	36.3
105.04530	2.1
105.07037	44.2
107.04957	8.2
107.08597	49.1
109.06519	11.3
109.10163	23.5
111.08085	7.3
113.06017	2.2
113.09631	4.9
115.05440	2.2
117.07011	14.8
119.08591	29.7
121.06529	4.0
121.10146	37.0
123.08105	4.1
123.11720	6.5
125.09631	4.8
127.11195	2.3
128.06270	2.2
129.07005	7.2
131.08572	15.8
133.08617	1.9
133.10136	26.8
135.08095	6.5
135.11694	42.9
137.09608	4.4
139.11186	2.6
141.09052	3.0
142.07657	1.9
143.08546	5.1
145.10133	16.6
147.08089	2.9
147.11703	15.9
149.09613	3.3
149.13231	14.7
150.07838	2.1
151.11176	32.1
153.12727	2.6
155.08546	2.2
157.10132	6.9
159.11722	10.3
161.09662	1.8
161.13271	20.2
163.11205	17.0
163.14854	3.0
165.12787	5.8
167.10692	2.9
171.11723	7.6
173.11913	2.3
173.13307	5.6
175.11159	3.0
175.14839	4.5
177.12767	6.6
179.14314	100.0
181.12233	2.5
183.11681	2.1
185.13234	4.1
187.14842	3.0
189.11189	2.0
189.12737	4.1
195.13847	2.5
197.13203	2.5
199.14812	2.3
207.13631	2.5
209.15210	1.7
213.16324	2.0
221.15305	3.7
223.17014	4.2
227.13004	3.9
231.20885	1.9
235.16917	4.5
241.19536	6.0
251.16414	1.7
259.20526	10.8
273.18542	2.6
275.20206	3.9
277.21637	95.9
291.19632	9.6
293.21042	5.1
295.22711	9.4
333.23843	2.3
335.25949	3.3
337.27274	3.1
351.25302	61.4
384.21487	1.9
408.04306	2.0
513.35614	1.7
529.38965	4.7
545.38373	34.3
609.45355	2.3
627.46179	51.8
628.46783	3.2
645.27368	2.7
645.47375	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	645.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.81887	0.3
57.03433	0.9
57.07079	2.4
57.33571	0.3
61.12514	0.3
63.03476	0.3
67.05506	1.8
69.07063	1.1
71.08634	1.3
71.11872	0.5
71.12209	0.4
79.05494	1.0
79.21146	0.3
81.07053	2.5
83.08621	0.8
85.10182	1.4
87.04512	0.3
89.06024	0.4
91.05500	0.9
93.07063	1.2
95.08596	1.5
97.10180	0.6
105.07002	0.6
107.08629	0.5
109.10139	0.4
149.13301	0.4
221.86137	0.3
251.12682	0.3
313.27414	0.9
333.20325	7.3
389.22980	5.7
406.48810	0.4
465.53644	0.3
533.42175	2.1
547.39594	0.5
555.46503	0.3
645.47021	100.0
646.47308	3.0
660.50458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90458	0.4
55.05505	0.7
57.03445	0.8
57.07084	2.6
63.15308	0.5
67.05500	3.1
68.39063	0.5
69.07070	2.4
71.08625	1.8
71.43338	0.9
79.05479	1.1
81.07045	2.8
83.08614	1.1
85.10187	0.9
88.73667	0.5
89.06019	0.8
91.05485	1.2
93.07045	2.0
95.08626	2.7
97.10184	0.5
103.94465	0.5
105.07021	0.7
107.08601	0.8
111.08096	0.5
112.09315	0.4
135.11765	0.6
217.91666	0.5
267.44077	0.5
313.27332	1.1
333.20377	7.4
389.22995	5.7
395.50772	0.6
445.26962	0.5
533.42169	3.6
547.40405	0.6
645.47040	100.0
646.47156	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	644.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01872	2.2
55.05525	5.3
57.03438	4.0
60.82703	0.9
62.96624	1.1
65.03953	1.0
66.72289	0.9
67.05509	12.6
68.05853	1.1
69.03419	1.6
69.07072	7.5
71.08640	5.8
71.51141	1.5
74.58379	0.9
79.05495	10.4
79.73577	1.2
80.05797	0.9
81.03423	23.9
81.07066	9.8
83.04979	3.1
83.08627	5.5
86.88083	1.0
91.05480	12.1
93.07056	8.5
95.04967	8.4
95.08620	6.0
97.06555	2.1
97.10188	1.2
99.08109	3.6
105.07043	7.2
105.65762	1.0
107.04979	3.2
107.08607	6.5
107.57842	1.0
109.06509	2.7
109.10179	4.5
111.08123	2.2
117.07005	1.9
119.08584	5.3
121.06516	2.4
121.10171	3.8
123.08089	1.7
125.09653	1.8
128.06229	1.0
129.07047	1.6
131.08566	4.6
133.06544	1.2
133.10141	5.5
135.11732	2.4
145.10170	1.8
147.11693	2.4
149.09633	1.6
151.11224	1.6
157.10172	3.2
173.09621	1.1
175.11252	2.2
193.12222	5.2
211.13228	1.9
219.13756	1.1
227.12823	1.9
235.41800	1.1
267.15936	25.6
275.20157	4.2
277.21732	1.0
292.19894	1.0
293.21143	38.8
367.24838	11.6
397.12631	1.6
398.13022	1.2
410.13846	1.1
411.14346	3.0
412.14819	6.1
413.15500	4.5
414.16522	1.6
424.15039	1.3
425.15994	3.7
426.16656	10.3
427.17078	9.6
428.18149	1.5
439.13260	4.9
440.13803	12.3
441.14313	1.2
441.19186	10.6
442.19589	30.4
443.19226	4.5
453.14960	5.7
454.15533	12.6
455.16318	3.5
456.16956	1.4
458.15277	1.2
467.17160	4.3
468.17499	23.8
469.18179	14.0
470.19089	8.7
471.18436	1.6
481.14911	2.1
482.15234	13.3
483.15933	4.3
495.16501	1.1
496.16483	2.2
497.17273	15.0
498.17795	2.7
499.19455	1.5
510.18704	2.8
515.22723	2.3
524.20135	1.9
528.23236	3.7
546.38519	1.4
555.22247	2.1
556.22711	31.7
557.22839	4.9
559.36389	19.6
583.21991	4.8
584.22217	100.0
585.22180	16.6
616.24646	10.6
617.24878	2.4
644.24182	58.9
645.24060	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	644.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
53.42738	2.5
55.01876	12.4
55.05511	31.7
55.37278	2.5
57.03451	16.1
57.07095	3.8
61.77230	2.7
65.28188	2.9
66.42095	2.5
67.05506	75.0
69.03423	5.3
69.07076	25.7
71.04987	9.2
77.30956	2.9
79.05488	63.3
81.03418	87.2
81.07062	71.0
83.04991	12.7
83.08630	29.4
85.06532	4.2
91.05483	55.5
93.07047	48.4
95.04969	28.8
95.08607	29.2
97.06542	19.8
97.10203	13.6
97.10780	2.6
98.21559	4.4
99.08073	3.8
99.13465	3.1
105.04526	2.8
105.07032	40.8
107.04956	10.9
107.08596	32.4
109.06508	9.6
109.10159	13.2
111.04451	3.3
111.08087	14.0
115.05453	3.5
117.06998	17.4
119.08589	30.6
121.06499	8.6
121.10140	19.6
123.04498	2.9
123.08040	5.2
123.11728	2.8
125.09646	9.4
128.06197	2.8
129.07005	16.7
131.08546	29.6
133.06502	8.1
133.10132	21.3
135.08083	3.9
135.11688	12.1
137.09636	3.7
139.11179	3.4
143.08542	7.6
145.10127	14.9
147.08096	4.8
147.11694	16.1
149.09642	12.4
149.13251	11.0
157.10123	17.1
159.11700	10.0
161.13327	4.3
163.11192	9.0
165.12878	3.7
171.11714	3.3
175.11240	9.0
177.12735	5.3
183.11688	3.3
185.13249	3.0
189.11237	6.4
193.12219	26.5
197.13278	5.5
200.15631	3.1
203.26181	2.8
227.12782	12.0
255.15738	13.5
257.18994	6.0
257.23416	3.5
267.15927	100.0
269.17532	29.8
270.35919	3.1
273.18872	3.9
275.20154	22.2
291.19833	4.5
349.23804	18.0
355.22751	3.3
367.24588	4.3
369.24207	10.9
443.27841	10.1
447.27405	26.1
461.28946	78.9
493.31534	9.0
541.35052	25.7
559.36230	10.4
564.71881	3.5
567.52130	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	644.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.3
55.01867	12.6
55.05269	3.7
55.05512	43.3
57.03443	21.7
57.07084	3.8
65.03949	5.3
67.00086	3.0
67.05508	92.0
69.03417	11.6
69.07066	36.9
70.02335	13.3
71.04996	15.3
72.62815	2.6
75.04454	3.7
79.05498	79.2
80.73344	2.8
81.03425	100.0
81.06592	5.4
81.07059	98.6
81.48537	3.0
83.04985	16.4
83.08624	28.6
85.06541	8.8
87.35340	2.7
87.96024	2.8
88.74645	2.5
91.05482	77.8
93.06483	5.8
93.07047	77.4
93.07628	4.1
95.04974	34.8
95.08613	36.0
97.02863	5.1
97.06542	18.0
97.10169	25.5
98.21432	3.0
99.08093	5.5
103.05480	4.3
105.06397	5.3
105.07033	58.0
107.04929	15.5
107.08603	50.4
109.06490	10.3
109.10141	29.2
111.08069	12.4
115.05462	5.8
117.07011	27.0
119.08587	49.6
121.06500	13.5
121.10126	27.7
123.08070	7.8
123.11744	4.1
125.09640	21.1
128.06232	3.2
129.07031	18.6
131.08551	30.8
133.06511	4.9
133.10161	32.3
135.08029	4.8
135.11713	20.2
137.09619	8.1
141.06947	3.3
142.07762	4.1
143.08525	10.1
144.09312	2.7
145.06462	4.2
145.10136	21.1
147.08052	6.9
147.11705	25.0
149.09639	18.9
149.13246	8.0
151.11168	7.0
155.08539	6.6
157.10120	20.8
159.11714	17.2
161.13293	5.8
163.11147	14.1
165.12802	6.0
169.10132	6.9
171.11664	9.5
173.13286	3.2
175.11217	12.6
177.12727	3.6
179.14352	3.1
181.10112	4.3
181.12245	4.0
185.13200	3.9
189.11176	5.3
193.12239	28.7
195.13821	7.8
205.12094	3.8
209.11696	3.0
211.13220	5.2
219.47424	3.1
225.14937	4.3
227.12769	19.7
229.14278	5.7
245.13689	4.2
255.15869	14.8
257.19046	7.6
267.15936	78.0
269.17435	21.9
271.49582	2.9
275.20105	30.6
291.19662	3.4
309.20709	4.9
349.23801	24.2
351.22906	2.7
360.71552	3.4
367.24741	4.5
369.24277	7.6
419.24606	3.1
421.25644	3.7
437.24939	4.4
443.27905	5.8
447.27435	25.8
449.30414	4.6
461.29068	60.6
477.28296	10.5
493.31418	10.2
501.80893	3.3
530.38971	2.8
541.35321	34.2
546.38397	6.2
559.36115	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	643.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	2.5
53.03936	6.0
55.01880	9.8
55.05516	32.0
57.03435	9.5
57.07062	4.2
57.58345	1.9
65.03954	2.9
65.27925	1.8
67.05505	83.8
69.03416	4.6
69.07073	32.1
71.04979	5.5
71.08637	3.0
71.51750	1.9
75.75620	1.7
77.03938	2.8
79.05494	61.3
80.05825	2.9
81.03407	10.6
81.07054	100.0
82.07410	2.3
83.04964	11.3
83.08624	17.0
85.06532	7.7
91.05480	72.2
92.05776	2.3
93.07043	63.4
95.04978	14.5
95.08605	53.4
97.06532	11.6
97.10166	5.8
99.08091	2.7
103.05460	2.6
105.04523	3.2
105.07033	69.2
107.04938	7.8
107.08604	41.6
107.09323	4.1
109.06522	8.4
109.10155	29.6
111.08070	8.1
115.05478	3.5
117.07016	23.0
119.08581	56.1
121.06461	5.6
121.10141	30.1
123.08061	7.6
123.11739	11.7
125.09618	5.6
128.06244	3.1
129.07043	12.7
131.08566	33.0
133.06528	3.2
133.10124	39.0
135.08029	7.1
135.11691	17.8
137.05936	2.1
137.09589	5.3
139.11157	3.6
143.08595	14.3
145.10127	29.6
147.08043	3.2
147.11691	43.3
149.09598	8.1
149.13261	10.6
151.11192	4.5
155.08513	5.9
157.10135	14.9
159.11716	23.0
161.09589	2.9
161.13264	22.5
163.11194	10.1
163.14844	3.3
165.12743	5.4
167.08586	3.2
169.10141	6.7
171.11676	13.4
173.09615	2.6
173.11876	3.6
173.13240	15.8
175.11176	4.1
175.14787	10.6
177.12776	3.8
179.14223	2.6
181.10118	2.5
183.11699	5.1
185.13278	11.4
187.11153	3.7
187.13071	1.7
187.14828	5.9
189.11151	3.2
189.12706	3.1
195.11757	2.4
197.13249	6.7
199.14816	6.9
201.12595	2.8
201.16432	2.4
207.13773	2.6
211.14903	3.4
213.16414	3.1
215.18011	2.6
217.15833	2.7
217.19502	2.3
221.15500	1.8
227.12758	2.1
229.14261	3.2
229.19501	3.5
231.21120	4.8
235.16823	2.2
239.17975	3.4
241.19501	22.0
243.21175	2.7
247.20592	2.6
257.18979	8.1
259.18008	3.7
259.20569	40.4
273.18488	4.1
275.20087	39.7
276.20493	4.3
277.21353	8.7
286.85184	2.0
293.21115	6.0
315.23160	6.2
333.24213	36.0
335.25757	2.6
349.23831	7.6
351.24908	2.5
365.23318	3.5
367.24829	21.0
446.29767	2.6
446.97537	2.0
515.37622	3.9
527.37170	2.6
533.39349	4.0
545.38202	12.6
551.40771	4.7
607.43524	10.8
625.44427	19.1
643.30267	2.7
643.45538	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	643.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	2.5
53.03947	8.4
53.05385	1.2
55.01876	11.4
55.05235	1.5
55.05516	35.7
57.03441	9.2
57.07077	6.0
65.03944	5.3
67.05510	76.1
69.03419	3.8
69.06728	2.1
69.07079	29.8
71.04990	6.3
71.08632	4.5
71.51660	1.3
77.03955	1.9
79.05499	66.3
81.03416	6.2
81.07062	100.0
82.07406	1.8
83.04990	11.8
83.08630	19.3
85.06541	3.9
91.04900	2.0
91.05486	63.6
93.07051	65.8
94.07386	1.5
95.04972	12.4
95.08616	51.7
97.06528	14.6
97.10184	7.0
99.08092	6.0
103.05469	1.5
105.07037	61.3
106.07395	1.6
107.04969	9.0
107.08606	41.7
108.08910	1.2
109.06543	12.4
109.10168	20.8
111.08066	7.3
113.09636	1.5
115.05415	2.6
117.07027	20.1
119.08588	54.2
121.06517	6.0
121.10162	23.7
123.08054	6.7
123.11726	7.0
125.06032	1.5
125.09651	5.6
128.06210	3.5
129.05540	2.1
129.07002	12.0
130.07780	2.1
131.08582	31.9
131.09534	2.3
133.10139	42.3
135.08069	6.4
135.11693	18.3
137.05962	2.0
137.09636	3.8
137.13268	1.8
139.11203	2.0
141.07050	5.4
142.07814	1.8
143.08556	11.9
144.09335	1.5
145.06502	2.7
145.10133	28.2
147.08058	2.7
147.11708	32.2
148.12013	1.3
149.09669	9.5
149.13283	14.0
151.11194	5.4
155.08585	5.9
157.10150	13.5
159.08083	2.1
159.11691	22.1
161.09650	2.2
161.13283	20.7
163.11223	9.9
163.14914	3.1
165.12781	5.9
167.08669	2.3
169.10107	8.2
171.11725	13.5
173.09642	3.4
173.13260	14.0
175.11208	4.5
175.14827	9.4
176.96707	1.4
177.12750	6.4
179.14352	3.7
181.10126	3.5
181.12111	1.4
183.11740	5.3
185.13263	11.3
187.11246	2.0
187.14854	5.8
189.12787	3.0
189.16466	1.8
191.14273	1.6
193.12254	2.7
195.11850	1.6
196.12616	1.7
197.13312	5.8
199.14848	5.3
201.16382	2.3
203.14320	2.4
209.13113	2.1
211.14891	2.5
213.16388	3.2
215.17975	2.8
223.14787	2.1
227.12715	2.7
227.17967	1.6
229.19574	1.7
231.21152	3.7
239.17920	4.6
241.19568	16.1
243.21033	2.5
257.19012	7.2
259.20612	26.2
261.22153	3.1
263.20111	4.2
267.15973	2.5
269.17624	2.5
273.18561	4.1
275.17288	2.8
275.20093	35.7
277.21680	12.3
289.21564	4.1
291.19638	4.9
293.21201	8.3
313.21851	1.4
315.23236	3.9
331.22751	2.5
333.24283	20.9
335.25821	5.6
349.23694	11.3
351.25186	5.6
363.25638	2.0
365.23300	3.4
367.24777	10.9
395.29324	1.8
492.02722	1.6
501.35660	2.7
503.37955	2.0
513.35577	2.1
515.38049	3.3
517.39069	1.8
527.37347	4.0
529.89355	1.5
533.40094	3.3
545.38495	12.2
551.40839	2.8
583.21869	2.9
595.43732	1.6
596.41211	1.4
607.43555	8.6
625.36139	1.7
625.44928	23.0
643.24011	2.3
643.45660	13.7
653.94824	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.9
55.01878	10.4
55.05268	3.0
55.05514	42.7
57.03444	10.9
57.07077	5.5
65.03944	7.5
67.05511	96.1
69.03408	4.5
69.06728	3.0
69.07075	39.4
71.04999	6.8
71.08636	21.3
71.51703	2.9
77.03915	1.7
79.05499	68.9
79.11263	1.7
81.03428	7.3
81.07063	100.0
83.04995	9.5
83.08626	23.2
85.06557	7.7
85.10168	2.2
91.04922	2.6
91.05484	62.3
93.07053	68.0
95.04974	13.2
95.08615	58.0
97.02898	2.7
97.06537	13.4
97.10184	17.3
99.08112	12.3
103.05441	2.5
105.07037	46.5
107.04942	9.0
107.08602	44.4
109.06502	7.7
109.10167	30.4
111.04461	3.4
111.08092	6.7
113.09698	1.9
117.07043	18.9
119.07800	3.4
119.08587	36.8
121.06516	11.1
121.10155	29.1
123.08069	7.5
123.11707	9.5
125.09639	17.5
128.06178	3.1
129.06990	11.6
131.08592	32.6
133.06502	4.9
133.10130	32.2
135.08051	6.9
135.11697	20.8
137.09637	4.5
139.07542	3.7
141.09135	3.0
142.07901	3.3
143.08611	16.6
145.10133	26.3
147.08040	5.9
147.11700	14.8
149.09634	6.8
149.13271	7.7
151.11195	10.7
155.08546	5.2
157.10123	11.3
159.08109	3.5
159.11702	20.5
161.09619	6.3
161.13252	12.9
163.11153	2.9
163.14870	2.7
167.10588	2.3
169.10129	7.3
169.12251	2.7
171.10400	2.3
171.11678	10.9
173.13292	9.4
175.11234	6.1
175.14835	5.3
177.12753	4.9
179.14317	18.2
183.11761	6.0
185.09586	2.2
185.13202	9.1
187.11241	3.3
187.14867	6.4
189.11247	7.1
189.12799	3.4
189.16307	2.5
195.11720	3.1
195.13809	4.2
197.13304	4.8
199.11255	2.2
199.14890	4.0
201.16463	3.0
203.14316	2.3
209.13252	4.0
211.14951	4.0
213.16428	3.0
223.13229	9.5
225.16571	2.5
227.12790	8.3
227.17941	2.4
235.16939	2.8
241.19574	3.0
243.21106	4.5
245.18886	2.6
249.14919	3.5
253.14423	3.2
257.18939	2.1
259.20648	4.3
261.22083	9.2
273.18619	11.7
275.20096	6.6
277.21619	14.9
289.18222	3.4
291.19559	71.8
293.21088	25.0
317.24878	3.6
333.24374	2.9
335.25851	26.2
349.23901	2.2
365.23199	20.9
383.29108	2.2
489.35754	5.6
501.35370	4.7
503.36868	4.3
513.35620	2.6
515.38818	3.9
527.37787	3.2
531.40808	4.0
533.39728	5.7
545.38306	5.8
551.40741	5.0
569.41687	3.5
587.99591	2.3
597.45715	2.4
607.43402	6.7
625.44672	55.5
643.45746	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	643.4567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01573	0.9
51.02365	1.5
53.03938	3.8
55.01878	12.0
55.05268	1.4
55.05515	20.4
57.03443	23.7
57.07068	2.9
59.05016	1.2
63.57171	0.8
65.03946	5.3
67.05508	69.7
69.03430	2.7
69.07072	13.1
69.23167	3.1
69.23595	6.9
71.04978	4.3
71.08622	2.3
79.05497	46.0
81.03432	2.0
81.07058	49.2
82.07302	0.9
83.04984	3.4
83.08629	7.0
85.06543	14.6
90.82321	1.0
91.05486	40.8
93.07047	45.9
95.04977	49.1
95.08611	28.9
97.06534	7.4
97.10133	4.7
98.21617	1.0
98.84547	1.0
99.08077	3.8
100.26933	1.0
103.05505	1.2
105.04553	1.2
105.07033	30.5
107.04970	10.7
107.08597	25.6
109.06520	64.7
109.10163	10.9
111.08059	3.9
113.06014	30.2
115.05455	2.7
117.07018	16.7
119.08578	17.2
121.06512	5.3
121.09448	1.2
121.10150	12.3
123.08066	5.1
123.11702	2.4
125.09646	2.4
127.12162	0.9
128.06187	4.0
129.07024	6.0
130.07797	1.2
131.08578	21.2
133.06514	2.4
133.10129	11.9
135.08061	44.9
135.11705	10.7
137.09644	1.5
141.07039	2.3
143.08554	11.4
145.06519	2.6
145.10120	14.8
147.08026	5.1
147.11665	5.3
149.09642	7.6
149.13248	4.6
151.11203	1.5
155.08527	1.8
157.06534	1.0
157.10123	7.1
159.08046	2.9
159.11688	7.6
161.09601	7.5
161.13275	5.2
163.07521	1.2
163.11159	4.1
163.14780	1.1
169.10188	1.5
171.11708	3.4
173.09618	1.8
173.13281	4.0
175.11151	2.5
175.14743	1.6
177.12730	4.6
179.14264	3.2
183.11679	2.9
185.13275	2.7
187.11165	2.2
187.14841	1.1
189.12685	1.7
189.16403	1.5
195.13721	2.3
197.13211	1.1
199.14819	4.4
201.12692	2.2
205.12296	1.2
217.15907	16.5
223.13345	1.4
227.12845	1.6
227.18042	2.3
233.15273	1.4
237.16371	1.4
245.18985	3.4
255.17554	2.8
261.22089	1.8
273.18491	35.3
275.19977	4.5
277.21545	4.3
279.88571	1.0
291.19553	100.0
292.19788	1.8
293.21182	1.9
335.25800	37.0
347.22263	6.5
349.23798	2.2
351.25812	1.2
365.23221	9.8
373.02625	1.2
545.38184	4.3
607.43353	4.2
625.44562	28.2
626.44409	1.3
634.25525	1.2
643.45227	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.7
54.03013	1.3
54.79015	1.2
55.01870	3.0
55.05267	1.9
55.05512	24.6
57.03435	3.0
57.06874	1.1
57.07076	11.7
65.03930	1.7
67.05509	22.1
69.03412	2.4
69.07066	10.0
71.08649	8.0
72.31780	1.3
79.05493	11.9
81.03407	2.4
81.07061	17.3
83.04964	2.8
83.08617	16.7
85.10179	4.1
89.06041	1.7
91.05476	3.1
93.07052	9.9
93.88995	1.2
95.04967	3.1
95.08614	10.5
97.10178	28.2
98.21568	2.5
99.08093	1.7
105.07014	3.3
107.08591	14.7
109.10183	8.1
111.08004	1.3
117.06982	2.6
119.08597	2.2
121.10136	1.7
125.09633	24.1
133.08595	2.2
133.10138	2.6
135.08052	3.2
135.11676	1.8
149.13248	3.8
151.11153	2.7
153.09102	1.5
161.13234	2.1
171.10156	2.1
175.14822	1.4
179.14342	1.5
185.98167	1.4
189.11227	14.9
227.12801	100.0
231.15842	1.9
259.20642	1.6
277.21655	11.4
295.22571	2.9
308.69177	1.4
313.23920	1.7
313.27353	21.3
314.27753	1.3
351.25308	15.5
483.36954	10.2
507.39389	2.2
509.96240	1.5
531.40503	3.6
589.48291	21.8
605.15485	1.8
642.43958	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	643.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01825	0.5
55.05464	0.4
67.05438	1.3
69.06998	0.4
69.15057	3.8
71.08583	0.4
76.15469	0.4
79.05429	1.0
81.03371	0.6
81.06991	1.6
85.73953	0.3
91.05417	1.2
91.05937	0.3
93.06980	1.1
95.04896	0.4
95.08567	0.6
95.40310	0.3
105.06973	1.0
107.08527	0.8
108.08804	0.3
109.10097	0.5
119.08508	0.5
119.10941	0.4
128.20720	0.4
133.10074	0.6
147.11615	0.5
149.09529	0.5
190.22034	0.4
227.12694	0.4
227.53107	0.4
253.14171	0.7
351.25290	0.4
395.10950	0.4
396.12253	1.5
397.12778	2.4
398.13745	0.9
399.14590	0.6
409.12903	0.7
410.13751	2.6
411.14560	5.2
412.15405	3.9
413.15906	2.7
423.15131	2.0
424.11255	1.8
424.16376	2.4
425.16333	12.0
425.21927	0.7
426.16904	8.0
427.17816	2.4
428.18423	1.5
437.16641	0.9
438.13205	2.9
439.13654	14.6
440.19049	5.0
441.19345	36.1
442.19821	1.9
451.13306	0.8
452.14438	4.4
453.15320	15.7
454.15979	4.1
457.14758	0.4
463.14252	0.6
465.15622	0.9
466.12186	0.7
467.17191	23.0
468.17874	13.9
469.18884	11.7
471.16782	0.4
472.17545	0.5
479.17407	0.5
480.17355	1.1
481.14774	14.1
482.15329	3.6
485.18073	0.6
495.15985	2.8
496.17172	11.4
497.18271	2.3
498.18982	0.6
499.19876	1.0
509.18298	2.0
512.20654	0.8
514.22614	1.9
523.19781	1.4
524.20184	0.4
527.23248	3.3
528.22913	0.6
540.20502	0.6
542.21521	0.8
555.22443	30.6
556.22699	2.3
568.19659	0.9
583.21930	100.0
584.22229	5.1
586.20984	0.6
587.25159	2.5
611.21399	1.5
614.23547	1.1
615.24542	13.6
616.24774	1.0
643.23969	58.4
644.24170	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	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
53.11738	1.1
55.01880	6.6
55.05517	19.3
55.81972	1.3
57.03445	7.7
57.07073	1.8
65.03922	2.9
67.05511	40.3
69.07076	12.1
71.04992	3.2
71.08648	11.6
73.06567	1.5
79.05499	35.4
80.05825	1.8
81.03432	4.1
81.07062	45.5
83.04996	7.1
83.08634	8.6
85.06553	4.6
88.48519	1.3
91.05482	26.1
91.38068	1.4
93.07056	32.8
95.04986	13.1
95.08611	26.1
96.08961	1.5
97.06559	3.2
97.10175	5.0
99.08091	6.2
103.05487	1.9
105.07043	24.7
107.04968	5.6
107.08597	17.6
109.06534	10.5
109.10168	11.7
111.08086	4.1
113.06007	3.9
115.05486	2.2
117.07013	10.5
119.08599	13.5
121.06503	4.8
121.10144	10.9
123.08093	2.5
123.11695	3.9
125.09656	3.2
129.07042	7.0
131.08572	11.2
132.08073	1.8
133.06525	1.5
133.10155	13.1
135.08063	6.1
135.11697	9.8
136.76164	1.4
137.09627	3.9
137.13321	1.6
143.08572	5.0
145.10115	11.2
146.09656	1.4
147.08084	3.2
147.11742	4.9
149.09602	2.9
149.13283	4.1
151.11221	8.2
156.16476	1.5
157.10153	5.7
159.11723	5.8
161.09695	2.8
161.13205	6.5
163.11174	4.3
164.10742	2.4
165.12816	1.4
169.10204	1.4
171.11681	4.0
173.13358	3.4
175.14865	1.7
177.12752	2.7
179.14342	8.1
183.11743	2.3
185.13338	1.9
187.11176	1.4
187.14841	1.4
189.11220	2.3
189.12711	1.9
190.93636	1.3
193.12308	1.7
195.13921	1.8
199.11084	1.6
209.10782	2.0
217.15849	1.6
223.12376	1.9
227.12715	4.6
233.10641	2.1
235.12428	2.4
237.13972	2.1
245.18976	2.2
247.12199	1.9
253.14351	1.9
255.11162	1.6
259.20609	1.9
260.11874	2.4
261.14059	1.7
263.11823	2.4
273.13821	1.6
273.18561	8.7
274.13376	1.7
275.14999	1.4
275.20013	4.3
276.15033	1.7
277.21652	11.3
288.15048	2.0
289.21536	2.0
291.19589	24.5
293.21161	18.5
297.12485	1.8
300.15131	2.0
302.12869	2.1
312.14944	2.4
314.16534	3.7
316.14560	3.1
318.16074	4.9
326.16513	2.6
328.18115	1.7
332.17682	3.8
333.23801	1.3
335.25836	17.4
336.14828	2.1
337.15961	2.0
338.16364	2.7
349.23645	2.1
351.16098	2.6
352.17770	2.6
353.18011	3.1
354.19565	2.2
362.16394	2.3
364.18036	1.7
365.18451	1.9
365.23264	6.5
366.19244	2.0
367.19629	2.3
376.16986	3.3
377.18246	2.4
378.19510	1.8
379.19412	3.2
380.16568	2.2
381.16608	2.0
381.20767	4.5
391.19556	2.5
392.16870	2.2
392.21399	1.7
393.16840	2.3
393.21265	2.2
395.18500	7.5
406.18140	2.3
407.18576	2.9
408.19626	3.0
409.20123	10.3
410.21417	3.1
421.20447	4.9
423.22067	14.9
424.22495	2.2
428.19620	1.9
433.20190	1.9
435.22186	3.0
436.19254	4.0
437.18893	2.7
437.23761	4.5
443.22333	8.9
447.21301	2.7
449.19077	2.5
451.20724	3.8
451.25302	1.9
452.22491	1.8
453.22888	4.3
454.20645	1.9
461.23486	3.3
465.22919	5.2
466.20844	2.5
467.20688	1.9
469.21713	2.2
469.27048	2.6
479.24139	7.5
480.24661	1.9
481.22452	13.4
482.22897	4.1
483.24216	2.4
493.22787	2.0
494.23248	5.6
495.23608	5.0
495.27948	1.6
496.24841	12.6
497.25735	13.5
503.24054	4.4
508.24286	1.9
509.21295	2.0
511.27463	11.5
512.27966	8.7
513.25195	3.2
521.25720	3.0
522.24194	3.1
523.23535	8.3
524.24512	6.8
527.26740	3.1
530.25885	1.9
539.26770	33.3
545.38434	13.2
555.26111	2.3
556.26978	4.6
557.27374	5.4
567.26093	31.6
569.23718	2.9
571.28387	2.6
581.27325	5.0
582.25635	4.9
583.25702	23.2
584.26868	2.9
591.17474	1.6
597.27081	2.6
599.28687	100.0
600.27802	3.2
601.26471	9.2
607.43079	2.1
611.24982	36.6
625.26447	5.4
625.44678	18.1
643.28113	16.8
643.45508	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	642.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.3
55.01877	18.3
55.05280	2.7
55.05519	39.8
56.05825	2.4
57.03448	13.0
57.07064	4.5
65.03933	4.8
67.05510	68.4
68.05843	3.5
69.03436	11.6
69.06729	3.6
69.07069	43.3
69.58379	14.9
70.07401	2.9
71.04977	7.0
74.04378	2.1
79.05077	4.1
79.05499	62.6
80.05829	6.1
81.03427	71.8
81.06596	3.9
81.07061	74.3
82.07391	6.9
83.04978	13.3
83.08616	24.1
85.06526	4.6
91.05486	60.1
92.05804	5.1
93.07047	44.8
94.07376	6.0
95.04480	2.2
95.04985	30.6
95.08610	31.2
96.08956	4.3
97.02924	10.7
97.06532	15.6
97.10180	19.0
98.06870	2.3
99.08089	4.1
103.05463	2.2
105.07037	51.3
106.07368	5.4
107.04958	15.1
107.08605	36.5
108.08923	5.0
109.06534	11.8
109.10178	22.1
110.10481	5.0
111.04426	4.7
111.08116	11.2
111.14302	2.4
112.65088	2.2
115.05446	6.3
117.07024	21.5
118.07343	2.8
119.04916	2.8
119.07815	3.7
119.08597	45.3
120.08907	5.4
121.06504	7.7
121.10150	16.7
123.08054	8.4
123.11694	5.2
125.09635	15.9
129.07030	15.6
131.08575	26.4
132.08861	3.1
133.06482	7.1
133.10139	26.8
134.10440	3.7
135.08051	7.7
135.11690	10.6
137.05997	2.7
137.09634	5.4
141.06981	3.7
143.08542	9.4
145.10132	20.3
146.10451	5.1
147.08025	8.8
147.11659	17.3
149.09593	8.2
149.13277	4.0
150.10059	2.6
151.11212	3.5
155.08536	2.6
157.08929	2.8
157.10101	15.1
159.08080	2.8
159.11655	11.9
160.12105	3.6
161.09607	2.6
161.13234	5.9
163.11192	6.3
164.11461	2.8
165.12807	3.9
169.10112	4.2
170.10512	2.1
171.11708	3.9
173.13214	5.6
175.11195	8.0
177.12680	4.4
179.14389	3.6
183.11697	4.8
187.11185	2.3
188.15280	2.2
189.11230	5.9
193.12297	16.7
205.12201	3.5
219.13802	3.5
223.13226	16.5
227.12782	10.6
229.14346	3.6
249.14854	6.4
257.19043	5.5
258.19275	3.8
267.15936	98.1
273.18430	12.4
275.20126	23.0
276.20395	18.4
291.19565	100.0
292.19818	4.5
313.21478	2.8
347.22281	2.6
349.23755	8.4
350.24069	8.8
365.19116	2.8
365.23276	40.5
432.53406	2.8
445.25931	3.7
530.35114	2.7
539.33350	3.9
544.37012	5.4
557.34790	79.7
606.41724	3.4
624.43292	11.8
642.44830	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	642.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01870	1.1
55.05514	13.1
57.03442	4.9
57.06801	0.8
57.07081	24.8
67.05507	29.1
69.07071	11.3
71.04996	1.7
71.08640	18.0
71.18201	1.5
79.05499	17.3
81.03410	2.2
81.07059	33.5
83.05003	5.4
83.08629	9.3
83.14811	0.8
85.06548	1.9
85.10191	9.7
85.26266	0.8
89.77574	0.9
91.05489	11.4
93.06478	1.7
93.07047	21.0
95.04965	4.8
95.08000	1.1
95.08613	21.8
97.06553	4.7
97.10162	3.5
99.08079	2.6
105.07044	6.7
107.04992	1.3
107.08608	9.4
109.06517	2.5
109.10172	8.3
111.08066	1.5
115.05511	1.2
117.07042	4.1
119.08604	4.1
120.63557	0.8
121.06496	1.6
121.10135	5.1
123.11700	2.6
129.06918	1.0
131.08569	5.3
133.10120	4.4
135.08049	1.3
135.11708	4.2
137.09636	1.2
137.13240	1.1
139.11136	1.7
145.10129	1.2
147.11722	2.1
149.13258	6.8
151.11182	3.8
157.10265	1.0
159.11723	4.9
161.13271	2.1
163.11166	2.8
165.12767	1.0
175.14873	1.2
177.12720	2.3
179.14369	1.0
195.13780	4.6
227.12715	1.4
239.23781	4.2
251.16486	2.9
259.20566	1.9
269.17496	10.3
277.21585	7.2
301.00958	0.9
311.57849	0.9
313.27380	27.7
351.16269	0.9
351.25342	8.8
381.52051	0.9
507.40503	100.0
508.40671	3.2
526.15497	1.0
589.47980	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	641.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.7
53.03962	7.8
53.09897	1.4
55.01877	20.7
55.05516	40.8
57.03450	11.6
57.07066	4.8
65.03937	6.8
67.05508	83.2
69.03421	5.1
69.07072	40.6
69.18410	13.6
69.18816	2.3
71.04999	7.5
71.08659	2.4
77.03901	2.5
79.05499	78.3
80.05844	2.4
81.03436	10.7
81.07063	100.0
82.07395	2.1
83.04982	14.9
83.08622	19.4
85.02950	1.4
85.06528	3.8
88.07629	3.7
91.05488	75.5
93.07046	70.1
95.01330	2.0
95.04974	17.1
95.08617	51.3
97.06537	23.1
97.10175	9.7
99.08076	3.5
101.05984	2.2
103.05466	3.1
105.04556	2.2
105.07038	73.3
107.04955	14.0
107.08607	47.9
109.02819	1.7
109.06540	11.7
109.10161	26.0
111.04458	1.5
111.08101	6.3
113.09640	3.4
115.05475	3.0
116.06201	2.8
117.07023	30.7
119.08594	53.9
121.06512	5.8
121.10159	24.3
123.08096	9.5
123.11695	6.3
125.09639	6.3
128.06233	4.2
129.07016	15.7
130.07846	4.3
131.07596	2.5
131.08586	36.4
132.09332	1.4
133.06508	3.8
133.10135	42.6
135.08089	10.9
135.11696	13.8
137.09630	8.4
139.11137	1.6
141.06979	6.2
142.07742	3.3
143.08577	14.4
145.06508	4.2
145.09062	2.7
145.10144	40.9
147.08054	6.6
147.11702	25.3
149.09637	20.8
149.13263	6.6
151.11176	3.7
154.07813	1.7
155.08586	7.2
157.06520	1.6
157.10129	16.0
159.08066	2.9
159.11696	22.9
161.09654	5.7
161.13268	11.0
163.11165	12.6
163.14827	2.3
165.12744	3.1
167.08524	2.6
168.09425	1.9
169.10133	9.9
171.11678	14.4
173.09647	3.4
173.13287	11.0
175.11092	3.5
175.14850	3.3
177.12823	5.3
179.14310	4.2
181.10103	2.9
183.11732	8.2
184.12573	1.5
185.13248	7.0
187.11171	4.1
187.14841	4.3
189.11154	2.3
189.12810	2.7
191.14328	1.9
193.12192	1.9
195.11696	6.1
197.13280	6.5
199.14853	5.1
201.12805	2.8
207.11736	2.1
209.13286	3.6
211.14757	4.4
215.14392	2.1
219.06401	1.7
221.13324	2.3
225.16315	2.3
227.12794	5.5
229.19525	3.9
231.17413	2.5
233.15463	3.7
239.17972	5.7
241.15845	2.1
241.19489	2.1
245.18939	2.0
247.20552	4.6
251.17976	1.9
253.14384	2.2
257.19028	21.7
257.26721	1.5
259.20496	4.6
263.20187	2.3
267.15854	4.4
269.17532	2.1
272.11533	1.6
273.18530	3.8
275.20093	73.3
283.20618	2.0
291.19504	6.2
292.20010	2.8
293.21103	7.7
319.61087	1.6
331.22757	5.3
333.24390	1.8
347.21979	2.7
349.23770	32.0
365.23306	2.8
367.24850	3.0
377.28067	1.7
411.10477	1.7
412.59799	1.6
451.32700	1.6
458.76373	1.7
469.33115	1.7
511.34109	1.8
513.36835	2.2
525.35333	2.3
529.35352	2.5
531.38165	2.7
537.56573	2.0
543.36841	13.1
595.44019	4.0
605.41901	5.7
623.43237	25.5
641.34869	7.5
641.44177	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98850	2.5
53.03945	10.4
55.01881	15.5
55.05511	44.1
55.96238	2.3
57.03441	13.1
57.07072	5.0
65.03938	9.2
67.05507	94.4
68.99789	2.7
69.03432	5.4
69.07071	37.1
69.93783	11.5
69.94160	4.8
71.04990	6.3
71.08643	3.0
77.03937	3.5
79.05495	77.9
80.05846	2.3
81.03419	14.1
81.07056	100.0
83.04984	13.2
83.08623	18.8
85.06555	6.9
86.09712	3.0
91.05485	77.0
93.07043	74.7
95.04981	18.8
95.08611	59.7
97.06541	15.2
97.10159	13.6
99.08105	6.5
100.11260	10.7
101.11581	5.2
103.05516	3.9
105.07036	74.1
105.96518	2.4
107.04931	15.6
107.08605	44.5
108.08957	2.8
108.71438	2.4
109.06525	13.7
109.10152	34.3
110.70222	2.6
111.08105	8.1
115.05505	3.3
116.06263	3.0
117.07014	26.4
119.08585	48.5
121.06488	9.7
121.10155	23.8
123.04415	3.5
123.08090	9.7
123.11730	6.7
125.09626	7.6
128.06239	6.8
129.07010	23.4
131.08562	43.2
133.06578	5.3
133.10149	43.5
135.08058	9.6
135.11690	17.2
137.09627	6.1
139.07573	5.6
141.07018	6.1
142.07735	5.1
143.08563	25.1
143.83659	3.0
145.06462	5.6
145.10129	33.8
147.08092	4.7
147.11694	26.4
149.09644	8.1
149.13257	6.9
151.11188	13.9
153.09117	2.3
155.08568	11.6
157.10139	18.1
159.08072	4.2
159.11688	24.6
161.09601	7.5
161.13257	15.6
163.11150	6.3
165.08992	3.2
167.08504	4.5
169.10083	15.0
171.11646	21.8
173.09628	9.5
173.13284	13.4
175.11125	3.8
175.14868	9.8
177.12709	4.4
179.08604	3.7
181.10114	7.7
183.11621	11.8
185.09647	3.1
185.13280	13.9
187.14790	9.1
189.11317	2.7
193.12347	4.5
195.11781	5.7
195.13766	5.2
197.13269	7.3
199.11375	3.2
199.14828	9.6
205.10219	4.1
207.11693	3.5
209.13274	7.0
211.14815	6.8
213.16469	6.7
223.14888	3.7
225.16370	4.8
227.17990	5.4
237.16476	5.2
241.19574	10.8
245.19252	2.8
249.16548	3.8
253.14143	12.6
257.18982	5.6
259.20651	21.8
261.18466	5.6
263.20090	3.7
273.18457	8.7
275.20114	12.7
277.21683	3.1
283.20758	3.1
285.22107	2.6
287.20184	3.7
289.17929	11.4
289.21011	2.8
291.19485	14.9
297.22226	2.6
313.21851	3.8
322.82202	2.6
327.23074	2.7
333.24152	13.5
335.25781	7.1
349.23764	5.2
357.88171	2.5
359.07416	2.5
360.69250	2.7
365.23392	10.7
375.25916	2.6
395.29654	3.0
409.31158	7.1
483.12787	2.9
483.34354	4.2
487.34030	15.2
501.35800	18.9
503.37915	4.0
511.34500	3.8
513.36652	3.7
525.35760	6.3
529.35315	3.7
531.37970	5.2
543.36639	8.5
549.39215	7.1
567.40088	5.2
595.42584	3.6
599.24786	7.3
605.41742	9.0
613.44037	4.5
623.43134	47.3
641.44031	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.5
53.03939	6.7
55.01871	18.8
55.05516	67.6
57.03447	12.2
57.07073	5.7
60.49552	2.0
65.03932	6.6
67.05511	100.0
68.45174	2.4
69.03445	12.7
69.07073	54.9
71.04979	12.2
71.08624	3.9
72.88613	2.2
73.69003	2.2
79.05499	92.1
81.03403	9.3
81.07065	100.0
83.05000	13.6
83.08223	2.6
83.08630	29.5
85.06533	5.7
90.87917	2.1
91.05490	94.1
92.53813	2.1
93.06487	4.2
93.07053	74.2
95.04983	15.5
95.08617	54.4
97.02892	7.1
97.06535	16.3
97.10182	32.2
98.20756	7.2
103.05466	3.9
105.04559	3.9
105.07040	78.1
107.04942	12.9
107.08607	57.6
109.06542	14.1
109.10156	35.2
111.08085	7.0
113.09568	2.6
115.05451	6.5
117.07024	33.6
119.04967	3.9
119.08593	56.4
121.06512	7.4
121.10156	31.2
123.04486	2.4
123.08057	7.3
123.11694	12.0
125.09638	25.8
126.47203	2.2
128.06206	8.3
129.07013	24.9
130.07793	2.9
131.08586	47.7
133.06454	5.9
133.10133	46.4
135.08052	14.4
135.11719	14.8
137.09596	8.7
139.11143	3.4
141.06999	8.6
142.07761	6.3
143.08592	24.2
145.06490	4.2
145.10143	37.5
147.08044	7.4
147.11700	37.1
149.09631	11.7
149.13234	8.7
151.11180	8.5
153.09093	4.5
154.07825	3.0
155.08556	19.3
156.09303	2.9
157.10146	25.8
159.08058	6.4
159.11711	29.0
161.09615	5.9
161.13257	22.4
163.11156	9.6
163.14841	2.6
165.06964	2.6
165.12697	3.2
167.08569	9.9
168.09386	4.3
169.10159	19.2
171.10246	4.6
171.11656	21.8
173.09689	2.6
173.11914	3.3
173.13274	13.5
175.11282	4.6
175.14877	11.3
177.12720	5.5
179.14359	4.3
181.10120	9.7
182.67993	2.2
183.11699	14.8
185.09656	2.3
185.13310	13.9
187.11119	4.3
187.14847	8.4
189.11238	17.1
189.12703	3.6
193.10086	5.2
195.11684	7.0
196.12274	2.6
197.13252	11.1
199.11211	3.4
199.14813	8.5
203.14346	2.8
207.11644	4.1
209.13277	8.4
211.14809	8.1
213.16403	7.2
221.13234	4.1
223.13266	9.0
223.15077	4.7
225.16438	4.3
227.12753	20.1
227.18245	2.4
237.16295	3.5
239.17874	6.6
241.19524	20.2
245.13794	2.7
257.19125	12.7
259.20636	38.6
261.18665	3.3
273.18417	10.3
275.20105	33.6
277.21738	2.6
279.21234	3.1
283.20526	2.8
285.22168	6.8
289.18024	8.1
291.19571	71.3
315.23242	4.2
321.22064	3.1
333.24402	20.3
335.25940	5.0
349.23792	11.7
363.26718	4.1
365.23236	28.0
379.29999	4.5
381.27682	5.6
389.17950	2.8
402.17966	2.5
403.19168	4.0
415.19165	4.4
416.19513	2.6
417.20728	3.8
418.21509	2.8
429.21027	3.3
430.21759	3.0
431.22308	6.8
433.23834	6.9
459.21277	3.0
462.20432	3.5
463.21359	4.4
473.23434	3.1
474.24176	3.4
475.21088	3.1
477.22720	17.3
487.24887	8.3
491.24643	3.5
506.26620	3.6
511.34338	4.8
515.22687	2.6
529.35046	4.8
531.38159	7.4
543.36652	8.0
545.25812	11.6
547.27167	15.4
549.24902	16.4
549.39117	6.8
550.25616	17.7
563.26349	3.0
564.26996	2.9
567.40369	4.0
579.29370	10.6
591.26007	16.7
605.27740	21.3
605.42273	16.7
614.19635	2.6
623.18628	4.4
623.28369	91.4
623.42841	76.1
624.28601	8.9
624.43359	3.5
641.44098	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	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.0
53.03948	9.5
55.01881	17.4
55.05515	38.1
55.37432	1.4
57.03442	9.3
57.07074	3.2
65.03944	5.8
67.05508	83.5
69.03423	5.3
69.06729	2.9
69.07076	38.1
70.06303	5.0
71.04994	6.5
71.08613	1.6
74.44258	1.6
74.81895	1.3
79.05499	79.5
80.05833	1.5
81.03428	12.1
81.07063	100.0
83.04995	10.0
83.08623	19.2
85.06532	5.9
91.05488	79.2
93.07051	67.7
93.07642	3.2
95.04974	13.2
95.08616	50.8
97.06528	20.8
97.10197	10.6
99.08100	3.4
103.05476	3.2
105.04498	4.0
105.07043	71.9
107.04975	14.3
107.08601	39.6
109.06533	14.2
109.10168	22.0
111.04477	1.6
111.08104	7.6
113.09629	2.2
115.05450	8.0
116.06198	1.9
117.07030	35.3
119.08594	56.0
121.06507	7.5
121.09341	1.8
121.10159	25.6
123.08053	10.7
123.11695	9.2
125.09626	6.6
128.06233	3.1
129.07013	14.5
130.07773	2.9
131.08582	40.1
133.06505	4.0
133.10136	42.3
135.08047	10.3
135.11682	15.0
137.09650	6.1
139.11159	1.9
141.07011	5.6
142.07770	3.7
143.08595	15.7
145.06508	2.8
145.10138	34.2
147.08066	4.4
147.11705	28.2
149.09631	19.6
149.13306	8.0
151.11191	5.2
155.08554	10.2
156.09314	3.0
157.10129	14.2
159.08081	2.8
159.11708	24.2
161.09654	3.2
161.13249	8.6
163.11201	11.8
165.09094	2.6
165.12733	3.8
167.08566	3.1
169.10146	11.0
170.10931	1.5
171.07930	1.9
171.11662	11.5
173.09630	3.7
173.13269	12.4
175.11208	4.2
175.14896	2.7
177.12737	6.4
179.14336	3.3
181.10123	4.9
181.12161	1.5
182.10855	2.0
183.11685	10.8
185.13234	7.9
187.11208	2.0
187.14861	4.7
189.11287	2.8
189.12787	3.1
189.16299	1.6
193.12212	2.3
195.11751	3.3
197.13239	4.7
199.11205	2.1
199.14861	3.3
201.16391	2.0
203.14363	2.0
207.11690	2.5
209.13316	2.3
211.14888	3.4
213.12750	3.1
213.16443	2.5
215.17978	2.0
218.51724	1.8
219.13658	1.7
225.16449	2.0
227.12782	6.8
229.19571	4.8
239.17996	5.5
241.19579	1.8
245.18843	1.8
247.20605	3.7
253.14272	1.6
257.19043	19.4
259.20465	3.4
267.15939	5.4
273.18610	6.6
275.20099	76.2
276.20514	2.8
277.21680	2.4
291.19559	7.3
293.16977	1.4
293.21033	6.8
311.19821	1.6
331.22592	4.8
332.93869	1.5
347.22293	2.0
349.23785	28.7
350.73306	1.8
365.23367	2.4
445.29291	3.1
469.32947	1.9
470.01575	1.6
491.84344	1.7
513.36816	2.7
525.35754	2.2
529.35370	3.5
531.38654	2.3
543.36810	12.9
549.38885	3.1
567.40668	2.3
595.44153	2.0
605.41943	4.9
623.43048	23.4
641.28912	3.2
641.44226	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	11.2
55.01872	9.8
55.05518	30.4
57.03430	17.0
59.05006	2.6
63.12429	2.2
65.03938	5.4
66.26124	2.2
67.05511	83.5
69.03432	24.9
69.07065	14.7
71.01347	2.9
71.05000	33.1
73.02924	2.5
79.05497	47.0
81.03426	100.0
81.06596	2.2
81.07061	57.7
82.03771	5.2
83.04987	33.2
83.08618	19.0
84.05308	2.4
85.02922	21.3
85.06554	6.6
86.09709	5.1
91.05486	53.9
92.05868	2.5
93.07051	40.0
95.04977	34.0
95.08618	24.2
97.02896	20.6
97.06531	14.0
97.10181	7.0
99.04455	7.1
103.05463	2.7
105.07040	29.7
107.04984	10.6
107.08614	24.9
108.08893	2.6
109.02901	13.0
109.06531	7.0
109.10175	44.1
109.96507	1.9
111.04460	12.5
111.08115	9.8
117.07022	10.0
117.61930	2.5
119.08591	28.5
121.06528	5.6
121.10152	13.4
123.04434	5.1
123.08060	4.8
123.11692	3.6
125.00020	4.1
125.09618	4.0
127.03885	10.4
129.05472	9.4
129.07018	11.0
131.04932	4.7
131.08575	16.9
133.06502	5.3
133.10150	21.1
135.08070	5.2
135.11708	14.6
137.05966	2.6
137.09665	10.3
143.08594	2.2
145.06471	2.6
145.10159	9.7
147.04396	2.2
147.08078	3.5
147.11714	16.2
149.05988	2.9
149.09651	6.1
149.13263	6.0
151.11247	3.6
153.01810	2.4
155.10612	4.6
157.10144	13.4
159.11729	2.9
161.09688	4.1
163.11259	11.0
165.12794	7.4
167.07043	3.1
169.12280	4.0
171.11700	2.5
172.67334	2.1
173.04495	7.9
173.11784	7.4
175.11180	13.5
177.12825	3.9
179.10692	3.4
181.12228	5.1
183.11710	2.5
184.07315	16.1
187.13266	4.4
189.11278	2.7
189.81258	1.9
193.12300	28.0
195.13837	4.7
207.13843	2.1
211.11359	4.3
211.13306	39.6
217.12206	2.8
227.12856	6.5
229.14484	4.2
243.16002	4.4
249.14951	4.1
249.49722	2.3
255.16072	3.9
267.15918	17.1
269.17484	8.9
285.16943	7.4
301.14334	2.6
307.16006	2.4
325.16232	6.2
377.18890	2.2
387.24973	2.5
421.25827	10.5
439.27020	11.0
447.27502	8.7
453.28488	7.3
461.28735	8.4
463.26932	2.6
465.28412	5.8
479.30124	10.8
488.18121	2.7
497.31046	6.8
543.36700	3.8
609.32611	10.7
623.34039	12.3
641.34088	35.2
641.45959	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2973
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
53.03960	1.8
55.01881	3.6
55.05517	5.6
57.03451	2.4
57.07077	1.0
65.03932	0.9
67.05511	13.7
68.05836	0.7
69.03440	1.4
69.07078	5.7
69.98151	1.7
69.98562	2.0
71.04996	1.8
71.08617	0.9
71.99448	0.6
79.05499	10.7
81.03420	1.6
81.07063	13.9
83.04995	3.1
83.08616	2.8
91.05489	11.4
93.07050	8.2
95.04979	3.4
95.08627	6.2
97.06561	4.6
97.10155	1.3
98.20828	1.4
105.07033	9.0
107.04960	2.2
107.08617	5.1
109.06528	2.6
109.10172	3.3
111.08059	0.8
115.05500	0.7
117.07025	3.9
119.08582	7.0
121.06493	1.3
121.10147	3.5
125.09650	1.7
129.07010	1.7
131.08553	5.3
133.09265	0.9
133.10138	5.4
135.08075	2.3
135.11734	1.4
137.09682	1.5
143.08600	1.8
145.06537	1.3
145.10115	3.9
147.11708	2.7
149.09654	2.3
149.13261	1.2
151.11180	1.0
156.09360	0.7
157.10161	1.0
159.11725	2.9
161.13361	1.4
163.11270	2.2
169.10158	1.2
171.11717	0.9
173.09520	0.9
173.13362	1.4
175.11264	1.0
177.12708	0.8
179.14345	0.9
185.13217	0.9
199.05132	0.9
200.60004	0.7
207.11656	0.9
208.11205	0.9
211.12355	1.7
220.56009	0.8
224.13139	1.5
225.13956	1.4
226.35091	0.8
227.11902	0.9
235.12354	0.8
237.13921	1.6
238.14621	1.0
239.15529	1.3
249.13872	0.7
257.19366	0.8
260.01636	0.8
261.18613	1.0
265.10400	0.8
275.20126	9.1
277.21570	1.0
289.18088	0.8
291.19601	1.1
293.21262	1.5
304.14569	1.4
313.15805	1.6
314.16699	0.9
316.18295	0.8
318.16129	0.9
319.16849	1.2
332.17511	0.8
335.25937	1.3
344.17703	0.8
348.20828	1.0
349.23709	3.7
373.18857	1.1
375.19684	0.9
389.17670	1.4
392.19815	2.2
393.20673	0.9
401.17767	0.9
403.19308	2.7
404.20126	1.3
405.21414	1.4
406.21396	3.7
407.22104	5.7
412.16623	2.1
413.17502	1.2
415.19318	2.2
416.20288	2.5
417.20947	4.6
418.21597	2.5
419.22330	2.0
420.22794	2.4
421.23740	4.0
422.24432	6.5
428.20151	1.3
429.20914	2.7
430.21881	2.2
431.23148	3.6
432.23175	1.5
433.24283	5.5
434.24551	7.4
435.21835	1.8
443.22675	1.7
444.19394	3.4
444.24380	1.1
445.24045	2.7
446.24734	1.2
447.17993	1.1
447.25674	1.3
449.23578	1.6
457.20160	1.2
458.25031	0.9
459.21808	3.2
460.22351	1.7
461.19461	2.0
462.20239	4.1
463.21484	4.4
472.22528	1.6
473.23654	4.0
474.24261	3.3
475.20895	4.6
476.22174	1.2
477.23007	15.3
485.23431	1.5
487.25122	5.8
489.23074	2.3
491.24506	4.3
503.24557	1.0
505.26062	3.4
506.26874	2.8
515.24463	2.2
518.23254	1.2
519.27716	2.4
531.23969	1.2
532.24780	1.4
535.24048	2.5
543.37213	3.6
545.25592	9.4
546.26373	1.4
547.27051	16.2
549.25049	11.2
550.25726	17.1
559.23749	1.1
563.26715	2.9
564.27368	2.9
565.27808	1.3
577.27820	1.8
579.29877	7.6
581.27417	1.0
591.26117	13.1
605.27631	21.3
606.28796	1.0
609.26959	10.4
623.28668	100.0
623.44458	2.8
624.28998	2.7
641.29559	5.7
641.44208	5.2
644.12543	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2972
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.03936	1.4
55.01878	4.0
55.05513	7.5
56.69597	0.4
57.03428	2.4
57.07059	0.6
64.82227	0.5
65.03935	0.8
67.05510	13.7
68.82891	0.5
69.03440	0.9
69.07063	5.8
71.04978	1.3
71.12656	0.8
71.12990	0.9
79.05499	14.8
81.03436	2.7
81.07062	14.6
83.04996	1.5
83.08628	3.0
85.02943	0.5
85.06552	0.8
85.10825	0.5
91.05490	10.9
91.06024	0.9
93.07053	10.1
95.04983	2.9
95.08611	7.7
97.06129	0.4
97.06562	4.9
97.10193	2.5
99.08114	0.7
100.67339	0.5
105.07037	12.7
107.04950	3.8
107.08604	11.0
109.06527	2.4
109.10162	5.1
111.08098	1.4
115.05510	0.6
117.07031	4.4
119.08611	8.8
121.06516	1.2
121.10158	3.5
123.08089	1.1
123.11706	1.7
125.09655	2.8
129.07039	2.4
131.08569	5.3
133.06483	0.5
133.10141	7.2
135.08058	1.4
135.11717	3.1
137.09604	0.6
143.08586	1.9
145.06573	0.7
145.10126	5.6
147.08141	0.6
147.11697	3.5
149.09604	4.3
149.13292	1.3
151.11201	1.0
155.08551	1.5
157.10178	2.4
159.11696	3.5
159.45847	0.5
161.13266	1.8
163.11203	2.4
165.12791	0.8
169.10165	1.9
171.11705	2.8
173.13286	1.6
175.14833	0.6
177.12831	0.9
179.14368	1.5
181.10167	0.7
183.11685	1.2
185.13272	0.9
189.11298	1.5
189.80574	0.5
193.12445	0.5
195.11722	0.7
197.13240	0.7
209.13307	1.3
213.16428	1.4
215.14615	0.6
221.01430	0.5
222.91225	0.5
227.12825	2.2
229.19675	1.0
239.18027	1.0
247.20555	0.8
257.19083	1.9
262.37933	0.6
267.15958	0.6
275.20090	14.6
277.21747	1.1
291.19440	0.6
292.97171	0.5
293.21136	1.3
311.19522	0.6
331.22882	0.7
349.23770	6.2
351.25543	0.6
365.23605	0.5
377.17545	0.8
379.19351	1.6
391.19403	1.1
392.20233	0.7
393.20813	1.6
405.17062	1.7
405.21436	0.9
406.17670	0.9
407.18002	0.5
407.22565	3.7
416.20386	0.7
418.17664	0.6
419.18149	2.9
420.19257	1.6
421.20264	4.6
422.21362	0.7
423.21915	1.2
433.20407	5.2
434.21439	3.1
435.21890	7.8
436.22610	1.8
447.22348	0.9
448.18570	0.7
449.19604	7.2
462.20499	0.9
463.21069	3.6
464.22318	2.8
477.23145	0.9
479.20697	1.1
481.22385	1.4
493.22684	1.9
494.23181	3.5
495.23941	3.2
507.24057	2.0
521.25745	9.1
529.35486	0.8
539.23401	1.2
543.36865	5.5
549.24805	0.7
549.39130	0.8
553.25024	0.7
563.26422	0.8
567.25964	0.7
581.27655	19.6
613.30133	0.6
623.43079	5.9
641.29706	100.0
641.43665	4.8
642.29535	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	641.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03947	3.0
55.01871	9.6
55.05307	0.8
55.05514	9.3
57.03429	2.9
65.03933	2.1
67.05507	19.1
69.03419	1.3
69.07073	12.9
70.95398	2.0
71.05003	1.5
72.25538	0.7
79.05498	17.9
81.03403	3.0
81.06588	1.8
81.07058	25.7
83.04977	3.3
83.08600	2.7
85.06544	2.3
91.05482	22.7
93.07046	19.1
95.01332	1.7
95.04971	6.0
95.08612	14.3
97.06529	13.8
97.10141	2.4
99.08115	1.3
105.07037	23.3
107.04948	6.5
107.08594	10.2
109.06528	2.9
109.10170	7.1
111.08031	0.8
116.77657	1.0
117.07010	8.2
118.06435	1.0
119.08587	14.3
121.06503	1.7
121.10140	4.7
123.08096	1.3
123.11726	2.2
125.09638	1.6
129.06998	2.7
131.08553	9.9
132.07954	1.1
133.10127	12.6
135.08040	2.7
135.11703	3.4
136.07648	1.0
137.09607	1.6
141.06941	0.9
143.08572	4.1
144.07999	1.0
145.06488	1.1
145.10139	9.6
147.11667	8.0
149.09608	6.5
149.13258	1.9
151.11133	1.1
157.10170	2.9
159.11711	6.3
161.09554	1.1
161.13274	2.7
163.11238	3.3
165.09113	1.1
169.10130	2.1
171.07996	1.0
171.11716	2.7
173.13281	2.3
175.11226	1.7
175.14784	1.2
179.14326	4.3
183.11589	1.9
185.10793	1.3
185.13181	1.5
187.14812	0.9
188.03484	1.0
196.10004	1.2
197.10783	1.3
197.13327	1.0
209.10703	1.4
210.11378	1.4
211.12384	2.5
211.14865	1.0
221.10851	1.1
223.12288	2.3
224.12993	1.8
225.13893	3.1
227.11726	1.6
237.13823	3.0
238.14667	2.7
239.11771	1.6
239.15350	2.1
239.17850	1.7
240.90593	1.0
247.20610	2.2
249.13875	1.2
257.19028	3.5
273.18436	1.5
275.20062	29.6
288.15027	1.0
289.17575	1.0
290.16638	2.4
291.19635	1.9
292.17932	1.7
293.21161	1.9
300.14764	1.3
304.14517	1.3
304.18085	2.3
305.18787	2.4
313.15512	3.0
318.16052	1.7
319.16772	2.5
328.14432	1.4
330.16074	1.4
331.17801	1.1
331.22440	1.0
332.17514	2.3
333.18405	1.4
335.25674	1.9
342.15988	1.4
344.17737	1.8
345.18875	1.1
346.19131	1.5
349.23758	10.3
358.19122	1.0
372.49805	1.0
374.18729	1.5
375.19705	1.8
378.18567	1.4
384.16968	3.2
386.37543	1.3
390.21826	1.2
391.18918	1.8
392.19806	3.7
393.20422	3.4
401.17679	1.8
403.19315	2.1
404.19992	1.5
405.20746	2.8
406.21402	5.7
407.22229	7.2
408.22897	2.1
412.16556	4.2
415.19278	1.9
416.19678	1.6
417.21298	1.7
418.21704	1.5
419.22192	3.4
420.22797	3.6
421.23795	6.7
422.24515	13.4
426.18091	1.7
429.20816	2.0
430.22006	1.5
431.22910	1.4
433.16324	1.1
433.24136	2.4
434.17987	1.8
434.24313	8.0
444.19016	5.9
445.24408	1.5
448.19458	1.8
449.23380	1.9
459.21762	1.8
460.22540	1.0
461.19028	1.5
462.20432	3.3
463.21277	12.2
466.23758	1.1
472.22632	1.1
473.23547	2.6
475.21396	5.5
476.20871	3.2
477.23257	5.1
487.24698	2.2
489.22855	1.8
491.24112	3.5
494.19745	0.9
494.26645	2.2
495.27203	3.4
505.25949	1.5
508.22577	2.8
508.45157	1.1
517.22778	1.5
518.23572	1.4
519.20203	1.5
520.20880	1.2
521.24182	1.1
522.26263	1.0
523.26654	1.5
531.23975	1.7
534.22015	1.8
535.23206	1.2
543.36536	2.7
545.25470	10.0
547.20331	1.1
547.27179	10.2
549.25079	18.3
550.25690	5.8
561.21149	2.2
563.26617	8.7
564.26752	1.4
565.27661	1.6
576.23291	1.7
579.29401	3.8
581.27429	2.0
591.26062	54.7
592.26160	3.2
594.24286	1.1
595.28979	1.3
605.27704	7.0
608.25812	1.4
609.27130	19.1
623.28656	100.0
623.42932	5.6
624.28766	3.6
641.29901	13.7
641.44189	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	641.2973
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
51.05187	0.5
53.03939	1.3
55.01873	2.8
55.05518	4.3
57.03432	0.8
65.03947	1.0
67.05509	10.5
69.07075	5.0
71.04978	1.5
71.08633	1.1
71.69488	0.5
79.05495	9.1
81.03427	1.1
81.07062	9.1
83.04967	1.5
83.08615	2.8
85.06519	0.7
91.05492	9.3
93.07048	8.3
95.04973	1.9
95.08623	6.1
97.06541	2.9
97.10179	1.2
99.08092	1.1
105.07037	8.4
107.04959	2.2
107.08611	5.4
109.06547	1.1
109.10175	3.5
111.08065	1.0
117.07022	3.0
119.08583	6.5
121.06492	1.1
121.10158	3.3
123.08064	1.2
123.11674	0.8
125.09647	1.0
127.00510	0.5
129.07021	1.7
131.08601	4.4
133.06514	0.8
133.10141	3.8
135.08090	1.3
135.11739	1.8
137.09583	1.1
143.08600	1.9
145.10164	3.7
147.08110	1.1
147.11708	3.4
149.09616	1.9
149.13263	0.7
151.11256	0.7
155.08568	1.4
157.10156	1.7
159.08099	1.0
159.11728	2.9
161.09641	0.9
161.13251	0.9
163.11180	0.9
165.12741	0.8
169.10185	1.4
171.11726	1.8
173.09752	0.6
173.13338	1.6
175.11116	0.7
177.12715	1.3
181.10030	0.7
183.11705	1.1
184.07350	1.8
185.13310	1.3
187.15080	0.7
189.11229	0.9
197.13312	0.7
223.13242	0.7
227.12827	1.1
229.14105	1.0
235.12445	0.7
242.83522	0.6
257.19125	1.5
259.20694	1.0
273.18558	0.9
275.20120	7.4
277.21579	1.3
289.18109	1.8
289.21106	0.6
291.19632	2.4
298.85565	0.6
307.19141	0.7
333.24268	0.9
335.25745	1.0
349.23883	2.2
363.21683	0.9
365.23047	0.7
378.18542	0.8
387.16043	0.7
389.17673	1.6
391.19336	1.0
392.19693	0.7
401.17648	1.3
402.18143	1.3
403.19263	3.0
404.20230	1.8
405.20731	1.3
406.21948	1.0
407.22266	1.2
408.23340	0.9
412.17133	1.0
415.19263	3.0
416.20169	2.5
417.21033	4.2
418.21539	2.4
420.23538	0.9
421.24011	1.4
428.20383	0.8
429.21042	3.0
430.21707	2.2
431.22958	3.4
432.23553	1.0
433.23972	5.8
434.17554	0.7
434.24976	1.2
435.21866	1.6
443.22461	1.9
444.18198	0.9
444.23328	2.0
445.24976	3.7
447.17505	1.1
447.25476	1.9
448.18997	0.9
449.23538	1.7
456.19678	0.9
458.25491	1.3
459.20944	3.1
460.22534	2.5
461.19727	2.3
462.20355	4.8
463.21222	4.7
472.22696	1.6
473.23618	4.3
474.24213	3.8
475.21338	5.5
476.21921	1.6
477.22910	16.6
485.23419	0.9
487.25146	6.2
488.25586	0.8
489.22989	1.8
490.24014	1.0
491.24527	4.5
503.24591	1.2
504.25958	0.9
505.25998	4.4
506.26801	2.4
515.24530	2.2
519.27734	2.2
523.27081	1.4
532.25214	0.7
535.23846	2.6
536.24066	0.8
543.36932	0.9
545.25500	9.0
546.26257	1.2
547.27142	17.6
547.35645	0.9
549.24982	15.2
550.25702	19.5
559.23676	1.0
563.26324	4.5
564.27362	2.3
577.27924	2.0
579.29724	9.9
591.26001	16.6
605.27673	23.8
605.42419	1.0
606.28583	0.8
609.26508	1.6
609.45245	0.8
623.28680	100.0
623.42700	2.9
624.29010	2.9
641.28644	1.3
641.44452	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1507
Annotation	Quercetin 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
55.01853	0.3
62.69321	0.3
63.02399	0.3
65.03936	0.3
69.03427	0.8
70.06583	0.4
70.86570	0.6
78.04689	0.5
79.05514	0.3
81.03425	0.5
81.07066	0.5
85.02901	0.8
89.03920	7.6
91.05457	0.8
93.07053	0.4
95.04969	0.4
97.02889	0.4
103.05452	0.4
107.08623	0.4
109.02896	0.6
111.00796	0.5
117.03391	19.4
121.02868	0.6
123.04391	0.4
127.03973	0.4
134.03664	1.6
135.04442	1.0
137.02370	2.2
145.02859	51.2
146.03165	0.4
149.02339	0.6
149.05984	6.3
151.03889	0.3
153.01834	3.2
158.06227	0.4
160.10439	0.3
163.03922	1.1
165.01839	1.2
177.05484	100.0
178.05769	0.7
183.02884	0.5
186.05496	0.5
187.20876	0.3
200.53377	0.3
201.05463	1.0
215.85384	0.4
229.05031	2.3
247.05978	0.4
257.04465	1.4
261.07547	0.5
274.04901	0.5
285.04022	0.7
287.05457	0.6
299.05411	0.9
303.05026	54.4
304.05350	0.6
321.09756	1.1
339.10757	6.7
339.14630	0.5
345.05972	0.6
380.06870	0.3
590.97003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
58.03934	0.3
61.02920	0.3
62.01603	0.3
63.02370	0.6
69.03429	2.3
70.06614	0.6
71.51236	0.5
71.62110	0.3
72.08176	0.3
73.60567	0.3
78.04700	0.4
81.03428	4.0
81.07056	0.9
81.07557	0.3
84.08153	0.6
85.02930	1.6
86.09704	0.3
89.03925	8.1
91.05481	0.7
93.07040	0.5
95.04977	0.3
95.08607	0.5
97.02903	0.4
99.04417	0.4
103.05463	0.4
105.03402	0.5
105.07061	0.4
106.04122	0.4
107.04961	0.4
109.02892	1.3
109.10166	0.5
117.03392	22.6
120.08121	0.3
127.03936	1.0
130.88817	0.3
133.10136	0.3
134.03682	1.4
135.04420	1.3
135.11699	0.4
137.02368	0.8
144.53081	0.3
145.02861	51.2
147.04382	0.4
149.05998	6.8
153.01852	5.0
163.03937	0.9
165.01877	0.6
177.05486	100.0
178.05824	1.1
186.05487	0.6
195.06516	1.1
201.05510	0.5
229.04982	0.9
257.04559	0.5
299.05630	0.5
303.05023	18.8
321.09741	6.1
339.10861	2.7
470.18982	0.3
588.86713	0.3
634.44086	0.3
636.93762	0.3
641.25458	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60299	0.5
71.12778	0.8
74.02451	1.1
74.99592	0.4
81.60854	0.5
91.05473	0.9
95.04948	0.6
96.24463	0.5
98.08765	0.6
115.05437	1.3
117.05755	0.6
117.07053	0.8
118.06548	17.1
119.04945	0.5
123.04430	1.9
130.06522	1.4
132.08092	4.9
135.04430	0.5
142.06529	2.1
143.07285	2.7
144.08093	12.9
146.06017	58.3
147.06430	0.5
159.09178	6.5
160.07544	0.8
170.05994	4.2
188.07076	100.0
189.07391	1.5
205.09734	43.5
229.08620	0.6
245.70554	0.5
257.08084	1.1
458.11038	0.5
554.31531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54036	3.4
55.05517	22.5
55.71197	3.4
57.03447	26.1
57.07081	43.3
62.58583	4.0
67.05510	53.3
69.07076	29.9
70.56721	11.0
71.04980	10.0
71.08634	32.9
79.05498	38.8
81.03431	8.6
81.07066	60.2
83.04966	5.1
83.08616	22.6
85.06541	7.1
85.10188	19.9
89.06019	5.0
91.05499	33.1
93.07054	36.6
95.04977	13.5
95.08613	62.7
97.06528	14.1
97.10176	8.6
99.08109	7.3
100.97413	4.1
101.06073	3.9
105.07037	38.5
107.04972	5.9
107.08610	23.4
109.06535	35.4
109.10160	22.5
109.72496	3.6
111.08089	5.8
113.06093	4.3
115.07549	4.6
117.07038	16.7
118.90412	4.2
119.08604	22.5
121.10146	9.5
123.08070	15.8
123.11733	8.7
129.06999	11.6
131.08556	14.8
133.10136	18.6
135.08107	8.2
137.13263	5.8
143.08507	5.8
145.10095	19.9
147.11699	9.3
149.09593	11.7
157.10182	5.9
159.11681	11.9
161.13289	9.4
163.11226	7.2
165.12817	4.8
171.11682	10.6
173.13271	5.9
179.14476	4.2
185.13216	8.7
189.12735	7.7
197.13260	5.0
201.16287	4.2
207.13770	4.3
219.17636	4.1
233.15517	4.0
239.23706	7.3
257.19055	6.1
257.24649	5.1
275.20071	51.8
281.17496	10.0
293.21002	11.8
299.18494	8.1
307.18985	5.3
313.27402	100.0
331.22635	5.9
349.23822	26.1
367.24741	7.0
383.07364	4.3
419.79565	3.7
467.87888	3.7
491.41580	5.2
537.41602	8.5
587.46259	8.0
606.51324	4.4
643.23505	4.3
654.40668	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	640.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60351	1.8
53.03939	6.9
54.71751	1.6
55.01878	3.2
55.05510	23.2
55.95529	1.7
57.03442	17.0
57.07079	53.3
60.62412	1.8
61.05443	1.9
65.03928	3.0
67.05508	69.6
69.03426	3.4
69.07069	29.3
70.64355	5.3
71.04979	5.7
71.08637	41.8
79.05499	42.3
81.03419	4.9
81.07059	70.7
83.04972	8.2
83.08620	25.9
85.06547	4.2
85.10188	21.3
91.05489	37.2
93.07048	46.8
94.79095	1.7
95.04984	10.5
95.08614	49.7
97.06538	10.6
97.10172	11.1
97.96145	1.9
99.08070	2.8
99.11764	2.0
105.07035	31.4
107.04942	4.2
107.08602	27.2
109.06517	2.2
109.10165	19.7
111.08060	3.2
117.07003	14.0
119.08597	19.1
121.06515	2.9
121.10127	15.6
123.08064	3.7
123.11695	7.3
129.07024	3.6
131.08594	13.9
133.10139	19.0
135.08072	3.5
135.11678	13.1
137.09631	3.7
137.13235	3.5
145.10114	10.4
147.08066	2.5
147.11665	9.6
149.09595	8.3
149.13275	12.4
157.10139	3.0
159.11725	11.0
159.12849	1.8
161.13258	2.7
163.11183	8.0
171.11702	3.6
173.13290	3.3
177.12785	2.3
189.12775	1.6
194.07498	1.9
195.13817	5.0
201.42374	1.8
205.15665	1.7
217.15904	2.7
229.19695	1.9
239.17960	3.2
239.23694	7.2
251.16411	2.5
255.15898	17.4
257.19040	6.4
267.15836	3.0
269.17484	18.0
275.20071	28.1
313.27380	77.3
349.23682	20.0
446.16086	2.3
487.47507	1.8
493.38797	21.6
507.40482	100.0
578.92389	2.1
587.46442	8.7
641.24817	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	639.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.2
55.01875	11.5
55.05275	1.8
55.05518	29.2
56.83678	1.6
57.03440	12.2
57.07060	1.8
59.04996	1.6
65.03931	5.4
67.05508	79.7
69.03436	20.7
69.06727	2.5
69.07072	28.4
71.01365	2.8
71.04999	30.4
71.51002	2.0
73.02902	1.4
79.05499	54.4
81.03423	51.4
81.07063	100.0
83.04992	18.7
83.08620	18.1
85.02914	8.4
85.06541	8.2
91.05489	61.5
93.07050	57.8
95.04973	17.7
95.08616	32.2
97.02898	14.7
97.06540	16.5
97.10167	6.7
99.04448	3.6
99.08087	4.6
103.05435	2.2
105.04471	1.6
105.07036	39.7
107.04967	13.9
107.08596	33.8
109.02879	16.2
109.06531	12.9
109.10165	16.5
111.04467	7.2
111.08076	6.1
113.02399	1.6
113.06021	3.7
115.05468	2.6
117.07025	19.4
119.04952	2.3
119.08585	25.8
121.06498	7.0
121.10154	17.8
123.04388	2.8
123.08063	5.1
123.11720	9.4
125.09603	4.7
127.03938	7.4
128.06221	2.5
129.05450	1.8
129.07014	10.6
131.08574	19.4
133.06471	5.0
133.10135	24.4
135.04379	2.1
135.08076	9.1
135.11691	11.9
137.06010	2.7
137.09589	3.5
137.13252	1.8
139.11203	2.1
141.07001	3.8
143.08598	8.7
145.04877	1.3
145.06429	5.8
145.10150	16.6
147.08011	5.4
147.11699	13.4
149.09663	7.6
149.13257	19.6
151.11188	7.3
155.08578	5.1
157.10187	9.0
159.08067	3.1
159.11696	14.6
161.09637	5.8
161.13228	4.2
163.07448	1.5
163.11185	8.2
165.12753	3.4
167.08519	2.5
169.10181	4.2
171.06490	2.8
171.07967	2.5
171.11716	4.6
173.04456	8.7
173.05830	2.6
173.09680	3.3
173.11877	2.5
173.13286	5.0
174.10213	1.5
175.11192	5.6
177.12766	7.2
179.14346	2.9
181.10114	3.1
181.12320	1.5
183.11699	4.1
183.13733	3.7
185.09514	1.8
185.13286	3.4
187.13274	6.7
187.14790	2.1
191.10687	1.8
193.12244	6.6
195.11786	3.3
195.13791	10.2
197.13309	2.8
199.11267	1.7
199.14844	2.5
201.12860	1.7
201.14787	3.4
203.12651	1.8
207.13728	2.2
209.11655	2.5
211.13130	2.3
219.13809	1.9
223.12976	1.7
225.14796	1.7
227.12796	5.2
229.14272	2.0
231.13901	1.6
253.17981	2.1
255.17477	1.8
257.15201	2.0
257.19202	2.5
261.15045	2.1
267.15945	4.3
269.17508	11.8
273.18619	9.4
275.16907	2.4
275.20065	13.0
281.17267	2.3
283.15295	2.2
285.14850	2.4
291.19571	12.4
303.15897	2.9
321.16846	2.9
339.17963	4.4
347.22198	2.9
349.23834	3.6
377.19611	3.1
395.20615	4.9
435.30988	1.8
437.29007	14.0
445.29535	3.9
451.30518	4.3
459.26929	1.9
463.30322	4.1
477.27600	2.1
495.33624	4.0
497.93005	1.8
529.36768	1.8
541.34912	6.1
589.33405	2.3
597.26874	2.1
607.34924	12.5
621.33392	2.6
639.33270	11.3
639.42548	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	640.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
54.67243	0.6
55.01865	2.3
55.05513	26.3
57.03435	4.7
57.07079	14.1
58.86507	0.6
59.04988	0.9
64.68381	0.6
65.03931	1.5
67.05509	22.9
68.09256	0.6
68.54475	0.6
69.03430	3.4
69.07068	9.8
69.15958	6.0
69.16367	1.0
71.04999	1.0
71.08633	10.3
74.33771	0.5
79.05499	21.5
81.07057	17.5
83.04981	2.5
83.08152	1.0
83.08625	16.7
85.06516	1.1
85.10178	4.5
87.04478	0.8
91.05490	9.0
93.06491	0.8
93.07056	9.4
95.04955	0.9
95.08606	10.3
97.10175	32.9
99.08036	0.7
105.04530	0.7
105.07043	10.4
107.04932	1.8
107.08598	31.7
109.06510	1.1
109.10168	9.4
111.08080	1.6
117.07025	4.0
119.08587	4.8
121.10145	2.6
123.11701	1.8
125.09641	31.4
129.06949	0.9
131.08589	2.8
133.10118	5.3
135.08078	3.8
135.11713	1.4
143.10641	0.9
145.10141	7.0
147.08118	0.6
147.11673	4.2
149.09605	2.0
153.09108	2.2
157.10126	1.1
159.11671	2.4
161.13321	1.2
169.10168	1.2
171.10176	2.8
171.11615	1.2
176.83273	0.6
183.11772	0.9
189.11221	16.9
219.14104	0.7
227.12793	100.0
239.18021	1.2
239.23709	0.8
257.18927	5.1
275.20087	19.9
286.70917	0.7
293.21130	1.1
313.27380	29.2
331.22699	3.6
349.23755	17.8
470.12103	0.6
483.36810	9.7
500.27902	0.8
502.10800	0.7
512.05188	0.7
529.38525	0.8
587.46753	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	639.374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.4
53.03949	10.1
53.96689	1.6
55.01875	6.4
55.05516	21.1
57.03441	11.8
57.07080	3.1
59.04994	1.7
65.03943	4.8
67.05507	81.5
69.03433	18.5
69.07076	22.9
70.43826	1.2
70.80846	1.2
71.01364	1.3
71.05002	27.8
71.51905	1.7
73.02904	3.2
77.03941	1.7
79.05497	58.9
81.02921	2.3
81.03420	52.2
81.07059	100.0
83.04986	17.4
83.08622	15.9
85.02906	11.0
85.06551	7.1
91.05487	57.0
91.52290	1.5
93.06480	2.8
93.07050	46.6
95.01373	1.9
95.04970	17.3
95.08050	2.7
95.08607	27.9
97.02892	13.8
97.06542	15.5
97.10171	6.1
99.04473	4.7
99.08123	3.5
103.05526	1.5
105.04498	1.7
105.07040	36.2
107.04974	10.8
107.08597	31.9
109.02885	14.6
109.06506	8.6
109.10160	16.3
111.04446	8.8
111.08083	7.7
113.06002	2.5
115.05472	1.8
117.07021	18.8
119.08586	17.3
121.06503	5.2
121.10144	15.0
123.08105	3.6
123.11713	9.0
125.06022	2.2
125.09647	4.5
127.03905	11.0
128.06290	1.6
129.07013	9.8
130.07796	1.6
131.08582	18.1
133.06487	4.7
133.10135	22.7
135.08083	5.3
135.11700	9.6
137.06024	1.8
139.11180	1.6
141.07027	3.0
143.08578	4.3
145.06461	3.2
145.10130	11.6
147.04352	1.5
147.08081	3.2
147.11691	11.8
149.05928	1.7
149.09634	5.2
149.13255	17.1
151.11209	4.9
153.12776	2.2
155.08623	3.0
157.10149	7.0
159.08095	1.7
159.11702	15.2
161.09659	2.4
161.13292	3.7
163.11223	5.5
165.12752	3.6
169.10155	2.8
169.12231	1.8
171.11693	3.3
173.04514	6.8
173.09677	2.7
173.13217	2.9
175.11227	5.5
177.12778	8.6
179.14352	3.2
181.12321	3.0
183.11737	2.5
183.13792	2.9
185.09566	1.7
185.13239	2.1
186.32726	1.6
187.11586	1.9
187.13313	8.5
191.10725	1.7
193.12250	6.9
195.13811	10.3
197.13266	2.6
199.14922	1.8
201.12753	1.6
201.14792	1.9
203.14348	1.4
209.11661	2.3
211.13268	2.5
221.15451	1.7
225.14810	1.8
227.12808	5.3
229.14282	2.8
243.15976	2.0
247.21118	1.6
257.19302	1.7
267.15848	3.2
269.17471	9.5
273.18542	6.6
275.17075	2.1
275.20062	10.0
276.92535	1.5
283.15622	1.7
291.19553	6.6
297.16913	1.6
303.16058	3.0
321.16867	3.3
339.18063	3.3
347.22272	1.7
349.23608	2.0
377.19632	2.7
379.21033	1.7
395.20605	4.1
411.19803	1.7
427.23349	1.7
437.28970	16.6
451.30386	5.1
453.32285	1.5
463.30484	3.4
477.28226	2.1
495.33057	5.0
541.35175	3.2
545.31042	1.6
589.33185	2.2
607.34552	11.3
639.35297	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08463	1.5
53.03948	7.5
55.01863	4.2
55.05516	18.8
57.03444	9.8
59.05008	2.5
61.20953	1.6
65.03928	3.1
67.05509	20.9
69.03430	12.6
69.07062	6.0
69.38052	8.8
69.38451	3.4
71.04984	5.3
72.25721	1.5
75.27463	2.0
79.05070	2.0
79.05496	25.2
81.03420	100.0
81.07058	29.3
83.04987	21.9
83.08629	21.7
85.02449	1.5
85.02914	21.8
91.05486	29.0
93.07050	17.7
95.04974	24.8
95.08610	7.8
97.02901	14.3
97.06519	4.9
97.10184	7.6
99.04445	4.6
103.05484	1.8
105.04498	1.8
105.07039	25.5
107.04942	8.2
107.08569	10.2
107.87841	1.3
109.02885	17.5
109.06512	4.1
109.10177	2.2
111.04444	14.1
111.08079	6.9
113.06007	2.3
115.05429	2.4
117.07007	4.3
119.08585	18.6
121.06511	4.7
121.10130	9.7
123.08110	2.7
123.11714	2.1
125.09585	4.0
127.03945	9.5
128.06239	2.1
129.07027	12.8
131.08566	12.0
133.06493	3.2
133.10135	7.1
135.11661	4.3
139.03801	1.7
142.07765	2.4
145.06444	2.1
145.10133	4.8
147.08029	5.1
147.11697	19.2
149.05992	1.7
149.09618	5.6
153.12746	3.3
154.54176	1.8
157.10147	14.6
163.11142	4.4
165.12766	4.2
171.11499	1.7
173.04463	3.2
175.11176	14.3
181.12189	2.3
191.10690	3.8
193.12271	44.3
211.13298	64.5
227.12741	4.9
229.14360	2.0
235.13354	2.2
249.14868	3.9
267.15952	18.3
277.14529	2.5
283.15515	3.1
285.16992	12.7
301.14349	5.6
310.15179	1.9
319.15714	2.0
337.16394	2.5
355.17419	8.3
375.17981	2.3
385.23578	3.4
393.19202	3.1
411.20050	5.8
429.21136	3.0
459.27490	7.8
477.28568	12.1
495.29654	15.3
573.29742	1.8
585.30560	1.9
621.32831	10.5
639.33728	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	639.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36984	1.5
53.03951	12.0
55.01868	5.9
55.05514	26.0
57.03432	10.1
57.07079	3.6
57.83718	1.6
64.42422	1.6
65.03940	5.8
66.48094	1.5
67.05508	84.1
68.05876	1.5
69.03434	24.4
69.07074	22.7
71.01344	3.3
71.04999	32.1
79.05499	57.0
81.03423	63.6
81.07061	100.0
83.04985	16.9
83.08624	16.6
85.02911	10.0
85.06551	8.2
87.04487	2.2
91.05482	55.9
93.07050	55.9
95.04974	18.4
95.08608	24.0
97.02910	15.2
97.06532	14.5
97.10168	6.7
99.04454	8.0
99.08072	4.0
101.02396	1.9
103.03880	1.8
103.05440	1.9
105.06384	3.0
105.07034	28.1
107.04956	8.3
107.08602	34.2
109.02892	16.5
109.06521	7.3
109.10162	17.7
111.04459	12.0
111.08078	6.5
113.06002	1.6
115.05416	3.0
117.07024	12.2
119.08574	14.0
121.06522	5.5
121.10161	17.2
123.04449	2.5
123.08057	3.0
123.11714	8.5
125.09643	5.9
127.03916	11.7
129.05493	4.0
129.07016	7.1
131.08585	18.9
133.06523	3.0
133.10120	22.1
135.08038	4.6
135.11684	12.8
137.06038	2.1
137.09682	1.8
139.03908	1.7
139.11212	2.8
141.06943	2.5
143.08566	4.2
145.10161	8.9
146.42342	1.7
147.08022	3.9
147.11707	6.4
149.09651	3.5
149.13277	22.1
151.11191	7.2
153.12706	2.1
157.10118	3.8
159.11725	18.7
161.09608	2.0
161.13292	1.5
163.11214	6.7
165.12775	3.3
171.06573	2.7
171.11670	3.0
173.04501	15.2
173.05904	2.8
173.09691	3.1
175.11139	2.1
177.12724	9.0
183.06476	2.1
183.13814	3.7
187.13315	8.8
191.10674	2.7
193.12263	4.5
195.13817	16.7
201.14816	4.0
206.23991	1.6
209.11726	5.9
211.13440	2.7
213.14832	2.9
227.12785	6.9
267.15967	5.0
269.17465	14.9
275.20007	1.9
278.80884	1.7
283.15442	3.0
283.18958	2.9
297.17136	2.0
303.15961	2.7
321.16901	4.3
331.22717	1.8
339.17917	9.6
353.15952	2.2
377.19543	2.7
393.19400	1.8
395.20700	5.8
421.29865	2.7
423.27304	5.2
437.29092	20.0
451.30283	6.0
459.27246	2.6
463.30444	5.0
477.28720	4.9
495.32910	6.5
529.08331	1.6
563.31927	2.2
607.34845	11.2
621.32813	3.6
639.36578	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
54.63558	11.5
55.05517	12.8
55.82967	10.3
66.31996	10.8
67.05505	24.9
79.05518	14.1
81.07095	21.2
81.27464	12.2
83.46741	11.5
89.06036	21.1
93.07053	11.6
95.08630	17.1
98.21530	27.9
107.14288	11.4
142.42273	15.1
170.85815	13.5
187.86430	12.7
265.70273	13.9
287.20334	14.0
459.21423	26.3
547.26337	45.2
579.25500	13.4
606.28369	71.7
607.26257	48.6
611.28796	12.6
639.28149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.8
55.01873	4.8
55.05268	1.3
55.05514	17.5
57.03437	9.2
57.07074	0.9
57.83913	0.9
59.04991	1.5
62.24739	0.8
65.03938	1.8
67.05511	25.8
69.03432	13.8
69.07066	7.5
69.42507	5.6
71.04990	6.2
73.02917	1.0
79.05499	30.2
81.03423	100.0
81.07057	28.9
83.04981	20.4
83.08151	1.7
83.08626	22.7
85.02907	21.3
85.06540	2.3
91.05486	32.6
93.07047	18.8
95.04979	27.0
95.08620	11.7
97.02902	14.5
97.06523	6.0
97.10178	6.5
99.04472	5.4
99.08083	1.3
103.05448	1.0
105.07037	25.0
107.04972	9.5
107.08610	9.0
109.02887	15.8
109.06564	5.5
109.10188	3.9
111.04449	13.7
111.08094	9.9
113.05966	1.8
115.05489	2.5
116.06225	1.1
117.07036	4.6
119.04947	1.1
119.08589	19.6
121.06510	4.9
121.10140	10.0
123.04446	2.0
123.08090	3.5
123.11718	3.7
125.09646	2.2
127.03905	8.9
127.07578	0.8
129.05515	1.8
129.07016	12.0
131.04887	0.9
131.08580	11.2
132.08914	0.9
133.06503	3.7
133.10136	12.2
135.08113	2.5
135.11711	3.8
137.09610	2.3
142.07806	2.8
143.08566	1.9
145.06458	1.3
145.10168	3.7
147.04355	1.2
147.08066	4.7
147.11696	18.6
149.05962	1.9
149.09593	5.1
153.09114	1.1
153.12778	3.3
155.08513	1.2
157.10129	13.8
161.06001	1.3
163.11169	5.4
165.12785	6.3
171.08057	1.5
171.11694	1.0
173.04457	2.5
173.05911	0.9
173.09691	2.1
175.11189	12.6
181.10228	0.8
181.12239	4.7
189.11237	2.1
189.12834	0.9
191.10710	3.4
193.12256	47.9
209.11792	2.1
211.13303	71.0
218.90419	1.0
227.12721	5.7
229.14429	2.1
231.13931	1.1
235.13371	2.6
249.14867	2.2
267.15918	21.9
270.22281	0.9
271.05984	1.4
273.14969	2.8
277.14316	1.2
283.15552	2.4
285.16980	12.3
291.16141	1.2
301.14264	5.2
313.16379	1.0
319.15582	2.6
337.16495	4.8
355.17450	7.2
367.22849	1.8
375.18240	1.6
385.23773	3.5
393.19244	2.9
403.24783	1.2
411.20328	5.8
429.21240	4.0
459.27441	7.5
477.28510	11.2
484.83224	1.1
495.29669	15.2
511.65665	1.0
519.29388	1.6
565.30151	1.0
567.29303	1.0
585.30713	2.8
603.31818	2.6
621.32806	10.0
639.33777	47.0
640.34265	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	639.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.8
56.55285	1.5
57.07064	3.7
59.04993	3.7
67.05494	6.4
69.07076	3.8
69.82253	4.6
69.82667	3.6
71.08644	2.0
79.05494	4.6
81.03426	2.8
81.07047	4.3
91.05470	2.7
93.07034	3.1
95.08611	3.8
97.10143	1.7
98.39474	1.6
105.06998	1.7
107.08605	1.5
109.10145	4.0
122.05946	1.7
133.10136	2.2
141.07054	1.5
156.44875	1.6
174.98619	1.7
282.96082	1.6
361.14594	1.8
375.16257	5.2
376.16791	3.9
377.17657	9.5
388.17651	3.8
389.17923	5.8
390.18411	9.1
391.19141	30.2
392.19897	7.9
393.21851	2.8
403.19525	5.4
404.19687	9.6
405.20963	29.0
406.21515	17.2
407.22125	5.8
416.20151	2.1
417.16461	2.2
417.21204	4.0
418.17282	2.5
419.17529	2.9
419.22943	11.6
420.23187	19.5
421.24036	15.5
424.22495	3.4
430.17950	3.7
431.18338	3.4
431.23343	2.6
432.19254	2.4
433.19485	5.0
433.23871	9.6
434.19943	3.6
434.24811	7.9
435.21750	5.4
438.20526	3.3
444.19556	2.2
445.19888	8.8
446.21057	3.1
447.21835	7.1
448.22794	16.6
449.23767	21.1
451.20779	2.0
452.22107	21.8
459.21814	12.2
460.22653	21.3
461.18707	2.7
461.24069	3.6
462.20456	26.5
463.21057	5.6
465.22995	10.7
467.37152	1.8
475.21091	22.3
476.22083	13.4
477.22922	42.4
479.24243	3.1
487.21103	2.9
489.23032	3.8
491.24963	2.6
492.25845	12.1
493.26385	4.6
503.24509	10.0
505.22113	2.2
507.27371	5.9
518.22961	3.2
519.23621	2.0
521.21051	16.0
533.25049	2.0
535.26324	9.5
536.24249	63.4
537.25140	10.0
547.26782	3.0
549.24664	4.4
551.26678	1.8
552.27136	14.4
561.24829	6.9
562.25891	2.6
563.26501	6.5
579.29883	13.3
593.27704	2.5
606.29254	1.9
607.28680	2.6
621.27008	7.1
622.27856	100.0
623.27789	3.3
639.31732	96.8
640.30322	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	639.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.6
54.09846	1.0
55.01880	7.0
55.05310	0.8
55.05519	10.6
56.56146	0.9
57.03442	3.7
57.07063	1.5
60.16750	1.0
65.03942	2.7
67.05180	1.9
67.05510	26.7
69.03431	2.8
69.07072	9.9
71.08625	1.7
79.05499	22.6
81.03432	7.2
81.07061	29.5
83.04980	5.3
83.08621	4.9
85.02917	1.3
85.06523	1.4
91.05487	28.5
93.07047	18.8
95.01301	1.2
95.04989	6.0
95.08608	13.5
97.06531	8.6
97.10159	3.5
99.08096	1.6
103.05491	1.7
104.42079	1.2
105.07041	21.2
107.04954	6.0
107.08595	12.1
109.02878	1.1
109.06528	4.2
109.10152	6.9
111.04445	1.8
111.08119	2.2
115.05465	1.5
115.77805	1.3
117.07026	7.7
119.08602	16.5
121.06541	5.3
121.10146	5.9
123.04443	1.1
123.08033	2.7
123.11699	1.7
125.09632	3.1
128.06236	1.4
129.07033	3.3
131.08574	11.3
133.06491	2.2
133.10143	15.3
135.08076	4.4
135.11700	4.3
141.06973	2.1
143.08557	3.4
144.08144	1.4
145.06482	2.3
145.10143	9.5
147.08060	2.4
147.11653	5.2
149.09639	4.9
149.13252	2.0
151.11165	3.4
155.08546	1.6
157.10179	3.8
158.76808	1.0
159.08133	1.9
159.11728	6.5
161.09621	2.6
161.13272	2.0
162.67659	1.0
163.11195	4.5
165.09120	1.3
169.10199	1.7
171.11740	3.0
173.13260	2.5
175.11180	2.1
179.14407	2.5
185.13257	1.4
189.12781	1.9
195.14020	1.3
197.13339	1.7
222.11528	1.3
223.12395	2.3
227.12677	1.3
229.27206	1.2
237.13965	2.1
238.14691	4.5
245.19116	1.3
247.20581	1.3
253.14221	1.2
257.19073	3.2
271.17059	1.2
273.18552	8.2
275.20081	15.7
291.19540	8.0
293.21280	1.3
340.24722	1.1
347.22287	3.1
349.23950	2.7
389.17624	2.1
391.19214	3.4
403.19016	3.1
403.56055	1.0
404.20276	1.7
405.20831	3.4
417.21036	2.5
418.16977	1.5
419.18497	3.4
419.23129	2.1
420.19449	1.6
421.20145	5.5
422.21133	1.7
431.18558	3.3
433.20282	9.4
434.20859	3.4
435.22488	5.6
436.22610	1.9
443.19196	1.5
445.20184	2.7
446.20950	1.9
447.21841	2.6
449.19641	8.7
450.20401	1.8
458.21146	1.5
459.17935	1.9
460.22684	2.4
461.24014	2.3
463.21152	4.8
464.22028	4.2
465.22781	3.4
473.23932	16.6
475.25549	1.5
479.25330	5.4
486.20663	2.3
487.21713	1.4
488.22144	3.9
489.22797	3.6
492.21353	4.5
493.21991	5.8
500.18372	1.5
501.23038	7.4
503.24207	4.3
505.22418	2.7
507.23892	21.8
519.23615	3.4
520.24615	1.6
521.25635	7.1
529.22736	1.7
531.23932	6.9
533.21637	1.6
537.22760	1.4
547.23218	4.0
548.24255	4.0
551.26288	2.0
557.21985	2.4
561.24652	2.7
564.23785	2.0
565.24518	2.7
575.22894	31.0
579.26086	24.6
580.26318	2.7
581.27435	1.6
589.23938	2.2
597.27002	6.4
607.25568	92.7
608.25500	3.8
621.26672	4.3
621.41211	4.2
639.27899	100.0
639.41638	17.6
640.28864	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	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
67.05506	0.7
78.22918	0.5
81.07092	0.9
95.08618	0.6
145.10089	0.5
221.10760	0.9
230.64584	0.6
239.15335	0.5
314.16907	0.6
326.16635	0.8
363.15851	0.6
376.16821	0.7
377.17615	2.3
378.18991	1.2
384.71243	0.5
388.18137	0.7
389.18155	1.7
390.18341	1.4
391.19189	6.6
392.20074	3.9
393.20966	1.8
403.19470	2.2
404.20172	2.1
405.15735	1.0
405.20798	11.5
406.21597	5.3
407.22330	16.6
407.27438	1.0
408.23132	1.2
417.21011	1.5
418.21832	1.1
419.22498	5.3
420.23077	5.0
421.17441	0.8
421.23822	16.9
422.17569	1.5
422.24603	3.6
431.17871	0.7
431.22781	1.0
433.24399	4.4
434.24747	2.1
435.18390	2.6
435.25519	1.4
436.19073	2.5
437.19952	0.6
445.20309	2.1
447.21143	1.1
447.26212	1.4
448.26706	1.0
449.19824	2.1
449.27551	0.7
450.20538	1.9
451.21271	16.3
452.22122	4.0
459.21567	0.8
460.23022	0.8
461.23495	2.0
463.21335	1.9
464.22134	1.6
465.22900	19.8
466.23553	2.1
473.19836	2.1
474.20242	0.9
475.20917	1.4
475.26297	1.1
476.22357	0.8
477.22577	1.0
478.23770	2.1
479.24420	1.6
486.20880	0.8
487.21436	3.6
488.22205	1.7
491.21088	1.8
492.21271	1.8
493.26147	2.0
501.23022	2.5
502.23865	1.2
503.24457	14.5
504.25076	1.3
507.20367	1.0
507.27618	12.1
508.28479	3.9
518.23456	0.6
519.24146	0.7
523.23230	3.3
533.25531	1.8
535.27069	19.4
536.27728	2.2
537.25012	10.4
551.26611	5.5
552.27374	20.8
561.24951	4.8
562.25372	1.4
579.25970	10.9
580.26501	3.5
593.27515	1.2
595.29144	6.4
621.27100	20.1
622.27649	1.2
639.28143	100.0
640.28748	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	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03936	1.3
55.01878	2.1
55.05510	4.2
57.03428	1.2
65.03945	0.9
67.05508	8.7
69.03431	1.0
69.07067	4.6
69.57185	0.8
69.57599	1.3
79.05064	0.6
79.05496	6.9
81.03432	1.9
81.07061	7.2
83.04972	1.4
83.08621	1.5
85.02902	0.8
85.06524	0.4
91.05480	7.6
93.07041	5.7
95.01344	0.5
95.04961	2.1
95.08602	4.2
96.78831	0.3
97.02894	1.0
97.06539	1.8
97.10165	1.3
98.20759	0.6
105.07039	6.5
107.04972	2.5
107.08598	3.8
109.02886	0.5
109.06539	1.2
109.10159	2.6
110.04531	0.3
111.04437	0.4
111.08054	0.6
115.05457	0.5
117.07012	2.6
119.08573	4.8
121.06525	0.9
121.10143	1.7
123.08080	0.6
125.09630	1.5
127.03893	0.7
128.06239	0.8
129.07016	1.5
131.08583	3.5
133.06514	0.6
133.10135	3.3
135.08063	1.3
135.11702	1.4
137.09602	0.6
141.06993	0.5
142.07800	0.4
143.08572	1.4
145.06494	0.6
145.10127	1.9
147.08055	1.0
147.11708	1.7
149.09622	1.4
149.13251	0.7
151.11171	0.4
153.09181	0.4
155.08585	1.0
157.10115	1.6
159.11732	1.5
161.09644	0.7
161.13298	1.0
163.11229	1.2
165.12802	0.4
169.10146	0.5
171.11729	1.0
173.13286	1.0
177.12727	0.4
179.08621	0.3
179.14357	0.9
183.11746	0.7
185.13297	0.6
187.11179	0.5
187.14857	0.4
189.11244	0.6
195.11748	0.5
195.13611	0.4
197.13277	0.7
205.12143	0.5
211.14877	0.5
223.13286	0.7
225.10265	0.5
227.12839	0.6
227.18022	0.5
251.11827	0.5
255.17462	0.3
257.18964	1.6
273.18503	2.7
275.20062	3.8
291.19550	6.2
311.14026	0.4
314.12964	0.4
316.14224	0.4
331.22687	0.5
342.12183	0.3
347.22260	0.6
349.23825	0.4
365.23346	0.7
391.15161	0.5
392.16180	0.4
393.16788	0.8
393.21210	0.7
400.16629	0.4
405.17050	1.0
405.21683	0.5
406.18060	1.3
407.18732	2.2
415.18655	0.4
417.17010	0.7
419.18686	1.3
420.15439	0.8
420.20132	0.6
421.20477	5.1
422.21106	1.6
423.21875	0.6
432.19385	0.6
433.21262	1.7
434.17612	1.6
435.17242	2.6
435.22968	0.7
436.23126	1.8
445.16006	0.6
447.17361	0.8
447.22107	1.3
448.18555	2.2
449.19565	9.1
450.20514	3.9
459.18100	1.2
460.18872	0.6
461.20221	1.6
462.20453	1.0
463.21738	5.1
464.22192	6.3
465.22992	0.8
473.19711	0.7
474.20569	1.0
475.21500	2.0
476.22064	0.4
477.18832	5.8
478.19571	2.2
479.20935	1.0
491.20786	1.3
492.21457	1.0
493.22354	1.3
495.24191	0.8
505.22925	0.8
507.24155	0.8
509.20972	0.4
519.20526	0.5
521.21967	1.4
523.23053	3.0
533.21448	1.0
535.23773	3.2
536.24420	1.2
537.21954	1.1
547.23584	0.7
549.22223	0.4
550.25525	1.0
551.26654	2.5
561.24750	3.1
563.23047	1.0
564.23730	4.6
565.24750	2.3
567.25415	0.5
579.26099	6.8
581.23889	0.6
589.24377	0.4
592.22821	0.4
595.25494	2.8
596.26270	1.0
607.25433	1.1
610.27753	0.8
611.29419	0.7
621.26831	4.7
621.41498	1.0
622.25909	0.6
624.25787	5.6
639.28094	100.0
639.41949	8.5
640.28455	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	639.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01877	0.9
55.05505	3.0
59.82399	0.7
65.03928	1.0
67.05512	6.6
67.71627	0.7
69.07059	2.2
79.05490	5.2
81.03427	1.1
81.07062	5.4
83.04987	1.4
83.08612	1.3
91.05491	5.2
93.07041	4.9
95.04973	2.3
95.08617	3.7
97.06532	1.8
97.10174	1.1
104.58057	1.1
105.07059	4.2
107.04965	1.1
107.08627	2.8
109.06538	0.9
109.10196	1.0
113.00118	0.9
117.07043	2.6
119.08595	3.1
121.10191	1.9
128.06229	1.2
129.07022	1.8
131.08534	3.5
133.06526	0.8
133.10147	2.3
135.08089	1.4
135.11691	0.9
143.08607	1.8
145.10168	2.1
147.11671	0.9
149.09647	1.6
157.10130	1.9
161.13374	0.9
183.11736	0.9
184.07430	2.2
202.16086	0.7
203.16370	1.0
207.09221	1.2
209.10800	1.5
213.06528	0.8
221.10727	0.9
223.12360	2.4
224.13235	1.0
225.13966	1.4
229.49852	1.0
233.10710	1.2
234.11424	1.0
235.12314	1.8
236.13200	1.5
237.13890	4.0
238.14738	3.4
239.08408	0.9
239.15512	1.7
242.45613	0.8
247.12392	1.1
249.10265	0.9
249.13954	2.7
251.11896	1.5
251.15547	2.7
252.16025	1.3
253.17084	1.3
261.14020	2.9
262.14859	1.0
263.12006	0.9
264.12640	0.9
265.44257	0.9
272.12546	0.7
273.18512	0.9
275.15494	1.0
275.20404	0.8
277.13620	1.0
279.15002	1.8
291.19617	2.0
299.10312	2.0
301.13901	1.5
302.13925	1.2
311.13760	0.7
312.14883	0.8
326.16589	1.1
328.18515	0.7
338.16550	0.8
338.84583	0.8
350.16757	1.0
354.19553	0.9
377.18484	0.8
379.19553	2.0
392.21036	0.9
393.21231	1.2
398.02139	0.7
405.17068	1.7
406.18106	1.5
407.18408	3.6
408.19455	1.0
409.20352	0.9
410.21323	1.7
411.40732	0.8
420.19980	1.1
421.20428	2.2
422.21039	2.7
423.21896	3.0
433.16736	1.2
435.17667	1.7
435.22751	1.1
446.21378	0.8
448.19867	1.0
449.19543	2.1
450.20700	1.4
451.21506	2.9
463.22241	1.1
468.21786	1.2
477.22937	0.7
479.21008	1.1
481.26947	3.4
482.23181	2.0
483.24008	1.0
491.20428	1.0
494.23792	1.1
509.25790	16.4
519.24121	3.1
521.22668	1.1
522.22687	1.8
526.26617	0.9
527.37219	2.0
535.26813	0.9
536.25018	0.9
537.25232	13.4
547.23553	1.4
551.27087	4.9
561.24475	1.3
564.23712	1.1
565.24567	14.9
567.29712	3.2
569.27698	18.7
570.27905	1.5
579.26129	4.8
596.26251	3.0
597.27155	100.0
598.27740	4.7
607.25562	8.4
611.28723	11.6
621.26935	3.6
621.42194	1.0
622.27020	1.4
639.28125	23.8
639.42395	4.4
661.64575	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.3
53.03952	6.9
55.01862	3.1
57.03424	2.2
65.03962	1.9
66.12129	0.9
67.01865	1.4
69.03440	9.4
69.18869	1.0
69.86317	0.8
70.06597	1.6
71.50319	1.5
79.01849	3.9
80.89413	1.0
81.03429	62.6
83.01312	1.6
85.02918	4.8
91.01820	1.0
92.87674	0.9
92.99809	1.6
95.01321	5.6
97.02891	3.3
99.00813	1.4
99.04465	1.5
101.02368	1.3
102.52029	1.0
109.02896	41.8
111.00844	1.7
113.02351	2.5
119.01307	3.2
121.02901	5.3
121.49081	0.9
123.00815	3.8
123.23623	1.0
125.02346	2.0
127.03939	7.9
137.02364	2.4
139.03906	2.1
141.01823	3.4
147.00810	2.1
149.02309	4.5
151.00275	3.4
153.01840	2.5
163.03954	1.3
165.01863	13.1
166.99770	1.2
167.03436	5.9
169.01337	2.2
173.02403	1.0
177.01909	1.4
181.01387	1.4
182.99223	1.4
189.01895	1.0
191.03416	1.9
193.01352	100.0
194.01685	2.1
195.02907	2.2
201.01825	1.1
203.03366	1.6
205.01346	2.8
211.02348	1.8
215.03448	1.6
217.01358	1.4
219.02907	3.9
221.00835	95.4
222.01132	1.5
229.01421	1.3
231.02892	3.9
237.46155	0.9
239.01862	8.7
245.00787	3.2
247.02429	14.5
257.03033	1.6
259.02341	3.9
263.01987	2.1
271.02335	2.1
273.00363	2.8
273.03931	1.1
275.01907	7.2
284.21100	1.0
287.01865	2.1
289.03458	1.4
291.01398	1.1
299.05478	1.3
301.03433	4.1
303.01407	7.4
319.00958	1.3
365.05142	2.1
419.06442	1.6
429.04361	1.5
431.02313	2.6
447.05890	1.6
449.03540	4.0
459.01807	3.6
477.03125	10.8
495.03708	1.4
572.66052	1.0
603.06256	2.8
621.07239	12.4
639.08466	16.4
648.47784	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.01895	2.1
56.40205	2.3
56.96559	2.7
58.31048	2.1
61.60373	2.1
69.03429	6.9
69.13107	2.2
70.06602	61.3
70.23116	9.1
72.56501	2.0
81.03419	41.4
85.02916	6.1
97.02928	3.0
98.97601	3.2
99.04520	2.6
100.14079	2.3
102.86131	2.3
109.02889	23.8
112.07626	58.7
116.07085	19.4
123.00801	4.0
140.07047	8.3
153.01863	6.3
158.08148	100.0
165.01823	5.1
193.01341	34.3
221.00842	41.7
231.03040	2.1
239.01936	6.6
247.02423	6.4
275.01907	5.4
277.03455	2.3
289.20108	2.9
303.01355	6.6
303.08603	5.7
412.90512	2.4
449.03452	4.0
477.02866	7.4
552.97858	2.6
621.07178	5.0
639.07910	7.3
639.17712	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	639.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.0
53.03952	7.1
55.01878	5.5
57.03443	1.8
58.48203	0.7
65.03938	1.2
67.01866	2.0
68.99807	2.0
69.03436	8.5
70.06602	1.7
71.05006	1.0
71.24855	1.5
71.66644	0.8
79.01849	3.2
81.03423	66.6
83.01335	1.3
85.02902	6.2
92.99764	1.7
93.03387	1.1
95.01330	5.8
97.02894	3.1
99.00822	0.9
99.04468	2.3
101.02392	1.1
109.02885	44.1
109.79696	0.7
111.04452	1.1
113.02366	1.8
119.01328	2.0
121.02876	4.0
121.03660	0.6
123.00777	3.3
125.02338	1.6
127.03934	7.8
137.02316	2.6
139.03870	1.5
141.01836	2.5
147.00774	1.6
149.02330	4.2
150.18097	0.7
151.00307	3.3
153.01836	1.8
154.99797	0.9
163.03949	1.3
165.01846	12.6
166.99863	0.9
167.03419	5.7
169.01268	1.7
173.02452	0.8
177.01866	1.9
178.99814	1.0
181.01340	1.1
182.99278	1.9
189.01820	0.9
191.03456	1.1
193.01340	98.3
194.01646	2.0
195.02841	1.9
197.01003	0.9
201.01869	0.7
202.92943	0.6
202.99780	0.6
203.03427	0.9
205.01268	3.4
209.00909	0.8
211.02379	2.2
215.03603	0.8
217.01376	1.7
219.02899	3.0
221.00821	100.0
222.01196	1.5
229.01306	1.7
231.02893	4.1
239.01881	8.0
245.00826	3.1
247.02397	17.1
257.00751	1.4
257.03116	1.8
259.02350	2.4
263.01755	2.9
267.01331	2.0
271.02325	1.9
273.00302	2.4
273.03882	1.1
275.01895	8.8
291.01187	1.0
299.05432	1.6
300.05740	1.1
301.03305	3.7
303.01321	9.2
313.03366	0.7
317.02902	0.9
319.01056	1.6
341.02780	0.7
365.04901	2.4
383.05414	0.8
401.05182	0.7
429.04398	1.6
431.02435	2.6
447.05368	2.1
449.03680	4.4
459.02084	3.7
477.02985	9.2
495.03928	1.4
585.05182	0.8
603.06085	2.6
620.97992	1.0
621.07275	12.0
638.98700	1.0
639.08319	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	638.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.3
55.05508	23.9
57.03438	8.0
57.07076	32.3
58.07406	4.1
67.05512	39.3
68.05848	3.1
69.03438	10.4
69.07076	28.3
70.24356	2.9
71.08636	25.8
72.24040	3.8
75.12690	3.1
77.49655	3.1
79.05502	22.9
81.03421	8.0
81.07069	39.0
83.04988	3.1
83.08640	15.4
85.10176	10.8
91.05497	18.5
93.07042	17.3
95.04977	5.7
95.08601	24.2
97.02899	7.9
97.10184	13.3
98.20760	4.7
105.07043	13.3
107.04964	7.5
107.08623	10.8
108.41907	2.9
109.06520	4.5
109.10165	25.7
113.00671	3.2
117.07008	3.7
119.08603	11.5
121.10153	9.1
125.09633	8.6
129.07024	5.2
131.08554	7.5
133.06567	3.5
133.10149	10.5
135.11699	4.0
137.09645	4.0
145.10240	3.6
147.08031	5.5
189.11200	5.2
223.13356	21.5
227.12852	4.5
253.14334	7.2
273.18521	10.7
286.94647	3.1
291.19559	100.0
313.27420	67.9
365.23306	32.5
454.50742	3.4
467.37411	4.8
468.37482	15.3
603.46167	48.2
638.46729	8.2
638.59900	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	638.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64065	1.9
50.96677	2.0
55.01862	7.2
55.05515	9.1
57.03421	5.4
57.07088	17.8
65.25198	1.7
67.05179	3.1
67.05504	35.6
69.03442	4.1
69.07079	14.0
71.08627	11.6
71.35275	2.2
75.20017	1.8
79.05493	17.8
81.03412	4.3
81.07066	32.7
83.04961	4.9
83.08618	9.4
85.06535	3.0
85.10178	5.2
87.67160	1.8
91.05482	26.9
93.07040	22.1
95.04961	5.8
95.08614	21.2
97.06528	3.9
97.10165	3.6
100.74216	1.7
105.07043	24.5
105.64130	1.7
107.04939	4.0
107.08604	23.2
109.06500	5.1
109.10152	33.3
117.07005	2.9
119.08568	6.1
121.06471	5.0
121.10121	3.2
123.11687	7.9
127.07583	1.8
129.06993	2.9
131.08549	5.9
133.06477	2.8
133.10139	37.5
135.08020	2.5
135.11717	4.1
137.09575	1.9
139.90227	1.9
143.08566	2.9
145.10095	2.9
147.08041	3.5
147.11668	3.1
149.09573	2.8
151.11185	21.7
159.11647	2.7
161.09610	5.9
169.12308	5.1
175.11322	2.4
179.82036	1.7
215.12706	2.2
253.14359	100.0
267.15991	2.5
273.18481	13.6
291.19531	8.8
313.27423	29.8
347.21939	4.6
365.23212	15.1
394.61893	1.9
509.38391	12.0
603.46136	22.4
638.60742	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	3.1
53.03956	18.1
55.01867	9.0
55.05518	31.7
56.78874	2.7
57.03442	14.7
65.03933	7.3
67.05510	94.0
69.03442	17.1
69.07076	18.3
71.04982	10.7
71.52059	4.2
79.05499	97.6
81.03427	48.5
81.06588	5.1
81.07059	89.0
83.04984	31.1
83.08645	19.2
85.02894	11.5
85.06524	6.6
85.34335	2.8
91.05489	81.4
93.07052	93.9
95.04968	29.1
95.08610	39.0
97.02905	15.3
97.06535	18.6
97.10170	8.7
99.08080	3.7
103.05418	3.8
103.94250	2.9
105.04449	3.3
105.07038	52.4
107.04959	10.8
107.08617	30.9
109.02856	9.8
109.06516	8.8
109.10195	6.7
111.04433	8.9
111.08080	6.5
115.05453	3.2
117.07027	25.4
119.04972	4.6
119.08598	38.2
120.35390	3.5
121.06482	11.3
121.10144	16.2
123.05583	3.9
123.08057	10.6
125.34547	3.2
127.03910	10.4
128.06235	5.5
129.05479	7.5
129.07013	21.9
131.08615	19.1
133.06488	3.4
133.10146	28.2
135.11690	7.5
141.06985	3.9
142.07707	3.8
143.08546	12.6
143.89485	3.4
145.06528	6.1
145.10112	16.3
147.04405	7.7
147.11716	39.5
149.09654	3.9
149.13275	12.9
155.08684	3.4
157.10130	7.8
159.08093	4.3
159.11693	16.5
161.09589	7.2
161.13251	11.0
163.11243	3.5
165.12785	4.7
169.10156	3.4
171.11716	30.0
173.13205	3.4
177.12744	5.9
189.12738	10.7
195.11671	2.6
195.13818	8.7
207.13809	32.7
267.15875	8.6
269.17621	7.4
271.16861	5.6
281.17514	51.0
287.16385	3.1
339.17978	6.4
395.20529	4.7
413.21692	20.9
457.29044	6.0
475.30603	100.0
618.28711	4.0
619.34631	48.0
637.40228	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	19.2
55.01866	8.2
55.05273	2.7
55.05514	37.3
57.03451	14.2
57.23494	2.5
65.03927	6.0
66.14368	2.3
67.05509	77.4
69.03443	17.2
69.07072	22.1
70.81949	2.3
71.01331	2.9
71.04985	6.9
71.51665	2.5
73.02917	3.9
79.05497	87.8
81.02986	3.8
81.03426	47.5
81.06593	4.6
81.07061	83.0
83.04985	32.2
83.08618	15.5
85.02884	7.9
85.06544	3.9
90.07065	2.2
91.05489	76.8
93.07048	100.0
95.04963	20.5
95.08614	37.7
97.02899	13.4
97.06541	12.9
97.10193	5.7
99.04451	4.3
99.08083	4.9
105.04517	4.8
105.07032	46.0
107.04946	10.4
107.08592	36.5
109.02874	11.0
109.06509	10.6
109.10146	8.0
111.04421	8.0
111.08064	8.5
115.05430	5.9
117.07021	23.3
119.08583	30.9
121.06483	6.3
121.10139	16.9
123.08049	7.2
123.11696	2.7
125.09643	4.7
127.03912	5.9
127.07588	3.4
128.06238	7.1
129.05473	9.4
129.07007	20.5
131.04878	2.2
131.08568	16.4
133.06454	3.1
133.10141	17.3
135.08052	7.7
135.11668	7.6
141.06976	4.8
143.08594	16.7
145.06488	8.1
145.10132	14.8
147.08026	5.9
147.11710	32.6
149.09631	4.9
149.13239	10.1
155.08575	4.6
157.10123	7.9
159.08020	3.2
159.11699	9.9
161.09619	7.3
161.13301	14.5
163.07414	2.3
163.11180	4.1
167.05798	2.3
169.10153	2.4
171.11705	26.9
173.13249	2.7
177.12729	3.6
189.12720	8.7
195.13785	8.8
206.26031	2.7
207.13806	33.2
219.11761	2.6
225.14816	3.1
227.12767	3.6
267.15973	3.6
269.17426	8.0
271.16916	9.2
275.20081	3.1
281.17508	49.5
287.16367	3.5
289.17834	2.5
338.46426	3.1
339.18091	5.2
351.29874	2.7
395.20639	4.0
413.21735	21.2
457.29593	6.4
475.30630	92.8
537.54089	2.9
619.18988	2.8
619.34503	36.1
637.41223	13.1
650.06519	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	637.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76419	1.1
52.60991	1.1
53.03953	9.3
55.01872	14.0
55.05273	2.1
55.05512	26.1
57.03440	10.6
59.05000	1.7
65.03938	2.9
67.05507	33.4
69.03433	20.3
69.07074	8.6
71.01340	2.7
71.04996	15.2
71.09807	2.7
71.10162	1.5
73.02927	1.6
77.88338	1.1
79.05492	39.5
79.32592	1.1
81.03419	100.0
81.06586	2.1
81.07056	34.3
83.01356	3.9
83.04980	27.4
83.08623	22.0
85.02901	18.0
85.06533	3.9
91.05482	39.8
93.06479	2.2
93.07046	33.3
95.04967	24.7
95.08601	13.2
97.02898	19.9
97.06539	10.6
97.10168	8.2
99.04470	7.8
99.08098	1.5
103.05467	1.8
105.04471	1.9
105.07037	24.0
107.04962	14.5
107.08594	18.6
109.02879	22.2
109.06499	7.0
109.10162	8.2
111.04444	14.7
111.08096	8.4
113.05991	1.5
115.05436	2.6
117.07011	10.8
119.04942	2.1
119.08580	18.9
121.06487	5.0
121.10138	13.7
122.94901	1.2
123.04442	4.1
123.08065	5.4
123.11652	2.7
125.09602	6.2
126.86534	1.2
127.03918	13.0
128.06204	2.1
129.07007	12.4
130.07735	1.5
131.04895	2.8
131.08588	11.8
133.06465	3.2
133.10141	10.2
135.04428	1.4
135.08046	3.4
135.11679	11.2
137.05971	1.5
137.09590	2.1
141.06924	1.6
142.07762	1.8
143.08528	2.3
145.06465	4.0
145.10112	13.7
147.04407	3.1
147.08061	4.5
147.11699	10.8
149.06001	1.9
149.09633	5.0
151.11108	1.3
153.12755	9.2
154.92560	1.2
155.08543	1.9
157.06482	1.5
157.10121	8.4
161.06018	1.9
161.09642	2.3
163.11182	21.4
165.12759	3.7
171.08092	1.7
173.04453	2.6
173.09651	4.5
175.11234	8.0
177.12794	1.4
181.12236	7.5
185.09602	1.9
189.11252	1.5
191.10658	7.4
193.12253	26.9
197.05942	1.3
206.65903	1.3
207.10429	1.3
209.11624	6.8
211.13293	36.0
227.12801	13.1
229.14273	1.5
243.13889	1.8
249.14989	1.3
267.15887	7.1
273.14987	1.9
275.21100	1.3
277.14655	1.6
283.15424	12.8
285.17047	2.5
289.14371	1.8
301.14160	3.4
319.15341	1.9
337.16559	2.4
353.15921	4.7
355.17493	5.2
370.88062	1.3
375.18112	1.7
383.22067	2.7
385.18359	1.4
385.23718	1.3
401.23123	1.4
409.18326	1.7
411.19983	3.5
440.27026	2.0
457.25775	4.4
475.26859	12.5
493.27869	11.4
494.28418	1.5
543.86670	1.3
559.28986	1.7
587.31287	1.4
619.31390	6.4
637.32117	49.8
655.09662	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	2.2
53.03951	13.0
55.01884	14.3
55.05270	2.0
55.05515	26.3
57.03444	11.2
57.07070	2.0
59.04998	2.7
61.02918	1.7
65.03931	4.2
66.68764	1.7
67.05510	52.6
68.05865	1.8
69.03429	25.5
69.07073	10.7
71.01344	2.9
71.05001	8.9
72.79111	1.4
73.02921	3.0
79.05500	40.9
79.05969	2.2
79.21279	1.3
80.15639	1.3
81.03423	100.0
81.07061	39.6
82.03780	2.2
82.58746	1.6
83.01352	3.3
83.04983	22.0
83.08627	18.6
85.02442	1.8
85.02917	21.7
85.06531	2.5
91.05484	38.8
93.07049	30.3
95.04984	29.2
95.08621	12.7
97.02900	17.4
97.06540	8.3
97.10177	10.0
99.04449	5.9
99.08125	2.1
101.02383	1.6
103.05487	2.7
105.07037	24.4
107.04973	20.0
107.08601	14.0
109.02890	22.0
109.06530	6.2
109.10160	22.6
110.10505	2.0
111.04463	13.6
111.08070	8.8
113.06046	2.1
115.05506	1.8
117.07031	11.5
119.08587	17.5
121.06535	6.2
121.10159	11.3
123.04408	4.8
123.08090	4.9
123.11726	1.6
125.02346	2.7
125.09611	8.6
127.03909	14.3
128.06247	1.8
129.05505	2.2
129.07008	10.9
131.04962	2.9
131.08572	13.5
133.06511	4.4
133.10135	11.9
135.04408	4.3
135.08055	3.7
135.11729	8.3
137.05994	3.3
137.09587	2.8
141.07043	2.3
142.07813	2.2
143.08617	3.3
145.06535	5.2
145.10112	11.1
147.04401	3.8
147.08063	5.7
147.11708	13.1
149.05977	4.1
149.09616	7.0
153.09116	1.9
153.12730	7.6
155.08545	2.8
155.10684	1.8
157.06503	3.5
157.10121	9.0
159.08066	2.7
159.11621	2.8
161.06023	2.4
161.09639	3.3
163.07506	1.8
163.11188	17.0
165.12740	4.2
171.08147	1.5
171.11638	2.7
173.04529	9.3
173.05843	2.1
173.09727	3.6
173.11774	3.9
175.11237	7.9
181.12271	6.8
185.13266	2.0
189.11249	5.1
191.10730	9.3
193.12248	22.0
203.36951	1.9
205.12372	2.3
209.11714	10.5
211.13300	32.0
213.12791	2.1
215.10756	1.7
223.13255	1.9
227.12801	18.8
229.14389	8.7
230.14864	2.1
231.13840	2.2
235.13313	2.1
247.13220	4.5
249.14983	2.3
265.14407	3.1
267.15964	11.7
273.14761	1.8
277.14554	2.0
283.15439	8.4
285.17087	3.0
286.17264	1.9
289.14453	2.6
301.14206	3.2
319.15207	1.8
329.71338	1.7
335.15063	2.2
337.16644	3.8
353.15765	2.1
355.17731	3.5
365.21124	1.9
383.22260	3.5
393.19116	2.0
401.23053	2.0
409.18484	1.7
421.25934	4.9
427.19809	1.9
439.26797	4.5
440.27182	12.4
447.27414	1.9
457.25912	5.6
475.26923	16.5
493.27823	10.6
555.29187	1.8
601.29797	3.8
619.31195	8.6
637.32153	55.8
638.32495	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	637.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79061	0.5
55.05507	1.9
56.62322	0.5
57.07076	1.4
57.14930	0.6
57.41729	0.5
59.05005	6.4
67.05514	5.3
69.07072	1.3
71.08640	0.8
71.51295	0.9
71.86480	0.5
79.05498	1.0
81.07053	3.0
83.08622	2.0
91.05497	1.4
93.07034	0.7
95.08611	1.8
97.10204	1.1
101.20897	0.6
105.07020	0.8
109.10174	2.9
119.08525	0.8
173.09633	0.6
173.11841	0.6
197.04622	0.5
198.20285	0.6
242.89354	0.6
268.76846	0.6
314.23538	0.6
336.46878	0.6
389.17673	2.9
390.18469	1.1
391.19125	1.0
402.19263	0.7
403.19290	2.5
404.20197	1.5
405.20901	7.6
415.19128	0.7
416.20215	0.7
417.16260	3.8
417.21170	2.2
418.17978	1.7
419.18640	1.2
429.20908	0.7
431.17798	4.4
432.19293	6.1
433.20087	6.7
443.18414	1.2
444.19434	1.0
445.20691	4.1
457.20447	1.2
458.21106	1.9
459.21878	3.5
461.19946	1.9
463.25583	0.9
465.35754	4.7
475.21494	1.6
477.22961	2.4
489.23264	0.9
490.23694	2.8
491.25168	4.3
517.76263	0.6
519.23987	27.3
520.24274	1.0
535.23743	1.9
545.25452	2.0
547.23676	1.3
550.25922	1.5
577.28302	10.9
578.25403	0.8
579.25861	4.8
605.27167	1.6
637.30298	100.0
638.30481	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	637.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60626	0.6
55.05506	2.1
56.64639	0.6
57.07085	3.1
59.86561	0.6
67.05515	7.0
69.07071	1.9
69.76094	0.5
70.47807	0.6
71.08631	2.8
71.52448	0.9
79.05499	1.5
80.78955	0.5
81.07074	2.5
83.08630	2.4
85.10178	1.1
91.05487	1.1
93.07071	1.3
95.04956	0.7
95.08596	3.0
97.10191	0.8
105.07021	1.1
109.10169	4.3
120.08130	1.0
120.88622	0.5
125.09595	0.8
146.06090	0.7
150.25230	0.6
167.89209	0.6
209.10741	0.9
211.12181	0.7
223.12140	0.8
227.12769	0.7
239.24074	0.6
264.36023	0.7
293.12671	0.6
311.14084	0.9
313.27496	1.3
321.35510	0.8
328.14542	1.0
343.94739	0.9
402.18347	1.1
405.21210	1.3
419.18561	1.9
420.23663	0.9
431.18628	1.4
433.19666	3.1
434.21210	1.5
435.22092	1.1
445.20392	2.5
447.22113	2.4
448.22638	1.8
459.22296	4.9
460.22705	2.6
461.19397	1.5
466.36209	1.0
467.37122	4.6
475.21106	3.3
476.22180	2.8
481.39136	1.1
489.22623	0.7
493.38959	0.9
519.23682	1.5
521.25372	2.2
525.41943	1.0
531.24390	0.8
534.26447	1.3
535.27405	1.3
539.43243	1.2
545.25269	2.8
546.26062	1.9
547.26526	1.2
561.24640	1.9
562.25812	2.7
563.26672	8.1
565.24890	0.8
577.28406	4.6
579.26196	1.4
591.25629	0.8
594.28259	1.9
605.27740	2.7
606.28583	2.3
621.27087	1.5
622.27997	2.5
637.30243	100.0
638.30566	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	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32421	0.4
54.67222	0.4
55.31961	0.4
55.78437	0.5
65.40370	0.4
67.05442	0.6
69.64938	0.5
70.08268	2.1
76.00456	0.4
77.63086	0.4
81.06974	0.5
99.09269	0.5
102.42847	0.4
115.47829	0.4
135.40512	0.4
138.77106	0.4
158.64651	0.4
289.37912	0.5
291.05127	0.4
376.17352	0.8
377.17609	0.9
387.16187	0.7
388.17685	0.9
389.18530	1.0
390.18820	1.1
391.19266	3.4
392.20068	1.5
399.16071	1.4
400.16772	2.2
401.17700	1.9
402.19577	0.6
403.19687	1.6
404.20685	1.2
405.20700	5.6
406.21594	5.7
412.18063	0.7
413.17804	2.5
414.18442	3.4
415.19266	4.6
416.20239	1.0
417.21176	2.9
418.17508	0.7
419.23044	2.3
420.23129	4.8
421.23892	12.8
427.19223	2.4
428.20129	3.4
429.20895	13.4
430.22064	3.6
431.18079	0.9
431.22913	1.2
433.20148	2.8
433.24438	1.6
434.24908	1.6
441.16177	0.7
441.21454	0.6
442.21869	2.4
443.22534	9.0
444.23373	6.6
445.19797	4.1
446.21021	2.0
447.18164	2.0
452.21881	0.7
455.18967	0.9
456.19470	1.9
457.19128	1.3
457.23978	4.1
458.25000	10.7
459.21786	9.8
460.22681	6.5
461.19366	9.3
462.20319	0.9
470.20953	1.6
471.21884	1.7
472.22693	8.3
473.19543	2.7
473.24243	1.7
474.19992	0.5
474.24570	0.6
475.20789	3.4
476.21967	7.7
477.27161	1.1
484.18948	1.2
485.23517	16.0
486.20291	2.5
486.24191	5.0
487.20673	3.4
488.22046	5.8
489.22821	1.4
490.23862	1.0
491.24704	1.0
492.25220	0.6
493.22714	0.7
499.21481	2.0
500.22290	2.3
502.23724	1.3
503.24445	24.2
504.24799	1.0
505.22620	1.5
513.22968	4.6
514.23511	1.7
517.26196	10.5
518.25989	0.7
529.26025	2.3
535.27100	28.9
536.27448	1.2
545.25525	95.0
546.25879	3.5
549.24957	0.8
558.22443	0.9
563.26501	5.2
573.25012	23.3
574.24738	0.6
577.27979	1.1
578.28491	1.2
605.27625	87.3
606.27960	3.7
637.30249	100.0
638.30682	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	637.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.9
55.71300	0.6
57.03439	0.6
57.07076	2.6
65.73477	0.5
67.05507	4.5
69.07061	1.7
71.08630	2.1
79.05521	1.5
81.07053	3.4
83.04955	0.8
83.08647	1.5
85.10189	1.2
91.05496	1.4
93.07048	1.7
95.04984	0.5
95.08608	2.4
97.06550	0.6
97.10179	1.1
97.80987	0.6
98.98523	0.6
105.07056	1.4
107.08607	1.6
109.10156	3.1
111.08035	0.6
119.08553	1.6
121.10156	0.7
123.08072	1.2
133.10190	0.7
147.08170	0.6
163.11147	0.7
173.09628	1.1
189.11240	0.6
195.09297	0.7
207.09154	0.7
209.10800	1.1
210.11606	1.0
211.08694	0.8
222.11263	0.5
223.12357	2.2
224.13155	1.9
225.10329	0.6
225.13794	0.8
227.12726	0.6
237.10315	0.8
237.13918	1.8
238.74748	0.7
239.15462	0.9
250.11127	0.8
251.08260	0.9
251.11856	0.7
253.13139	0.6
256.65781	0.6
261.18826	0.6
265.13467	1.1
271.16833	0.7
283.10901	0.8
289.18066	0.7
311.13959	1.0
313.27359	2.2
391.19229	0.7
400.63876	0.7
403.15494	1.1
405.20926	1.2
417.16840	1.1
418.17746	0.7
419.18451	0.9
431.18555	1.3
432.19485	1.0
433.19778	2.9
445.20459	0.8
446.21603	0.7
447.17688	1.1
447.22650	0.9
448.22852	1.9
459.22430	3.1
461.19217	2.9
462.20221	0.7
465.35703	1.8
467.37180	1.1
475.21002	4.6
476.22040	11.0
477.22412	0.9
488.22046	0.8
489.23315	0.7
503.24380	1.6
505.22568	0.6
519.23993	1.5
525.41644	1.6
533.22711	1.2
535.26874	2.5
545.25555	4.5
547.23663	2.3
549.25458	1.6
561.24670	0.8
562.25781	8.4
563.26508	3.9
573.25397	0.9
577.28143	4.9
579.26208	1.7
590.25031	0.9
605.27777	3.2
622.27802	2.0
637.30243	100.0
638.30505	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.302
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97701	0.6
55.05512	0.8
57.07070	1.1
67.05504	1.7
79.05499	0.6
81.07085	0.7
91.05463	0.7
95.08617	1.0
105.07045	0.6
109.10205	0.7
167.72826	0.5
184.10065	0.5
346.61908	0.5
389.17392	0.9
391.19629	0.5
400.16986	0.5
401.17932	1.8
402.18558	0.6
403.19403	1.1
405.20743	1.3
415.19421	1.6
416.20227	1.0
417.16379	0.8
417.20905	1.8
419.22427	2.0
429.16571	0.8
429.21292	0.8
430.17505	2.6
431.17914	3.0
432.23135	1.5
433.19980	0.9
443.18225	2.8
444.19202	2.5
445.20108	10.5
446.21338	2.9
447.22031	1.4
458.21030	9.1
459.21799	7.6
460.22617	6.6
461.19400	5.0
462.20505	0.5
467.37720	0.6
471.21887	0.9
473.23578	0.9
475.21085	2.2
476.22150	1.5
477.23172	2.5
485.23901	0.9
487.25449	0.7
489.18915	0.6
490.23987	0.6
491.24588	1.6
503.20724	0.7
504.25348	0.7
511.60471	0.5
517.22791	2.0
518.23126	5.4
519.24225	1.0
530.23206	1.0
531.24121	1.6
532.24426	0.6
533.25775	3.6
535.23584	1.9
545.25543	2.6
546.26398	2.1
549.25018	1.3
563.26501	0.8
573.24744	0.8
577.28149	2.8
587.23236	0.7
590.25256	0.6
592.27063	1.1
605.27582	13.5
606.28101	1.1
637.30237	100.0
638.30426	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	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.3
55.91207	0.7
57.07064	1.5
58.30999	0.6
65.02979	0.8
66.51020	0.7
66.67632	0.6
67.05517	3.2
69.07066	0.8
79.05517	1.2
81.03432	1.3
81.07069	2.2
83.08642	0.9
89.48269	0.6
91.05470	1.4
93.07063	1.1
95.08614	1.7
98.21550	1.1
107.08604	1.0
109.10165	1.9
117.68305	0.7
119.08570	0.8
121.10152	0.9
125.09659	0.7
131.25232	0.6
142.99585	0.7
145.10204	0.8
162.60680	0.8
183.09270	1.0
185.34987	0.7
195.09160	0.7
214.99727	0.7
220.10237	0.7
223.12352	1.3
225.39070	0.7
245.10988	0.8
361.27228	0.8
374.17068	0.8
375.16083	0.8
376.17081	1.1
377.17581	2.6
378.18539	2.4
386.15445	1.6
387.16135	1.3
389.17538	1.4
390.18536	1.0
391.19290	5.6
392.20026	2.9
393.20752	4.1
397.14966	0.7
398.15140	0.9
399.15991	2.3
400.16873	3.1
401.17700	3.4
402.18521	1.3
403.19400	1.0
405.21301	3.2
407.22345	6.4
411.16113	0.9
412.17038	1.2
413.18134	3.2
414.18643	4.0
415.19446	8.1
417.16812	1.4
419.18723	3.0
420.18967	1.1
421.20102	5.2
425.17743	1.7
427.19876	1.7
428.20175	4.2
429.21579	6.6
430.22009	1.7
431.18835	2.6
435.21786	6.2
436.22827	1.4
439.19421	1.1
441.17175	1.2
443.18338	3.0
443.22678	3.0
444.18616	3.6
445.20547	4.1
446.21170	1.4
447.18008	2.1
456.19778	1.4
457.20633	5.2
458.21249	4.0
459.18335	2.3
461.19736	3.0
462.20016	1.1
463.20908	0.9
469.16879	1.0
471.22675	6.0
472.23154	5.7
473.19763	5.7
474.20908	3.1
475.17084	1.0
475.21909	1.7
476.18008	0.9
477.18732	0.8
484.18851	1.6
485.19870	5.8
486.20535	5.8
487.21741	1.3
488.22321	1.4
489.19193	3.6
489.23230	2.8
490.19492	5.0
491.20966	2.7
499.21368	10.1
500.21982	4.0
501.19012	1.6
502.20554	1.6
503.24252	3.4
513.19336	6.6
514.19934	1.5
516.21643	1.3
517.22394	16.5
519.20807	1.0
521.25519	2.1
527.20892	2.8
528.21521	1.4
529.22559	2.0
530.22876	0.8
531.24554	12.1
545.21973	2.2
548.23694	0.8
549.24976	7.5
559.23438	78.7
560.23914	2.0
577.24622	3.6
578.25226	1.5
587.22845	15.9
591.25958	5.4
605.23944	9.1
609.27100	1.0
619.25537	78.4
620.26007	1.9
637.26587	100.0
638.26862	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	636.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.8
60.08128	0.5
67.05479	2.5
71.51030	0.9
73.61294	0.6
81.07025	1.5
86.09682	1.8
86.35546	0.5
88.41757	0.5
91.05452	1.1
91.65829	0.6
95.08562	1.2
98.98442	1.4
105.07029	0.8
109.10124	1.1
118.06573	3.8
121.10099	0.7
125.00010	7.3
132.08069	1.1
139.75655	0.5
144.08090	13.8
146.09650	1.4
158.09656	5.2
159.10426	2.3
160.11241	1.2
162.09128	2.1
172.11226	4.5
176.10718	1.3
176.14349	20.6
177.11472	0.6
184.07356	6.9
202.15921	100.0
203.16203	1.2
220.16975	78.6
221.17349	1.4
300.13617	76.0
301.14182	0.7
403.16318	0.7
517.22412	0.7
545.21954	1.2
545.31799	0.5
559.23578	0.7
576.23328	1.1
577.23737	0.7
605.24146	1.2
618.39001	5.9
636.25781	1.1
636.40332	24.0
637.26044	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
75.84553	0.5
80.29193	0.5
84.80758	0.4
95.70103	0.5
103.67556	0.6
221.10785	0.8
229.05577	0.6
233.22714	0.5
326.13150	0.5
377.17493	0.6
385.14294	0.6
386.15451	1.4
387.16373	1.0
388.17831	0.5
389.17896	0.9
391.19147	1.6
392.19751	1.4
393.20767	2.3
398.16086	0.9
399.16180	2.2
400.17035	3.3
401.17719	4.4
403.19537	1.1
405.21243	0.6
407.22421	2.9
412.17664	0.7
413.17654	3.7
414.18588	4.6
415.14676	0.5
415.19373	10.6
416.20166	0.9
417.21231	1.1
419.18439	0.7
421.20108	2.9
425.17575	1.5
427.19162	1.8
428.20563	3.8
429.15863	0.8
429.21371	8.2
430.21912	2.4
431.18317	0.7
435.21701	2.1
439.19110	0.8
441.17099	1.6
442.17819	1.6
443.18079	2.6
443.22455	4.6
444.18567	4.8
445.20010	3.1
446.21530	0.6
447.17776	0.8
456.19653	1.3
457.20694	5.0
458.21231	4.1
459.17477	0.7
459.22778	0.7
461.19440	0.7
463.21423	0.9
469.16318	0.8
470.16754	0.7
471.22241	8.9
472.23154	6.2
473.19498	4.9
474.20563	1.3
475.21515	1.0
484.18665	0.8
485.19809	2.3
486.20584	6.2
487.21405	2.5
488.22293	1.0
489.22662	1.8
490.19696	3.5
491.20483	0.9
499.21436	10.9
500.22443	2.7
501.23099	0.7
503.24887	4.6
513.19299	1.4
514.20258	0.9
516.21637	1.8
517.22290	3.5
521.25580	0.6
527.20801	2.5
528.21844	1.1
530.22705	1.0
531.24005	13.7
541.22418	0.9
543.23755	1.1
545.21588	1.1
549.24860	1.0
559.23450	100.0
560.23969	4.3
580.10327	0.6
587.22937	17.7
588.23279	1.0
605.23871	0.9
619.25562	96.2
620.25641	4.6
637.26630	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	636.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01872	2.2
55.05515	10.4
57.03186	1.2
57.03442	9.3
57.07068	1.1
59.04993	3.0
61.02926	3.8
64.47810	0.7
65.03938	1.9
66.53713	0.7
67.05508	62.1
69.03426	4.3
69.07077	4.4
70.62001	2.6
71.04999	4.9
72.10294	0.7
73.02892	1.3
73.49010	0.7
79.05498	13.4
81.03421	31.8
81.06590	1.1
81.07060	19.0
83.04993	7.7
83.08620	14.0
85.02435	1.3
85.02910	14.8
85.06577	1.8
91.03964	2.1
91.05480	18.2
93.07048	12.3
95.04978	14.0
95.08620	8.8
97.02893	4.9
97.06543	2.6
97.10160	3.5
99.04417	1.1
105.07043	10.3
107.04955	4.9
107.08590	6.6
107.81763	0.7
109.02860	1.8
109.06517	3.2
109.10161	49.1
110.10549	0.8
111.04438	3.2
111.08090	7.7
113.06020	1.4
117.07014	2.0
119.08579	14.5
121.06508	1.4
121.10152	5.8
123.07994	1.1
125.09622	1.6
127.03915	1.8
129.07045	5.2
130.33199	0.8
131.08580	5.9
133.06477	1.6
133.10139	4.9
135.11661	2.2
137.09608	3.2
142.07857	1.0
143.08504	1.0
145.10135	2.0
147.08037	2.2
147.11723	7.5
149.09610	3.3
155.10683	4.4
157.10152	6.2
163.11130	1.3
165.12767	1.7
173.04495	1.1
173.11763	10.3
175.11206	7.3
193.12259	20.8
194.12653	1.0
211.13306	40.7
227.12947	1.0
229.14357	62.0
267.15891	15.3
277.21643	2.2
285.17007	29.9
335.98325	0.8
403.24680	1.4
421.25809	14.5
439.26935	100.0
440.27274	2.4
475.26834	1.1
524.24384	0.9
637.31982	3.1
639.93103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.4
57.80493	0.2
60.98263	0.2
67.05520	0.9
69.07056	0.4
71.15979	0.4
77.68443	0.2
79.05491	0.5
81.03395	0.2
81.07043	0.7
91.05473	0.4
93.07053	0.2
95.08596	0.5
98.98470	2.8
105.07024	0.4
109.10143	0.3
118.06557	1.4
119.08598	0.3
121.06534	0.3
125.00005	6.3
132.08070	0.6
133.08839	0.3
133.10234	0.2
139.83383	0.2
144.08080	9.2
144.15829	0.2
145.08846	0.2
146.09628	0.4
158.09637	4.0
159.10460	1.4
160.11201	0.9
172.11205	2.9
173.11957	0.5
176.14345	10.1
184.07314	0.5
186.12810	0.3
202.15910	88.5
203.08858	0.2
203.16257	1.0
220.16972	9.1
221.17360	0.2
291.91977	0.2
297.83908	0.2
300.13593	100.0
301.14056	1.6
374.17529	0.2
396.79810	0.2
406.60034	0.2
509.27646	0.2
576.23383	0.3
618.39471	1.2
636.25433	0.5
636.40234	2.7
637.26343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04700	0.7
51.02375	0.9
53.03941	1.5
55.01850	0.7
55.05486	0.9
60.90238	0.7
64.12956	0.7
64.82921	0.7
65.03951	3.4
67.05492	2.9
69.03424	1.9
71.50996	0.8
79.01862	4.5
79.05496	6.1
80.05019	1.3
81.03405	3.2
81.05798	2.1
81.07030	0.8
82.06593	1.2
83.04980	1.1
85.02891	2.0
92.05010	5.6
94.06535	1.5
95.04929	0.9
96.08147	5.6
97.02884	1.8
106.06563	38.8
107.01327	0.9
108.08125	44.9
109.02867	2.2
113.67493	0.7
118.82839	0.7
122.06029	2.3
123.06815	8.1
124.07597	30.8
125.02336	2.0
127.03919	1.6
134.05005	1.3
134.06021	26.7
136.07596	8.2
137.08388	3.3
139.03836	0.7
143.03384	4.0
152.07076	73.6
153.01842	100.0
153.02898	5.4
153.07907	1.2
154.02162	1.2
154.08559	0.8
165.22916	0.8
169.71010	0.8
170.08138	34.9
171.02911	1.0
173.64177	0.6
210.35199	0.7
230.08157	1.8
231.71335	0.8
258.07654	5.5
259.08392	6.3
260.09158	2.6
268.05966	1.0
273.06281	1.2
274.07098	3.9
286.07138	6.6
288.08426	0.8
297.06079	2.2
304.08206	5.9
305.02972	5.3
314.12357	19.4
421.98813	0.9
448.12521	3.2
466.13409	14.1
484.14368	6.1
618.14557	26.0
636.15613	61.1
637.16632	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35852	1.6
51.02363	2.0
53.03953	14.0
55.01869	9.2
55.05513	27.4
57.03441	9.0
61.02900	1.9
65.03936	6.3
67.05509	60.0
67.16327	1.6
69.03432	21.8
69.07073	11.9
70.91621	3.4
71.04990	7.0
79.05498	72.6
81.03423	100.0
81.07059	57.3
83.04986	24.8
83.08620	18.5
84.30535	1.7
85.02908	17.5
85.06549	3.2
91.05486	74.6
93.07047	62.6
95.04974	30.9
95.08609	28.3
97.02904	18.6
97.06523	7.3
97.10176	4.8
99.04463	3.3
99.08041	2.3
101.10378	1.6
103.05460	3.5
105.04565	2.0
105.07037	44.1
107.04956	16.3
107.08611	17.3
109.02863	15.7
109.06538	9.4
109.10172	8.2
111.04433	12.5
111.08076	9.5
115.05457	4.3
117.07018	14.7
119.08582	36.7
121.06517	5.0
121.10113	13.6
123.04458	1.8
123.08087	8.0
123.11729	2.7
125.09636	4.5
127.03902	8.6
128.06216	5.4
129.07034	26.3
131.04987	3.2
131.08572	12.2
133.06500	6.7
133.10136	14.2
135.08113	2.8
135.11711	3.3
137.09660	2.6
141.06958	2.7
142.07817	3.3
143.08586	10.1
145.06477	4.4
145.10112	14.5
147.08069	6.1
147.11697	31.4
149.09659	4.7
153.12808	3.0
157.10107	11.8
159.08110	3.5
159.11719	4.1
161.06003	2.3
161.09610	3.9
161.13327	10.5
163.11218	7.2
165.12790	4.1
169.10147	2.8
171.07970	3.2
171.11696	17.1
173.04497	4.6
173.09634	1.9
173.13200	1.9
175.11218	8.2
181.12311	3.7
185.09618	2.0
185.13257	2.5
189.11258	3.9
189.12819	8.5
191.10733	5.3
193.12242	32.0
207.13826	28.0
209.11725	1.8
211.13298	37.5
227.12823	6.9
259.16873	2.1
267.15952	13.1
269.15347	3.1
279.15814	1.8
281.17499	19.0
285.17010	5.1
287.16489	5.3
297.07126	1.9
337.16577	4.2
355.17291	10.9
411.20395	6.3
433.27490	2.8
439.76575	2.3
473.29059	13.5
491.29974	14.1
599.32202	2.6
617.32849	8.6
635.34308	83.5
636.34985	2.7
646.80273	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	635.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
57.07077	1.1
61.88816	0.3
67.05502	1.3
69.07069	0.7
71.08636	0.5
79.05503	0.5
80.66982	0.3
81.03418	0.4
81.07066	1.5
85.02967	0.5
90.35511	0.3
91.05459	0.7
93.07050	0.7
95.08624	0.7
102.19039	0.3
102.97119	0.3
105.07046	0.5
107.08591	0.4
109.10172	0.8
113.00014	0.4
119.08621	0.5
135.11832	0.3
142.31029	0.3
150.81807	0.3
169.02689	0.4
221.10767	0.4
222.11568	0.4
229.53778	0.4
235.12276	0.5
236.13062	0.7
236.33511	0.4
300.15320	0.5
312.14832	0.5
325.45840	0.3
387.16125	0.6
388.16455	0.4
389.17661	1.3
390.19022	0.5
401.17960	0.8
402.18634	1.3
403.19266	2.5
404.20163	0.9
405.20947	1.5
415.19730	0.7
416.15720	0.7
416.20505	1.0
417.16312	0.6
417.21457	3.2
418.22058	1.8
419.22372	1.9
429.16611	0.5
430.18002	1.3
431.18179	5.9
431.23663	0.6
432.18832	1.5
433.24326	3.2
443.18466	0.7
444.19156	0.9
445.19934	7.4
446.20581	1.7
447.21976	1.2
458.21155	0.9
459.17490	1.5
459.22037	2.9
460.22690	3.7
461.23880	3.4
473.20007	1.8
474.19861	0.5
475.21381	1.6
477.22864	0.4
487.25281	1.1
488.22144	3.0
489.22867	5.6
491.24664	0.4
501.22852	1.2
505.22467	1.1
505.38745	0.4
515.24310	0.9
517.22443	0.9
518.23401	0.7
519.21954	0.5
519.27411	0.5
523.39825	2.5
531.36566	1.5
532.24908	1.0
533.22101	0.7
547.27576	5.6
575.26587	20.4
576.26685	1.2
603.26086	0.6
607.29034	1.2
635.28656	100.0
636.28894	3.8
649.10291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
54.70562	0.8
55.01864	3.8
55.05510	17.8
57.03428	5.7
57.07057	2.3
58.74060	0.8
59.04992	3.2
65.03935	3.7
67.05506	100.0
69.03433	33.1
69.07068	13.8
69.29540	2.4
69.29951	6.2
71.05001	4.9
73.02930	1.1
79.05495	32.5
79.05964	1.8
81.03417	24.1
81.07059	46.3
83.04993	7.0
83.08620	12.4
85.02911	6.7
85.06532	3.3
87.83124	0.9
90.73264	0.9
91.05481	33.6
93.07047	38.6
93.07642	1.9
93.24294	0.8
95.04973	12.6
95.08611	29.4
97.02917	5.4
97.06541	4.1
97.10168	7.3
99.04431	2.3
99.08051	2.0
103.05441	2.0
105.04520	1.4
105.07031	28.8
107.04937	4.8
107.08599	24.7
108.46096	1.0
109.02888	4.3
109.06506	6.5
109.10158	56.8
110.22394	0.9
111.04438	6.5
111.08067	3.7
113.05999	1.0
115.05464	2.1
117.07032	13.7
118.28076	0.9
119.04990	1.1
119.08585	22.0
121.06503	3.6
121.10149	13.4
123.08069	6.0
123.11723	3.1
125.06004	1.8
125.09634	6.1
127.03926	2.9
128.06242	2.8
129.07005	9.8
131.04918	1.3
131.08563	18.2
133.06522	4.2
133.10136	15.4
135.08098	4.9
135.11684	8.6
137.05984	1.1
137.09648	6.3
139.11169	1.1
141.07028	4.0
142.07768	2.9
143.08586	11.4
144.09360	1.3
145.06523	3.0
145.10121	15.5
147.08060	4.8
147.11682	10.0
149.09634	4.3
149.13281	4.3
151.07567	3.0
155.08556	4.8
155.10701	2.8
156.09361	1.4
157.06470	1.2
157.10127	8.6
159.08063	3.7
159.11702	10.4
161.05998	1.4
161.09647	4.4
161.13290	4.6
163.07631	1.7
163.11208	3.4
163.14873	1.4
165.09171	3.0
165.12753	1.1
167.08511	2.1
167.10690	1.6
169.10124	5.0
171.07933	2.2
171.10493	1.2
171.11679	6.2
173.09697	3.0
173.11758	12.7
173.13293	6.7
175.11153	4.7
175.14835	2.1
177.09126	1.3
177.12788	2.3
179.08672	1.1
179.10716	1.6
181.10118	2.3
181.12166	1.0
183.08093	1.1
183.11703	4.2
185.09596	1.6
185.13196	5.0
187.11191	3.6
187.14873	3.5
189.09351	1.0
189.11237	3.2
189.12650	1.6
191.10602	1.0
191.14359	1.4
195.11717	3.9
197.09682	1.3
197.13300	4.1
199.11298	2.3
199.14854	2.2
201.12784	2.0
203.14383	1.8
207.13898	1.7
209.09879	1.4
209.13327	1.7
209.15269	1.3
211.11197	1.4
211.14896	2.6
213.12808	2.6
213.16440	1.6
215.14307	1.2
216.27310	1.0
221.13524	1.7
221.15308	6.2
223.14827	1.7
225.16478	1.2
227.12692	1.6
227.14590	1.3
229.14337	18.4
229.16525	1.2
233.15401	1.8
239.14333	1.4
243.21146	1.8
245.13731	1.5
247.17049	1.3
259.20636	2.5
261.15100	1.0
261.22208	2.8
264.24295	1.0
269.19000	1.0
271.20599	1.4
273.22171	2.0
277.21692	2.4
285.22208	1.5
286.19409	1.8
289.21637	1.4
291.23154	1.1
299.15036	1.1
301.21704	5.1
303.23242	2.2
313.21603	1.4
315.23111	1.7
319.22873	2.7
327.23099	2.2
341.24854	3.4
345.24371	1.7
351.23080	5.5
353.24860	2.7
355.17679	2.6
357.24237	1.1
359.25992	1.5
369.24261	8.3
371.25818	1.3
387.25281	4.4
405.26379	1.6
443.28156	2.7
447.86795	1.3
461.29083	4.3
489.35840	2.5
501.35202	1.1
559.36176	1.7
597.38123	5.4
615.39044	6.7
633.40063	41.5
634.40460	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	631.1298
Annotation	Isorhamnetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01591	0.2
51.02387	0.5
53.00312	0.2
53.03935	0.2
53.74066	0.1
55.01878	0.3
57.03446	0.2
61.02938	0.3
67.05503	0.2
69.03432	8.5
69.07066	0.2
69.98765	0.4
69.99181	0.3
70.06596	0.3
79.01857	2.9
81.03419	0.5
81.07064	0.3
83.04913	0.1
84.08179	0.3
85.02913	0.6
87.00817	0.2
91.05474	0.3
93.07082	0.2
95.04938	0.2
95.08635	0.2
97.02904	2.5
99.04455	0.4
103.05441	0.2
105.07052	0.3
107.01314	0.7
107.04942	0.2
109.02879	1.0
119.04955	0.2
119.08572	0.2
121.02875	0.3
123.00811	0.2
123.04448	0.4
125.02357	2.1
127.03924	5.0
129.86015	0.1
131.04921	0.5
133.02911	0.2
135.04367	0.1
137.02403	0.8
137.03352	0.2
137.06018	0.2
139.03911	0.4
143.03409	3.8
145.04915	0.2
147.04436	0.7
149.09714	0.2
151.03934	0.3
153.01839	100.0
153.02864	5.0
154.02177	1.0
159.04410	0.8
161.05998	0.2
163.03903	1.5
165.01863	0.2
165.05513	0.3
167.03415	0.7
171.02924	1.3
175.03894	0.2
177.05492	0.5
179.03413	1.5
179.07054	0.2
181.01357	0.7
183.02882	0.2
187.03958	0.5
191.03436	2.2
193.01530	0.1
193.05043	0.3
195.02927	0.3
197.00810	0.2
205.04996	1.2
207.02902	1.8
209.00851	0.2
209.04466	0.9
215.03433	0.3
219.02959	0.6
221.04433	0.6
223.02419	0.3
223.05981	0.1
230.36559	0.1
233.04469	2.2
235.02370	0.1
237.03963	3.0
238.19838	0.1
240.50954	0.1
243.02843	0.2
243.06525	0.8
249.04030	0.3
251.05557	0.5
261.03909	0.6
261.07455	0.1
267.05066	0.3
271.06152	0.4
274.04675	0.9
279.05078	1.0
287.05621	0.3
288.06250	0.2
297.06088	4.1
302.04236	0.4
312.27954	0.1
315.07126	4.8
317.06577	22.1
318.06976	0.4
359.07623	0.7
589.62952	0.1
627.50830	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	630.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77654	1.6
53.03933	5.0
55.01868	2.9
55.05513	21.6
57.03423	7.7
57.07066	3.5
59.04988	2.1
65.03936	5.6
67.05509	74.1
69.03423	3.1
69.06796	1.8
69.07072	16.9
69.82007	1.6
71.04996	32.6
71.08646	8.5
73.02843	1.7
77.03919	2.5
79.05491	45.1
81.03413	5.8
81.07059	100.0
83.04983	13.1
83.08625	14.3
85.06554	8.2
91.05486	49.9
93.06481	3.6
93.07049	52.6
94.07374	2.5
95.04980	11.9
95.08612	25.9
97.06532	12.3
97.10155	6.2
99.08073	7.6
102.36953	1.7
105.07021	25.3
107.04941	3.7
107.08612	26.9
108.08919	2.2
109.06515	5.5
109.10168	15.9
110.10546	1.8
111.08070	6.1
115.05471	3.1
117.07007	10.3
119.08599	11.8
121.06459	3.4
121.10161	14.8
123.08053	4.0
123.11716	12.3
125.09624	5.0
126.73382	1.7
129.06978	4.5
131.08592	12.6
133.10143	25.9
134.10580	2.2
135.08043	3.2
135.11722	10.2
137.09460	2.0
139.11168	1.9
145.10083	5.7
147.11678	7.2
149.09578	3.2
149.13292	12.3
151.07481	1.8
151.11209	15.1
157.10098	3.2
158.10449	1.7
159.11694	11.3
161.13263	5.5
163.11162	6.4
165.12747	2.6
169.10097	2.5
173.13298	3.2
175.09666	2.4
175.11223	3.1
177.12767	5.2
179.14420	3.3
183.13829	7.1
187.13292	2.4
193.12250	2.5
195.13850	6.6
199.14824	2.0
201.14946	2.1
225.14819	2.4
227.12738	3.8
259.20438	2.4
267.15976	3.7
269.17480	8.9
273.18906	2.1
275.19916	1.8
277.21579	7.2
301.20056	17.6
351.25259	9.4
419.27621	2.1
437.28958	16.9
451.30576	21.5
463.30344	11.9
495.33252	71.6
516.37231	3.1
519.36975	23.1
545.37762	5.2
577.40735	5.0
612.46399	4.7
630.47510	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	630.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.4
55.01868	2.9
55.05518	17.5
57.03450	6.9
57.03674	1.4
57.07064	1.8
57.78872	1.2
65.03947	3.1
67.05508	76.9
69.03427	2.2
69.06740	1.5
69.07073	19.8
69.32256	8.2
71.05000	41.2
71.08638	8.1
79.05499	42.0
79.85166	1.2
81.03410	4.8
81.07064	100.0
83.05000	12.4
83.08623	16.9
85.06550	9.9
87.04486	1.7
89.10728	1.4
91.05490	52.5
93.06487	2.5
93.07052	50.1
95.04977	11.7
95.08617	24.6
97.06545	14.5
97.10171	3.3
98.21581	2.6
99.08098	8.6
105.04505	2.0
105.07042	26.3
106.07312	1.3
107.08603	26.6
109.06534	5.4
109.10157	10.9
111.08092	5.0
113.09676	1.8
115.05516	2.2
117.07015	12.1
119.08590	8.6
121.06506	4.3
121.10139	14.1
123.08073	3.0
123.11719	15.9
125.09589	3.1
125.70634	1.2
129.06989	3.4
131.08600	12.7
133.10147	27.5
135.08073	3.5
135.11714	10.0
137.09631	1.7
139.11191	2.3
143.08563	2.4
145.10147	4.4
147.11685	4.8
149.09692	1.9
149.12222	1.5
149.13278	14.9
151.11188	16.2
157.10143	2.9
159.11714	11.2
161.13269	4.5
163.11201	5.9
167.10703	1.3
169.12311	1.8
171.11661	2.3
177.12735	5.9
179.14284	4.0
180.23398	1.3
183.13811	6.6
187.13281	4.6
187.14795	1.6
195.13805	7.5
209.13196	1.4
221.15363	1.9
225.14806	2.3
227.12785	4.3
230.54767	1.3
233.15582	1.4
243.15952	2.5
251.16402	3.6
257.17627	2.4
259.20624	2.3
267.15970	1.9
269.17554	8.5
273.94257	1.8
277.21725	9.4
283.19080	2.0
301.20090	16.5
333.24219	2.5
351.25278	10.7
419.27576	2.6
437.29047	20.9
451.30557	25.9
463.30713	13.5
491.71500	1.4
495.33209	78.4
496.33194	2.4
501.35696	2.8
519.36914	27.6
533.38397	2.6
545.37976	4.5
574.83771	1.4
577.40729	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	630.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20329	3.1
51.58323	3.1
53.03936	8.7
55.01881	15.7
55.05515	47.0
57.03439	24.2
57.07062	7.1
65.03933	6.7
66.39700	3.0
67.05509	100.0
67.92738	3.0
69.03439	7.3
69.07066	29.2
71.01351	6.7
71.05001	6.5
71.08632	24.3
73.02920	3.2
79.05494	76.1
81.03422	48.8
81.07061	95.3
82.04219	4.4
83.04984	23.2
83.08630	32.4
85.02900	11.8
85.06537	6.7
91.05488	74.9
93.07051	78.6
95.04971	27.6
95.08619	48.3
97.02933	4.8
97.06565	15.7
97.10165	11.8
98.81249	3.0
99.08099	22.8
105.07037	49.1
107.04961	11.9
107.08608	37.1
108.77451	2.9
109.06514	13.0
109.10185	30.4
111.04427	4.2
111.08115	10.8
112.72227	2.6
113.09530	3.2
115.05435	4.7
116.04720	5.2
117.07021	20.0
119.08601	36.4
121.06545	7.4
121.10165	25.9
123.08070	12.9
123.11705	5.0
125.09631	22.5
129.05470	10.2
129.07010	13.6
131.08577	26.9
133.06459	5.1
133.10141	24.4
135.08054	9.2
135.11705	17.7
137.09608	8.0
139.11143	7.3
143.08554	5.6
145.10120	14.2
146.72260	3.5
147.08026	4.7
147.11731	14.4
149.09616	11.4
149.13280	9.6
151.11198	21.5
155.08626	4.3
157.08630	3.9
157.10130	13.6
159.11699	9.8
161.13316	6.8
163.11203	19.8
165.12814	6.9
169.12254	3.3
173.11757	5.0
173.13338	3.6
175.11220	13.1
177.12758	4.2
179.14355	9.0
181.10152	3.5
181.12303	3.6
189.11227	6.7
193.12239	25.4
195.13863	7.4
199.13319	6.2
209.11681	4.4
211.13318	29.6
227.12790	9.5
229.14365	3.6
233.15479	3.6
253.14439	3.9
255.15805	4.9
267.15887	14.5
269.17490	15.5
277.21735	16.2
285.17026	19.4
301.16483	34.0
351.25302	29.2
383.24445	5.8
463.30814	5.1
479.29858	6.0
495.29611	29.8
559.36737	4.2
561.37653	5.6
577.37219	7.2
581.36371	3.0
630.41833	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.6
53.03936	8.8
54.15635	2.2
55.01859	6.8
55.05275	2.8
55.05515	38.1
57.03451	10.3
57.07076	9.3
57.33670	1.7
65.03924	4.8
67.05506	100.0
69.03419	5.2
69.07067	41.3
71.04971	3.6
71.08627	17.6
71.52446	2.9
79.05495	63.9
80.05843	2.0
81.03412	6.6
81.07057	99.3
83.04984	10.2
83.08624	27.6
85.06524	5.0
85.10184	3.6
91.04916	2.8
91.05483	58.9
93.07049	66.9
95.04960	11.9
95.08607	65.3
97.06521	9.7
97.10175	14.6
99.08127	12.1
105.04516	3.4
105.07035	43.4
107.04952	7.3
107.08601	42.9
109.06513	8.1
109.09491	2.3
109.10166	29.9
111.08038	4.8
113.00018	4.1
113.09604	2.9
115.05485	1.9
117.07012	14.9
119.08582	36.9
121.06464	5.4
121.10150	24.1
123.08045	6.1
123.11719	12.6
125.09601	3.7
128.06210	2.5
129.07011	7.6
131.08568	21.9
133.06480	2.2
133.10124	22.1
134.05962	1.8
135.08031	6.7
135.11696	20.0
137.09579	2.7
137.13275	3.6
139.11189	4.0
143.08551	7.9
145.10124	18.6
147.08119	2.0
147.11688	21.0
148.56882	1.8
149.09650	4.4
149.13278	12.6
149.21657	2.2
151.11118	2.2
151.14809	2.3
155.08582	2.3
157.10144	7.5
159.11711	16.0
161.13235	11.6
163.11188	4.8
163.14803	5.4
165.09024	2.4
165.12737	3.6
169.02603	3.2
169.10150	4.2
171.11667	9.0
173.13268	9.0
174.13474	1.9
175.11201	3.5
175.14827	3.7
177.12723	4.6
179.14235	4.2
181.12305	3.3
183.11732	3.4
185.13310	4.2
187.14818	4.7
189.12776	4.5
199.14757	2.0
205.15842	2.9
207.13582	1.9
213.16492	2.5
215.18008	2.7
223.13293	3.2
227.12714	3.9
237.22061	3.1
241.19495	3.3
243.21202	2.2
251.72055	2.2
257.18964	2.3
259.20590	6.0
261.22040	4.0
273.18484	4.2
275.20087	16.9
277.21625	8.5
279.23132	7.5
291.19534	15.1
293.20984	6.7
333.24146	3.8
335.25787	3.7
337.27356	9.0
349.23740	6.2
351.25311	2.0
353.26923	3.4
368.62100	2.3
403.60629	2.0
414.54437	2.0
517.38904	58.5
518.39038	2.9
519.42285	2.6
529.38727	10.1
531.40497	21.3
557.41901	5.8
611.46649	18.6
629.47632	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56927	2.0
51.02399	2.4
51.79136	1.8
53.03936	5.8
54.99681	2.0
55.01873	4.9
55.05511	16.7
57.03442	8.1
57.07071	7.4
65.03947	4.0
67.05509	59.4
67.99132	2.0
69.07076	22.1
69.15858	3.7
69.16261	20.7
71.04993	3.9
71.08644	31.7
71.11687	2.0
76.92641	2.3
79.05501	48.4
81.07061	59.7
82.07407	2.5
83.04999	4.4
83.08632	16.6
85.06563	4.2
89.06026	3.3
91.05489	37.1
93.07056	55.9
95.04990	12.5
95.08620	41.4
97.06543	5.0
97.10178	7.2
99.08099	17.8
105.07045	33.5
107.04984	5.0
107.08598	33.0
108.56797	2.0
109.06554	5.8
109.10161	18.7
111.08067	3.0
113.09682	2.0
116.98380	2.4
117.07024	15.1
119.08588	20.1
121.10152	26.5
123.08072	3.2
123.11768	6.4
125.09623	2.8
129.07051	6.3
131.08585	18.8
133.10133	16.7
135.08061	3.5
135.11697	24.5
137.09578	2.7
143.08607	7.3
144.77292	2.2
145.10161	11.7
147.11687	11.4
149.13301	9.2
151.11179	10.5
155.08617	2.5
157.10204	6.1
159.11659	10.3
161.13268	10.7
163.11264	3.8
163.14804	5.0
169.10124	3.5
171.11812	6.4
173.13287	5.4
175.14905	3.0
177.12857	2.7
177.16454	3.0
179.14325	22.8
185.13324	3.6
187.14990	2.7
197.13246	3.0
199.14973	3.2
241.19582	3.2
243.21220	7.2
259.20758	3.3
261.22156	12.8
262.72012	2.2
275.20111	5.8
277.21692	26.8
291.19476	11.4
295.22900	3.5
317.24893	3.5
335.25876	28.1
337.27161	3.7
351.25208	22.1
407.18976	3.3
408.19360	3.1
409.20157	5.1
421.20529	4.2
423.21924	8.5
435.22318	3.9
439.36395	2.6
461.23633	3.8
467.20978	4.3
477.23016	2.6
478.23477	2.8
482.23389	4.4
495.23929	4.1
508.24655	8.3
509.25916	12.3
510.26147	9.3
511.27243	10.5
513.39917	4.4
515.37518	3.9
517.38757	7.5
519.23785	3.2
519.42035	3.8
522.22913	3.0
531.40582	8.2
537.24969	20.5
537.43170	2.8
538.25696	4.8
541.24677	7.1
542.28986	4.0
554.25745	3.5
569.27826	25.0
597.27136	44.1
598.27386	3.7
601.30182	3.8
611.46710	48.8
629.29822	100.0
629.47345	26.7
630.29980	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	629.4757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.1
57.07064	1.9
67.05508	3.3
69.07049	2.3
71.50539	2.6
79.05508	2.4
81.07059	3.9
83.08652	1.6
85.10184	2.1
89.06026	1.8
91.05461	1.5
95.08624	1.9
110.63074	1.4
119.08607	1.6
133.08548	1.6
135.78735	1.7
135.85596	1.4
136.03979	2.4
145.37253	1.3
225.98175	1.4
317.20953	4.2
373.23633	4.1
629.38696	4.2
629.47528	100.0
630.47827	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	629.478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.9
53.03950	9.3
54.00329	2.4
55.01883	11.7
55.05516	49.7
57.03440	12.5
57.07080	16.2
59.04990	2.9
63.92793	1.9
65.03950	4.9
67.05509	100.0
69.03443	1.8
69.07072	41.8
69.15561	21.7
70.31564	1.7
71.04990	7.6
71.08633	28.5
75.04469	2.9
79.05499	63.1
79.35938	2.0
80.05775	2.6
81.03426	5.7
81.07063	92.7
82.07399	2.5
83.04967	9.5
83.08625	25.5
85.06547	8.3
85.10199	5.7
85.42998	1.6
87.04475	4.4
89.06021	4.3
91.05485	54.5
91.06025	3.7
92.05784	2.2
93.07049	69.5
95.04978	10.6
95.08614	74.7
97.06545	7.9
97.10187	12.4
99.08098	18.5
103.05506	2.4
105.07037	56.7
107.04956	4.7
107.08598	41.9
109.06535	6.6
109.10162	36.2
109.46474	2.2
111.08096	7.5
113.09689	5.8
117.07030	25.9
119.08586	49.1
119.09369	3.6
120.08996	2.0
121.06516	4.6
121.10150	25.7
123.08080	4.2
123.11723	12.0
125.09646	7.4
128.06265	4.3
129.06996	16.1
131.08580	40.1
133.08632	2.4
133.10152	26.6
135.08119	5.9
135.11682	17.1
137.09630	4.0
137.13307	4.7
139.11180	3.7
141.07008	5.4
142.07814	2.8
143.08554	18.8
145.10138	34.9
147.11693	21.5
149.09602	4.4
149.13319	10.6
151.11247	5.1
151.14890	2.0
155.08583	10.8
157.10123	15.4
159.11703	17.5
160.05260	2.2
161.13263	16.4
163.11214	2.3
163.14886	7.0
165.12761	6.9
165.64073	2.4
167.08456	2.7
169.10117	11.3
171.11688	14.2
173.11865	3.5
173.13292	15.0
175.14825	11.7
177.12817	4.4
179.14420	2.6
180.39546	1.8
181.10196	4.9
183.11737	10.0
185.13257	12.4
187.13422	2.8
187.14839	11.9
189.16429	3.6
191.14322	3.6
191.18196	2.7
193.10185	2.7
195.11876	2.2
197.13312	7.4
198.13789	2.6
199.14850	11.5
201.16483	6.7
203.18016	2.3
209.13214	4.5
211.14919	5.8
213.16420	6.2
215.18054	3.7
223.14983	3.6
225.16426	3.8
227.12820	2.4
227.17982	4.2
229.19589	4.0
231.21103	3.6
237.16397	3.1
241.19640	4.4
243.21109	4.3
247.20607	3.3
257.22882	3.0
259.20642	3.8
261.22244	6.3
265.21793	5.0
271.24149	2.0
273.18701	2.6
273.22168	4.7
275.20062	3.1
277.21643	9.0
285.22144	4.1
287.23541	2.9
303.23074	2.2
315.23257	3.0
335.25937	4.7
339.25421	2.7
351.25305	2.9
351.61673	1.9
357.31784	2.3
383.33249	2.7
407.33334	2.5
423.32599	4.4
425.34155	4.6
437.33856	2.2
441.33755	2.0
443.35193	2.4
457.37134	3.4
499.38379	4.5
503.37347	2.5
513.39587	4.3
515.37280	36.6
519.42017	9.3
529.39008	12.4
531.39618	2.2
537.43097	11.2
543.40704	7.1
555.44122	13.3
593.45203	4.2
606.91321	2.2
611.46655	59.9
612.47205	4.0
629.47803	86.5
630.47894	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	629.2727
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
50.45392	1.2
67.91226	1.1
69.34705	8.9
72.19179	1.1
79.72007	1.2
89.06046	4.3
96.25058	1.3
97.21691	1.2
133.08617	4.3
191.73201	1.1
199.10605	1.2
207.54309	1.3
429.33258	1.3
478.14215	1.2
527.08148	1.3
559.45746	1.5
629.27356	100.0
630.27802	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2247
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.05533	1.1
62.40933	0.5
67.05500	2.9
69.86194	2.8
79.05533	2.0
81.03442	1.4
81.07105	2.1
91.05514	1.2
93.07081	1.8
95.08620	0.9
97.06609	0.6
105.07078	2.0
107.08648	1.0
109.06546	0.9
109.10233	0.7
119.08652	1.7
121.10245	1.1
131.08623	1.0
133.10173	0.9
135.08154	0.6
135.11771	0.7
145.10170	0.6
157.10139	0.8
167.10712	0.9
170.35326	0.5
182.11075	0.5
221.15343	0.9
222.14075	0.5
233.15204	0.7
242.01961	0.5
396.12314	1.8
397.12817	2.9
398.13763	1.5
399.14438	1.2
400.15381	0.8
409.13019	1.2
410.13751	4.0
411.14523	6.1
412.15326	5.2
413.16165	4.7
423.14780	1.6
424.10825	1.2
424.16171	2.8
425.16400	18.6
426.17023	8.6
427.17770	3.3
428.18518	3.4
429.19336	1.1
437.16147	0.8
438.12302	3.3
438.18356	1.0
439.13617	21.8
440.19165	7.6
441.19360	41.1
442.19980	2.6
451.13913	1.3
452.14227	4.0
453.15405	25.4
454.15646	4.9
455.01666	0.6
455.16733	0.7
456.18008	0.8
465.16049	0.8
467.17221	28.4
468.17914	21.4
469.18863	10.5
470.19836	1.1
471.16614	1.6
472.17435	1.6
481.14478	8.9
482.15817	1.7
483.16623	0.8
484.21161	2.8
485.18317	0.9
485.22177	0.8
486.18430	0.7
495.18088	1.1
495.19647	1.1
496.17242	10.7
497.18265	1.7
498.18991	1.7
499.19864	1.4
500.20636	4.3
509.18192	1.1
510.18539	0.9
512.20569	2.4
513.21918	4.6
514.22430	0.9
523.19629	1.8
528.20032	0.9
541.20886	46.9
542.21185	2.6
553.20740	0.8
569.20337	100.0
570.20386	6.1
573.23853	3.0
583.22229	1.0
597.19794	28.7
598.19843	1.8
600.22089	1.7
601.22961	13.3
615.20563	0.7
629.22345	65.6
630.23065	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	628.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49179	0.8
53.03936	0.7
55.05510	2.8
56.33606	0.7
57.03433	4.1
59.70320	0.8
61.02926	3.8
67.05505	17.4
69.03418	1.0
69.07071	6.3
70.06570	0.8
71.02956	1.8
71.04981	1.3
73.02909	2.1
79.05497	8.4
81.03404	1.4
81.06593	1.5
81.07056	23.2
83.04973	2.2
83.08629	4.9
85.02911	6.4
85.06524	1.6
86.09715	1.1
91.03970	4.1
91.05476	4.2
93.07043	17.8
95.04947	1.0
95.08621	5.3
96.08183	1.0
97.02892	3.1
97.06534	3.9
99.08099	1.6
105.07025	2.1
107.08597	9.4
109.10143	1.7
111.08047	3.3
115.03892	1.0
117.07005	2.2
119.08607	0.9
121.10153	7.1
123.11671	0.9
127.03894	2.4
129.75526	0.7
131.08557	2.5
133.10129	3.1
135.08012	0.9
135.11671	4.7
145.04939	2.1
147.11702	1.1
149.13255	14.6
153.01845	1.9
159.11720	6.2
163.06062	1.9
169.47099	0.7
171.82211	0.7
177.05534	1.0
177.12764	4.0
195.13803	4.9
230.37788	0.8
269.17487	100.0
270.17810	1.4
287.96539	0.8
431.22852	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	628.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06606	0.9
53.31799	0.8
55.01853	0.8
55.05507	3.0
56.49563	0.8
57.03432	4.2
61.02930	5.0
64.09679	0.8
67.05511	15.0
69.03416	2.4
69.07061	4.0
70.06590	1.5
71.04989	1.6
71.50777	1.2
73.02912	1.3
79.05488	8.3
81.03436	2.4
81.07065	20.7
81.23195	0.9
83.04976	2.1
83.08598	4.2
84.08141	0.9
85.02898	5.8
85.06570	1.7
86.42776	0.9
91.03941	3.4
91.05469	3.8
93.07053	15.6
94.60749	0.8
95.04954	2.0
95.08607	5.3
96.08163	1.9
97.02887	4.0
97.06509	2.8
99.08018	0.9
105.07036	2.4
107.08601	10.6
109.02880	1.1
109.06549	1.3
109.10136	1.3
111.08071	2.3
117.07001	1.7
121.10134	4.7
125.05259	1.0
127.03896	2.4
131.08560	2.2
133.10115	2.2
135.11667	3.5
139.11139	1.0
145.04910	1.7
149.13272	14.5
153.01779	2.8
159.11713	5.2
163.06030	2.4
172.12383	0.8
177.12712	5.6
187.30550	0.9
195.13799	4.4
269.17499	100.0
413.21698	1.1
431.22937	2.1
466.11823	1.2
475.31635	0.9
480.77969	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.9
55.01864	18.0
55.05518	30.2
55.19462	4.4
57.03426	13.9
57.07076	6.2
67.05508	94.2
68.05821	16.1
69.03436	4.5
69.07070	32.3
71.04984	4.6
71.08624	14.7
71.30456	3.9
71.51765	6.4
75.04475	6.3
77.26564	4.2
79.05075	5.0
79.05502	75.7
80.05820	10.5
81.03425	48.0
81.06599	6.0
81.07056	100.0
82.07375	12.1
82.62080	4.0
83.04977	10.0
83.08622	26.7
85.06535	5.7
89.06018	5.0
89.41629	3.9
91.05492	74.5
92.05820	6.9
93.07048	77.6
94.07391	8.7
95.04992	29.2
95.08614	62.0
96.08945	8.2
97.06539	29.0
97.10146	13.5
99.08065	9.2
99.23138	4.3
105.04533	4.7
105.07037	57.4
106.07367	7.3
107.04946	16.2
107.08612	44.1
108.08936	7.6
109.06478	11.5
109.10182	34.8
110.10432	7.3
111.08080	6.6
111.44646	4.5
117.07012	19.0
119.08574	33.0
120.08929	7.7
121.10147	28.9
123.08125	5.1
123.11703	10.4
125.09685	6.5
129.07018	13.5
131.08575	23.7
133.10132	30.1
134.10461	6.9
135.11664	22.5
136.12088	5.4
143.08569	8.8
145.10133	22.4
146.10464	7.0
147.08061	5.6
147.11700	20.6
147.89993	3.8
149.09602	17.4
149.13248	8.2
151.11150	10.9
155.08591	7.3
156.75266	4.5
157.10150	12.9
159.11670	10.9
160.12112	7.7
161.13263	8.2
162.09361	3.6
163.11156	19.5
165.12814	6.8
171.11670	7.5
173.13309	7.4
174.13533	5.4
177.22566	3.9
179.14368	20.4
185.13268	4.2
187.14763	4.5
193.12192	4.9
205.12144	3.8
258.19580	5.1
267.15924	50.0
275.20026	21.9
276.20447	20.8
277.21539	23.9
278.22034	5.9
335.25702	14.5
336.26126	10.1
349.23679	8.8
350.24146	11.9
351.25296	17.5
536.41571	4.8
543.36786	69.5
610.45306	29.5
628.37585	6.3
628.47284	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	628.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
54.14219	1.5
55.01870	4.5
55.05513	21.7
57.03441	7.8
57.03678	1.4
57.07090	3.3
57.11495	1.6
57.38348	1.7
65.03942	4.1
67.05509	76.9
69.03433	4.2
69.07076	19.5
69.36258	3.2
69.36659	11.0
71.05000	36.9
71.08643	2.9
78.83369	1.4
79.05502	46.1
81.03426	6.4
81.07063	100.0
83.04986	11.5
83.08624	11.9
85.06538	6.6
87.04472	1.7
91.05489	50.9
93.07049	45.9
95.04985	11.8
95.08613	25.5
97.06535	13.5
97.10178	4.8
97.29050	1.4
99.08086	4.4
105.04553	1.8
105.07043	32.3
107.05004	7.4
107.08601	29.5
109.06525	6.3
109.10164	14.2
111.08096	5.1
115.05412	2.4
115.25666	1.5
117.07019	13.5
119.08583	17.3
121.06523	4.2
121.10149	14.1
123.08060	3.7
123.11720	17.2
125.09636	3.9
129.07021	4.4
131.08598	13.2
133.06592	1.6
133.10136	28.6
135.08116	1.8
135.11716	15.3
137.09637	2.1
139.11275	2.1
141.06958	1.6
143.08583	3.1
145.10153	9.4
147.11684	7.0
149.09637	6.4
149.13281	10.4
150.80345	1.8
151.11179	8.1
155.08496	1.7
157.10115	3.8
159.11700	10.7
161.13293	2.2
163.11198	9.4
171.11707	3.4
173.13322	3.0
175.11191	1.9
177.05417	2.5
177.12753	4.2
179.14359	2.3
183.11826	2.5
183.13826	7.4
187.13333	3.8
187.14861	2.5
194.50085	1.5
195.13817	5.9
225.56795	2.0
243.15976	3.3
255.15823	1.9
257.19272	2.6
269.17538	7.1
270.91052	1.7
275.20126	17.6
293.21109	4.4
301.20135	19.1
349.23834	11.7
419.28110	2.2
423.27698	10.5
437.29034	18.5
449.28967	12.0
451.30627	12.9
462.05811	2.0
463.30533	5.6
481.31601	4.5
495.33200	39.2
499.33975	3.3
517.35303	24.6
531.36676	2.0
543.36682	2.1
575.38965	5.3
610.45105	2.5
628.46399	6.1
629.22656	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	627.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25742	2.3
53.03938	6.9
55.01872	10.8
55.05515	50.7
57.03439	12.7
57.07068	3.9
65.03937	5.4
67.05511	100.0
69.03412	2.4
69.07071	38.3
70.82165	4.0
70.82507	3.4
71.04988	6.3
71.08627	9.2
77.03929	3.3
79.05499	70.4
81.03416	6.6
81.07063	98.6
83.04988	5.6
83.08614	24.3
83.57701	2.4
85.06548	5.0
88.07612	3.0
89.06020	2.2
91.05486	93.2
92.66999	2.1
93.06483	4.5
93.07050	65.9
95.04970	11.9
95.08616	79.9
97.06508	10.9
97.10184	11.8
99.08098	8.3
103.05472	5.6
105.04517	3.2
105.07044	72.7
107.04948	8.2
107.08614	31.5
109.06525	10.5
109.10157	23.7
111.08078	5.9
113.09661	2.8
115.05440	8.9
116.06222	6.3
117.07027	37.6
119.08594	43.6
121.06498	6.2
121.10155	25.4
123.08068	10.1
123.11706	8.7
125.09627	5.9
127.66319	2.1
128.06232	24.9
129.07014	32.1
130.07779	9.2
131.07602	5.2
131.08577	81.8
133.06482	4.0
133.10147	36.6
135.08046	5.7
135.11713	16.2
137.09624	5.0
137.13240	3.3
139.11188	3.7
141.07019	11.0
142.07729	5.5
143.08577	63.1
144.09326	3.4
145.06421	3.3
145.10139	80.7
147.08029	6.9
147.11690	18.7
149.09604	6.8
149.13234	8.3
151.11142	4.2
155.06139	2.3
155.08548	6.4
157.10156	25.4
159.08020	3.9
159.11711	20.1
161.09613	9.6
161.13268	10.1
163.11177	4.3
163.14825	3.1
165.07025	3.3
167.08603	4.2
169.10150	15.1
171.11693	19.3
173.09685	3.9
173.13283	7.4
175.11191	2.9
175.14864	5.2
177.12756	6.4
179.14351	14.7
181.10162	6.6
183.11687	12.4
185.13257	10.5
189.12741	2.7
195.11761	15.8
195.13342	3.4
197.13126	2.7
199.11179	2.7
209.13312	4.3
211.14842	3.9
213.12685	4.1
227.18002	6.3
237.16331	11.5
245.19070	6.9
255.17473	16.9
257.18951	3.6
259.20529	4.1
263.23743	3.2
273.18503	49.6
275.20126	17.3
277.21750	12.3
291.19485	6.0
335.25775	12.9
337.27383	60.4
347.22202	15.3
349.23511	4.9
394.81467	3.0
515.37512	3.4
529.39038	3.7
535.40894	3.2
609.45294	24.8
627.46429	23.8
627.66443	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.8
53.03953	8.6
53.15547	1.3
55.01874	17.0
55.05511	38.6
55.88852	1.5
57.03439	7.0
57.07075	2.2
61.56287	1.3
62.90115	1.4
65.03931	6.7
67.05508	88.0
68.05833	2.5
69.03422	2.7
69.07069	38.1
71.04992	8.6
71.08628	3.5
71.51408	2.5
73.06585	1.8
79.05496	80.0
80.12801	1.4
81.03416	7.6
81.07060	100.0
82.07373	2.8
83.04998	8.1
83.08624	15.4
85.06545	6.2
87.04472	1.9
91.04910	2.8
91.05482	58.5
93.07046	78.3
95.04969	12.1
95.08611	56.1
97.06531	23.2
97.10161	10.3
99.08081	5.1
103.05516	2.1
105.04509	1.8
105.07032	52.2
107.04959	11.3
107.08592	41.6
109.06519	12.4
109.10157	26.4
111.04502	1.6
111.08092	6.6
113.09645	2.2
115.05463	2.1
117.07024	18.4
119.08586	42.4
120.08929	1.7
121.06515	5.1
121.10145	33.5
123.08067	5.4
123.11700	11.0
125.09613	7.0
128.06258	1.7
129.07002	9.7
131.08592	26.5
133.06493	2.6
133.10135	29.5
135.08089	5.4
135.11703	17.9
137.09608	4.4
139.11247	2.0
141.07024	2.3
142.07855	2.3
143.08528	7.8
145.10130	23.1
147.08006	2.9
147.10544	1.6
147.11697	25.1
149.09650	16.8
149.13252	8.2
151.11218	4.5
155.08580	5.1
156.79117	1.5
157.10118	8.4
159.08076	3.2
159.11687	17.7
161.09590	2.7
161.13251	8.5
162.11295	1.4
163.11203	11.3
163.14838	3.4
165.09151	1.9
165.12825	2.9
169.10097	4.1
171.11699	8.5
171.34468	1.6
173.13213	12.1
175.11200	3.1
175.14862	2.7
177.12698	4.2
179.14377	4.3
181.10138	3.9
183.11711	5.8
185.13292	5.2
187.11259	2.0
187.14844	5.1
189.12680	2.4
189.16425	2.2
193.12221	1.8
193.15959	1.5
196.81268	1.6
197.13283	4.6
199.14859	3.6
201.16461	3.5
209.13263	1.9
213.16454	2.4
215.17914	2.1
217.15904	1.5
227.12811	4.7
229.19618	3.1
237.16476	2.4
239.17908	6.7
241.19617	2.3
243.20992	1.5
247.20534	3.4
254.65425	1.8
257.19058	8.0
259.20575	2.0
261.22110	5.6
267.15918	4.1
268.28336	1.5
275.17010	2.3
275.20062	47.8
277.21622	7.0
280.03311	1.4
291.19623	3.4
292.19958	4.0
293.21201	6.6
335.25815	37.4
349.23749	21.0
351.25275	2.4
378.63989	1.6
446.64413	1.6
515.37274	6.5
517.40320	3.7
520.34167	1.7
529.38922	3.7
534.35205	4.6
535.41498	4.8
553.43109	3.0
566.71637	1.6
609.45148	30.5
627.30518	2.2
627.46521	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48401	0.1
51.91104	0.1
53.03930	0.4
55.01860	0.4
57.03444	0.5
61.02935	0.9
65.03934	0.1
68.99782	0.6
69.03094	0.1
69.03433	1.9
70.06588	0.2
71.04981	0.3
71.49874	0.1
71.50326	0.1
73.02901	0.4
81.03423	1.2
83.01347	0.1
83.04933	0.1
85.02908	6.2
87.04470	0.2
90.93923	0.1
91.03944	0.3
93.03388	0.2
95.04919	0.2
97.02899	2.2
98.33199	0.1
99.04453	0.4
109.02886	0.9
111.00800	0.9
121.02889	0.9
123.04420	0.3
127.03910	1.2
135.04356	0.2
137.02350	3.2
137.03418	0.2
138.09195	0.1
145.04950	1.0
145.06120	0.2
145.06505	0.1
147.04436	0.1
149.02341	0.3
153.00583	0.2
153.01831	3.7
158.00644	0.1
161.05971	0.3
162.64308	0.1
163.03949	0.5
165.00549	0.2
165.01848	2.2
166.02608	0.2
167.05069	0.1
173.05978	0.3
177.05609	0.1
183.02878	0.9
183.04469	0.2
187.03917	0.3
189.05385	0.1
191.03456	0.2
195.02914	0.2
201.05460	1.7
205.05003	0.2
207.02852	0.1
213.05527	0.1
215.03392	0.2
219.02971	0.1
219.06522	0.3
228.04297	0.2
229.04974	4.2
239.03491	0.2
247.06058	0.8
257.04425	2.7
261.04187	0.1
274.04724	0.7
275.05432	0.3
285.03964	1.4
303.04990	100.0
304.05331	1.0
345.05789	0.2
465.10306	5.9
525.42126	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	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.0
55.01875	16.2
55.05270	2.5
55.05518	38.3
57.03425	7.5
57.07062	4.4
58.33624	1.6
59.04994	1.8
65.03939	5.3
65.06229	1.8
67.05512	95.4
69.03433	4.1
69.06725	2.8
69.07069	28.2
71.04982	6.0
77.03896	2.6
79.05500	76.8
81.03401	6.4
81.07065	100.0
82.07375	1.8
83.05010	8.6
83.08627	17.6
85.06528	4.9
90.41988	1.8
91.04906	2.3
91.05489	61.9
93.07050	73.5
95.04978	11.6
95.08619	55.1
96.08952	1.9
97.06536	21.3
97.10197	11.9
98.20811	4.3
99.08084	5.9
103.05422	2.2
105.04471	3.9
105.07037	52.9
107.04980	14.5
107.08611	45.4
109.06543	9.9
109.10173	33.3
111.08076	7.2
115.05467	2.7
116.06178	2.0
117.07040	21.1
119.08585	41.5
120.08994	1.9
121.06515	4.1
121.09323	2.7
121.10147	31.9
123.08075	6.4
123.11715	12.8
125.09624	9.8
127.86333	2.3
128.06230	2.3
129.07016	11.4
131.08575	30.0
133.06432	2.2
133.10150	29.4
135.08055	6.4
135.11708	22.1
137.09602	4.3
139.11143	2.9
141.06966	2.8
142.07794	2.6
143.08531	12.3
145.10147	29.7
147.11708	27.1
149.09634	20.8
149.13246	7.0
151.11153	3.7
155.08527	6.3
157.10136	13.2
159.11705	18.5
161.09499	2.6
161.13274	13.3
163.11182	7.9
163.14854	2.9
165.12782	4.4
169.10146	5.0
171.10486	2.0
171.11725	12.2
173.13289	15.5
175.14832	5.1
177.12767	3.9
177.93030	1.9
181.12190	2.0
183.11690	7.9
185.13287	8.7
187.11195	2.1
187.14790	4.6
189.11195	4.8
193.12444	2.4
195.11751	3.2
197.13264	4.7
199.14812	4.2
201.16437	2.3
213.16490	2.1
215.17833	2.1
219.13768	2.3
223.14886	1.9
227.12726	6.1
229.19540	4.4
229.66762	1.8
239.18063	2.2
241.19536	3.4
243.21057	2.3
247.20515	2.2
257.18967	7.3
259.20575	4.9
261.22113	4.9
267.15787	3.2
275.20102	51.8
277.21786	2.7
283.67432	2.0
291.19415	2.3
293.21075	5.9
311.23639	2.2
315.23257	2.2
335.25879	27.1
349.23758	19.8
351.25745	2.2
367.25021	1.9
392.13382	1.9
515.37384	3.3
517.40253	3.0
529.38733	2.2
535.41522	4.2
553.42358	4.1
609.45184	35.9
627.26154	2.7
627.37012	3.3
627.46313	58.8
628.46710	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	627.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.2
54.04452	0.2
55.01873	0.3
57.03427	0.3
61.02931	1.1
61.03640	0.2
63.36390	0.2
63.51046	0.2
64.65363	0.2
68.99800	0.5
69.03432	1.9
69.85690	0.9
71.05009	0.3
71.98882	0.2
73.02922	0.4
81.03419	1.2
85.02908	5.8
93.03448	0.3
95.13684	0.2
97.02903	2.0
98.21439	0.3
101.02364	0.2
109.02862	0.9
111.00797	0.8
118.57065	0.2
121.02883	0.7
122.34119	0.2
123.04437	0.3
127.03945	1.2
129.92937	0.2
137.02348	3.2
137.03400	0.3
145.04964	0.7
149.02341	0.4
153.01836	3.1
161.06017	0.3
163.03873	0.4
165.01840	2.0
166.02603	0.4
173.05956	0.2
183.02922	0.7
187.03964	0.3
191.06921	0.2
195.02913	0.4
201.05473	1.4
219.06664	0.4
229.04984	4.3
239.03287	0.2
247.06003	0.7
257.04446	2.6
274.04697	0.5
285.03918	1.3
303.05002	100.0
304.05328	0.8
345.06000	0.3
462.42780	0.2
465.10312	5.4
507.53098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.0
51.84834	0.4
52.21313	0.5
53.03950	5.5
55.01874	5.3
55.05516	23.3
55.05756	1.3
57.03397	2.9
57.07041	1.9
59.04964	0.8
65.03941	3.2
67.05509	49.2
67.05852	1.7
69.03432	10.0
69.07074	29.2
69.07428	1.0
71.04997	2.9
77.03912	1.0
77.18851	0.5
77.99090	0.5
79.05498	48.7
81.03434	4.2
81.07063	39.5
82.07381	0.8
83.04987	3.8
83.08621	9.1
85.06527	1.6
91.05486	28.2
93.07052	43.6
95.04980	9.7
95.08614	26.3
96.08938	0.7
97.02897	11.1
97.06544	3.8
97.10175	10.1
99.08051	1.0
103.05469	1.0
105.03349	0.7
105.04470	1.8
105.07042	20.4
107.04959	7.0
107.08603	22.3
109.02838	0.8
109.06534	3.2
109.10161	16.1
111.08037	2.0
113.05980	0.6
115.05422	1.7
116.06281	0.6
117.07029	10.2
119.04914	0.7
119.08586	19.4
121.06464	2.3
121.09360	1.1
121.10152	14.6
123.04407	0.7
123.08076	3.7
123.11740	2.6
123.41823	0.5
125.09627	7.8
128.06154	1.2
129.07021	4.1
130.07742	1.5
131.08578	12.9
133.06505	2.6
133.09157	0.6
133.10139	10.3
135.08083	3.6
135.11708	9.0
137.09590	2.2
139.11212	0.7
141.06970	2.0
142.07751	0.9
143.08568	5.3
145.06503	1.0
145.09093	0.7
145.10135	9.6
147.08047	3.9
147.11717	5.9
149.09598	2.0
149.13283	5.0
151.11166	1.3
153.09167	1.2
153.12766	0.6
155.08568	1.3
157.10120	4.7
159.08035	1.2
159.11703	6.3
161.09598	2.3
161.13252	3.5
163.11119	1.7
163.14810	1.7
165.09065	2.2
167.08566	0.8
169.10098	1.1
171.10246	1.2
171.11668	3.2
173.11845	0.9
173.13257	3.0
175.11185	2.1
175.14755	1.4
177.12718	2.2
181.10191	0.7
183.11639	1.5
185.13242	2.4
187.11253	1.0
187.14841	2.0
189.11212	2.7
189.12732	1.1
195.11736	0.8
195.13779	2.3
195.44470	0.6
197.13155	1.1
199.14763	0.9
201.16380	1.5
203.14252	0.6
205.12238	2.1
209.13269	1.0
211.14935	0.8
223.11153	1.1
223.13292	17.7
225.16406	0.7
227.12675	1.2
227.17850	0.9
229.56851	0.5
237.16415	0.8
243.21181	0.8
245.19048	1.5
249.14780	1.1
255.17384	1.3
257.18994	0.6
259.20490	0.7
260.20786	0.7
261.22116	4.4
263.20181	1.2
271.16913	0.8
273.18515	14.0
275.19989	2.1
277.21692	0.7
291.19556	100.0
292.19910	1.8
299.23718	0.6
317.24875	1.5
333.24310	0.5
335.25818	3.4
336.26144	1.4
347.22125	2.1
365.23276	2.1
365.27975	0.7
381.31601	0.6
513.35651	0.7
515.38300	1.1
527.37427	1.1
533.40125	1.0
607.43756	3.9
625.44666	76.4
626.45007	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.3
55.01877	22.6
55.05264	2.9
55.05514	30.2
56.15899	1.5
57.03448	10.0
57.07073	4.4
65.03934	6.1
66.60122	2.0
67.05508	73.6
69.03426	4.1
69.07069	49.0
70.54185	3.9
70.54549	3.4
71.04977	5.9
71.08623	1.8
73.06569	2.1
79.05492	60.7
81.03426	10.7
81.07060	76.0
83.04993	10.1
83.08620	15.8
85.06533	6.0
91.05482	59.3
92.05798	1.8
93.06477	3.9
93.07047	57.1
95.04973	8.2
95.08608	50.5
97.06532	26.4
97.10162	8.8
99.08091	3.3
103.05463	2.9
105.07036	53.8
107.04948	9.0
107.08602	39.9
108.07099	1.5
109.02901	2.2
109.06521	7.1
109.10159	20.0
111.08076	2.8
115.05456	4.3
117.07024	25.4
119.08580	39.4
121.06522	3.0
121.10153	23.7
123.08075	5.9
123.11706	5.8
125.09669	4.3
128.06221	7.4
129.07013	21.8
131.08591	38.3
133.06581	3.8
133.10139	32.4
135.08052	6.8
135.11697	14.7
137.09641	4.9
139.11143	1.9
141.07016	7.3
142.07806	3.7
143.08575	26.2
145.06438	2.5
145.10132	36.7
147.08070	3.7
147.11699	24.9
149.09644	7.6
149.13290	6.8
151.11163	2.5
153.07033	2.5
155.08554	14.8
156.09315	1.8
157.06482	1.8
157.10143	16.9
159.08110	3.8
159.11693	28.9
161.09660	2.6
161.13260	18.2
163.11185	5.3
163.14838	2.9
165.12823	2.8
166.07787	1.8
167.08583	7.4
168.09341	2.9
169.10133	16.5
171.08160	2.0
171.11693	25.3
171.13136	2.7
173.09682	3.0
173.13266	13.8
175.11267	4.6
175.14874	6.5
177.12772	5.3
179.08574	2.2
179.14285	4.5
181.10132	13.4
182.10811	1.8
183.11652	16.4
185.09756	2.7
185.13222	11.0
187.11243	3.5
187.14859	6.8
189.12807	2.7
193.10178	2.4
195.11751	9.7
197.09554	1.8
197.13275	14.4
199.14809	9.3
201.12787	3.4
201.16507	4.0
207.11676	3.5
209.13327	8.6
211.14900	7.3
213.16522	5.3
215.17899	2.5
221.13251	3.9
223.14874	5.8
225.16383	4.2
227.17984	3.6
229.19466	2.6
235.14812	3.2
237.16385	4.6
239.18025	3.5
241.19563	6.5
243.21135	2.3
251.17990	3.4
255.17590	2.1
257.19046	6.6
258.19177	2.2
259.20517	15.1
263.20108	3.7
271.13156	1.8
271.20596	3.1
273.18558	5.5
275.20157	20.8
276.20370	2.3
277.21707	3.9
311.23813	2.6
315.23224	4.0
323.23615	1.9
329.24951	2.1
333.24344	10.7
349.23727	13.1
353.24673	2.3
412.89719	2.0
419.45792	2.0
435.32446	4.4
437.34390	7.7
453.33392	2.2
480.22028	1.8
493.36450	2.2
497.36700	3.1
501.35229	2.1
509.35977	3.4
511.37900	5.0
513.35455	11.5
515.38910	7.5
518.39789	2.4
527.37109	9.8
529.38940	3.2
533.39996	13.6
537.36145	2.9
551.41046	7.3
555.36969	3.6
556.37665	2.4
565.24365	2.6
597.45074	2.9
607.43500	49.0
625.28149	10.7
625.44568	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	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.2
55.01878	41.0
55.05512	33.8
57.03448	11.9
57.07059	6.0
61.06352	2.3
64.62364	2.0
65.03935	5.6
67.05508	79.2
67.67036	1.8
69.03432	4.4
69.07068	82.6
71.04990	7.6
71.08611	4.9
75.56896	1.9
79.05497	69.8
81.03414	9.4
81.07062	83.6
82.06587	2.0
83.04980	9.3
83.08629	19.9
85.06538	6.8
91.05484	78.7
93.07046	66.0
95.01359	4.8
95.04980	12.6
95.08611	55.6
97.06535	46.1
97.10170	9.0
99.08115	4.5
103.05466	4.7
105.04498	2.9
105.07036	80.9
107.04966	17.7
107.08611	38.7
109.06495	4.8
109.10165	19.3
111.08091	4.7
115.05468	7.2
117.07030	30.7
119.08584	50.5
121.06543	6.5
121.10143	20.8
123.04411	3.2
123.08071	8.3
123.11675	3.7
125.09671	6.0
128.06232	6.9
129.07007	22.6
130.07835	3.0
131.08577	50.7
131.09538	3.7
133.06578	4.2
133.10143	43.5
135.08060	7.0
135.11696	16.9
137.09601	4.0
141.07024	10.0
142.07759	5.3
143.08572	30.4
144.09332	3.8
145.06473	4.2
145.10133	48.3
147.08011	4.1
147.11705	29.9
149.09637	11.5
149.13254	10.7
151.11139	5.0
154.07864	3.0
155.08571	19.6
156.09312	2.2
157.10130	27.7
159.08061	3.5
159.11688	31.4
161.09686	2.9
161.13268	20.5
163.11186	7.1
167.08611	8.1
169.10147	19.7
171.08055	2.9
171.10286	3.7
171.11670	28.9
173.09622	4.5
173.13248	21.2
175.14847	10.6
177.12720	5.0
179.08643	2.0
179.14354	8.2
181.10135	11.6
183.11716	22.5
185.13264	23.5
187.11172	4.6
187.14813	10.9
189.12720	3.6
189.16441	2.4
191.14331	2.6
193.10239	3.5
195.11783	13.4
195.13438	2.5
197.13283	18.0
199.14935	12.2
201.16388	4.6
207.11751	6.5
209.13261	10.0
211.14871	9.4
213.12737	3.7
213.16437	8.1
215.18071	5.1
221.13264	4.4
223.14908	8.0
225.16431	6.2
229.19629	2.9
231.21190	2.8
235.14912	5.0
237.16260	4.1
239.18001	3.6
241.19566	19.7
249.16457	2.6
251.18098	2.8
257.19009	12.9
259.20593	22.5
265.19513	2.5
269.19028	3.1
273.18622	7.6
275.20090	49.1
277.21793	6.3
291.19662	3.7
293.21445	3.3
311.23743	3.6
315.23215	6.7
327.23264	2.7
333.24185	16.9
335.25943	3.0
337.25049	3.6
347.22675	2.4
349.23801	25.7
350.27780	2.3
373.27533	2.3
419.32968	5.3
421.31113	3.0
435.32712	7.3
437.34265	17.4
445.30997	2.9
453.34320	3.1
487.34354	2.8
493.36633	2.7
501.35562	2.9
509.36417	3.2
511.37924	12.4
513.35870	8.4
515.38739	7.1
527.37439	16.4
528.38177	2.7
529.38971	5.9
533.39905	12.4
549.39081	2.2
551.40942	9.4
555.36859	3.6
607.34015	4.8
607.43567	63.7
608.43915	3.7
625.30090	11.2
625.44629	100.0
626.44989	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01878	7.1
55.05515	39.9
57.03428	4.6
57.07070	5.1
59.04987	1.3
65.03941	3.7
67.05509	60.4
69.03428	5.1
69.07071	24.4
69.15667	3.4
69.16080	9.6
71.04982	4.3
71.08636	2.9
79.05499	52.9
81.03411	4.4
81.06586	2.7
81.07061	47.9
83.04986	4.8
83.08617	19.0
85.06543	2.9
91.05488	39.6
93.06480	2.4
93.07050	42.5
95.04968	8.3
95.08610	32.7
95.09071	0.9
97.06523	6.2
97.10175	18.2
99.08107	2.7
103.05489	2.6
105.03394	1.5
105.04549	1.7
105.07035	33.1
107.04971	5.6
107.08603	28.4
109.06520	4.4
109.10162	21.5
111.08076	2.8
115.05445	4.9
117.07025	20.7
119.04872	1.3
119.08585	24.8
121.06517	5.7
121.10150	13.1
123.08052	3.5
123.11694	5.0
125.09624	13.0
128.06215	5.8
129.06999	16.9
130.07788	2.0
131.08568	22.4
133.06505	3.1
133.10144	20.3
135.08070	5.4
135.11687	7.6
137.09627	1.9
141.07005	7.4
142.07784	3.9
143.08577	15.7
145.06522	1.7
145.10138	17.9
147.08041	4.4
147.11690	9.3
149.09618	5.3
149.13214	3.9
151.11209	3.6
153.06966	1.7
153.09059	2.1
154.07802	1.6
155.08556	13.2
155.20140	1.3
156.09421	1.9
157.10139	16.0
159.11691	11.7
161.09595	3.9
161.13272	6.8
163.11156	2.7
163.14830	2.8
167.08606	4.6
168.09279	1.5
169.10123	10.2
171.11681	11.2
173.11998	1.4
173.13275	8.1
175.11258	2.8
175.14867	2.6
177.12721	2.0
179.08511	1.5
181.10147	5.5
181.12007	1.1
183.11679	8.4
185.09555	1.6
185.13237	9.1
187.11221	2.1
187.13258	1.6
187.14864	3.4
189.11240	8.2
189.12689	1.4
189.16338	1.5
193.10278	1.7
193.12122	1.2
195.11697	5.8
197.13289	5.0
199.14908	8.1
201.12808	1.4
201.16478	1.6
203.14406	1.5
207.11749	1.5
209.13309	3.9
211.14839	4.9
213.16396	3.5
215.17929	2.8
221.13246	2.5
223.13116	2.7
223.15004	2.7
225.16370	3.2
227.12720	11.7
227.14529	1.4
227.17886	2.0
229.19388	2.0
237.16403	3.9
239.17902	2.7
241.19518	5.2
243.15877	1.7
243.21199	2.8
245.19044	2.2
249.16490	1.4
251.17921	1.6
253.19603	1.7
255.21172	2.5
257.19000	1.9
259.20587	2.1
261.22296	2.8
265.19513	1.5
267.21097	1.8
269.22650	2.6
271.17017	2.1
273.18481	10.4
275.20111	4.9
277.21616	3.1
291.19568	22.5
293.21255	2.2
295.20514	2.9
297.22238	1.2
299.23688	1.5
311.23764	1.3
317.24597	1.8
335.25745	2.8
347.22318	2.9
365.23447	2.2
365.28217	2.7
381.23770	1.3
381.31610	11.9
403.29822	1.4
479.24384	4.0
493.25345	1.6
497.37781	1.7
513.36084	2.7
515.38727	5.5
525.35645	3.6
527.37317	5.0
533.39935	6.3
547.26221	6.1
551.40924	5.8
552.27258	1.8
555.36804	1.6
556.37335	1.9
565.26971	3.6
607.43774	18.2
625.29327	32.1
625.44385	100.0
626.29730	2.3
626.44897	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.3
55.01877	11.9
55.05514	37.0
57.03440	10.0
57.07068	4.7
58.50307	1.3
59.04992	1.6
65.03944	3.6
67.05508	70.4
67.96460	1.4
69.03426	3.2
69.06725	2.5
69.07076	29.6
69.40540	11.4
71.04990	6.4
71.08636	1.9
77.03937	1.9
79.05500	51.0
81.03429	5.8
81.07060	71.2
83.04978	8.2
83.08627	18.4
85.02888	1.5
85.06540	5.5
86.09709	2.9
91.05482	45.3
93.07052	46.1
95.04974	7.4
95.08614	41.5
96.84814	1.2
97.06542	15.0
97.10156	13.1
98.21519	3.0
99.08086	2.8
103.05460	2.3
105.04506	1.7
105.07034	46.4
107.04957	5.8
107.08595	36.5
109.02966	1.4
109.06532	6.1
109.10162	25.7
111.04424	1.6
111.08078	5.1
115.05424	3.1
117.07014	23.2
119.08585	40.2
121.06509	2.6
121.10143	20.9
123.08083	4.6
123.11714	9.4
125.09641	8.1
126.96178	1.4
128.06261	5.0
129.07016	21.9
130.07776	2.0
131.08565	32.8
133.06526	2.5
133.10133	33.5
135.08080	5.7
135.11697	12.2
137.09624	2.9
139.11163	2.2
141.06992	8.0
142.07794	4.5
143.08575	26.6
145.06512	2.4
145.10141	33.2
147.08067	2.5
147.11700	21.9
149.08534	1.4
149.09642	4.7
149.13272	5.4
151.11209	2.9
154.07780	2.1
155.08572	17.2
156.09335	3.3
157.10130	22.1
158.10948	1.9
159.08127	4.5
159.11697	21.5
161.09618	3.1
161.13255	11.5
163.11224	3.7
163.14899	3.0
165.12729	2.8
167.08592	6.4
168.09399	2.0
169.10130	21.3
171.08191	2.5
171.10248	2.6
171.11670	18.6
173.09729	1.5
173.13235	13.7
175.11192	3.1
175.14832	4.5
177.12852	2.0
179.08560	3.5
181.10185	12.8
181.12344	1.8
182.10960	2.6
183.11702	20.4
185.09683	2.6
185.13257	13.1
187.11246	3.4
187.14862	6.7
189.11284	3.5
193.10129	3.4
195.11685	12.8
197.13318	14.4
199.11180	2.3
199.14865	9.4
201.12755	2.8
201.16414	3.1
207.11685	4.2
209.13252	8.8
211.14839	6.5
212.15460	1.6
213.16435	5.9
215.14413	1.7
215.17970	2.3
217.15912	1.9
217.19489	1.5
219.17529	1.4
221.13263	3.9
223.14879	6.3
225.16454	4.1
227.12915	4.0
227.18044	3.1
229.19652	2.2
235.14893	5.3
237.16481	3.9
239.17996	5.2
241.19617	5.8
243.15765	1.8
243.21248	2.3
247.20691	1.5
249.16396	2.8
251.18088	1.9
253.19521	2.3
257.19037	5.9
259.20572	7.7
261.22455	1.6
263.20239	2.5
265.19458	1.7
267.15665	1.6
271.20706	3.0
273.18607	4.2
273.21698	1.6
275.20126	10.5
277.19229	2.0
277.21841	2.0
283.20395	1.7
285.22314	3.0
287.20020	1.6
289.22018	1.8
291.19675	1.6
297.22223	2.3
313.21524	2.9
315.23276	3.2
321.22122	1.9
331.22879	2.5
333.24347	5.2
335.26389	1.8
339.23032	1.7
341.24719	1.6
347.22754	2.5
349.23889	4.0
351.26657	1.6
353.25012	2.3
365.28500	3.9
379.30118	1.9
383.29440	1.7
395.29623	3.6
403.29962	1.8
421.31287	4.9
435.32306	2.6
439.31976	2.2
451.31934	1.8
488.50839	1.5
488.59839	1.8
497.36514	3.1
499.34222	2.3
511.38058	1.9
513.35834	18.0
515.38733	10.6
527.37329	6.6
533.39923	11.5
551.41071	8.3
553.39130	2.2
555.36823	2.7
589.42627	3.1
597.44385	2.0
607.43573	46.5
608.44135	2.7
625.44641	100.0
626.45117	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	625.1767
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
55.01861	0.3
55.05519	0.2
57.03443	1.5
61.02929	1.1
69.03416	0.6
69.90588	0.6
71.04994	8.3
73.02921	0.5
75.04456	0.3
81.03387	0.3
83.04972	0.4
85.02905	11.5
87.04513	0.2
91.03938	0.5
95.04957	0.4
97.02889	1.0
99.04479	0.3
107.08660	0.2
109.02865	0.4
111.04426	0.4
121.02857	0.8
123.04416	0.9
124.01576	0.2
125.02338	0.7
125.03160	0.2
127.03928	0.4
129.05484	2.6
134.81238	0.2
135.04410	0.2
137.02348	2.1
145.02893	0.3
145.04929	0.5
147.06516	0.5
149.02364	0.4
151.03864	0.6
163.03949	0.2
167.03407	2.7
179.03378	1.4
197.04424	0.6
200.04668	0.2
215.07034	1.2
219.02844	0.3
227.06885	0.2
228.04128	0.4
233.07950	0.3
243.06531	3.3
256.03647	0.3
257.04593	0.2
261.07535	0.4
271.06076	1.7
273.03979	0.3
274.04764	2.1
288.06235	0.6
299.05478	0.7
301.42032	0.2
302.04221	2.0
317.06558	100.0
318.06961	1.6
329.06570	0.2
359.07849	0.3
463.12415	0.2
479.11877	0.3
540.70911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57012	3.2
53.03947	7.2
54.63200	3.0
55.01864	10.4
55.05520	43.8
57.03426	12.7
57.07058	7.0
59.04997	4.7
65.03938	4.5
67.05511	100.0
68.05825	5.0
69.03422	11.6
69.07071	26.5
69.45464	7.4
69.45867	19.8
71.04980	14.4
77.03921	3.7
79.05499	63.1
81.03427	33.9
81.07062	93.7
82.07397	3.4
83.04989	20.7
83.08612	17.4
85.02897	6.3
91.05487	59.3
93.07047	57.3
95.04948	17.4
95.08618	32.5
97.02866	5.9
97.06506	14.6
97.10182	7.2
98.98454	4.7
99.04430	4.2
99.08108	5.1
105.07038	46.2
107.04941	9.2
107.08608	41.8
109.02881	7.3
109.06520	10.0
109.10152	32.3
111.04487	7.9
111.08075	8.4
115.05454	3.8
117.07023	24.7
119.08598	33.7
121.06509	3.7
121.10160	16.4
123.08129	6.6
123.11706	6.4
124.31409	3.7
125.09651	10.9
128.06192	3.2
129.05498	5.5
129.07010	13.9
130.07689	3.5
131.08574	32.7
133.06479	3.2
133.10149	26.4
135.08034	5.0
135.11731	16.7
136.68248	3.4
141.06963	6.3
143.08537	17.7
145.06606	5.9
145.10155	26.7
147.08052	6.0
147.11691	14.6
149.09634	6.0
149.13251	9.1
155.08540	12.3
157.10133	12.9
159.11702	20.3
161.13263	6.5
163.11143	6.9
167.08583	5.2
169.10065	7.0
171.11716	8.5
173.04390	4.8
173.13159	6.5
175.11156	5.5
175.14775	3.4
177.12741	6.3
183.11694	7.2
185.13245	5.3
193.12273	3.9
195.11734	4.9
195.13733	5.1
197.13281	6.2
199.14885	7.8
202.45464	3.8
207.11755	3.8
209.13310	4.8
223.14816	3.4
227.12701	4.1
233.15527	4.3
255.16014	4.5
255.20963	4.4
269.17542	7.7
275.19986	9.7
276.20303	4.2
301.25253	9.9
346.08002	3.7
353.24625	7.8
383.24408	4.7
389.27014	4.5
423.27426	7.3
445.29575	59.7
453.33554	5.0
463.30582	18.8
471.34793	5.7
509.36221	4.6
513.35345	3.6
527.37408	57.2
607.34821	5.0
607.43896	7.6
625.35803	24.8
625.44824	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1557
Annotation	Isorhamnetin 3- (6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
51.02367	0.3
53.03941	0.6
55.01868	0.2
55.05496	0.6
57.03432	0.3
57.17418	0.2
61.43937	0.2
65.03941	1.6
67.05515	1.3
69.03424	1.7
69.07068	0.5
69.31754	1.9
71.04984	0.3
79.05502	1.0
81.03425	4.3
81.07057	1.4
83.04978	0.5
83.08607	0.4
85.02908	1.4
85.06573	0.2
86.27631	0.2
91.05484	11.4
93.07044	0.8
95.04973	0.7
95.08622	0.4
95.50574	0.2
97.02906	0.8
97.06535	0.3
98.20767	0.5
99.04448	0.5
105.07026	0.7
107.04982	0.4
107.08604	0.3
109.02869	1.4
109.06542	0.2
109.10173	0.4
111.08155	0.2
119.04948	26.0
119.08549	0.4
121.02876	0.4
121.06496	0.4
121.10175	0.5
123.04449	0.9
125.02378	0.3
127.03924	0.9
131.08551	0.4
133.10167	0.3
135.11670	0.3
137.02338	0.8
145.02849	0.5
145.06514	0.2
145.10178	0.3
147.04414	100.0
148.04770	0.7
153.01828	0.3
163.03900	1.0
165.05470	3.1
167.03372	1.4
173.04433	0.3
173.06023	0.2
177.05603	0.3
179.03291	0.4
181.04962	0.2
184.07352	0.3
192.25983	0.2
197.04442	0.3
197.77159	0.2
200.04686	0.3
211.13283	0.4
215.06978	0.4
243.06526	1.5
271.05972	0.6
274.04727	1.3
291.08624	5.3
299.05460	0.3
301.06787	0.3
302.04236	0.5
309.09863	1.5
317.06577	27.2
318.06946	0.4
416.14893	0.2
431.68988	0.2
624.33997	0.3
625.32465	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1557
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
50.91481	0.2
53.62376	0.2
57.03436	0.2
63.02382	0.3
67.01865	1.0
67.05501	0.3
67.77402	0.2
68.99781	1.0
69.03422	0.4
70.06589	0.2
71.51617	0.3
79.05499	0.4
81.03419	1.2
81.07043	0.3
85.02909	0.7
89.03929	1.8
91.05467	0.4
93.07024	0.3
95.04960	0.4
95.08600	0.5
97.02872	0.2
102.63049	0.2
105.07031	0.3
107.04953	0.3
107.08584	0.3
109.02872	0.6
111.00768	0.3
117.03387	5.0
119.04907	0.2
121.02885	0.3
121.10155	0.2
122.33821	0.2
127.03926	0.3
129.01878	0.2
134.03616	0.5
135.04430	2.2
137.02374	0.9
140.10690	0.3
145.02855	11.5
147.04395	0.3
149.05989	1.8
153.01845	9.0
161.02341	1.2
163.03880	0.3
166.04807	0.2
171.02908	0.8
177.05478	27.5
179.03366	0.8
181.05077	0.3
192.77896	0.2
213.05542	0.3
219.06491	0.2
241.04851	0.9
245.04468	0.4
255.06393	0.2
269.04477	0.6
286.04895	0.2
287.05511	100.0
288.05789	1.4
301.07156	0.8
317.06656	1.3
321.09717	1.9
339.10757	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67113	34.0
67.05519	57.3
71.36371	56.1
79.05483	58.9
81.07042	45.6
89.19136	38.6
91.05488	65.7
93.07034	54.7
94.80584	30.6
95.08609	74.2
105.07032	83.3
107.08609	50.6
115.45283	31.2
119.08547	47.3
230.59109	28.9
231.95888	32.1
259.20551	100.0
306.17499	30.2
313.27335	97.9
545.72229	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39819	0.3
51.02399	0.3
55.01468	0.3
61.52806	0.3
63.02379	0.4
67.18599	0.3
69.51301	1.3
69.51699	0.6
81.03418	0.5
81.07043	0.3
85.02902	0.7
89.03920	8.4
93.07021	0.4
97.02891	0.6
97.79018	0.3
98.20822	0.6
105.07050	0.4
106.04146	0.7
110.53532	0.3
111.00758	0.4
117.03381	22.6
121.02879	2.3
127.03896	0.3
133.02853	0.3
134.03624	1.3
135.04398	1.1
136.51135	0.3
137.02272	0.5
145.02844	54.4
147.04401	0.4
149.05986	7.3
152.70642	0.4
153.01816	3.6
163.03864	0.9
165.01788	1.1
177.05473	100.0
178.05780	0.7
185.05922	0.5
186.05443	0.4
213.05443	0.8
231.06560	0.8
233.08113	0.4
241.05009	0.7
258.05273	0.8
259.05994	0.6
261.07581	0.7
287.05505	73.5
288.05817	0.9
317.06754	0.5
321.09729	1.1
329.06546	0.6
339.10785	6.4
436.67224	0.4
472.15088	0.3
554.45660	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1551
Annotation	Kaempferol 3-(6''-ferulylglucoside)
Peak:m/z	Relative Intensity
53.03952	0.4
56.87531	0.3
63.02385	0.4
69.03426	1.6
69.41768	2.4
71.04992	0.4
81.03419	3.3
85.02911	0.7
89.03920	7.5
105.11467	0.3
106.04182	0.4
109.02881	1.0
110.18511	0.3
117.03384	21.2
121.02853	0.5
127.03946	0.7
134.03639	1.4
135.04402	0.8
145.02853	49.8
146.03142	0.7
149.05986	6.9
153.01840	1.3
163.04010	0.3
165.01846	0.7
177.05475	100.0
178.05794	0.9
186.05502	0.7
195.06552	1.0
213.05435	0.5
231.06456	0.4
287.05508	28.0
321.09689	5.8
339.10742	2.4
599.18616	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.1
53.03949	12.6
54.68695	1.5
55.01878	14.2
55.05513	35.0
57.03440	21.9
57.07075	4.9
65.03958	7.0
67.05505	99.9
69.03448	6.7
69.07069	28.1
71.05005	7.1
73.02930	2.0
77.03917	2.5
78.04710	2.2
79.05498	81.8
81.01093	1.6
81.03421	58.8
81.07058	80.1
81.66705	1.5
83.04998	11.2
83.08620	12.7
85.02931	2.7
85.06549	13.5
91.05482	83.4
92.38904	1.6
93.07047	63.8
93.07624	3.6
95.01362	5.6
95.04970	62.7
95.05550	3.3
95.08609	52.2
97.02911	4.0
97.06534	19.5
97.10174	8.2
98.21532	3.5
99.08120	2.4
103.05512	2.6
105.04557	4.8
105.07033	72.5
105.37978	1.7
107.04961	20.5
107.08594	40.9
109.02915	2.9
109.06522	39.9
109.10165	19.3
111.04509	3.0
111.08117	6.3
113.05997	17.0
115.05479	10.9
116.06270	1.9
117.05702	1.6
117.07019	35.4
119.04933	1.8
119.08582	47.4
121.06505	12.6
121.10138	16.0
123.04475	4.0
123.08060	8.6
123.11711	2.7
125.09693	6.2
127.03998	1.7
128.06267	5.3
129.07002	20.5
129.07758	1.9
130.07843	4.0
131.04970	4.3
131.08580	45.2
131.09520	3.2
133.06502	9.6
133.10147	28.5
135.08055	20.3
135.11703	13.6
137.06004	2.8
137.09636	3.0
141.06999	10.6
142.07829	3.6
143.08565	24.0
143.09512	1.6
144.09384	2.3
145.06514	8.3
145.10139	31.7
147.04459	3.7
147.08128	6.8
147.11691	21.2
147.12596	1.8
149.09619	10.8
149.13246	9.1
151.11221	2.5
153.07031	2.7
154.07831	2.0
155.08562	12.9
156.09396	2.2
157.06511	3.2
157.10144	20.4
159.08116	6.0
159.11690	25.3
159.12839	1.8
160.05270	4.9
161.05978	12.1
161.09595	11.0
161.13264	11.6
163.11182	9.0
165.07150	2.3
165.12779	3.3
167.08652	5.6
168.09433	2.5
169.10164	15.4
171.08157	3.3
171.11694	16.4
173.06029	8.2
173.09723	4.7
173.13242	16.3
175.11273	6.0
175.14940	3.7
177.12840	6.0
179.08659	3.4
179.14394	5.4
181.10144	9.9
182.10945	2.4
183.08121	1.5
183.11710	11.7
185.09732	2.9
185.13219	9.2
187.07541	4.1
187.11284	6.7
187.14824	4.1
189.12787	2.1
192.09399	2.3
193.10298	3.5
193.12283	3.2
195.11816	7.4
195.13887	3.0
197.09743	2.8
197.13368	7.3
199.11263	4.8
199.14951	6.8
201.12842	4.4
201.16542	3.5
205.12347	4.7
207.11653	3.5
209.13411	5.6
211.13231	2.7
211.14970	5.7
213.12880	3.8
215.18019	2.0
217.15918	8.8
218.05400	1.8
219.13918	1.8
219.17587	1.9
221.13400	3.7
223.14999	4.6
225.12968	2.5
225.16350	1.7
227.18068	2.2
229.19614	2.9
229.64145	1.8
233.15344	2.2
235.14925	2.4
237.16516	5.7
239.17909	2.3
241.14459	3.0
241.19647	5.3
243.13902	2.2
243.21263	1.9
255.17467	4.4
257.19028	8.7
259.20471	9.9
267.15912	2.2
271.13342	9.8
273.15369	3.5
273.18512	23.7
275.20111	22.1
279.15866	11.8
283.20535	1.8
289.14420	4.5
291.19531	31.5
297.17212	2.1
315.23288	2.2
325.21820	2.5
325.25452	1.9
327.23438	1.8
327.27039	5.1
331.23087	2.2
333.24405	6.8
335.25986	5.4
345.17050	2.4
347.22360	6.0
349.23828	4.1
351.23477	2.1
398.39117	1.7
443.27698	2.9
451.32654	1.8
461.28998	4.0
513.37109	2.1
520.01581	1.8
525.35571	2.8
527.37512	2.0
531.38458	6.5
549.39539	4.1
567.40546	4.6
587.40662	1.9
605.42041	17.4
623.43231	100.0
624.43604	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.1
53.03951	15.3
55.01869	10.3
55.05513	29.6
57.03434	14.8
59.05007	2.2
61.02925	3.0
62.21679	2.0
65.03947	5.1
67.05508	61.6
67.56416	2.1
69.03436	22.6
69.07083	13.5
69.13098	1.8
70.96575	5.2
71.01395	2.1
71.04989	7.9
71.40724	1.9
77.90052	2.0
78.17410	2.2
79.05499	48.8
81.03421	100.0
81.07058	75.6
81.07533	4.4
83.04977	22.2
83.08615	20.3
85.02907	20.7
85.06535	2.8
91.05485	49.7
91.06023	3.5
93.07044	43.2
95.04976	27.9
95.08598	19.1
97.02900	15.5
97.06541	12.3
97.10169	9.7
99.04469	5.5
99.08105	3.5
105.07033	30.0
107.04958	12.8
107.08599	25.7
109.02880	21.0
109.06531	8.8
109.10190	6.2
111.04440	14.7
111.08098	8.1
115.05452	2.7
117.07011	14.5
119.08587	21.6
121.06504	7.9
121.10157	19.2
123.04406	4.2
123.08075	5.9
123.11721	4.5
125.09649	3.6
127.03913	11.1
129.05542	2.9
129.07021	13.4
131.04929	2.8
131.08574	17.8
133.06537	4.2
133.10139	16.7
135.08092	3.9
135.11685	6.4
138.20914	1.9
141.07004	4.2
143.08572	6.7
145.06514	7.4
145.10159	9.0
147.08089	7.3
147.11690	15.2
149.09648	7.7
149.13243	13.4
151.11137	2.2
153.58504	2.0
154.46062	2.5
155.08594	3.1
157.10149	11.7
159.08078	4.5
159.11711	9.1
161.09602	2.0
163.11229	4.4
165.12776	7.7
168.62892	2.4
171.11642	2.5
173.04533	3.9
173.09634	3.2
175.11237	9.3
177.12778	4.2
181.12299	3.0
183.06633	3.3
193.12238	36.1
193.13860	3.6
195.13840	8.7
197.13339	3.0
199.14980	3.1
207.13846	3.0
211.13275	43.4
213.14973	2.5
217.15840	2.6
219.13940	2.3
227.12685	5.3
235.13345	2.6
267.15942	15.1
269.17474	12.7
273.15100	3.9
275.16586	3.3
285.17142	4.4
303.15894	2.8
321.16879	2.5
337.16434	2.8
339.18161	7.7
351.23593	2.6
355.17734	3.6
369.24536	7.8
387.25458	3.1
395.20706	5.6
411.20041	5.2
413.21985	2.2
443.27603	9.8
461.29044	35.1
479.30008	15.1
503.30069	3.1
545.31543	3.2
551.30640	2.6
569.30823	2.7
587.32465	5.5
605.32867	9.6
623.34338	72.5
623.44391	4.0
624.34351	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	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.7
51.62323	2.3
51.99482	2.1
53.03952	12.4
55.01869	7.0
55.05510	29.7
57.03435	11.9
61.02923	3.7
65.03945	3.5
67.05508	56.1
68.90422	2.0
69.03432	19.2
69.07074	19.4
70.76228	5.1
71.04982	9.7
74.73221	2.4
79.05064	4.1
79.05495	45.7
80.78127	2.2
81.03422	93.6
81.07059	73.1
83.04990	26.2
83.08620	27.6
85.02908	21.4
85.06543	4.4
90.36909	2.5
91.05479	38.4
93.07048	53.3
95.04970	26.0
95.08620	21.4
97.02904	21.2
97.06535	9.1
97.10166	5.6
99.04459	7.0
99.08115	4.5
105.07047	25.0
107.04966	8.2
107.08607	30.4
109.02881	14.3
109.06524	6.8
109.10179	7.5
111.04434	16.7
111.08092	9.2
117.07030	12.1
119.04929	2.4
119.08566	20.7
121.06504	6.0
121.10173	16.7
123.04504	3.2
123.11684	3.6
125.09667	3.8
127.03922	12.9
129.07039	9.9
131.08553	20.3
133.06470	3.8
133.10153	10.0
135.04463	2.6
135.08046	2.9
135.11723	10.1
143.08626	2.9
145.06541	3.8
145.10144	7.0
147.08020	3.8
147.11682	17.9
149.09621	4.6
149.13245	16.6
153.12766	2.6
157.10158	9.6
157.62053	2.7
159.11719	10.5
161.05980	2.4
163.11172	6.9
165.12776	5.4
173.09647	3.8
175.11201	9.7
177.12778	6.6
181.12277	5.6
189.11243	5.1
191.10684	7.7
193.12250	37.3
195.13850	9.5
211.13292	58.1
227.12807	9.3
267.15961	10.5
269.17636	10.0
355.17465	14.8
369.24323	8.2
379.93561	2.4
387.25412	5.3
395.20966	3.2
405.26221	3.2
411.20074	6.6
417.26382	3.1
443.27908	8.2
461.29047	31.9
468.13922	2.6
479.30103	17.3
576.13177	2.7
587.31934	4.0
605.33069	7.4
623.34247	100.0
624.34479	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.5
55.01873	8.6
55.05516	29.3
57.03438	9.3
59.20773	1.7
65.03945	4.3
67.05508	56.3
69.03435	18.3
69.07071	19.6
70.13358	7.9
70.71640	1.8
71.04994	10.4
79.05496	42.0
79.05961	2.6
81.03423	100.0
81.07061	64.6
83.04970	19.3
83.08620	21.2
85.02918	20.3
85.06539	2.8
91.05486	44.6
93.07053	44.9
95.04980	25.3
95.08611	21.1
97.02894	17.2
97.06541	12.4
97.10181	6.5
99.04478	4.8
99.08112	3.7
105.07033	30.8
107.04977	8.7
107.08598	28.1
109.02894	21.5
109.06512	6.4
109.10134	10.2
111.04464	14.1
111.08093	12.4
113.06061	2.4
115.05482	2.4
117.06994	13.8
119.08577	19.3
121.06519	6.4
121.10141	17.6
123.04465	2.6
123.08062	3.7
123.11739	5.8
125.09618	2.5
127.03889	10.9
129.05496	3.8
129.07022	15.3
131.08568	20.1
133.06526	3.2
133.10141	13.7
135.08069	3.6
135.11700	6.7
137.06009	3.0
137.09695	2.0
138.45441	2.0
141.06999	2.9
142.07838	3.8
143.08563	4.2
145.06497	3.5
145.10147	6.7
147.08102	5.3
147.11682	17.4
147.12701	2.3
149.09610	4.2
149.13255	12.8
153.12790	2.4
155.08591	3.9
157.10135	11.3
159.08076	2.0
159.11716	7.3
163.11197	6.0
165.12781	4.8
169.10158	2.8
171.11714	3.1
173.04526	3.7
175.11246	8.4
177.12761	4.3
181.12253	4.0
185.09647	2.5
185.13351	2.9
189.11206	2.5
193.12263	28.4
195.13768	13.3
197.13353	2.4
211.13290	42.2
219.13878	3.3
227.12805	5.9
267.15958	12.6
269.17599	8.2
273.14859	2.8
285.17050	7.1
301.14182	2.8
303.15961	3.5
319.15320	2.8
321.17194	3.3
337.16467	3.7
339.18082	6.8
351.23428	2.2
355.17514	3.7
369.24442	4.5
377.19595	4.0
387.25134	2.9
393.19034	2.8
395.20837	2.5
411.20459	2.8
435.27240	2.1
443.28070	8.7
461.29092	20.7
479.30087	10.6
542.31061	1.8
579.53333	2.0
587.32227	3.0
605.33252	10.5
623.34216	70.5
623.44373	3.6
624.35034	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	623.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.1
55.01881	4.0
55.05517	19.3
57.03437	6.7
61.02929	27.5
65.03938	3.1
67.05505	43.8
69.03432	10.4
69.07076	16.8
69.52051	8.9
69.52479	6.9
69.99351	2.2
71.04996	5.6
73.02923	9.0
76.69567	2.1
77.03931	3.0
79.05494	39.7
81.03420	15.4
81.07056	45.7
83.04998	6.1
83.08616	14.4
85.02910	25.9
85.06516	2.4
86.21426	2.1
91.03937	11.3
91.05486	49.8
91.06022	3.5
93.07054	35.2
95.04964	12.0
95.08613	28.8
95.58152	2.6
97.02888	12.4
97.06536	8.8
97.10190	5.1
99.04441	2.6
103.05494	3.3
105.07037	37.4
105.07701	3.3
107.04965	7.9
107.08576	13.8
109.02896	4.0
109.06522	5.9
109.10135	10.2
111.08098	4.8
115.05448	5.4
117.07021	32.5
119.04896	2.7
119.08581	23.4
121.06538	9.0
121.10129	10.5
123.08067	7.8
123.11732	2.3
125.09658	2.7
127.03912	3.7
128.06247	6.5
129.07016	39.1
130.17657	2.0
131.08582	42.7
133.06520	5.0
133.10141	19.0
135.08058	6.9
135.11694	4.3
137.09517	2.6
141.07013	18.5
142.07777	5.2
143.08566	30.4
145.06471	9.4
145.10133	21.6
147.08047	6.3
147.11713	8.0
149.09671	6.1
149.13271	4.1
153.07021	4.4
154.07726	2.9
155.08575	25.4
157.10150	18.0
159.08110	3.0
159.11723	8.6
161.09650	5.0
163.11104	3.3
165.07043	3.3
165.40413	2.1
167.07326	2.7
167.08502	12.2
169.06529	2.9
169.10135	18.0
171.08151	4.1
171.11728	9.8
173.13268	3.6
175.11244	4.1
177.12727	5.2
180.09248	2.8
181.10127	14.5
183.11716	9.7
185.09608	3.8
185.13269	5.3
187.14880	2.5
193.10155	3.3
195.11717	12.3
195.14111	2.3
197.09561	2.7
197.13318	6.7
199.11069	3.7
199.14876	3.6
201.12817	2.8
207.11797	6.7
209.13266	8.9
211.11334	3.0
211.13127	4.5
211.14886	6.0
213.12784	4.9
213.16289	2.8
215.14342	7.0
221.13300	9.0
223.14851	7.2
231.17342	3.0
235.14882	2.8
239.14297	6.4
241.15942	3.9
249.16402	4.9
253.15895	5.8
257.15344	4.7
323.23615	5.4
333.22131	13.4
341.24826	9.1
351.23206	52.7
369.24258	38.3
387.25378	17.4
388.26010	2.6
402.30219	3.0
425.26697	6.0
433.29507	2.9
443.27988	100.0
444.28323	2.6
461.29010	61.0
479.30264	2.3
490.26767	2.2
604.09137	3.1
623.33972	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	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01881	0.5
55.05519	1.9
57.07060	0.3
67.05510	4.0
69.07078	1.4
77.65449	0.3
79.05499	3.1
81.03423	0.8
81.07060	3.7
83.04985	1.6
83.08620	0.7
91.05492	2.9
93.07051	2.5
95.04975	0.8
95.08618	2.0
97.06543	0.9
97.10181	0.6
105.07043	2.6
107.04964	0.6
107.08623	1.6
109.10188	1.0
115.05443	0.4
117.07023	0.8
119.08585	3.8
121.10180	1.0
121.71205	0.3
123.08125	0.3
125.09635	0.4
125.35856	0.3
129.07005	1.2
130.52254	0.3
131.08586	1.8
133.10156	1.3
141.06923	0.4
143.08582	1.0
145.06487	0.6
145.10155	1.2
147.11722	0.7
149.09662	0.7
155.08563	0.4
157.10132	0.8
159.08101	0.9
159.11690	0.7
161.09616	0.3
169.10199	0.5
173.09616	1.0
173.13402	0.4
179.14381	0.4
189.11287	0.4
197.10706	0.3
197.13293	0.3
204.06667	0.3
224.13063	0.4
229.51601	0.3
230.32263	0.3
235.12396	0.3
235.14777	0.3
237.10191	0.4
249.10320	0.3
250.10840	0.4
261.18652	0.4
271.16971	1.1
273.18625	0.4
275.20081	1.6
277.70578	0.3
288.15897	0.3
289.18088	1.4
297.12598	0.3
311.14352	0.4
335.14523	0.3
342.15988	0.6
354.16193	0.5
375.16022	0.6
376.17245	0.6
377.17792	0.9
388.16873	0.6
389.17725	1.1
390.18521	0.5
391.19391	2.0
392.20120	0.5
393.20850	0.6
401.17828	0.7
402.18524	0.6
403.14838	0.6
403.19815	1.5
404.15964	0.8
404.20190	1.0
405.16483	0.6
405.21481	2.3
406.21509	0.8
407.22137	1.3
414.18784	0.5
415.19489	0.6
416.20114	0.6
417.16428	1.7
417.21454	0.9
418.18048	1.2
419.17877	3.3
419.22992	1.1
420.19040	0.6
421.24319	1.9
429.16940	1.6
430.17209	0.4
430.22031	0.4
431.18637	1.6
431.23022	1.0
432.19113	1.8
433.20035	3.6
434.21057	1.5
435.21939	1.5
442.21631	0.4
443.18799	1.1
444.19406	0.9
445.20343	3.5
446.21564	1.5
447.17169	1.0
447.22800	4.1
448.22992	2.1
449.18073	0.4
449.23544	5.6
450.24384	0.5
457.20187	0.7
458.20901	1.3
459.22067	3.6
460.22772	0.7
461.19803	2.1
462.20087	0.7
463.21286	1.8
465.23364	0.3
473.24170	0.4
475.20712	2.1
476.22095	6.1
477.23032	5.4
489.23111	2.9
490.23969	0.5
493.22098	0.4
503.25308	1.5
505.22122	0.5
519.23907	1.0
521.22034	1.0
531.24365	0.9
531.38251	0.4
533.25549	3.6
535.27496	3.5
545.25330	1.6
547.27142	0.6
549.25244	0.4
563.26563	18.1
564.26727	0.5
591.25812	0.8
592.62341	0.4
593.26886	0.8
595.29297	0.9
605.27557	3.5
606.28320	3.5
623.28656	100.0
623.42932	3.3
624.29150	3.2
630.05554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56175	0.4
53.03948	0.6
55.01871	0.7
55.05518	3.6
57.03433	0.6
57.07068	0.5
59.21510	0.4
62.44608	0.4
67.05508	5.5
69.07072	1.5
69.85562	2.1
71.58513	0.4
79.05508	4.9
81.03420	1.5
81.07061	5.3
83.04988	0.6
83.08633	0.8
88.07083	0.4
91.05486	4.9
93.07056	4.1
95.04991	1.3
95.08616	2.6
97.06569	0.6
97.10181	1.6
97.98374	0.5
98.21416	0.7
103.94165	0.4
105.07043	2.9
107.05012	0.4
107.08604	2.4
109.10182	1.2
113.00004	0.6
115.05476	0.7
117.07040	3.2
119.08590	3.6
121.06548	0.7
121.10158	1.4
125.09659	1.6
128.06235	0.6
129.07016	1.4
131.08583	1.1
133.10158	1.5
135.08060	0.8
135.11703	0.5
143.08615	1.5
145.06503	2.5
145.10178	1.0
147.11685	1.0
149.09654	0.5
155.08607	0.8
157.10164	0.9
159.08093	0.9
159.11707	1.1
161.13326	0.7
169.10199	0.9
171.11748	1.2
173.09581	0.6
173.13231	0.8
183.11713	0.5
189.11278	0.8
190.13371	0.4
195.11830	0.6
227.12807	0.9
271.16965	3.8
273.18521	0.6
275.19995	1.0
289.18066	1.3
335.25876	0.5
345.20660	0.7
375.16016	1.0
388.16907	0.7
389.17633	3.1
390.18555	1.3
391.19348	2.7
402.18918	0.6
403.14700	0.7
403.19635	3.0
404.20099	1.9
405.20847	8.7
406.21487	0.9
407.22144	0.5
416.20364	1.0
417.16547	6.6
418.17612	3.3
419.18204	2.8
430.17715	0.5
431.18396	6.0
432.19424	7.7
433.20157	8.5
434.21237	0.6
444.19626	0.8
445.20404	2.5
446.21146	1.1
449.23682	1.4
458.20935	0.6
459.21866	1.6
460.22406	0.6
461.19171	2.1
462.20813	0.6
463.21243	1.4
465.23065	0.6
475.21152	1.0
476.22034	4.4
477.23511	4.8
489.22903	2.0
491.25195	2.3
503.23666	0.5
511.37964	1.9
519.23950	19.6
519.31653	1.0
521.22156	1.1
531.38220	0.8
535.27545	1.1
547.23035	0.8
563.26587	13.2
564.27185	0.5
579.26056	4.7
605.41565	1.0
623.28693	100.0
623.43317	3.5
624.28918	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	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01863	0.5
55.05519	1.7
57.03438	0.7
67.05513	3.5
69.07070	0.7
69.29505	2.7
75.64372	0.3
79.05502	2.8
81.03429	0.6
81.07063	2.4
83.04979	0.9
83.08619	0.5
83.19082	0.3
88.75506	0.3
91.05494	2.4
93.07070	2.0
95.04988	0.4
95.08598	1.5
95.41969	0.3
95.48283	0.3
97.06533	0.7
97.10160	0.4
105.07048	1.6
107.08601	1.0
109.06548	0.4
109.10183	0.7
115.99817	0.3
117.07042	1.3
119.08598	2.0
120.08134	0.4
121.06561	0.3
121.10141	0.9
125.09670	0.3
129.07030	0.9
131.08612	1.2
133.10170	0.9
134.06033	0.4
135.08095	0.4
143.08568	0.4
144.08156	0.3
145.10176	0.8
147.07985	0.4
147.11687	0.4
154.88966	0.4
155.08414	0.4
157.10190	0.9
159.08171	0.5
159.11685	0.6
164.29723	0.4
169.10124	0.4
171.11734	0.4
173.09621	0.4
183.11766	0.5
195.11678	0.3
197.10709	0.3
209.10799	0.7
210.11398	0.4
217.25845	0.3
221.10815	0.3
223.08638	0.3
223.12491	0.3
237.14058	0.4
238.11577	0.4
239.17908	0.3
249.10442	0.4
261.18332	0.5
265.13382	0.3
271.17004	1.0
275.20108	0.8
289.18030	1.0
314.12964	0.4
328.14496	0.4
340.14676	0.6
354.11722	0.4
354.16022	0.5
362.16434	0.3
368.18079	0.4
375.16232	0.9
376.16727	0.5
377.17834	0.8
378.18436	0.4
388.17090	0.4
389.17734	1.3
390.18423	0.7
391.19495	1.8
393.20953	0.7
401.17966	0.6
402.18405	0.5
403.14871	0.5
403.19315	1.3
404.15671	0.7
404.20068	1.2
405.16306	0.6
405.21341	2.0
406.22070	1.7
407.22385	1.0
413.17773	0.3
415.19458	0.6
416.20279	0.6
417.17084	1.3
417.21011	1.4
418.17514	0.9
418.22464	0.5
419.17783	2.7
419.22809	1.7
420.19302	0.9
421.24390	2.3
429.16516	1.5
430.18002	0.6
431.17990	0.8
431.22589	1.3
432.18958	1.7
433.19943	4.4
434.20633	0.8
435.21759	1.5
443.19031	1.2
444.19315	0.7
445.20212	3.5
446.21249	1.0
447.17233	1.0
447.22830	3.6
448.22653	2.0
449.23431	5.9
457.20053	0.3
458.21002	1.6
459.21918	4.4
460.22726	0.9
461.19687	1.9
461.24316	0.9
462.20108	0.9
463.21298	1.7
473.24121	0.4
475.20392	1.7
476.21985	6.0
477.22971	4.4
479.24106	0.4
489.22995	3.0
493.22531	0.9
503.24170	1.2
505.22284	0.6
517.22742	0.4
519.23969	1.0
521.21411	1.6
531.23914	0.8
533.25763	3.8
535.27765	3.5
545.25372	2.3
547.27063	1.4
548.23566	0.5
561.25616	0.5
563.26599	19.2
564.27032	0.4
591.25751	1.5
593.27289	0.6
595.29089	0.9
605.27667	3.6
606.28412	5.6
623.28687	100.0
624.28937	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
67.82212	0.7
68.30455	0.7
69.16976	0.8
69.17278	7.3
71.25223	0.7
76.47785	0.7
91.84234	0.8
118.31293	0.7
120.58073	0.7
197.92632	0.8
237.47623	0.8
376.17047	0.8
377.17609	1.0
390.18539	1.9
391.19370	3.6
392.20056	2.9
393.20737	1.7
399.16312	1.2
400.17456	0.9
401.17773	1.3
403.20126	1.1
404.20615	2.0
405.20953	5.5
406.21753	3.4
407.22327	11.2
413.17883	2.0
414.18567	2.7
415.19397	4.5
416.20767	1.2
417.21384	1.1
419.22498	1.9
420.23203	2.2
421.23886	9.1
422.24899	1.8
427.19470	2.7
428.20190	2.5
429.20950	10.5
430.21729	2.8
431.22791	0.9
433.19797	1.2
433.24719	1.4
442.22144	1.0
443.22644	6.6
444.23422	4.6
445.20328	2.0
447.17914	1.9
449.23340	1.0
456.19910	1.2
457.24887	3.3
458.24911	5.6
459.21848	5.9
460.23135	1.1
461.19266	4.5
462.20453	1.8
463.21588	1.5
470.21176	0.9
471.21695	0.8
472.22662	5.8
473.24005	1.6
475.20853	4.4
476.21732	4.3
477.22821	2.3
484.19214	1.9
485.23618	13.8
486.19345	1.3
486.24326	2.8
487.20908	1.2
488.22086	1.6
489.22812	3.4
498.20746	0.9
499.21375	3.1
500.22079	2.7
503.24542	6.1
513.23059	3.2
514.23682	1.3
517.26227	5.9
529.25989	1.1
531.24127	1.0
535.27100	3.5
545.25507	78.2
546.25519	1.9
563.25708	1.0
564.27197	1.2
573.24963	17.9
574.24927	1.3
591.26117	1.4
605.27600	100.0
606.28009	2.8
623.28656	94.4
624.28748	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71215	0.3
52.14061	0.2
55.05506	0.6
57.11372	0.3
67.05508	0.9
69.07078	0.4
75.02183	0.2
79.05495	1.0
81.07070	1.3
83.04965	0.3
91.05497	1.2
93.07046	1.1
95.08614	0.3
105.07034	0.9
107.08605	0.6
109.10144	0.4
117.07025	0.6
119.08611	0.9
121.10204	0.3
131.08594	0.5
143.08586	0.3
145.06564	0.4
145.10123	0.4
153.17245	0.3
153.47319	0.3
155.08719	0.3
159.08128	0.3
221.10814	0.3
223.12282	0.5
225.13905	0.4
237.10341	0.3
271.17062	0.4
289.18091	0.4
324.14893	0.3
352.14847	0.3
375.16135	0.3
377.17502	0.6
385.15579	0.3
387.16153	0.4
388.16861	0.6
389.17923	0.8
390.18503	0.8
391.19391	1.5
392.20190	0.5
400.17609	0.3
401.17859	0.8
402.18549	1.1
403.14774	0.3
403.19498	2.3
404.20004	1.1
405.16272	0.3
405.21249	2.2
406.21472	0.5
407.22327	1.0
415.19553	1.6
416.20734	1.3
417.16946	1.5
417.20944	1.9
418.21841	0.8
419.17758	0.5
419.22806	4.2
420.18466	0.3
420.23306	0.9
421.24109	0.6
429.16220	0.5
429.20905	1.2
430.17038	2.1
431.17755	3.3
431.23120	1.3
432.19379	1.2
432.24017	0.6
433.20184	6.1
433.25479	0.4
434.20786	0.9
435.21860	0.5
441.16672	0.4
442.17688	0.3
443.17896	1.6
444.18839	1.8
445.19800	6.9
446.21106	4.3
447.21997	5.1
448.22543	1.5
449.23721	0.5
457.20392	0.5
458.21002	6.2
459.21713	5.5
460.22617	4.1
461.19382	0.9
461.24078	0.5
462.20612	1.0
463.21298	1.7
465.23010	0.3
471.22235	0.4
472.22803	1.0
473.23862	1.9
475.21066	1.6
476.21661	2.1
477.22925	2.2
485.23990	0.7
486.24445	0.5
487.25284	0.4
489.22980	0.8
490.24146	0.4
491.24689	0.6
503.24487	0.9
504.25085	0.5
505.22635	1.6
513.22272	0.4
517.22778	1.0
518.22974	3.6
519.23926	0.4
520.24115	0.3
521.21790	1.4
531.23688	0.6
532.24304	1.5
533.25610	7.9
534.25806	0.5
535.26636	1.7
536.23798	0.5
545.25378	2.9
546.26190	0.9
548.23798	0.3
549.25287	0.4
562.26178	0.5
563.26501	10.9
564.26740	0.7
573.24896	0.8
577.28137	0.9
591.26263	0.9
605.27606	10.3
623.28632	100.0
624.29266	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
84.18909	0.4
98.21523	0.9
104.52905	0.4
119.09752	0.4
144.80756	0.4
211.12209	0.4
214.08534	0.4
237.13971	0.4
375.16202	0.6
376.16806	0.6
377.17535	0.8
378.18341	0.7
389.18637	0.7
390.18585	0.9
391.19226	2.8
392.19977	1.6
393.20798	0.8
401.17548	1.0
403.19266	1.0
404.20383	0.6
405.20920	3.0
406.21643	3.2
407.22382	8.3
413.17462	0.6
414.18616	0.7
415.19550	2.0
416.19904	0.6
417.20813	0.7
419.18204	1.1
419.23010	0.9
420.23160	2.3
421.23962	8.5
422.24609	2.5
427.19452	0.7
428.20248	1.0
429.21057	4.1
430.21967	1.0
431.18201	0.8
432.19739	0.7
433.15439	0.6
433.20081	1.0
433.24728	0.9
434.25009	0.5
443.22510	2.3
444.23276	1.4
445.20303	1.3
446.21063	0.6
447.18320	1.2
448.26593	0.5
449.22858	0.6
456.19446	0.5
457.24188	1.2
458.25269	2.9
459.22388	2.9
460.22537	1.5
461.19101	3.2
462.20660	1.2
463.21011	0.9
470.21304	0.6
472.23035	2.8
473.24347	0.8
475.21204	4.9
476.21707	3.5
477.22739	2.7
484.19269	0.7
485.23566	6.4
486.20633	1.6
486.25067	0.6
487.21268	1.5
488.22156	0.9
489.23053	2.9
499.21301	5.9
500.22165	1.3
502.23560	0.5
503.24533	9.6
504.25540	0.8
505.22156	1.0
507.24243	1.1
508.28690	0.7
513.22638	2.3
514.23242	0.8
515.24652	1.1
517.21466	1.2
517.26251	2.0
521.25598	1.1
529.26263	0.6
531.23993	1.0
535.27057	6.4
541.22021	0.6
545.25525	28.5
546.26135	0.9
563.26508	1.6
564.27271	1.8
573.25128	7.7
577.27997	1.5
591.26422	2.6
605.27600	17.5
606.28143	0.5
623.28674	100.0
624.29004	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66360	0.9
61.30857	0.9
62.45498	1.0
67.56545	1.1
70.77366	1.2
70.82196	2.5
81.07081	1.4
86.69119	1.3
102.50168	1.0
119.56257	1.0
120.61833	1.2
142.35120	1.1
175.08546	1.1
212.87424	1.1
391.19086	1.1
392.20218	1.4
406.21698	1.2
407.22382	2.2
432.19461	1.4
433.19870	2.5
435.21951	4.0
447.18265	3.9
448.18536	3.8
449.23297	3.8
459.21964	1.4
461.19858	3.7
462.20398	4.0
463.21002	9.1
471.90491	1.2
475.21112	3.0
476.21756	9.8
477.22760	10.3
478.23471	3.0
504.20963	1.7
535.23901	1.7
536.23438	5.3
537.24689	1.8
545.25531	2.7
547.26691	1.4
548.23810	1.7
549.24976	3.7
550.25342	2.2
563.26434	18.1
564.27087	10.9
580.26453	1.3
591.26227	10.1
594.25061	3.0
595.28888	4.5
605.27429	3.8
608.25970	2.6
623.28461	100.0
624.28821	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06269	0.3
55.05502	0.5
67.05504	0.9
70.07645	1.3
79.05492	1.1
81.07069	0.7
83.04987	0.4
83.08646	0.3
91.05483	1.0
93.07053	0.8
95.04982	0.3
95.08635	0.5
105.07043	0.9
107.08575	0.6
119.08598	0.4
121.10136	0.3
129.07039	0.5
131.08556	0.7
133.10262	0.3
134.65094	0.3
159.08113	0.3
171.11725	0.2
173.87807	0.2
183.09285	0.2
209.10846	0.4
233.15430	0.3
271.17136	0.3
289.17914	0.6
361.14606	0.6
375.16232	0.6
376.17062	0.5
388.18173	0.5
389.13690	0.4
389.18228	0.6
390.18616	1.0
391.19223	1.2
392.20129	0.6
400.17322	0.4
401.17615	0.8
403.15210	0.4
403.19830	0.5
404.16107	0.6
404.21051	0.6
405.20874	4.0
406.21606	0.4
407.22122	0.3
413.17914	0.3
414.18555	0.4
415.19272	0.9
416.20413	0.7
417.16483	0.5
417.21225	0.6
418.17886	0.9
419.17935	1.4
419.23199	0.7
420.23691	1.6
421.24042	0.8
427.19519	0.5
428.19980	0.6
429.21017	2.3
430.21619	1.0
431.18002	0.4
431.23019	0.7
432.19547	0.4
433.19760	3.4
434.20581	0.7
435.21936	0.9
443.23004	1.3
444.23819	1.3
445.19604	0.5
445.24707	0.6
446.17419	1.0
447.17725	6.8
448.22763	3.3
449.23572	2.3
452.22226	0.8
456.19821	0.4
457.23947	1.0
458.24579	0.9
459.21664	3.0
460.23022	1.4
461.19366	9.0
462.20752	1.2
463.21426	0.9
470.20892	0.4
471.22281	0.6
472.22305	1.7
473.23691	1.3
475.21002	1.8
476.22073	20.6
477.22656	3.3
479.20755	1.4
485.23502	3.8
486.20142	0.8
487.25510	2.2
488.21964	0.8
489.19211	0.9
489.23770	0.5
491.21213	1.0
503.24643	2.4
504.21411	0.3
508.24484	0.5
511.38205	0.6
513.23047	0.6
515.24377	1.8
517.26270	1.2
518.23126	0.5
519.23584	1.7
521.25952	1.4
531.24060	5.7
535.23901	1.0
536.23682	2.2
545.25531	11.4
546.25519	0.7
547.26813	0.3
549.25269	2.7
559.23358	1.5
563.26447	8.1
564.26459	0.5
591.26147	7.8
605.27563	2.1
623.28644	100.0
624.29089	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01864	3.0
55.05514	6.4
57.03432	2.0
57.07059	0.8
62.57514	0.6
65.03942	1.0
67.05180	1.0
67.05509	15.7
69.03421	1.1
69.07073	6.6
69.38325	4.5
71.05006	1.6
75.88755	0.6
79.05499	11.9
79.53887	0.6
81.03428	3.5
81.07059	12.4
83.04974	2.5
83.08620	2.7
85.06538	0.9
85.97715	0.6
91.05486	15.5
93.07050	10.5
95.04975	3.0
95.08617	9.7
97.02834	0.7
97.06538	2.6
97.10181	1.9
98.21489	1.0
99.08085	1.1
103.05509	0.8
105.04534	0.7
105.07041	11.7
107.04955	2.7
107.08607	7.7
109.06519	1.6
109.10150	4.6
110.46223	0.6
111.08096	0.9
115.05503	1.2
117.07015	4.8
119.08604	8.1
121.06526	1.9
121.10152	3.8
123.04464	0.6
123.08080	1.0
125.09624	1.2
128.06274	1.4
129.07050	3.3
131.08582	7.2
133.06451	0.8
133.10132	7.3
135.08047	1.9
135.11707	1.7
141.06972	1.5
142.07764	1.1
143.08545	4.5
145.10118	6.0
147.08099	1.0
147.11711	3.3
149.09634	2.5
149.13240	1.0
151.11240	1.2
153.07060	0.7
155.08568	3.1
156.09290	0.7
157.10155	3.3
159.08064	1.4
159.11693	3.9
161.09634	0.7
161.13260	1.4
163.11209	1.9
163.14772	0.7
165.06964	0.7
167.08606	1.1
169.10146	2.9
171.08115	0.8
171.11732	2.6
173.09575	0.6
173.13303	2.1
177.12828	0.9
179.08643	0.9
179.14340	0.7
180.66060	0.7
181.10146	2.4
183.11717	3.5
184.07332	1.8
185.09653	0.8
185.13350	1.8
187.14781	0.7
189.12709	0.7
193.10172	1.2
195.11784	2.0
197.13322	1.6
201.16504	0.9
207.11589	0.7
209.10802	1.0
209.13316	1.9
211.14902	0.9
213.16399	0.7
221.13278	0.9
223.14847	1.1
239.18019	1.5
257.19067	2.4
275.20081	9.4
289.18265	1.0
293.21149	0.7
331.22614	0.9
349.23856	0.8
363.16400	1.5
375.16452	1.2
376.17166	0.9
377.17758	2.1
378.18634	0.9
385.14874	0.7
386.15738	0.7
387.15891	1.3
389.18027	1.2
390.18723	0.7
391.19318	3.2
392.19785	1.5
393.20764	2.0
399.16245	1.1
400.16702	1.1
401.17825	2.6
402.18744	0.7
403.19656	1.2
405.16614	1.1
405.21130	1.7
407.22397	3.4
412.17432	0.7
413.17581	2.0
414.18597	1.3
415.19452	3.3
416.20786	1.0
419.18607	2.6
419.23300	1.2
421.20386	0.9
427.19427	1.3
428.19992	1.1
429.20895	2.8
430.21585	1.9
431.18723	1.3
433.16101	1.4
433.21106	1.0
433.30905	0.7
435.21863	2.1
437.18311	0.8
443.17819	1.4
443.22824	2.1
444.19595	2.0
445.20142	1.6
446.21298	1.5
447.17447	4.7
448.18787	1.3
449.19040	0.8
458.21396	0.9
459.18323	2.2
461.19598	4.0
462.20398	2.3
463.21353	2.9
466.20358	1.0
471.22247	4.3
472.18527	1.4
473.19540	4.2
474.20505	2.6
475.16986	2.0
475.22031	1.8
476.18552	2.0
484.18863	0.9
485.19894	2.8
486.20386	2.4
487.21649	1.2
489.22937	5.3
490.19315	3.9
491.20538	4.9
499.21390	11.9
500.18582	1.3
501.23657	4.2
502.19946	1.3
503.20810	5.2
507.24002	1.8
513.19385	4.2
514.20050	1.7
516.21533	0.8
517.22449	15.9
518.22430	1.1
519.20386	0.9
527.20978	2.2
528.21503	1.1
529.22339	7.9
531.20343	2.3
531.38226	2.8
535.23376	2.7
536.24512	1.1
545.21826	24.9
546.22076	1.0
547.24097	0.7
549.38959	1.3
554.48462	0.8
555.19849	1.3
563.23334	1.9
564.23615	1.7
573.21484	8.7
577.24506	4.3
591.22577	6.1
595.25574	1.3
605.24011	44.5
605.41626	3.8
606.23645	1.8
623.25012	100.0
623.42188	21.9
624.25195	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	623.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03929	3.0
55.01881	5.1
55.05514	22.9
57.03416	3.5
57.07062	2.3
61.83301	0.7
65.03908	2.5
67.05511	29.3
68.37412	0.9
69.03407	2.3
69.06735	0.9
69.07071	13.2
70.95447	1.8
71.04971	2.2
77.03910	1.0
79.05500	29.3
81.03423	15.0
81.06601	1.8
81.07061	28.3
83.04956	2.7
83.08624	9.5
85.06520	1.1
91.05486	24.5
93.06503	1.5
93.07054	21.2
94.64242	0.7
95.04987	7.4
95.08063	1.2
95.08614	18.5
96.38677	0.7
97.02893	1.1
97.06536	4.5
97.10176	10.5
99.08116	1.1
102.06495	0.7
103.05495	1.5
105.04479	1.5
105.07038	21.8
107.04980	4.2
107.08601	16.5
109.06496	2.4
109.10155	7.3
111.04372	1.0
111.08070	1.6
112.99971	1.0
113.09786	0.7
115.05483	4.1
116.06213	1.3
117.06242	1.1
117.07022	15.1
117.35697	0.7
119.04912	0.8
119.08590	16.1
121.06479	3.1
121.10171	7.2
123.08035	2.6
123.11716	2.4
125.09644	9.6
128.06192	2.6
129.07024	10.2
130.07788	1.4
131.04855	1.3
131.08575	12.9
132.08202	0.8
133.06488	2.9
133.10143	10.0
134.82828	0.8
135.08043	2.9
135.11702	4.5
137.09604	1.9
141.06952	4.4
142.07739	2.1
143.08559	11.2
144.08066	0.9
144.09276	0.8
145.06490	5.5
145.10150	11.5
147.08041	3.1
147.11713	6.1
149.09607	1.9
149.13245	2.2
153.06941	1.8
154.07817	0.9
155.08556	7.5
156.09268	1.6
157.06485	0.8
157.10146	10.9
159.08003	1.6
159.11708	8.4
160.05232	1.9
161.05945	3.1
161.09584	2.0
161.13271	1.7
163.11183	1.0
165.06990	1.6
166.07722	1.1
167.08583	5.3
168.09312	1.1
169.10107	8.5
170.10982	1.2
171.08014	1.4
171.11697	6.7
173.05968	3.0
173.09627	1.7
173.11815	1.2
173.13213	3.9
175.11162	1.6
175.14804	1.0
179.08527	2.2
181.10117	5.0
183.08060	0.9
183.11703	8.5
185.09576	1.0
185.13268	4.2
187.07538	1.0
187.11201	0.8
187.14825	1.7
189.09161	0.7
189.11183	5.0
189.12685	1.3
192.09370	1.0
193.10071	1.1
195.11751	4.2
197.09526	1.0
197.13275	5.6
199.11157	1.6
199.14804	2.9
201.16357	1.0
207.11700	2.1
209.13206	3.1
211.14822	3.5
213.16370	2.1
215.17894	1.0
219.11641	1.0
221.13191	2.5
223.14917	1.9
225.16280	2.5
227.12723	4.4
229.19490	1.1
233.13069	1.5
235.14836	2.0
237.16330	1.4
239.17915	2.3
241.19444	1.7
243.13710	1.0
247.14775	0.9
249.16319	1.7
251.11693	1.0
251.14127	0.8
251.17923	1.4
253.16023	1.0
253.19579	0.8
257.18948	3.0
259.20435	2.5
261.18680	1.0
265.19421	1.3
271.13480	1.7
271.16855	4.7
273.18442	2.0
275.20197	3.7
281.22629	0.9
289.17902	1.3
291.19528	5.9
309.21921	0.9
312.15024	1.0
315.23221	1.1
331.22833	0.9
335.25891	2.7
345.16830	1.2
349.23605	1.0
353.24698	1.3
363.26843	1.4
375.16595	1.7
376.17395	1.0
377.17581	3.0
377.28534	1.2
378.18433	1.1
379.30237	4.7
381.27985	1.3
385.14151	1.0
386.15582	0.9
387.16080	1.3
388.17661	1.0
389.17810	1.9
390.18320	2.5
391.19208	4.3
392.19843	3.3
393.20831	3.7
399.15939	2.1
400.16818	2.4
401.17877	5.9
402.18628	1.4
403.19089	2.4
405.16632	1.9
405.21106	1.9
407.22464	6.5
413.17474	3.5
414.18387	3.0
415.19565	6.7
416.20145	1.3
417.21558	3.9
419.18466	3.6
421.20020	2.3
425.17526	1.4
427.19598	1.6
428.19702	3.2
429.16351	2.3
429.20700	4.2
430.21500	2.7
431.18011	1.7
431.23245	1.3
433.16205	2.0
433.24353	1.5
435.21667	3.3
441.17245	1.5
443.22299	5.0
444.19092	3.9
445.20105	3.2
446.21060	1.1
447.17276	5.0
447.27112	0.9
448.18857	2.0
449.19269	1.4
456.19315	1.2
457.20651	1.4
458.20898	2.7
459.17169	1.7
459.22623	1.1
461.19299	5.4
461.29791	0.9
462.20422	3.4
463.20813	3.8
471.22314	8.9
472.17871	1.1
473.18295	3.8
473.24228	1.5
474.20358	3.5
475.21014	4.6
476.17798	1.2
477.22617	3.6
480.24936	0.9
484.19589	1.0
485.19553	2.8
486.20544	4.0
489.22467	7.5
490.19287	6.9
491.20694	3.0
499.14545	1.1
499.21405	17.6
500.18488	3.4
501.23267	5.2
503.20547	4.8
506.26724	1.0
507.24356	1.8
508.24622	1.2
511.21512	1.4
511.38297	1.5
513.19128	2.2
513.37067	1.6
514.19843	2.4
517.22345	12.2
518.22559	1.8
519.27704	1.2
525.35760	4.5
527.20734	2.7
529.22443	10.9
531.37891	3.0
535.23425	5.4
536.24139	1.5
545.21796	52.7
547.26843	4.5
549.24561	3.2
549.39026	3.2
550.25891	7.6
554.35748	1.6
555.20172	1.4
563.23608	2.8
573.21338	16.9
579.29810	4.1
591.25323	3.4
595.25562	1.2
605.23926	100.0
605.40070	10.7
606.24158	2.5
623.25031	87.4
623.42944	55.9
624.25183	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	622.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11320	0.7
57.71169	0.8
59.04447	0.7
67.05502	1.8
71.04990	0.9
71.08607	1.0
79.05509	0.9
80.05853	0.8
81.07063	1.0
91.05416	0.9
94.20496	0.7
106.13400	0.8
107.08634	0.9
109.10204	0.8
115.88085	0.7
119.08569	0.9
133.10112	1.2
172.04010	0.8
182.92686	0.8
183.09422	0.9
185.10805	0.8
207.09351	0.7
209.10748	1.4
210.11575	1.0
223.08755	1.6
223.12267	1.6
225.13841	1.6
237.10258	1.1
237.13878	1.4
251.08174	1.0
257.27966	0.8
261.10431	1.2
261.13763	0.8
273.18649	1.0
274.18604	0.9
291.19696	1.1
295.10806	0.9
298.13272	0.9
310.13678	0.7
313.27472	1.2
314.27890	1.1
326.12970	1.0
336.11139	0.7
338.12341	1.1
338.16415	0.9
342.12692	0.9
347.18259	0.8
352.14505	1.0
354.12427	0.8
372.14444	0.9
375.16431	1.2
389.18033	1.8
390.14325	0.8
390.18878	1.4
391.19238	1.6
402.14188	1.1
403.15527	2.5
403.19901	1.7
404.16064	1.4
405.20908	2.8
416.16614	1.5
417.17032	5.3
418.17538	3.7
419.18530	2.8
419.23221	1.0
420.23434	1.5
429.17169	0.9
431.18951	2.8
432.19647	3.1
433.20898	4.2
444.15854	0.9
445.16776	3.5
446.17099	1.8
447.18066	7.8
447.22491	5.6
448.19037	3.5
449.23813	1.1
459.18076	2.3
460.19058	3.4
461.19449	10.2
462.20370	7.1
463.21396	1.2
473.19913	1.0
474.20547	1.4
475.21341	19.5
476.22214	11.1
477.22977	9.7
488.21936	1.1
489.23364	1.7
503.20102	4.5
505.22556	1.1
519.24255	1.1
521.22302	2.7
533.22089	1.6
534.26440	1.6
535.23053	12.9
536.24316	2.8
547.23297	4.1
548.24359	1.6
549.24860	2.8
562.25574	9.0
563.26544	17.4
575.22638	1.4
579.26239	2.7
590.25256	6.4
593.27911	4.0
594.28375	5.1
605.27692	1.0
607.25562	5.5
622.27856	100.0
623.28235	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	621.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.1
55.01867	12.2
55.05505	14.2
57.03446	25.8
57.07082	24.3
58.18071	2.8
65.03931	4.3
67.05184	6.4
67.05511	65.8
69.07070	15.2
69.26392	28.6
71.08636	21.7
79.05500	31.8
81.07066	44.2
83.04985	4.7
83.08621	9.6
85.06544	13.4
85.10188	10.0
91.05495	29.7
93.07059	25.5
95.04972	48.7
95.08621	32.6
95.29090	2.9
97.06530	4.9
97.10163	7.2
105.07034	21.6
107.04955	11.9
107.08607	18.3
108.61004	2.9
109.06528	64.5
109.10147	11.7
113.06030	27.5
115.05387	3.6
117.07031	16.4
119.08585	11.3
121.06493	7.1
121.10159	8.0
123.08041	3.4
128.06255	3.3
129.07024	8.4
129.33990	2.9
131.08594	19.2
133.10162	9.0
135.08080	44.2
135.11696	7.3
143.08499	9.2
145.10138	10.0
147.08087	7.3
147.11726	4.6
149.09639	6.4
149.13179	3.7
157.10146	6.7
158.95927	2.9
159.11681	4.3
161.09628	11.2
162.14035	3.0
163.11197	6.4
173.13280	4.7
177.12827	5.3
185.13266	3.0
199.14815	4.2
217.15894	13.3
273.18503	50.6
291.19577	100.0
313.27435	48.1
347.21939	5.8
365.23160	11.4
367.79037	3.4
392.17596	3.1
509.40958	9.9
561.24933	4.2
585.45520	6.1
603.46161	39.9
621.27545	16.1
632.30634	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	622.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72078	1.1
55.05504	1.6
67.05498	2.6
71.51788	1.4
71.52128	1.2
71.60160	1.1
79.05488	2.8
79.53192	1.1
81.07053	2.0
84.65347	1.3
91.05473	2.4
93.07066	1.9
109.10177	2.0
116.62640	1.4
122.01164	1.3
128.44658	1.2
133.10072	1.4
136.46890	1.2
154.24954	1.2
184.07448	1.5
187.96616	1.3
190.25464	1.2
219.85367	1.2
223.12260	1.7
225.13904	1.3
237.14000	1.9
273.18674	1.4
274.18768	1.5
299.15057	1.2
313.27444	2.9
314.27887	1.9
340.14453	1.3
386.36459	1.3
388.17285	1.3
389.17841	2.0
403.19516	2.3
404.20374	1.6
417.17252	4.6
418.18039	2.3
431.18970	2.1
432.19403	3.2
433.20303	3.0
445.16205	2.5
446.17303	3.7
447.17841	5.9
447.22305	6.1
448.18594	2.0
459.18109	3.0
460.19122	4.1
461.19623	8.7
462.20569	6.7
475.21317	20.4
476.22116	12.5
477.23096	10.0
489.23102	2.9
503.21112	4.1
515.20917	1.9
517.22412	1.6
521.21552	1.7
533.25690	1.8
534.25995	1.7
535.23077	12.3
536.24292	3.4
547.23328	2.7
549.25507	2.0
562.25446	12.8
563.26617	18.2
575.23077	1.7
590.25305	5.2
593.26831	5.3
594.28387	6.5
604.27124	1.3
607.25262	5.9
622.27844	100.0
623.28436	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	621.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.1
53.03950	9.4
55.01881	8.1
55.05516	26.3
57.03434	9.3
65.03947	3.8
67.05514	39.9
69.03427	18.8
69.07076	12.4
70.76861	5.8
71.04992	6.2
73.39083	1.8
79.05502	40.3
81.03425	100.0
81.07059	41.2
83.04984	18.6
83.08621	18.5
84.08112	2.2
85.02919	22.9
85.06529	2.3
91.05490	39.0
93.07053	27.2
95.04976	45.4
95.08608	12.5
97.02882	20.1
97.06569	9.6
97.10170	13.1
99.04455	3.9
99.56064	2.1
103.03918	2.9
103.05482	3.2
105.07039	29.8
105.07700	3.7
107.04965	14.3
107.08618	16.8
109.02891	12.0
109.06524	7.5
109.10138	11.4
111.04452	7.1
111.08103	7.3
115.05490	3.1
117.07015	11.4
119.04992	2.1
119.08589	22.1
121.02834	3.5
121.06492	10.3
121.10153	8.8
123.03625	2.3
123.04437	8.6
123.08073	4.5
123.11732	2.5
125.09654	10.5
127.03926	8.2
128.06235	3.1
129.07004	15.5
131.04926	6.7
131.08574	11.6
133.06505	7.5
133.10117	10.0
135.04398	2.3
135.08060	5.7
135.11673	4.5
137.05997	4.1
137.09634	2.5
141.06970	2.4
142.07764	2.9
143.08578	5.9
145.06508	9.4
145.10172	11.2
147.04427	5.2
147.08054	9.3
147.11716	15.4
149.05977	6.0
149.09634	6.1
153.01884	3.8
155.08554	3.3
157.06569	3.8
157.10173	8.7
158.07240	2.2
159.08051	4.9
159.11757	2.7
161.05986	5.8
161.09744	3.5
161.13239	3.0
163.11194	11.0
165.06990	2.4
165.12808	3.3
167.08545	2.7
169.10207	2.4
171.08046	4.9
171.11691	3.8
173.04463	8.7
173.06012	5.2
173.09608	2.5
175.03839	2.2
175.07611	2.8
175.11220	7.3
177.12743	2.8
181.10182	2.6
181.12207	3.0
183.08060	3.2
183.11629	2.7
185.09639	3.0
187.07558	3.8
187.11195	2.6
189.05594	3.7
189.09132	2.2
189.11237	3.0
189.12793	3.9
191.10680	3.2
193.12291	21.9
197.13243	2.1
205.12222	4.7
206.69769	2.2
211.11366	3.2
211.13280	21.7
223.13275	3.9
227.12775	4.0
235.13153	10.2
248.03949	2.2
249.07649	4.5
249.14922	3.3
255.13730	2.4
267.15948	11.0
273.14844	16.8
277.14362	3.5
285.17035	5.6
289.14432	2.5
299.00717	2.3
301.14304	17.4
303.15948	3.5
309.16797	3.3
319.15475	10.9
346.16830	2.2
349.21710	2.9
357.24326	2.2
367.22641	5.9
375.18076	6.2
385.23749	11.6
393.19086	4.7
403.24823	3.5
441.26190	2.4
459.27380	15.1
475.24979	2.5
477.28619	5.8
483.27686	2.4
493.25546	2.9
501.28009	5.2
525.28192	2.5
555.28900	3.3
567.28894	5.5
573.30872	3.9
585.30756	13.9
603.31573	18.3
621.32745	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54397	1.6
53.03949	10.2
54.81435	1.8
55.01870	6.6
55.05515	21.6
55.27461	1.7
57.03439	9.1
58.94044	1.3
65.03934	3.8
67.05512	28.6
69.03436	15.3
69.07082	7.6
69.31863	11.2
69.32275	2.8
71.01334	1.9
71.05001	5.1
72.54689	1.6
73.02894	1.6
79.05489	31.1
80.20193	1.5
81.03424	100.0
81.07060	37.8
83.04989	14.3
83.08628	20.3
85.02921	18.0
85.06531	2.9
91.05489	40.0
93.07054	20.2
95.04972	30.4
95.08609	12.1
97.02898	15.0
97.06524	4.4
97.10185	8.3
99.04474	3.1
103.05466	2.4
105.04504	2.5
105.07034	27.3
107.04975	10.3
107.08589	10.1
109.02885	26.3
109.06522	5.2
109.10169	6.5
111.04478	9.3
111.05115	1.7
111.08101	8.1
113.00542	1.6
113.06030	2.3
115.05429	3.6
115.47747	1.7
117.07033	7.4
119.04971	1.7
119.08600	20.1
121.06537	7.0
121.10150	8.9
123.04425	4.5
123.08094	2.6
125.02373	4.7
125.09626	5.8
127.03928	8.0
128.06232	4.6
129.07018	13.9
131.04987	3.6
131.08582	12.0
133.06483	3.6
133.10135	12.8
135.04454	2.2
135.08011	1.5
135.11702	4.0
137.05968	3.1
137.09616	2.2
141.06998	2.8
142.07864	4.0
143.08553	3.1
145.06514	5.1
145.10150	7.8
147.04417	3.5
147.08080	4.0
147.11700	16.5
149.06058	2.9
149.09653	5.5
155.08578	2.9
157.06540	2.0
157.10129	13.5
159.11809	2.1
161.06009	2.6
161.09601	2.2
163.11218	5.5
165.12778	5.7
167.08653	1.7
171.11661	3.3
173.04510	6.0
173.09676	3.3
175.11218	13.0
181.12227	2.7
189.11200	3.2
191.10645	3.9
193.12271	40.8
205.12476	1.8
211.11334	3.7
211.13307	47.1
212.13737	1.5
227.12752	4.4
235.13220	1.9
249.14888	3.6
255.13890	2.1
259.13446	3.2
267.15936	11.4
273.14835	8.7
277.14407	1.6
283.13144	2.9
285.17154	9.0
289.14191	2.8
291.16104	1.8
301.14355	12.0
303.16071	3.1
313.16559	2.1
314.19998	1.6
319.15405	7.2
337.16513	5.1
355.17758	2.4
367.22751	2.1
375.18213	4.4
385.23862	3.5
393.19208	4.8
403.24884	2.8
411.20328	2.1
453.45288	1.6
459.27502	6.0
477.28375	8.7
495.29556	6.0
585.30859	11.6
603.31708	9.2
621.32690	59.9
622.32703	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	621.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.9
52.91205	1.0
53.03947	8.0
55.01878	6.7
55.05265	1.6
55.05515	19.8
57.03447	6.7
65.03943	3.1
67.05507	31.1
69.03082	1.4
69.03422	15.9
69.07066	7.3
71.01342	1.5
71.05007	5.8
73.02921	1.8
79.05496	34.0
81.03423	100.0
81.07059	30.4
83.04984	18.0
83.08624	17.7
85.02909	16.4
85.06564	2.3
91.05490	39.8
93.07051	23.0
95.04976	32.5
95.08613	11.5
97.02890	15.2
97.06544	7.2
97.10180	6.1
99.04437	4.4
99.08041	0.9
103.03946	1.3
103.05502	1.4
105.07040	29.0
107.04961	9.9
107.08603	12.4
109.02884	19.5
109.06538	7.1
109.10167	7.1
111.04463	10.5
111.08088	7.9
112.32261	0.9
113.06036	1.1
115.05434	4.7
117.07034	9.9
119.04973	2.5
119.08592	21.4
120.90250	0.8
121.02902	1.3
121.06542	6.8
121.10149	8.8
123.04424	5.4
123.08064	3.0
123.11719	2.3
124.11056	0.9
125.02372	3.6
125.06007	1.0
125.09633	4.9
127.03907	8.0
128.06241	3.2
129.05475	1.2
129.07004	12.8
130.07820	0.9
131.04948	3.0
131.08578	12.9
133.06525	6.0
133.10156	12.5
135.08080	4.6
135.11696	4.8
137.02370	1.0
137.06015	1.8
137.09612	1.3
141.07022	2.9
142.07788	2.7
143.03384	1.2
143.08591	4.0
145.06505	4.9
145.10155	5.5
147.04442	2.6
147.08093	3.7
147.11693	15.8
149.05980	3.1
149.09650	6.7
151.03966	1.0
151.11211	1.8
153.01830	11.1
153.02849	1.2
153.12804	2.2
155.08607	2.8
157.06508	1.9
157.10123	12.1
159.08031	2.3
159.11732	2.3
161.05984	3.2
161.09596	1.2
163.03928	1.0
163.11195	6.3
165.06999	0.9
165.12790	3.7
167.08609	1.2
169.06616	0.9
169.10107	2.0
171.08133	2.9
171.11705	1.8
173.04509	4.0
173.05948	2.0
173.09651	3.0
175.07562	0.9
175.11191	13.4
175.14954	1.1
177.05428	1.2
177.12822	1.2
181.12297	2.1
183.08037	1.7
185.09570	1.5
185.13246	1.3
186.38316	1.0
187.07597	1.2
187.11212	2.1
189.05553	2.6
189.09145	1.2
189.11270	1.8
189.12817	1.6
191.10721	4.2
193.10426	1.9
193.12247	38.5
197.13167	1.4
199.11208	1.7
201.12813	1.3
205.12234	2.3
207.13840	1.1
211.13292	36.5
213.12830	1.5
215.10809	1.0
223.13252	1.2
225.12720	1.2
227.12692	6.6
227.14630	0.8
229.14328	1.2
229.49620	1.1
235.13409	3.1
237.12756	1.2
247.13364	1.8
249.07774	2.2
249.14922	1.8
255.13893	1.9
259.13403	1.7
261.14893	1.5
265.14520	1.1
266.15283	0.9
267.15985	10.8
273.14841	9.5
283.13150	2.2
285.17065	5.3
289.14374	2.0
291.15921	1.4
293.17056	1.0
301.14297	9.0
301.17215	1.0
305.03122	1.0
307.15366	0.9
309.17276	1.2
310.33273	1.0
317.06546	2.3
319.15417	6.2
333.17056	1.2
337.16348	5.0
355.17596	4.2
357.16699	1.3
357.24185	1.1
367.22894	2.7
375.18100	3.8
385.23611	5.1
393.18970	4.7
399.98648	0.9
403.24850	1.4
411.20261	2.4
441.26663	1.3
459.27405	6.6
465.27051	1.0
477.28595	6.5
495.29691	4.8
501.28448	1.3
543.29608	1.3
567.29144	2.2
573.30737	1.6
585.30603	7.7
603.32013	8.0
621.09009	1.9
621.32739	57.2
622.33093	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	621.271
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05510	0.6
57.03429	0.4
57.07082	0.9
64.99236	0.4
67.05507	1.2
69.07071	0.5
71.52037	0.4
77.99677	0.5
79.05495	0.6
81.07062	1.5
83.08637	0.5
85.45866	0.4
91.05490	0.8
93.07055	0.6
95.08656	1.0
98.98480	0.8
105.07037	1.0
109.10194	0.8
129.62772	0.4
156.65192	0.4
157.10226	0.4
166.77428	0.4
211.13245	1.1
276.63730	0.4
291.19550	0.6
333.68744	0.4
375.16110	0.8
376.17380	0.5
387.15942	0.9
388.17014	1.4
389.17679	2.5
390.18558	1.6
391.19312	0.9
400.00229	0.4
401.17892	1.2
402.18585	1.5
403.14905	0.5
403.19598	3.2
404.20004	3.7
405.20868	1.2
409.39807	0.4
414.18521	1.0
415.19382	1.3
416.15799	0.6
416.20505	0.8
417.16724	1.5
417.21725	2.9
418.22263	0.9
419.22345	5.5
420.23138	0.9
429.21426	0.5
430.17532	0.7
431.18771	3.7
431.23087	2.0
432.18631	0.6
432.23682	0.9
433.24277	1.1
443.18643	0.6
445.20596	3.6
446.20926	3.5
447.21512	5.9
453.64130	0.5
459.17929	2.1
459.22467	1.7
460.18814	1.3
461.19949	1.6
471.18613	0.6
473.18765	2.3
474.20212	6.6
474.31506	0.5
475.21286	13.9
476.22351	0.8
486.20422	0.8
487.21454	4.7
488.21439	0.8
489.22531	0.5
491.20297	0.5
501.23132	4.4
502.23819	1.1
505.25992	1.5
517.22406	0.5
519.20514	0.9
521.42145	0.7
523.39844	0.7
524.27905	0.5
529.22034	0.9
533.25537	7.7
546.22083	0.7
561.24982	34.7
562.25079	2.2
565.28082	0.5
589.24713	2.0
593.27637	1.0
620.46033	0.8
621.27100	100.0
621.48499	2.4
622.27637	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	621.2711
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
52.57785	0.3
55.01865	0.4
55.05512	0.7
59.74578	0.2
67.05511	1.2
69.07080	0.6
77.22383	0.2
79.05499	1.0
81.03409	0.7
81.07053	1.1
83.04969	0.2
83.08609	0.3
91.05485	1.4
93.07071	0.7
95.04955	0.5
95.08618	0.4
105.07056	0.9
106.06557	0.2
107.08617	0.5
109.06558	0.3
109.10165	0.6
117.07006	0.6
125.09632	0.3
131.08556	0.3
133.10158	0.4
135.11655	0.5
143.08594	0.4
145.10153	0.8
147.08093	0.3
171.11682	0.5
174.51439	0.2
197.10872	0.4
197.13295	0.3
207.09390	0.2
209.10965	0.4
220.63625	0.3
221.10797	0.3
225.98297	0.2
231.82320	0.3
241.13611	0.3
286.13455	0.3
288.14676	0.3
291.19611	0.5
296.11792	0.3
324.15179	0.3
374.15411	0.5
375.16119	0.9
386.16440	0.4
387.16266	1.1
388.17169	1.2
389.17731	2.6
390.18445	1.4
391.19247	0.6
401.13416	0.4
401.17932	0.9
402.14154	0.5
402.18848	1.3
403.19522	5.0
404.20227	2.4
405.20926	2.2
415.19351	1.0
416.15622	1.2
416.20953	0.4
417.17096	3.5
417.21082	2.7
418.17468	0.7
418.21655	1.0
419.22424	6.9
420.23227	0.5
429.16684	0.5
430.17908	0.9
430.22614	0.4
431.18112	6.4
431.23666	0.6
432.19189	2.6
433.20190	2.4
433.24716	0.3
443.18744	0.6
444.19699	0.6
445.20035	5.9
446.21021	6.7
447.21872	9.3
457.20721	0.3
459.17670	1.1
459.22040	1.7
460.18625	0.8
461.19498	1.2
463.21396	0.5
473.19519	1.3
473.24246	0.9
474.20444	6.5
475.21332	8.0
487.21454	2.7
488.21985	0.7
491.21103	0.9
501.22830	1.9
505.26987	1.5
517.22260	0.3
518.22986	0.6
519.20673	1.1
529.22040	0.6
533.25549	14.9
534.25726	0.5
546.23157	0.4
561.25000	21.5
562.25153	0.8
565.28333	0.3
589.24609	0.9
593.27496	3.8
594.27582	0.4
621.27106	100.0
622.27362	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57227	0.7
68.65491	0.6
69.94699	3.5
75.15392	0.6
95.21710	0.6
99.37215	0.7
99.41599	0.7
131.47144	0.7
186.58147	0.7
223.12323	0.7
294.58148	0.8
324.15399	0.7
375.16519	1.0
387.16321	1.7
388.17004	2.3
389.17560	4.2
390.18445	1.9
401.17996	1.6
402.18896	1.3
403.19424	6.5
404.20111	4.0
405.20511	2.3
415.19696	1.0
416.15860	1.0
416.20593	1.2
417.17026	3.7
417.21863	4.4
418.17462	1.0
418.22183	1.1
419.22470	10.6
430.17749	1.7
431.18152	8.9
432.19431	3.0
433.19833	1.6
445.20297	8.0
446.21042	6.1
447.21857	12.8
459.17331	1.8
459.22226	2.5
460.22870	1.2
461.19705	1.5
473.19485	1.4
474.20486	13.2
475.21280	15.2
480.00641	0.8
487.21454	4.3
488.22372	1.5
501.22812	2.5
505.25681	2.5
517.22504	0.9
518.23682	1.1
519.20081	1.0
529.22510	1.1
533.25555	10.4
546.22296	1.2
561.25000	84.6
562.25623	3.7
589.24591	2.7
593.27789	4.9
621.27112	100.0
622.27808	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	621.2706
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.60094	0.3
69.16425	0.8
69.16825	3.0
77.44971	0.4
79.65238	0.4
84.04863	0.4
129.58055	0.3
232.18324	0.3
255.02000	0.4
257.64368	0.3
314.34750	0.4
374.15356	0.6
375.16177	0.4
387.16290	0.6
388.16791	0.7
389.17557	1.7
390.18567	0.5
391.19208	0.6
401.17795	1.0
402.18579	1.0
403.19443	2.7
404.20120	1.7
405.20874	1.8
415.19391	0.5
416.16354	1.2
417.17172	3.1
417.21466	1.2
418.17374	0.6
419.22430	6.7
420.23334	0.5
429.16971	0.8
430.17691	1.0
431.18216	5.3
432.18866	2.4
433.19858	2.3
443.18936	0.5
445.19955	4.7
446.21002	5.9
447.21783	9.5
448.22729	0.8
459.17322	0.8
459.22034	1.8
460.23361	0.9
461.19788	1.5
463.21353	0.5
473.18967	0.8
473.24164	1.0
474.20239	6.1
475.21310	7.6
476.21906	0.8
487.21533	2.8
488.22217	0.6
491.20999	1.4
501.22913	2.0
505.21921	0.7
505.26440	0.7
517.22333	0.5
518.23059	0.7
519.20276	0.5
529.22784	0.7
533.25537	14.5
534.25897	0.5
561.25037	22.4
562.25482	1.0
565.27618	0.4
589.24664	0.6
593.27509	4.5
621.27094	100.0
622.27216	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	620.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03947	1.5
55.01878	1.5
55.05518	7.7
57.03443	8.6
57.07082	1.5
58.73158	0.7
59.05007	1.8
61.02926	3.8
65.03954	1.7
67.05509	60.4
69.03414	2.7
69.07067	9.6
71.04988	3.2
71.51360	0.9
71.51751	1.0
73.02917	0.9
79.05067	1.1
79.05500	13.6
81.03431	4.6
81.06592	1.9
81.07061	33.2
83.04978	4.1
83.08635	8.2
85.02907	3.3
85.06533	2.6
86.09729	0.8
91.05483	11.3
93.07051	20.6
95.04960	3.3
95.08616	10.6
97.02892	2.2
97.06537	4.8
99.08086	1.4
105.07061	4.7
107.04998	1.0
107.08604	15.0
109.02856	1.0
109.06512	1.4
109.10162	43.2
111.04424	1.7
111.08083	4.5
117.06998	2.8
119.08592	5.1
121.06514	1.4
121.10160	6.7
123.11698	1.4
125.09584	0.9
126.76340	0.9
127.03931	1.8
129.06978	1.0
129.58983	0.9
131.08578	3.3
133.10162	4.0
135.08089	1.5
135.11687	3.4
137.09610	1.7
145.10088	1.8
147.11702	1.0
148.83542	0.7
149.02309	1.3
149.13272	9.8
150.58665	0.8
151.70149	0.9
153.01852	1.1
155.10674	3.8
159.11736	5.5
163.11147	2.6
173.11769	9.8
177.12793	2.8
195.13745	5.0
211.13219	1.0
227.12749	2.4
229.14369	36.4
248.06812	0.8
269.17496	36.5
274.45474	0.8
423.27441	100.0
424.27805	2.3
477.87445	0.9
621.32617	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	619.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79450	0.5
55.01870	1.0
55.05513	4.9
57.03440	2.0
57.07083	2.7
67.05509	8.5
69.07076	4.9
71.04981	1.0
71.08629	1.8
71.52107	1.1
74.09735	0.7
79.05498	3.9
81.03412	0.6
81.07058	7.6
83.04996	0.9
83.08625	3.9
85.10178	0.7
87.04480	2.1
91.05491	2.8
93.07053	4.6
95.04953	0.9
95.08614	5.6
97.06510	0.9
97.10185	1.9
98.98466	3.9
105.07054	2.5
107.04954	0.7
107.08621	3.9
109.06540	1.4
109.10164	4.5
111.08077	0.7
116.28912	0.5
117.07067	0.8
118.14354	0.5
119.08585	2.5
121.10149	2.3
123.08063	0.7
123.11710	1.0
125.55058	0.6
131.08644	0.8
133.10143	1.1
135.08011	1.3
135.11758	1.3
145.10156	0.5
147.11723	1.1
150.49002	0.5
155.01096	2.3
157.10124	0.7
165.12843	0.6
173.09642	0.6
173.11790	0.9
179.14227	0.6
183.00569	0.7
211.13297	5.7
227.12900	1.4
229.14375	0.9
233.11588	0.9
237.22197	0.8
254.34631	0.6
283.15207	15.7
289.18085	1.2
309.11053	0.6
311.25909	1.3
313.27515	1.2
321.27719	0.6
331.26398	1.5
337.27472	1.1
339.17883	4.8
365.13779	1.0
383.14441	0.8
421.89264	0.6
507.40878	1.1
521.38708	1.8
601.44843	0.7
619.41864	100.0
620.42627	2.9
623.00610	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	19.4
55.01854	7.7
55.05515	30.0
55.87763	1.6
57.03422	7.7
65.03916	6.3
67.05505	91.1
68.44971	1.5
69.03429	19.3
69.07071	20.5
71.01325	2.2
71.05006	9.1
77.03910	2.0
79.05494	93.7
81.02933	2.2
81.03420	82.8
81.07058	100.0
83.04987	20.2
83.08615	14.3
85.02914	9.2
85.06512	4.1
91.04903	3.1
91.05483	90.0
93.07045	90.9
95.04974	23.1
95.08609	43.3
97.02898	19.2
97.06542	10.1
97.10159	4.7
99.04449	6.6
99.08097	3.3
102.21289	2.1
103.05463	3.7
105.04476	5.2
105.07034	54.3
107.04952	10.6
107.08599	37.7
109.02862	11.4
109.06492	8.9
109.10179	8.2
111.04432	6.7
111.08040	6.6
115.05443	5.0
117.07022	23.1
119.07813	2.7
119.08590	30.9
121.06528	8.8
121.10154	15.8
123.08072	6.1
123.11659	5.2
127.03925	10.4
128.06198	4.3
129.07011	24.8
131.04916	2.3
131.08578	19.2
133.06477	5.2
133.10155	18.9
135.08037	3.5
135.11668	9.1
137.09639	2.1
138.59981	1.6
141.06975	3.7
143.08574	16.1
145.06454	6.4
145.10138	13.7
147.08025	5.4
147.11696	39.9
149.05974	2.3
149.09613	2.9
149.13252	14.1
153.01840	9.0
153.07190	1.7
155.08554	5.3
157.10139	4.8
159.08005	4.9
159.11690	13.6
161.09616	6.1
161.13287	11.7
165.06950	2.9
165.12746	4.0
169.10056	3.3
171.08057	2.6
171.11691	30.8
173.04390	4.1
173.09554	2.9
173.13206	1.7
175.11200	3.0
177.12723	6.6
181.10246	2.1
183.06387	2.3
183.11653	2.9
185.09573	2.0
185.13235	3.4
189.12720	13.3
195.11893	2.4
195.13785	9.0
199.05986	2.8
207.13809	27.4
233.15297	2.4
261.14645	2.1
267.15799	3.4
269.17477	5.6
271.16855	2.4
275.16452	2.5
279.15891	2.3
281.17520	11.2
287.16299	2.0
303.15842	2.1
321.16937	3.3
328.08994	2.3
339.18207	10.6
342.43573	2.3
351.18060	3.2
365.24847	2.7
383.25833	2.1
395.20767	11.0
407.20551	2.3
457.29367	6.3
475.30325	17.7
597.31537	1.8
601.33759	4.9
619.34662	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96299	0.8
56.96568	11.3
69.58408	2.6
71.95255	1.5
81.03407	0.5
84.96056	2.4
85.02930	1.0
87.34663	0.4
97.02896	0.7
98.21443	0.9
98.97588	100.0
101.00890	1.2
109.48866	0.4
110.91493	0.4
110.97582	2.3
112.99162	0.4
116.98624	36.9
119.01967	1.0
128.38011	0.3
128.98605	2.0
131.00227	0.6
131.02007	0.4
134.99664	7.2
140.00195	0.9
140.32184	0.4
140.98615	0.6
143.00148	1.4
143.01904	2.5
146.99646	0.8
147.04367	0.5
152.98633	1.0
153.00729	0.8
153.01834	4.9
153.02957	0.7
158.01306	0.5
158.99664	53.7
159.03314	1.2
160.88974	0.5
161.01263	1.7
161.02954	3.2
167.51155	0.4
168.95876	0.5
170.99681	1.0
177.00719	41.9
183.03354	0.7
185.01308	0.7
189.00778	0.7
194.99983	0.5
195.01764	2.3
200.02359	1.1
201.00732	1.3
201.04395	3.1
201.06149	1.4
203.02275	0.6
203.04041	0.9
210.99097	2.1
219.01779	28.4
225.04457	0.6
229.00175	5.4
237.02829	6.9
243.05313	3.5
247.01350	0.8
253.00287	0.9
255.03645	0.6
261.02795	0.9
271.01358	1.3
295.00870	0.5
297.02850	0.4
303.01791	0.7
303.07416	7.9
303.10281	0.6
319.04562	0.5
321.08493	8.2
337.02411	0.6
339.05490	1.3
350.61102	0.4
355.03366	3.7
357.06729	0.6
373.04416	7.6
415.05463	5.7
417.09344	0.6
457.10184	2.3
570.57361	0.5
619.15491	47.6
620.15662	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.5142
Annotation	Diacylglycerol(18:1/18:3)
Peak:m/z	Relative Intensity
53.03945	6.5
54.05852	1.7
55.05517	35.8
57.03446	9.9
57.07075	13.6
65.03947	4.9
65.82104	1.7
67.05511	82.0
67.34414	1.7
69.06693	1.7
69.07072	42.0
71.08633	7.8
79.05502	46.8
81.07063	100.0
81.99277	1.6
83.08626	32.1
85.06539	2.4
85.10213	2.8
87.04478	3.3
91.05493	22.9
93.07052	59.8
93.07644	3.2
94.07380	1.9
95.04974	3.8
95.08618	83.5
96.08924	2.4
97.06550	4.4
97.10189	15.6
98.20756	6.2
101.03738	1.7
105.07041	24.3
105.07722	2.9
107.08596	37.2
109.10165	39.6
111.08094	2.6
111.11708	3.4
117.07022	10.1
119.08596	20.8
121.10159	32.8
122.10502	2.7
123.11724	16.1
126.67207	1.8
129.06972	2.7
131.08563	14.8
133.10153	15.0
135.11697	24.9
137.13280	6.0
145.10115	14.3
147.11658	10.5
149.09691	2.8
149.13246	10.0
151.14859	4.6
157.10210	3.4
158.10684	2.2
159.11781	8.3
161.13274	9.5
163.14857	5.6
165.10617	1.8
173.13292	6.0
175.14859	3.2
177.16397	4.3
179.14336	2.5
180.23508	1.9
185.13335	2.1
187.14914	4.6
191.17944	2.3
201.16579	2.0
227.16388	2.5
233.22830	2.5
243.21169	5.1
247.20659	4.9
259.20746	3.0
261.22134	31.1
262.22467	2.0
265.25235	3.0
275.23758	3.5
277.21808	2.4
279.23392	2.8
317.24896	5.6
317.28592	2.2
325.27719	2.0
325.31644	1.9
335.25867	29.6
337.27557	3.3
339.28967	33.7
345.31790	2.1
353.30859	2.3
525.46692	6.2
543.47955	7.4
599.50360	30.0
617.51434	97.3
618.51355	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	618.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96963	0.4
51.02380	0.6
53.03948	0.8
55.01631	0.5
55.01876	6.7
55.05506	0.9
57.03440	1.1
57.07068	0.5
59.69340	0.4
67.05505	2.8
68.53939	0.4
69.03435	13.1
69.07082	2.1
69.15649	1.5
69.16077	2.8
70.06584	0.8
71.01358	3.3
71.47551	0.4
74.09704	0.4
79.01859	1.6
79.05493	5.5
81.03428	2.9
81.07060	40.9
83.04992	0.8
83.08614	0.8
85.02908	4.8
87.04473	1.2
91.05472	1.5
92.05807	0.4
93.07047	1.7
95.04980	1.5
95.08614	8.8
97.02898	18.1
97.03526	0.9
97.06517	0.4
98.20676	0.9
99.08125	0.4
100.99770	0.4
105.07040	1.4
107.01311	1.1
107.04930	0.5
107.08617	0.8
109.02872	3.3
109.06535	0.4
109.10155	1.5
115.03937	8.6
119.08573	0.7
121.10159	0.6
122.32472	0.4
123.08072	0.5
125.02339	2.6
127.03918	6.2
129.07008	0.5
130.34682	0.4
133.10193	0.4
135.00749	0.5
137.13264	5.9
143.03419	3.3
143.08501	0.4
145.10231	0.5
153.01836	100.0
154.02159	0.7
171.02907	7.4
183.02908	0.6
195.02921	1.1
197.13438	0.5
249.03903	0.7
267.04984	1.1
267.16214	0.4
283.15427	0.4
285.06061	72.6
286.06329	0.5
421.19043	0.4
459.27213	0.5
477.28235	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.6
55.05506	2.5
57.03428	1.1
57.07077	1.1
59.05009	0.7
67.05503	5.4
68.05082	0.5
69.07060	1.7
69.28560	5.4
71.04992	1.0
79.05489	3.3
81.03412	0.7
81.07066	5.0
83.08620	0.9
85.06528	0.7
91.05490	3.6
93.07056	4.4
94.07384	0.6
95.04982	1.0
95.08626	4.7
97.06499	0.7
97.10187	0.6
99.08061	0.6
105.07010	3.1
106.07375	0.6
107.08601	3.0
109.10170	1.1
117.07038	0.8
119.08599	3.2
120.08936	0.7
121.10167	2.5
123.08102	1.1
124.08360	0.6
125.09612	0.8
131.08572	1.5
133.10158	1.5
133.18758	0.5
135.07986	0.6
135.11671	0.8
143.08614	1.0
145.10124	1.3
147.04465	1.2
147.07973	0.7
147.11687	1.1
148.12120	0.7
149.13206	0.6
151.07561	0.9
157.10123	0.7
159.11693	0.9
163.07448	0.5
163.11247	0.8
165.09087	0.7
171.11673	0.6
172.20570	0.5
174.13516	0.6
175.11157	0.6
181.12225	0.7
193.12469	0.5
221.15405	1.9
222.15741	2.0
259.13336	1.3
283.15164	13.9
283.18140	1.0
335.69580	0.6
339.17780	6.0
424.70096	0.6
438.80063	0.7
585.42413	0.7
585.54840	0.6
617.40186	100.0
618.40405	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1139
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
51.02392	0.6
53.03944	0.8
54.40186	0.4
57.20415	0.5
62.94071	0.5
69.03433	2.8
69.71655	2.0
70.06580	0.6
75.91522	0.4
79.01854	4.6
81.03423	8.9
85.02918	2.6
96.09792	0.5
97.02892	4.6
99.04462	0.8
107.01319	1.9
109.02886	5.1
110.87395	0.4
111.00846	0.5
117.56205	0.4
125.02355	3.1
127.03919	5.5
137.02318	2.2
143.03401	4.8
145.04951	1.4
149.02370	0.5
153.01842	100.0
153.02875	5.1
154.02176	0.8
165.01836	1.2
171.02879	9.2
171.04268	0.8
173.06099	0.5
183.02864	0.6
201.05504	1.7
223.35033	0.6
229.04988	3.1
257.04532	1.9
285.04031	0.8
297.06070	9.8
297.09335	0.6
303.05017	60.2
304.05402	0.9
315.07285	2.8
327.64380	0.5
333.82593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.114
Annotation	Quercetin 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
68.99812	0.5
69.03431	8.0
69.23396	2.5
69.23822	2.6
79.01891	2.6
79.02248	0.4
81.03407	0.9
93.55762	0.5
97.02882	2.0
98.20770	0.8
105.40570	0.4
107.01311	0.6
109.02889	1.1
125.02353	2.6
127.03930	5.1
134.30273	0.5
137.02336	1.0
138.40916	0.5
143.03381	4.6
149.02361	0.7
153.01840	100.0
153.02849	4.2
159.04443	0.7
163.03925	1.2
171.02910	1.5
173.80350	0.5
179.03433	1.0
181.01318	1.0
187.03860	0.6
191.03374	1.9
200.37396	0.5
201.05397	0.6
205.04993	1.1
207.02940	1.4
229.04993	1.4
233.04517	1.8
237.04027	1.8
257.04431	0.9
261.03964	0.7
267.05142	0.7
279.05075	0.9
285.03970	0.5
297.06094	2.8
303.05005	22.6
304.05508	0.6
315.07248	4.3
327.05093	0.7
496.89807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.43795	0.3
57.03428	0.3
65.38052	0.3
66.08395	0.3
67.05474	0.7
68.99782	0.6
69.03429	1.9
69.07071	17.1
70.06602	2.1
70.59532	0.6
70.59904	0.7
71.04992	0.3
75.18057	0.3
79.05482	0.7
81.03433	3.6
81.07037	0.4
84.04568	0.4
84.08143	0.4
85.02907	2.7
86.06038	0.4
91.05468	0.6
93.07028	0.3
95.04962	1.2
97.02885	1.7
97.06540	1.8
98.20816	0.4
105.03376	0.4
105.07052	0.4
106.72072	0.3
107.04935	0.7
109.02892	2.1
111.00807	0.8
112.07610	2.7
121.02856	2.8
121.10073	0.3
123.04434	1.1
127.03916	1.3
133.02840	0.4
137.02403	0.7
140.07069	19.3
141.05420	0.4
142.08591	0.5
147.04445	0.7
147.07922	0.3
151.03966	0.4
153.01831	5.6
165.01869	1.8
168.06569	26.9
171.04263	0.3
183.02913	0.9
185.05984	0.6
186.07607	0.9
208.08871	0.3
213.05476	1.5
229.04941	0.4
231.06566	0.8
241.05057	1.0
258.05252	1.1
259.05984	0.6
287.05508	100.0
288.05792	1.2
299.05499	0.9
301.07019	0.6
303.04919	0.3
311.05417	0.8
312.10809	4.2
325.07117	0.7
329.06561	2.9
330.11548	0.5
353.06613	0.9
377.06903	0.4
395.07697	1.2
431.09564	0.5
453.03024	0.4
510.99301	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29729	0.8
58.54542	0.8
59.95119	0.7
61.57709	0.7
65.56200	0.7
68.35585	0.7
68.85390	0.7
70.19084	3.4
83.38655	0.8
94.81472	0.7
96.78648	0.9
98.97635	0.9
112.89614	100.0
114.89329	0.9
122.01387	1.9
128.01408	2.3
131.01904	2.9
137.01888	5.8
143.01901	3.5
149.01942	1.8
149.18884	0.8
152.02429	1.3
155.01859	1.4
158.02449	1.0
164.02571	1.2
164.52419	0.9
173.02940	3.5
179.02791	1.9
185.02960	1.4
188.03447	1.1
194.03525	2.9
203.04004	6.0
203.54202	1.6
209.04079	1.1
215.04156	1.4
218.09259	0.9
224.04596	5.5
224.54692	0.8
233.05052	2.2
245.05070	4.1
254.05730	1.8
275.06091	2.9
284.06662	3.2
284.56650	1.8
301.24213	1.0
305.07169	9.2
305.57370	1.9
334.96304	1.6
335.00006	2.9
335.08002	1.3
365.09418	1.9
543.13214	28.5
617.16357	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	12.2
56.71683	4.3
57.03438	12.7
57.07087	33.6
58.47581	4.8
67.05514	19.8
69.07064	20.2
71.08633	21.5
71.12379	8.8
76.04014	3.8
79.05495	19.5
81.03422	71.2
81.07059	33.2
83.08642	28.5
84.85560	5.1
85.10180	17.6
89.06015	8.2
91.05476	22.6
93.07045	12.3
95.04994	21.0
95.08621	27.1
96.08937	4.7
97.06522	6.3
97.10148	10.1
100.48864	3.6
104.51272	5.2
105.07050	14.7
107.04955	6.1
107.08608	8.6
109.06481	6.3
109.10171	10.1
111.08092	4.6
119.05187	3.8
119.08582	15.4
121.06547	6.4
121.10160	9.4
122.34211	3.8
123.11696	7.5
129.06976	6.3
131.08536	8.1
133.10130	6.5
135.11703	4.2
147.11697	6.0
157.10139	6.9
175.11244	8.3
193.12241	30.4
226.44775	4.0
267.15939	100.0
313.27438	62.7
326.86322	4.5
339.28925	22.7
505.39023	51.6
531.40320	17.9
614.67157	4.3
616.49536	4.9
617.32855	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	616.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97073	0.3
53.03944	0.8
67.05506	0.7
68.99765	0.4
69.03424	1.1
69.07069	25.3
70.06253	0.3
70.06590	2.7
71.10310	0.7
78.65804	0.3
81.03423	5.1
83.47780	0.4
83.70811	0.4
85.02892	1.5
87.93304	0.3
88.45926	0.3
91.05458	0.5
91.65639	0.3
93.04191	0.4
95.04967	1.7
97.02886	2.8
97.06546	2.1
99.04456	0.9
107.04944	0.4
109.02875	7.8
111.00797	1.0
112.07621	3.6
118.86134	0.3
121.02878	3.1
123.00977	0.4
123.04423	1.5
127.03914	1.8
133.02870	0.6
137.02327	0.7
137.06038	0.4
140.07069	29.4
141.05450	0.7
145.05006	0.4
147.04466	0.5
151.03938	0.5
153.01834	5.2
157.06509	0.4
165.01854	1.8
168.06564	45.2
171.04510	0.6
171.18488	0.4
183.02882	0.8
186.07602	1.7
213.05486	1.3
231.06490	0.4
240.08661	0.7
241.04817	0.9
258.05292	1.1
287.05505	100.0
288.05737	0.9
294.09698	1.4
299.05496	0.7
311.05545	0.6
312.10767	1.5
329.06522	2.8
395.07468	1.0
431.09717	0.5
528.58490	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	615.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.01849	1.7
55.05514	26.6
57.03432	5.1
57.07072	7.3
65.03931	2.5
67.05512	72.5
69.07075	29.4
71.08630	7.1
79.05500	34.0
81.07063	72.5
83.04980	1.7
83.08631	14.5
85.10170	1.6
85.18823	1.6
89.06024	4.8
91.05483	25.5
93.07053	43.7
94.57804	1.7
95.04956	3.4
95.08620	54.4
97.06542	4.7
97.10175	11.3
99.08092	4.0
103.78365	1.5
105.06385	2.9
105.07042	31.4
107.08599	28.5
109.06498	2.3
109.10172	27.4
111.08076	3.3
111.11754	2.7
117.07025	6.1
119.08595	28.8
120.08982	1.4
121.10165	21.5
123.11702	12.3
125.09680	2.1
129.06996	2.2
131.08601	15.4
133.08620	3.1
133.10149	19.4
135.11711	16.2
137.13295	5.3
143.08603	6.1
145.10150	12.0
147.11722	15.7
149.13263	10.9
151.11284	2.2
151.14841	2.7
153.12747	1.7
157.10144	4.1
159.11732	10.7
161.13278	7.9
163.11140	2.4
163.14832	5.5
165.12825	1.9
165.16322	1.9
169.10193	2.7
171.11722	5.0
173.13304	7.1
175.14851	5.7
177.16434	3.1
179.14381	1.7
185.13266	4.2
187.14908	5.7
197.13329	2.0
199.14909	2.2
201.16394	2.8
211.14850	2.4
215.51749	1.5
219.17564	1.5
225.16002	1.6
227.17975	1.7
243.21173	2.7
259.20612	3.5
261.22208	10.8
263.23694	2.3
277.21869	2.2
279.23166	2.7
287.23676	1.9
301.25253	1.8
317.24759	2.6
335.25925	9.2
337.27524	11.5
339.29050	3.2
357.31207	2.4
523.45197	4.4
541.46381	2.6
597.49237	12.5
615.49878	100.0
616.50854	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	615.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42850	1.4
53.03947	4.7
55.05514	22.6
57.03435	6.0
57.07070	6.1
65.03930	3.0
67.05509	55.1
69.07068	26.4
69.07421	2.1
71.05009	2.2
71.08643	3.5
79.05502	29.6
81.07059	65.0
83.04985	2.3
83.08623	14.3
85.10194	1.5
89.06049	5.0
91.05492	24.1
93.07054	39.0
93.07645	2.4
95.04992	2.8
95.08614	51.7
97.06550	3.6
97.10162	7.8
99.08100	2.3
105.07031	26.3
105.07672	1.6
107.08586	22.9
109.10152	21.4
111.08086	2.0
111.11707	1.8
113.09634	1.6
117.07027	6.1
119.08591	22.4
121.10147	20.7
123.08125	2.2
123.11745	8.2
123.61350	1.4
129.07047	2.7
131.08588	16.9
133.08675	1.7
133.10139	18.2
135.11697	13.1
137.13307	4.5
143.08589	5.0
145.10110	13.3
147.11694	11.6
149.13277	9.6
151.14946	1.5
157.10168	6.7
159.11742	9.3
159.43239	1.4
161.13275	8.4
163.14839	4.8
171.11745	5.1
173.13287	8.0
175.14867	4.7
177.16423	3.2
183.11711	2.0
185.13373	2.9
187.14859	5.7
189.16452	1.8
191.17953	1.9
197.13344	2.2
201.16359	2.4
203.18022	2.9
215.18019	1.4
227.16331	1.8
241.19643	2.4
243.21231	1.4
245.22710	1.7
247.20784	1.6
257.22852	1.3
259.20706	4.4
261.22211	9.1
263.23788	1.6
271.20721	1.5
273.22314	2.1
277.21909	1.6
301.25357	2.2
317.25046	1.6
317.28506	1.7
323.25766	2.0
333.24435	3.8
335.25833	7.6
337.27383	13.8
339.29175	5.0
343.30048	1.4
357.31851	1.5
395.13049	1.4
491.37302	1.6
503.36792	1.6
517.38861	2.0
523.45325	5.2
531.40625	1.7
541.45966	4.3
545.42200	1.4
551.69733	1.3
578.10736	1.7
597.48718	13.1
615.49890	100.0
616.50214	2.3
624.89227	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	615.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.9
55.01859	3.9
55.05518	22.8
57.07079	19.3
59.05001	16.0
65.03948	5.9
67.05510	36.1
69.03410	6.7
69.07076	18.0
69.16824	25.8
69.17233	4.3
71.05003	4.1
73.06574	7.3
79.05501	32.6
80.31541	3.2
81.03410	3.6
81.07057	45.3
83.04974	10.5
83.08614	7.1
85.06557	28.1
89.05992	3.7
91.05484	56.7
93.07052	75.5
95.01311	4.2
95.04971	11.4
95.08619	57.4
97.06530	11.5
97.34890	2.7
99.08115	4.5
103.05503	5.4
105.07043	69.4
107.04930	3.5
107.08605	47.8
109.06544	16.4
109.10187	27.5
111.08098	12.1
115.05460	4.2
116.06218	4.0
117.07072	15.3
119.08593	80.9
120.25692	2.7
121.06519	8.0
121.10143	41.1
122.10404	3.2
123.08072	41.4
123.11714	7.5
125.05997	13.0
125.09607	15.8
128.06213	7.3
129.07013	8.1
130.07805	4.5
131.08585	41.9
133.06482	5.1
133.08569	4.2
133.10138	52.9
135.08057	17.3
135.11719	24.1
137.09639	16.6
139.11177	4.5
141.07002	7.4
142.07806	11.9
143.08574	26.9
144.09335	7.0
145.10112	42.9
147.04443	5.9
147.08072	21.4
147.11673	19.3
149.09634	9.9
149.13214	3.0
151.07553	39.0
151.11208	12.2
155.08554	12.5
156.09355	11.2
157.10129	32.3
158.10947	4.7
159.08015	3.9
159.11696	27.6
161.09628	9.1
161.13278	11.6
163.11206	22.1
165.09142	38.0
165.12921	3.8
167.08562	4.6
168.09418	3.3
169.10136	13.3
170.10944	5.1
171.11726	16.5
173.09624	6.8
173.13252	20.2
175.11198	6.9
175.14862	16.5
179.08559	6.2
179.10641	5.4
179.14363	6.6
181.04684	3.1
181.10155	8.6
181.12234	25.0
182.10933	7.3
183.11708	15.4
183.13785	5.6
185.13248	11.0
187.11095	3.8
187.14853	6.0
189.12741	17.0
193.10129	9.5
193.12276	3.3
194.10907	4.4
195.11624	13.6
197.13261	16.4
199.11201	4.1
199.14871	8.9
201.12772	8.6
201.16418	5.0
203.14305	20.4
206.10947	3.7
207.11855	6.3
207.13795	18.7
209.13274	12.1
211.11290	3.7
211.13248	9.1
211.14960	4.5
213.12823	6.1
217.15973	3.2
221.13254	9.2
221.15349	100.0
223.14890	5.5
223.16928	9.6
225.16499	4.4
227.14507	3.9
231.17599	3.4
233.15494	4.2
234.13751	3.0
235.14819	10.6
237.16393	4.1
239.14363	3.2
241.19489	5.2
243.13635	3.8
249.16469	3.3
251.16495	9.8
259.13324	4.8
259.20563	3.8
263.17883	4.9
283.20663	7.4
286.19302	5.3
287.20114	3.9
299.20038	5.8
375.26758	5.3
491.35257	11.1
522.39136	3.5
565.39941	4.8
583.41449	25.2
597.42487	11.5
615.43884	97.7
616.67474	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	614.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	4.3
54.83250	3.6
55.05523	21.5
57.03445	16.5
57.07076	5.8
65.03943	3.1
67.05513	61.5
69.03411	4.2
69.07082	22.1
70.97813	6.2
79.05496	30.8
81.03423	66.1
81.07058	57.3
81.36812	3.6
83.04968	7.3
83.08621	24.7
85.06548	5.0
89.06010	7.5
91.05486	35.0
93.07043	26.3
95.04964	31.4
95.08615	43.8
97.06497	4.7
97.10147	7.5
105.07015	24.9
106.24186	3.0
107.04952	6.7
107.08615	18.8
107.44843	3.0
109.06516	6.5
109.10162	17.2
111.08080	11.0
118.55824	3.1
119.08602	25.8
121.06459	5.0
121.10128	20.5
123.08035	4.1
123.11731	5.7
125.05958	3.9
128.06235	3.5
129.07034	10.5
131.08568	15.9
133.06499	5.3
133.08591	6.2
133.10117	18.3
135.08064	7.9
135.11678	6.5
142.07777	4.5
143.08562	7.2
145.10132	15.0
147.08086	5.7
147.11684	11.0
149.09564	3.8
157.10117	15.8
161.13364	3.6
169.10103	4.5
171.11729	3.4
175.11200	10.7
177.11270	4.3
180.09280	3.3
181.10205	5.2
181.12256	5.8
183.11726	4.1
185.09554	4.3
193.12196	21.6
195.11734	6.5
199.11212	3.9
205.10106	3.9
209.25941	3.4
211.13252	4.2
263.23676	5.6
267.15927	100.0
331.19147	5.8
337.27417	84.7
352.24060	12.9
384.22763	6.7
455.35098	6.6
476.29373	7.3
529.31561	5.4
529.38940	67.8
547.39996	18.8
582.27234	6.2
614.30194	8.4
614.39886	12.6
622.89850	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	615.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01871	4.2
55.05521	21.4
57.07077	22.9
59.04996	24.5
61.59457	2.2
65.03935	5.4
67.05186	3.2
67.05505	42.3
69.03411	8.3
69.07076	23.7
71.04974	4.6
71.08633	3.8
73.06563	6.7
76.57198	2.4
77.69614	2.7
79.05503	33.9
81.03416	3.6
81.07059	47.4
83.04977	15.4
83.05978	2.3
83.08604	7.1
85.06550	34.3
89.06018	8.0
91.05487	51.8
93.06484	4.4
93.07050	66.5
95.04966	14.7
95.08060	4.4
95.08612	50.7
97.06524	9.2
97.10130	3.9
99.08091	3.1
103.05483	3.9
105.07041	72.4
107.05016	2.6
107.08598	57.5
109.06535	15.3
109.10155	26.5
111.08068	9.8
115.05473	4.2
117.07049	18.4
119.08591	86.8
120.35737	2.6
121.06500	10.4
121.10149	33.3
123.08071	37.3
123.11690	7.0
125.06006	19.5
125.09623	14.7
128.06223	6.1
129.06985	14.7
130.07820	4.8
131.08569	42.1
133.06496	7.0
133.08597	4.7
133.10126	54.4
135.08075	15.7
135.11717	22.1
137.09633	17.2
141.06989	5.7
142.07805	12.8
143.08571	26.2
144.09328	7.8
145.06551	2.8
145.10130	53.8
147.08044	23.7
147.11717	24.5
149.09605	12.0
151.07526	30.5
151.11166	12.8
153.06924	3.0
153.12627	2.9
155.08540	12.6
156.09340	11.8
157.10143	30.2
158.10780	3.7
159.08025	3.2
159.11694	32.7
160.12170	2.7
161.09666	13.1
161.13252	11.7
163.11171	30.3
165.09117	46.4
167.08565	7.0
168.09392	5.7
169.10078	13.8
170.10869	4.9
171.11650	15.8
172.12222	2.8
173.09625	4.4
173.13292	22.3
175.11127	11.5
175.14857	15.0
177.09026	3.4
177.12715	3.0
179.08604	6.8
179.10754	3.1
179.14333	5.8
181.10139	6.1
181.12230	34.9
182.10921	4.8
183.11694	15.1
183.13837	3.6
185.13242	10.9
187.11218	5.3
187.14873	8.1
189.12778	13.7
191.14307	6.9
192.09393	3.4
193.10263	4.9
193.12178	5.6
194.10927	4.5
195.11719	9.0
195.13637	3.3
196.12329	3.5
197.13257	12.6
199.14816	7.6
201.12834	3.3
201.16443	5.0
203.14299	22.9
205.15964	2.8
207.11742	6.8
207.13815	16.0
208.12445	3.3
209.13239	11.2
209.15157	3.0
211.11267	3.4
211.13277	8.9
211.14995	5.1
213.12805	3.8
213.16467	3.9
215.14349	2.8
217.15810	3.4
219.17485	3.3
221.13290	9.3
221.15369	100.0
223.14908	5.7
223.16934	8.6
225.16415	3.9
227.14516	4.1
228.68684	2.4
231.17270	3.1
235.14853	5.5
239.14363	3.1
241.19571	3.8
245.13515	2.9
247.14693	4.2
251.16362	7.1
257.18994	5.7
259.20709	6.4
261.18430	3.2
271.17056	2.9
275.20129	7.2
281.18842	3.3
286.19324	8.3
287.20102	7.7
289.19522	4.2
299.20087	8.7
308.29449	3.1
323.20096	3.1
331.22763	3.1
390.25256	5.2
491.34882	4.4
535.37976	3.8
583.41229	18.9
597.42969	9.9
615.43848	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	614.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62607	1.6
53.03948	2.4
55.05507	8.3
57.03433	2.8
57.07078	4.9
67.05504	22.2
67.18478	1.8
69.07069	8.7
71.04994	3.9
71.08643	2.5
71.51357	3.0
78.55569	2.0
79.05505	15.6
81.07065	24.7
83.08627	4.5
85.06567	3.4
85.10202	2.3
87.04458	6.2
89.06040	100.0
91.05479	10.4
93.07051	16.7
95.04977	5.3
95.08611	11.4
97.06519	3.3
97.10166	3.1
105.07038	8.2
107.08578	11.1
109.06509	2.4
109.10162	7.3
111.08086	2.2
117.07001	2.9
119.08599	8.3
121.10162	9.3
123.11747	3.1
131.07085	2.7
131.08583	6.1
133.08624	62.1
133.10168	7.4
135.11716	5.9
137.05989	2.5
143.08549	2.9
145.10130	5.0
147.11705	3.3
149.13217	2.0
151.11205	1.9
157.10072	2.9
159.11700	4.7
171.11607	2.1
177.11267	25.8
185.21997	2.8
199.14763	1.9
221.13652	4.6
221.15573	2.3
229.14389	2.2
261.22141	2.6
283.17471	2.8
301.20297	2.6
313.28824	2.0
335.25845	7.5
415.25406	17.8
437.33646	2.4
441.41525	2.2
458.49631	2.2
503.37521	9.3
529.39020	14.6
561.41016	4.0
600.28448	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	614.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00573	3.3
53.03935	9.8
54.92784	3.3
55.01865	9.2
55.05516	40.9
55.73495	3.3
57.03428	15.4
57.07064	7.9
63.09517	3.2
65.03929	5.7
67.05507	83.6
68.05841	3.1
69.03426	5.9
69.07072	25.0
70.06583	14.1
71.04978	10.0
71.08636	21.0
72.08089	3.9
72.74596	3.3
75.02877	4.3
76.00594	3.7
78.39601	3.3
79.05073	5.2
79.05500	70.2
81.03422	61.8
81.07059	100.0
83.04990	22.5
83.08620	33.3
85.02885	19.9
85.06550	6.9
86.09695	4.6
88.07623	6.3
91.05485	78.5
93.06487	4.8
93.07047	72.4
95.04977	34.9
95.08600	43.1
97.06521	14.9
97.10152	5.5
99.08096	19.2
99.39183	3.3
105.03398	16.7
105.07027	46.0
107.04942	13.6
107.08572	27.4
109.06511	8.8
109.10136	11.5
111.04488	4.8
111.08098	13.9
113.06004	3.5
117.07020	13.7
118.86835	3.4
119.08588	33.9
120.08911	4.1
121.06551	6.2
121.10142	23.8
123.08044	8.0
123.11723	4.0
125.09601	6.6
128.06201	3.4
129.07007	11.8
131.08572	24.8
132.10188	6.2
133.06461	3.5
133.10127	35.5
135.11699	9.2
142.07802	4.7
143.08557	6.7
145.10127	10.1
146.11777	5.8
147.08025	4.0
147.11700	16.9
149.02361	16.4
149.05988	73.6
149.09625	4.8
149.13287	15.0
151.11194	25.6
157.10197	18.0
159.11691	7.9
161.13338	5.2
163.11172	15.6
171.11749	4.4
175.11159	11.5
175.14870	4.2
177.12737	6.8
179.14243	5.1
193.04965	11.8
193.10648	4.9
193.12283	46.2
195.13820	9.1
211.13301	53.4
227.12741	8.5
248.49300	4.0
256.26389	3.5
259.20496	8.0
267.15933	21.1
269.17496	21.1
275.20148	3.7
277.21606	15.1
285.16937	46.2
297.07535	11.6
300.29022	24.4
341.06360	5.5
341.10178	58.1
351.25363	19.1
461.28918	20.7
479.30069	75.4
543.36639	7.5
552.33484	4.1
561.37671	12.1
614.36810	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	614.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.2
55.01863	5.1
55.05514	32.5
57.03441	20.5
57.07059	9.9
67.05508	64.8
69.03413	4.7
69.07072	23.2
70.06590	22.3
71.04974	9.6
71.08621	10.0
79.05503	55.9
81.03423	56.1
81.07064	65.4
83.04991	23.2
83.08625	32.4
85.02908	20.7
85.06525	4.9
86.09652	3.3
88.07638	21.6
91.05484	61.7
93.07054	60.2
95.04982	28.8
95.08615	31.2
97.06549	10.2
97.10146	5.3
99.08090	7.1
102.09157	11.7
105.03383	6.8
105.07039	43.0
107.04943	11.6
107.08603	30.3
109.06529	6.0
109.10172	11.6
110.12593	3.4
111.04392	4.5
111.08073	12.5
117.00617	3.5
117.07011	12.4
119.08598	26.2
121.06510	6.1
121.10155	19.5
122.10483	3.9
123.08070	5.7
123.11672	5.4
129.06993	13.9
131.08548	24.3
133.06517	5.1
133.10162	27.3
135.11690	8.3
137.09618	6.3
139.11182	3.4
142.07732	5.5
143.08556	4.0
145.10136	14.3
147.11708	20.8
149.02370	7.8
149.06003	35.0
149.09607	7.8
149.13229	13.3
151.11182	12.6
157.10143	14.2
159.11708	10.9
161.13237	6.8
163.04008	4.7
163.11230	8.7
165.12822	4.5
171.11714	5.4
175.11169	12.1
193.05037	5.0
193.12239	41.8
195.13808	10.4
199.15007	3.6
211.13312	49.2
221.15392	5.9
227.12820	4.1
256.26398	28.5
259.20596	3.9
267.15808	17.9
269.17441	27.5
277.21606	10.4
285.16959	40.6
297.07733	4.6
300.29056	6.4
301.07172	20.1
341.10303	17.9
351.25262	16.0
384.62735	3.2
461.28955	18.1
479.29959	57.2
543.36340	3.9
561.37677	9.1
566.90796	4.1
596.35986	3.9
613.06879	4.4
614.36951	100.0
615.38947	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	613.4828
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02374	1.4
53.03941	4.7
55.05513	21.7
57.03435	6.3
57.07072	4.2
62.66780	1.1
65.03936	4.6
67.05506	61.6
69.07070	21.0
70.63634	1.9
71.05003	1.5
71.08624	3.5
77.11275	1.0
77.59600	1.1
79.05496	33.8
81.07061	69.4
83.04976	1.1
83.08626	11.8
85.06559	1.7
88.56590	1.0
91.05488	26.2
93.07043	39.6
95.04977	3.4
95.08609	52.9
97.06538	2.7
97.10184	6.0
99.08101	3.2
105.04519	1.4
105.07035	27.7
107.08598	28.0
109.06580	1.4
109.10165	25.5
111.08104	2.3
111.11703	1.2
117.07014	12.8
119.08586	26.9
121.10149	24.5
123.08107	1.2
123.11736	11.4
129.07033	5.0
131.08577	20.6
133.10147	23.6
135.11700	16.9
137.13258	4.0
143.08577	6.3
145.10138	19.5
147.11705	17.5
149.09694	1.3
149.13254	9.4
151.14865	1.3
155.08516	2.5
157.10127	8.0
159.11688	15.3
161.13307	12.0
163.14842	4.7
169.10114	1.8
171.11740	7.1
173.13280	12.8
175.14851	6.3
177.16454	1.9
179.14302	3.2
183.11707	2.0
185.13274	6.6
187.14868	6.6
189.16441	2.1
192.93312	1.2
195.11723	1.3
199.14848	4.0
201.16457	4.7
203.18031	2.1
211.14877	2.7
213.16475	1.5
215.17914	1.9
217.16180	1.2
217.19624	2.0
229.19568	1.8
231.17433	2.3
233.18866	1.2
241.19629	4.2
243.21188	3.0
259.20621	6.9
261.22049	8.4
262.99991	1.3
263.23862	1.4
273.22226	1.8
277.21738	3.4
279.23395	1.2
287.23831	1.8
299.23792	2.0
313.25433	2.0
315.23227	1.9
315.26761	1.8
317.25122	1.9
333.24280	5.2
335.25842	14.1
337.27301	7.7
355.30203	1.3
363.29013	2.0
470.27155	1.4
489.35974	1.4
491.37567	1.8
503.37051	2.3
521.43823	6.3
531.40674	1.3
539.44775	3.9
543.40234	1.7
595.47467	11.2
613.48279	100.0
614.48517	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	613.4826
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03937	4.3
55.01863	1.9
55.05513	20.7
57.03446	6.9
57.07064	4.4
64.91483	1.1
65.03937	3.1
67.05508	65.5
68.78545	1.2
69.07078	18.3
69.81750	6.3
71.04991	2.0
71.08643	1.6
76.99479	1.3
79.05495	33.9
81.07062	64.6
83.08613	12.2
85.06533	2.8
91.05482	28.7
93.07047	41.7
95.04959	3.7
95.08609	55.0
97.06520	2.7
97.10181	4.1
98.20815	1.7
99.08051	1.2
105.07031	29.4
105.07696	2.3
107.07413	1.4
107.08606	24.3
109.10153	27.2
111.08111	1.8
117.07017	11.4
119.08585	29.2
120.08083	1.3
121.10148	24.7
123.11728	8.2
125.09657	2.3
129.07001	5.1
130.07726	1.6
131.08566	20.9
133.10133	24.4
135.11708	18.7
137.13280	3.5
143.08566	6.5
145.10138	21.8
147.11685	18.7
148.72661	1.6
149.13260	11.6
151.14827	2.1
155.08586	3.2
157.10094	6.6
159.11708	18.1
161.13277	12.3
163.11276	1.6
163.14882	6.1
168.08632	1.2
169.10172	1.6
171.11690	8.2
173.13286	12.2
175.14847	5.7
177.16405	2.8
183.11757	3.4
185.13312	4.1
187.14818	7.2
189.16414	3.4
197.13255	3.6
199.14857	4.3
201.16460	3.7
203.17886	1.7
211.14851	2.1
213.16609	2.7
217.19550	2.2
227.18115	1.6
229.19579	1.9
231.21080	2.2
241.19579	3.7
243.21240	3.0
259.20526	9.2
261.22086	13.5
263.23645	1.6
297.24756	1.4
299.23816	2.3
313.25385	1.7
315.26788	1.9
333.24115	6.1
335.25769	17.6
337.27380	10.2
349.27237	1.5
355.29947	1.7
369.27811	1.7
444.27063	1.6
503.36966	1.7
517.38586	1.7
520.39954	1.5
521.43872	4.7
529.39014	2.6
539.44379	4.6
543.40216	1.4
595.47437	13.2
613.48279	100.0
614.48450	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	613.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.3
57.03442	1.3
57.07077	1.7
67.05511	13.4
68.05874	1.8
69.07067	3.6
71.05004	1.6
71.08642	1.5
71.50789	1.1
71.51237	1.8
79.05499	8.1
81.03419	2.4
81.07062	11.8
83.05003	1.7
83.08657	1.6
91.05487	9.9
93.07063	12.6
95.04974	2.4
95.08617	7.1
96.08960	1.5
97.02929	1.2
97.06509	2.2
101.32755	1.5
103.45354	1.3
105.07063	6.7
105.45525	1.4
107.04989	2.0
107.08620	5.7
108.08932	1.7
109.06536	1.5
109.10179	4.5
115.05516	1.4
117.07021	1.7
119.08580	4.6
121.10162	5.1
123.08061	1.8
129.07022	1.4
131.08606	3.8
133.10147	3.8
135.11707	3.3
143.08592	1.7
145.10143	3.7
147.04425	4.7
147.08080	2.4
147.11732	2.4
157.10188	1.9
161.13365	1.4
167.08691	1.3
169.10130	1.6
173.09682	1.6
181.10277	1.3
181.12173	1.4
199.74899	1.2
209.10670	1.4
209.13412	1.3
221.15491	1.9
225.14027	1.9
227.12743	2.4
237.14000	2.4
259.13419	3.6
260.13651	1.6
277.21280	1.5
288.11813	1.3
290.48193	1.5
337.26401	1.6
339.15820	1.4
352.83148	1.4
379.19473	3.1
393.20810	3.7
406.17905	1.8
407.22952	3.3
408.19519	1.9
409.20743	2.9
419.18134	1.9
421.20096	6.3
424.18948	2.8
425.19904	4.2
433.20251	3.2
435.22058	4.8
436.22772	3.3
437.24219	6.1
439.21317	13.9
449.23575	4.4
450.18149	2.2
450.24136	2.3
453.23071	4.0
455.24551	1.6
463.20370	2.0
463.25250	4.0
465.23044	2.6
469.22507	2.4
474.24176	2.1
475.21512	4.7
476.22028	1.4
477.23129	3.3
484.24823	1.4
491.24332	3.9
503.21021	1.8
508.25076	1.8
509.25653	2.8
511.23563	2.4
512.24432	3.1
523.27252	25.3
524.27734	3.2
526.26178	8.8
537.25214	2.6
541.28162	88.4
542.28571	2.5
551.26453	11.6
552.25543	3.6
567.26312	3.6
569.27545	19.8
577.24725	1.6
595.25165	3.5
613.26660	100.0
613.42004	4.6
614.26917	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	613.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
54.38949	1.1
55.05507	4.6
57.07062	4.4
67.05511	10.2
69.07069	3.6
71.08627	2.4
71.64348	1.1
77.03929	1.2
79.05501	4.3
81.03429	1.5
81.07072	8.1
82.07378	1.2
83.08632	2.5
85.10149	1.3
87.45568	1.1
91.05476	5.9
93.07065	6.2
95.04978	4.3
95.08593	6.3
97.06529	1.1
105.07057	4.5
107.04978	1.7
107.08588	4.3
109.02872	2.3
109.10146	2.8
117.06993	2.6
119.08573	3.8
121.10172	2.5
129.07031	2.0
131.04916	1.6
131.08597	3.2
133.06616	1.3
133.10158	2.3
135.11705	2.4
141.07024	2.2
143.08545	2.0
145.10135	2.8
153.44583	1.1
154.52654	1.2
157.10155	1.7
159.11635	1.7
161.05933	1.2
163.11214	1.7
169.10167	1.4
171.11674	1.2
172.06165	1.3
172.11256	1.2
173.05974	1.2
177.12802	1.1
183.11858	2.0
185.13292	1.2
187.07590	1.7
189.05492	1.9
209.10760	1.4
224.13237	1.0
225.13867	1.7
237.13930	2.8
273.14948	2.4
283.13510	2.3
301.14355	8.8
313.27438	1.4
338.16608	1.4
339.15976	2.9
353.17990	1.7
357.17001	1.8
357.28619	1.2
365.18045	1.3
367.15387	1.6
367.19440	1.4
377.17752	2.4
378.18570	2.7
379.19312	2.2
386.85471	1.1
393.21088	2.0
407.18100	2.4
407.22894	1.7
409.20697	2.5
410.21252	1.6
411.22351	2.5
420.19849	1.5
421.20334	7.4
422.21344	2.8
423.21942	3.5
424.18967	3.1
425.19754	2.4
426.21387	1.2
433.20203	2.1
434.21002	2.4
435.22238	5.3
436.22849	2.5
437.24161	7.4
439.21347	14.2
441.23285	1.6
447.22122	1.7
449.23471	3.7
450.18094	2.3
450.24405	4.7
451.21262	2.0
452.22290	3.1
453.23117	4.3
455.24472	2.3
463.20538	2.2
465.23227	2.1
466.23767	1.5
475.21487	5.1
477.22781	2.3
481.25571	1.6
483.24176	1.9
484.24454	1.6
491.24622	4.9
494.23285	1.6
497.25317	1.6
501.22964	1.3
508.24680	1.9
509.25427	3.2
510.26746	1.3
511.23364	2.2
512.24359	3.5
523.27136	27.6
524.27478	1.9
525.24915	1.5
526.26031	6.6
533.25452	1.8
536.24310	1.5
537.24628	1.4
541.28168	83.3
542.28699	3.0
549.25763	1.3
551.26569	17.0
552.24823	3.6
567.25793	10.7
569.27625	20.1
570.25031	1.4
571.25574	11.9
577.24371	4.2
595.25641	10.8
612.46228	2.2
613.26630	100.0
613.40118	11.6
614.27014	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	612.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.4
53.50302	4.7
55.01873	6.2
55.05515	27.4
55.44352	4.5
57.03432	18.5
57.07079	11.5
67.05173	8.3
67.05505	88.0
68.05847	11.1
69.07063	22.2
70.46220	14.7
71.05000	5.6
71.08637	11.2
79.05500	74.2
81.02937	5.1
81.03421	89.1
81.07059	100.0
82.07410	7.7
83.04961	6.7
83.08608	25.2
85.42862	5.2
91.05476	54.3
93.07049	70.5
94.07381	5.9
95.04987	25.8
95.08619	51.1
95.68335	5.1
97.06512	8.1
97.10167	6.4
99.08098	5.9
102.99148	4.4
103.75163	4.4
105.07030	36.8
107.04971	8.7
107.08604	39.8
109.06529	5.6
109.10156	21.7
111.08110	8.4
117.07037	15.0
119.08611	33.5
119.09328	6.5
121.06506	4.8
121.10166	33.0
123.11693	8.3
129.07050	9.6
131.08557	22.1
133.06467	5.7
133.10136	19.4
135.11708	21.2
143.08540	6.9
145.10149	14.1
147.11681	16.7
149.09645	8.0
149.13228	11.0
157.10097	12.7
159.11732	12.2
161.13284	8.8
163.14815	5.6
169.95084	4.9
173.13266	6.5
175.11151	7.0
179.14310	12.5
180.14615	6.8
193.12291	19.0
200.31783	4.3
249.14928	6.2
261.22083	17.2
267.15894	92.2
277.21689	13.5
278.21924	11.4
317.24783	5.4
335.25812	81.5
435.32855	8.2
453.33887	7.0
527.37109	38.2
545.38263	18.6
552.25531	7.6
612.28363	29.9
612.47803	52.4
644.87054	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	613.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	7.6
69.03424	1.3
69.17457	1.4
69.17787	11.7
70.50961	1.1
81.03376	1.6
84.31826	1.1
84.96038	1.9
85.02898	2.9
98.21558	2.5
98.97588	11.1
110.97581	3.5
112.07589	2.5
116.98644	5.1
127.03981	2.2
128.44499	1.0
128.98608	3.2
143.00197	1.1
143.58205	1.1
147.04411	1.9
153.01846	5.3
156.03334	31.1
158.99625	3.5
161.01237	1.7
166.01753	2.3
168.03320	22.1
170.99713	1.9
174.04401	27.6
177.00667	1.4
184.02849	8.8
186.04401	72.5
192.05453	2.3
194.99704	2.5
201.00763	1.1
202.03934	5.8
204.05458	38.5
209.05978	1.0
210.99132	1.8
213.00676	3.6
219.01851	7.7
227.91154	1.0
228.05518	1.6
229.00223	4.3
237.02771	8.3
278.06708	1.2
279.10196	3.8
297.11240	12.9
303.01218	2.0
304.04901	11.3
312.07397	1.8
321.08380	1.6
322.05988	77.3
330.08630	6.4
340.07022	21.9
345.07336	1.4
355.03391	4.0
364.07120	2.5
373.04636	1.5
466.10300	1.7
484.11322	100.0
502.12112	3.5
525.13965	2.5
613.18933	3.7
616.82941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02382	2.2
53.03942	7.4
55.01886	4.9
55.05513	24.4
57.03433	9.3
57.07095	3.5
65.03955	2.8
66.07823	2.7
66.44756	2.7
67.05185	4.5
67.05512	69.3
69.07079	20.2
71.04977	3.6
79.05073	4.2
79.05505	57.0
80.05849	7.4
81.03431	33.6
81.07063	59.7
82.07393	6.7
83.04987	4.6
83.08617	17.0
87.46803	2.3
91.05484	44.5
92.05819	3.3
93.07053	59.5
94.07373	9.5
95.04948	12.4
95.08608	46.2
96.08954	7.9
96.78300	2.9
97.10175	4.4
98.21517	6.1
105.07040	32.7
106.07372	8.9
107.08607	22.9
108.08956	5.8
108.37622	2.3
109.10153	18.2
110.10512	4.6
111.08047	4.0
117.07056	12.3
119.08604	33.0
120.08954	7.7
121.06589	3.1
121.10168	18.7
122.10487	3.7
123.11742	5.3
125.09636	4.1
129.07039	12.4
131.08582	25.9
132.08937	8.5
133.10144	20.8
134.10526	2.9
135.11739	16.8
136.12030	3.7
139.11182	2.6
143.08589	11.0
144.08926	4.3
145.10159	20.6
146.10495	6.1
147.08035	3.1
147.11713	17.6
148.11972	2.8
149.09692	4.3
149.13318	9.1
155.08589	5.1
157.10150	9.9
158.10541	3.2
159.11688	13.0
160.12036	3.6
161.13284	10.0
162.13629	4.2
163.11142	3.2
163.14943	2.6
169.10138	5.6
171.11674	5.8
173.13290	8.2
174.13600	3.1
175.11226	3.6
175.14815	7.9
179.14339	3.7
185.13292	7.9
186.13676	5.3
187.14873	3.3
193.12300	8.7
197.13274	3.9
199.14842	6.0
212.15280	3.0
213.16454	3.6
215.17838	3.1
241.19534	5.0
242.19870	5.1
243.21147	3.2
257.19049	4.1
259.20624	6.0
260.21039	7.5
261.22238	8.8
267.15942	43.2
289.08325	2.7
329.17496	2.7
333.24316	6.2
334.24551	5.4
335.25876	41.2
336.26282	10.6
339.10120	2.7
355.67566	3.1
520.42279	8.0
527.37189	17.6
538.43158	3.7
545.38776	10.5
594.45984	6.0
612.47076	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	612.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01845	2.3
55.05498	10.6
57.03431	5.9
57.07067	4.1
59.15691	2.1
63.55058	2.1
64.59604	2.4
67.05506	38.1
69.03424	4.7
69.07059	11.0
71.04982	10.2
71.08636	12.8
71.51530	2.2
71.51920	2.6
79.05502	24.3
81.03413	3.3
81.07056	49.3
82.07370	2.8
83.04974	3.8
83.08619	8.7
85.06538	4.3
91.05463	25.4
93.07050	32.2
94.07373	4.0
95.04982	4.3
95.08605	21.9
97.06573	4.3
99.08101	5.5
105.07032	18.7
105.74216	2.3
107.04944	3.6
107.08580	14.1
109.06550	3.3
109.10165	11.5
113.09697	2.3
117.07043	6.0
118.06583	4.2
119.08560	10.7
121.10177	12.2
123.11693	5.0
125.00008	6.9
125.09680	2.3
129.06953	4.1
131.08574	8.6
133.10146	14.4
135.11732	11.5
143.08554	4.6
144.08099	11.8
145.10106	6.1
147.11571	3.5
149.13278	5.5
151.11185	6.8
157.10117	3.2
158.09656	3.4
159.11714	4.1
161.13235	4.7
163.11165	5.6
172.11162	3.2
173.13309	2.6
176.14362	23.6
179.14296	20.7
181.12175	2.7
185.13303	2.9
202.15918	100.0
220.16980	99.6
220.19104	5.6
225.14816	3.4
259.20624	4.5
277.21606	18.6
300.13571	70.8
301.20065	17.1
351.25174	7.7
356.06769	2.8
519.36816	19.0
520.42358	4.2
533.38342	8.1
545.38312	23.9
577.40771	20.6
594.39191	9.4
612.38879	36.6
612.47620	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	612.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.5
55.01871	6.2
55.05514	26.5
57.03431	8.4
62.21492	2.3
65.03928	4.1
66.28265	2.4
67.05510	64.3
68.05856	3.5
68.30023	2.1
69.03413	4.3
69.07071	20.9
69.43391	12.5
69.43812	5.5
71.04992	6.1
71.08636	16.3
73.02932	2.6
79.05077	3.7
79.05498	54.4
80.54768	2.0
81.03419	9.4
81.06593	4.4
81.07060	61.3
82.07369	2.9
83.04971	11.1
83.08620	13.4
85.06547	3.7
91.05478	45.7
92.05801	2.9
93.06482	4.5
93.07047	74.8
95.01341	6.9
95.04994	16.1
95.08614	62.5
97.02887	7.5
97.06516	7.5
97.10165	6.3
97.80487	2.7
99.08112	14.2
105.07038	29.0
107.04960	8.8
107.08612	39.4
109.06521	6.5
109.10151	10.5
110.10453	3.0
111.04463	2.8
111.08070	5.1
117.07024	18.8
119.08566	21.1
121.06478	7.8
121.10139	26.3
122.10467	2.8
123.08075	3.3
123.11706	3.8
125.06018	3.1
125.09668	2.7
129.07024	4.5
131.08536	11.5
133.10130	15.4
135.08093	5.5
135.11697	58.6
139.07547	4.5
143.08534	4.8
145.10135	38.2
147.04411	22.3
147.11687	5.0
148.04753	7.5
149.13255	9.0
151.11217	15.0
155.08562	2.9
157.10162	3.3
159.11641	5.4
161.13280	4.1
163.11185	64.4
171.11658	3.1
175.14861	3.4
177.12704	2.9
179.14320	6.0
181.12213	7.2
181.33464	2.4
195.13838	3.3
212.16376	2.8
227.12788	100.0
241.19453	6.1
251.16536	2.9
259.13306	16.9
259.20547	7.5
260.13571	14.4
269.17609	14.6
276.09958	3.4
277.21735	13.9
283.15417	43.3
291.19693	3.1
333.16843	3.3
334.16922	4.1
335.25891	7.1
336.26141	7.5
351.25247	27.5
381.22565	3.2
477.28537	71.5
479.30627	3.9
499.55432	3.0
559.36163	21.8
594.38678	2.8
612.24780	3.6
612.39581	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	612.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.8
55.01867	11.9
55.05272	3.6
55.05520	43.1
57.03439	20.5
57.07078	5.8
57.74759	3.2
64.47234	3.2
65.03955	6.4
66.21408	3.1
67.05511	92.1
69.03440	11.7
69.07078	34.4
70.06595	13.0
71.05004	11.1
75.87141	2.9
79.05497	79.4
80.05856	3.5
81.03424	63.7
81.07066	100.0
83.04989	31.5
83.08631	34.6
85.02920	29.0
85.06550	5.2
86.81339	3.3
87.04139	2.9
88.07626	13.5
91.05482	86.8
93.07056	72.2
95.04982	34.5
95.08607	36.8
95.11395	3.5
96.22459	3.3
97.02895	5.3
97.06523	19.0
97.10193	13.3
97.39336	4.2
98.20756	7.7
99.08031	3.5
102.09195	11.3
105.07049	64.6
107.04986	17.1
107.08591	36.4
109.06558	8.6
109.10158	15.2
111.04493	5.9
111.08091	11.6
113.06036	3.7
117.07039	20.3
117.39088	3.4
119.08591	49.1
121.10146	15.8
123.08078	5.8
123.11709	4.9
125.09631	11.3
129.07010	18.0
131.08566	32.7
133.10143	36.9
135.08076	4.9
135.11716	16.2
137.09624	7.5
141.07048	5.3
143.08531	5.5
145.10179	16.8
147.04425	19.4
147.11684	25.3
149.02327	6.6
149.09624	22.6
149.13277	11.9
155.08539	5.1
157.10143	20.8
159.11703	13.3
161.13258	5.7
163.11218	14.6
165.12701	6.1
171.11713	6.3
173.13193	3.8
175.11220	13.5
176.71036	3.9
189.11250	4.6
191.07034	30.6
193.05014	4.9
193.12263	53.3
195.13832	8.0
211.13300	61.7
219.06622	4.1
227.12822	9.5
228.23380	5.3
239.18066	5.1
241.62584	3.8
255.15941	14.2
256.26428	23.5
257.19089	10.1
267.15857	21.8
269.17511	21.0
275.20117	30.6
285.16977	41.7
314.76974	3.4
349.23727	24.8
357.09723	8.8
367.24805	3.6
383.11182	22.7
409.94852	3.4
447.27380	6.8
461.28833	13.7
465.28482	17.8
479.30179	53.2
541.34937	7.5
559.36292	11.9
577.36658	3.8
612.35187	48.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.9
55.01860	6.6
55.05513	34.8
57.03436	22.3
57.07064	5.4
59.34727	3.2
65.03928	4.8
67.05510	76.5
69.03425	8.3
69.07072	31.5
70.16111	13.9
71.04988	6.1
73.04726	3.6
79.05496	67.6
81.02988	4.9
81.03423	58.8
81.07066	100.0
83.05000	20.3
83.08636	26.0
85.02907	18.3
85.06008	3.1
85.06523	5.6
91.04373	2.8
91.05478	73.5
93.07048	71.8
95.04969	34.1
95.08615	35.6
97.06546	17.5
97.10168	8.1
99.08117	6.7
105.07037	57.1
107.04978	17.6
107.08604	33.5
109.06503	7.0
109.10176	21.2
111.08070	12.7
115.05460	6.1
117.07019	14.2
119.08592	42.7
121.06520	8.9
121.10159	24.9
123.08109	8.0
123.11689	5.1
129.07031	16.8
131.08565	26.8
133.06444	5.7
133.10121	30.6
135.08076	4.5
135.11690	13.8
137.09613	4.8
142.07808	7.0
143.08516	4.6
145.10120	11.4
147.04427	6.1
147.08064	4.3
147.11710	27.3
149.09622	14.9
149.13255	14.0
157.10149	18.2
159.08197	3.3
159.11691	12.9
163.11177	13.8
165.12775	5.1
171.11667	4.8
175.11197	13.2
177.12779	4.4
179.14282	4.2
181.12251	4.3
183.11572	3.7
187.14757	4.0
193.12262	51.8
195.13768	7.8
211.13304	56.2
227.12714	5.2
255.15884	12.8
257.19052	7.0
267.15967	20.6
269.17523	29.0
275.20117	23.8
285.17007	49.6
323.47308	3.2
349.23663	10.9
447.27252	7.4
461.29001	17.5
465.28458	12.5
479.30048	47.7
541.34271	4.2
559.36285	5.1
569.47546	3.8
629.13916	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	612.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.4
57.03453	0.7
57.07072	2.0
67.05511	4.0
69.03419	0.5
69.07062	1.3
69.22297	2.1
69.22725	1.5
69.45106	0.4
71.08635	1.4
74.08671	0.4
79.05499	2.8
80.40326	0.3
81.03401	0.9
81.07060	3.5
83.04982	0.8
83.08631	0.9
85.10191	0.7
89.24382	0.4
91.05480	1.5
93.07060	2.2
95.08611	2.3
97.10204	0.5
98.98485	1.6
99.08085	0.7
105.07014	1.9
107.08606	1.1
109.10149	1.6
118.06552	4.6
119.08584	1.2
120.08838	0.4
121.10165	0.7
125.00012	5.4
131.08597	1.0
132.08099	1.7
133.08882	0.8
133.10135	0.9
135.11737	0.6
139.11154	0.4
143.08588	0.6
144.08087	11.5
145.10172	0.7
146.09663	1.2
147.11646	0.7
150.27821	0.4
157.10101	0.4
158.09642	4.3
159.10457	2.0
159.11595	0.4
160.11185	0.5
162.09126	2.6
172.11203	3.4
173.11848	0.9
176.10767	1.7
176.14351	21.8
177.11526	0.6
177.14780	0.5
190.12260	1.4
202.15915	100.0
203.16246	1.2
220.16972	94.0
221.17285	1.1
277.21677	0.5
293.52902	0.4
299.14590	0.4
300.13605	64.5
301.13843	0.8
336.26248	0.5
374.17355	0.6
448.81802	0.4
519.36505	0.4
542.25830	0.4
571.24976	1.2
594.38989	6.4
612.39941	29.7
613.26233	0.7
613.40436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
53.92371	0.8
55.01878	2.0
55.05265	1.5
55.05513	14.7
55.13008	0.9
57.03434	4.3
57.07063	3.7
65.03958	2.7
67.05509	43.0
69.07068	15.1
71.05003	1.9
71.08617	2.3
79.05497	30.8
81.03426	1.2
81.07063	38.1
83.04996	1.8
83.08623	8.1
85.06545	1.7
86.88969	1.0
91.05487	28.4
93.07051	34.6
95.04981	3.5
95.08614	35.1
96.08982	1.1
97.06540	2.7
97.10178	4.5
98.20724	2.1
99.08128	1.8
99.87270	1.0
103.05493	1.1
105.04504	1.2
105.07032	29.7
106.40486	0.9
107.08604	19.4
109.06516	2.4
109.10165	14.5
111.08097	1.5
115.05489	1.6
117.07027	11.5
119.08597	23.3
121.10149	15.3
123.11682	4.7
124.00939	0.9
126.46382	1.0
128.06227	1.7
129.07013	11.4
131.08575	21.0
131.09529	1.8
131.74397	1.1
133.10133	19.9
135.07976	1.1
135.11693	10.9
135.12598	1.2
137.09674	1.2
141.06999	4.0
142.07791	1.9
143.08569	11.9
143.09579	1.3
144.09386	1.3
145.10135	22.1
147.11688	14.7
149.09648	1.2
149.13274	7.0
155.08539	4.9
157.10156	12.6
159.11699	15.3
161.13269	11.2
163.11217	1.3
163.14835	2.1
167.08676	2.4
169.10153	6.9
171.11703	11.2
172.12402	1.2
173.13278	10.9
175.11162	1.3
175.14868	5.1
177.12886	1.5
177.16464	1.2
181.10158	3.3
183.11722	7.9
185.13261	9.5
187.14847	4.8
189.16360	1.5
193.10069	1.2
195.11758	2.4
197.03325	0.9
197.13242	6.0
199.14844	6.6
201.16444	3.8
203.17935	1.1
209.13338	3.2
211.14886	3.0
213.16472	3.9
215.18010	2.6
217.19496	1.6
223.14964	2.6
225.16449	2.1
227.17995	2.7
229.19672	1.8
229.53127	1.1
231.21065	2.0
237.16451	1.8
239.18034	3.1
241.19571	9.5
253.19492	2.1
257.19086	3.5
259.20575	13.8
261.22180	2.9
275.20013	1.6
285.22095	1.3
299.23752	1.2
311.23868	2.4
315.23294	1.1
325.25702	1.2
333.24188	7.7
335.25851	10.9
337.27576	2.1
339.27151	1.0
353.28415	1.7
377.63269	1.2
398.27124	1.0
449.33636	1.5
510.90515	1.0
519.42108	7.8
537.43005	3.0
541.38922	1.4
575.44293	1.6
593.45557	7.8
611.46735	100.0
612.47327	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	612.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54332	0.4
55.01877	0.4
61.02911	0.4
69.03416	1.8
69.03751	0.4
71.04990	0.4
71.50043	0.6
78.04713	2.0
79.05489	0.5
81.03407	1.5
81.44991	0.4
85.02910	4.1
87.00826	1.8
97.02904	1.6
98.97563	0.4
99.04414	0.8
104.00268	0.4
105.01852	1.1
106.04173	1.0
108.04504	0.4
109.02879	1.5
121.02905	0.4
123.04435	4.0
124.05212	0.8
127.03923	1.7
137.03967	0.4
145.04936	0.8
145.13002	0.4
146.10458	0.4
151.03929	0.7
152.04666	1.1
153.01817	0.8
159.02914	0.7
159.46133	0.4
165.05409	0.4
167.07042	100.0
168.07407	0.9
210.11548	0.4
229.25847	0.4
231.04909	0.4
287.05499	5.0
288.05850	6.1
288.30630	0.4
368.17249	0.4
450.11203	0.6
549.06293	0.4
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
53.03943	1.6
55.01870	2.2
55.05511	18.2
57.03435	4.2
57.07077	4.3
59.44825	0.6
65.03939	2.3
67.05506	31.4
69.07068	12.9
69.83210	3.0
71.04974	1.8
71.08620	2.7
77.03910	0.6
79.05492	22.2
81.03436	1.1
81.07058	30.6
83.04982	1.8
83.08620	8.0
85.06543	1.6
85.10170	0.6
87.20937	0.5
87.24268	0.5
88.64504	0.6
91.05477	16.6
93.07044	24.0
95.04974	1.3
95.08605	22.9
97.06533	2.5
97.10168	3.7
99.08086	0.9
103.05489	1.1
105.04527	0.8
105.07030	19.3
107.04960	0.8
107.08599	14.0
109.06510	1.0
109.10153	10.8
111.08100	1.6
111.11709	0.9
112.87682	0.6
115.05467	1.4
117.07014	12.3
119.08583	15.2
121.10146	9.8
123.08078	1.7
123.11703	2.9
125.09666	1.8
128.06238	2.8
129.07005	11.3
130.07814	1.1
131.08569	19.9
133.10135	11.9
135.08121	0.8
135.11668	6.8
137.13258	1.3
141.06937	3.5
142.07773	2.2
143.08562	15.1
145.10123	18.2
147.11687	6.9
149.13239	4.0
151.11209	0.8
153.07092	0.9
154.07794	0.8
155.08551	9.4
156.09320	1.3
157.10136	15.1
159.11707	12.3
161.09650	0.7
161.13277	3.5
163.11137	0.9
163.14845	0.9
165.06990	0.8
165.16399	0.9
167.08624	2.1
168.09367	1.3
169.10114	10.9
170.10913	1.0
171.11697	11.9
173.13251	7.3
175.14877	2.7
177.16434	1.4
179.08543	1.3
179.14317	1.1
181.10158	4.6
183.11673	9.7
185.13234	8.9
187.14842	4.9
189.16403	2.1
191.17941	1.0
195.11642	4.3
197.13231	7.1
199.14818	5.9
201.16354	4.6
203.18002	1.5
205.19678	0.7
207.11754	1.2
209.13235	3.9
211.14853	5.8
213.14709	0.8
213.16403	3.9
215.17986	2.6
217.19637	0.9
221.13332	1.6
223.14894	3.0
225.16374	4.0
227.14507	0.9
227.18076	3.1
229.19604	2.6
231.17451	1.0
235.14880	1.6
237.16446	2.0
239.18056	3.2
241.19604	2.7
243.21107	1.8
247.20671	0.9
249.16432	1.0
251.17998	1.2
253.19601	1.6
255.21330	1.3
257.18948	0.7
259.20856	1.2
261.22101	1.1
265.19586	1.3
267.21219	2.0
269.18906	0.7
269.22827	0.7
277.21747	1.0
283.20605	1.1
283.24039	0.8
295.24362	0.7
297.22076	1.0
307.20523	0.6
309.21942	0.7
323.23700	1.4
325.21649	0.7
325.25195	0.9
327.23224	0.8
337.25314	1.0
339.23166	0.7
339.26981	1.3
341.24847	1.1
353.28561	1.8
355.17468	0.7
367.30200	1.5
379.30121	0.8
381.31824	1.2
387.29651	0.7
395.33499	0.9
407.33264	1.1
431.32700	0.7
435.31982	0.9
449.34595	1.2
451.35672	0.9
452.28757	0.7
501.40836	1.8
509.36731	0.7
519.42047	9.7
523.37775	0.9
527.37640	1.0
537.43121	6.0
541.38849	1.2
575.44287	1.4
593.45660	8.8
611.46759	100.0
612.47205	2.6
622.85938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.5
55.05517	15.0
57.03439	5.7
57.07088	3.5
65.03943	1.7
67.05509	43.5
68.17785	1.3
69.07074	17.5
71.04979	1.5
71.08641	1.9
75.52182	1.5
79.05121	0.9
79.05499	36.2
81.07063	47.0
81.07533	2.4
83.08620	10.1
85.06563	1.8
91.05481	31.4
93.07050	35.4
95.04964	2.9
95.08002	1.8
95.08610	37.0
95.10953	1.2
97.06541	3.2
97.10175	4.1
99.08096	3.0
105.07039	32.0
107.08597	22.0
109.06360	1.2
109.10163	13.1
111.08106	1.3
113.04140	1.4
115.05525	1.4
117.07032	15.4
119.08587	31.2
121.10149	16.6
123.11736	4.8
128.06284	2.6
129.07001	9.8
130.07721	1.3
131.08580	23.7
133.10133	21.3
133.11079	1.4
135.11693	13.1
137.13264	1.4
139.11179	1.5
141.07018	3.0
142.07831	2.1
143.08574	12.3
145.10130	22.2
147.11699	16.4
148.83174	1.3
149.09612	1.3
149.13268	8.2
151.11224	1.5
153.26443	1.3
155.08600	4.9
157.10135	13.2
159.11710	15.4
161.13274	12.7
163.14850	2.9
169.10155	7.5
169.11440	1.2
171.11682	14.0
173.13287	12.0
175.14861	5.4
179.14369	3.9
181.10155	2.0
183.11690	6.9
185.13301	10.5
187.14851	7.8
189.16542	2.7
195.11771	3.6
197.13326	5.6
199.14798	7.5
201.16458	3.3
209.13359	2.6
211.14914	3.7
213.16454	5.8
215.17969	2.6
223.14771	2.3
225.16402	2.4
227.18140	2.2
229.19548	2.0
231.21106	2.5
237.16399	1.6
239.17969	2.3
241.19559	7.8
243.21310	1.7
257.19113	4.5
259.20612	15.1
261.22272	3.6
277.21713	3.2
285.18848	1.3
313.21994	1.4
313.25412	1.6
315.23489	1.7
333.24228	10.0
335.25790	13.0
337.27673	1.4
339.26822	1.7
353.28403	2.0
489.35516	1.6
501.41895	2.0
519.41974	6.9
537.42963	4.1
541.39178	1.5
593.45801	11.0
611.46759	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	611.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.5
55.01860	5.8
55.02091	1.2
55.05268	1.5
55.05517	20.9
57.03445	7.0
57.07071	2.7
59.05012	1.3
65.03936	3.7
67.05509	52.5
69.03415	2.1
69.07075	15.4
71.04985	2.9
71.08635	2.8
71.51989	1.8
77.24760	1.3
79.05495	40.9
81.03432	7.8
81.07059	49.5
82.07362	1.3
83.04972	3.8
83.08631	8.9
85.06532	2.1
91.05482	37.1
92.18695	1.3
93.06482	2.5
93.07048	36.7
94.07363	1.4
95.01328	30.8
95.04978	11.5
95.08611	33.8
97.06512	3.3
97.10159	6.5
99.08077	1.7
105.04478	1.9
105.06397	1.9
105.07037	19.2
107.04961	10.9
107.08604	20.8
108.08925	1.6
109.02872	1.5
109.06509	2.4
109.10174	15.6
110.10479	1.7
111.08081	1.7
115.05446	3.1
117.07014	9.9
119.04928	6.0
119.08603	14.7
120.08865	1.7
121.02917	1.6
121.06511	3.6
121.09430	1.8
121.10166	15.1
123.04442	5.0
123.08035	2.7
123.11715	3.7
125.09644	4.5
128.06198	3.1
129.07031	7.3
131.04903	2.4
131.08571	16.1
133.06476	4.4
133.10133	9.7
134.10387	1.5
135.08051	1.9
135.11667	8.7
137.05948	1.6
137.09605	1.4
141.06998	2.3
143.08528	7.9
145.06505	4.4
145.10117	10.5
147.04419	100.0
147.08051	3.1
147.11690	4.8
149.05998	1.9
149.09599	4.8
149.13268	6.1
151.11171	1.4
155.08549	4.6
157.06485	3.3
157.10135	4.0
159.08054	2.6
159.11707	5.4
161.05984	5.4
161.09576	1.4
161.13264	4.4
163.11176	4.4
163.14783	1.9
167.08557	2.7
169.06442	1.5
169.10133	3.1
171.04454	3.8
171.08035	3.2
171.11652	2.9
173.05995	3.5
173.09637	1.9
173.13228	2.6
181.10112	2.6
183.08073	1.5
183.11685	2.3
185.05939	2.9
185.09628	2.6
185.13210	2.8
189.11102	1.5
193.10016	1.5
195.11707	2.4
197.09642	1.4
197.13206	1.7
199.07393	1.4
211.14804	1.4
213.09081	1.3
213.12752	1.7
223.11249	1.8
227.12764	1.6
241.12198	1.9
243.20880	2.0
249.14813	1.6
259.13318	87.4
261.22125	7.0
275.20026	3.1
276.20343	1.9
277.14365	4.1
279.23053	1.5
289.14417	7.2
297.14774	2.7
313.17865	1.5
315.15714	7.7
325.21585	1.6
333.17020	19.9
335.25830	43.3
335.29901	2.1
501.34091	1.5
519.34546	3.7
583.40308	1.3
593.38330	8.6
611.37500	14.3
611.46320	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	611.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41858	0.3
55.63200	0.3
57.03445	1.8
57.11034	0.3
61.02919	1.4
61.03243	0.4
68.99798	0.6
69.03437	0.6
71.04999	10.5
71.43148	0.6
75.04488	0.6
81.03398	0.5
83.04964	0.4
85.02911	14.9
91.03928	0.7
97.02904	1.2
109.02888	0.7
111.00804	0.8
111.04457	0.5
121.02862	0.7
127.03893	0.7
129.05499	4.0
137.02368	2.3
145.04968	0.5
147.06567	0.8
149.02385	0.6
153.01868	3.0
165.01863	1.8
173.05965	0.4
183.02899	0.8
201.05478	1.5
229.04984	3.8
247.06055	0.7
257.04453	2.5
274.04849	0.8
285.03754	1.6
287.05527	5.3
303.05014	100.0
304.05527	1.6
315.05008	1.1
327.67267	0.3
345.06161	1.1
369.05942	0.7
447.08844	0.6
449.10974	0.8
465.10236	1.2
473.93326	0.3
511.06476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12862	0.4
56.22678	0.4
57.03424	1.4
61.02915	0.7
68.92054	0.5
68.99793	0.5
69.03428	0.7
69.45420	1.1
69.45827	1.5
71.04997	13.2
73.02907	0.7
75.04457	0.5
81.03426	0.6
81.83115	0.4
83.04958	0.9
85.02908	15.5
97.02872	1.1
111.00796	1.1
121.02834	0.6
121.94812	0.4
127.03867	0.8
129.05472	4.4
137.02351	2.3
147.06479	0.9
153.01859	3.0
165.01822	2.0
183.02876	0.6
191.15878	0.4
201.05521	1.5
204.70284	0.5
229.04980	4.1
257.04370	3.0
270.38843	0.5
285.03992	1.2
287.05667	0.5
303.05005	100.0
304.05252	1.9
465.10532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.05509	1.6
57.03421	0.7
57.56441	0.4
67.05515	4.7
69.07084	1.3
71.08640	0.5
71.51619	0.8
73.04752	0.7
79.05493	3.7
81.03411	1.0
81.07051	3.6
82.07393	0.4
83.04996	0.6
83.08616	0.5
89.56379	0.5
91.05434	3.1
93.07052	3.2
95.04987	1.1
95.08620	2.2
97.06548	0.7
97.10174	0.8
97.92875	0.5
99.08091	0.7
105.07038	2.4
107.08607	2.1
109.02990	0.4
109.10165	1.9
119.08585	2.2
121.10150	1.4
129.07039	0.5
131.08615	1.3
133.10156	1.6
135.11717	1.5
143.08484	0.8
145.10117	1.0
147.04346	0.5
147.11731	0.7
149.09665	0.6
151.11189	0.7
157.10197	0.8
159.11758	0.6
161.13283	0.6
163.11278	0.9
179.14380	1.3
195.12102	0.5
198.21861	0.4
215.52075	0.4
250.97931	0.4
253.14519	0.5
303.05063	0.5
376.16965	0.8
377.17642	0.7
379.19299	0.5
389.17853	0.6
390.18625	0.5
391.19226	1.0
393.20844	0.8
403.19449	0.7
405.16992	1.5
405.21204	1.4
407.22726	3.3
418.18015	1.4
419.17783	2.8
419.23218	0.9
420.19324	1.2
421.20505	2.7
422.21585	0.6
423.22040	1.3
431.18497	0.8
432.19266	0.9
433.20102	7.8
434.21106	3.3
435.17978	2.8
435.22147	2.9
436.22849	0.7
437.23804	2.8
446.21014	1.3
447.21835	2.3
448.22501	0.6
449.19464	5.2
450.20313	2.2
451.21509	3.4
461.23624	0.8
463.21271	2.6
464.22104	7.5
465.22964	7.1
477.23203	2.9
478.23648	1.0
491.24750	0.6
493.22601	0.6
496.24420	0.7
509.21500	2.4
520.24646	0.6
521.25720	4.6
523.23798	1.0
533.25629	0.6
536.24341	0.8
551.26624	22.2
552.27441	1.1
581.27673	0.7
611.28680	100.0
612.28931	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	611.1609
Annotation	Rutine
Peak:m/z	Relative Intensity
57.03439	2.0
58.52353	0.3
60.88799	0.4
61.02930	0.7
68.99820	0.3
69.03429	1.2
69.40374	2.4
71.04999	10.6
73.02912	0.6
81.03419	0.8
83.04962	1.0
85.02912	15.5
97.02895	1.2
99.04408	0.4
109.02850	0.5
111.00793	0.9
111.04467	0.5
127.03921	0.9
129.05493	3.7
131.84479	0.4
137.02344	3.0
147.06522	1.3
152.21310	0.4
153.01834	2.9
163.03984	0.4
165.01839	2.0
183.02945	0.3
201.05507	1.4
229.04948	3.9
236.56599	0.4
247.05933	0.5
257.04407	2.3
259.74979	0.4
274.04831	0.6
285.03983	1.3
303.05005	100.0
304.05350	1.3
330.46930	0.4
465.10736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.161
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03938	0.4
55.01862	0.3
57.03425	0.6
61.02933	0.8
65.54346	0.2
65.65657	0.2
66.02496	0.2
67.24886	0.1
68.99789	0.4
69.03092	0.1
69.03435	1.9
71.02583	0.2
71.02903	0.2
71.04995	0.4
73.02913	0.3
74.90354	0.1
81.03420	1.1
85.02910	5.7
87.04478	0.2
91.03968	0.2
97.02905	1.8
99.04435	0.3
105.03378	0.3
106.83947	0.2
107.04974	0.3
109.02850	0.7
111.00793	0.5
121.02867	2.5
127.03902	1.1
130.99286	0.2
133.02855	0.5
137.02364	0.5
145.04964	0.9
147.04393	0.6
153.01843	3.2
157.06514	0.4
161.05894	0.2
165.01839	1.6
169.06409	0.2
171.04445	0.2
183.02916	0.6
185.05986	0.5
197.06023	0.3
199.03845	0.2
213.05507	1.3
222.57474	0.2
229.04897	0.2
231.06500	0.9
241.05000	0.8
245.04457	0.2
258.05212	0.8
259.06012	0.4
269.04517	0.3
287.05511	100.0
288.05896	1.1
299.05789	0.3
303.04971	2.3
384.18445	0.2
441.11044	0.3
449.10779	5.9
491.17261	0.2
557.08618	0.2
611.13403	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.3
61.02932	3.7
68.99791	0.4
69.03444	0.9
70.90607	0.2
70.90943	0.4
70.94726	0.1
72.29220	0.2
73.02924	1.0
81.03413	0.4
85.02428	0.3
85.02907	3.4
91.03960	1.9
97.02898	2.1
99.04482	0.2
103.05449	0.2
105.03374	0.3
107.04940	0.3
109.02891	0.4
109.60250	0.2
111.00811	0.6
116.76354	0.2
118.84908	0.2
121.02872	2.3
127.03921	0.7
133.02863	0.5
137.02344	0.7
141.52640	0.2
145.04959	0.5
145.06493	0.3
147.04414	0.4
153.01843	3.2
157.06563	0.3
165.01846	1.4
171.04247	0.2
183.02908	0.6
185.05960	0.4
185.68835	0.2
197.06007	0.3
213.05453	1.0
231.06441	0.8
237.46416	0.2
241.05013	0.9
258.05310	0.9
259.06042	0.6
266.01648	0.2
287.05511	100.0
288.05817	1.5
303.04926	0.5
310.06793	0.2
315.33701	0.2
329.06424	0.3
449.10809	6.2
470.46194	0.2
474.17923	0.2
549.76239	0.2
564.42310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1397
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.01575	0.4
69.03413	0.8
70.06605	0.6
71.51368	0.5
79.05493	1.3
79.53403	0.4
81.03419	1.0
82.11880	0.5
83.53760	0.4
85.02902	1.5
89.03915	6.1
91.05479	1.2
92.45226	0.4
97.02871	1.0
107.04937	2.5
109.02920	0.6
117.03378	8.7
119.04935	1.4
121.02878	1.6
133.02887	0.6
135.04422	16.4
137.02341	0.9
145.02849	12.3
145.03931	0.4
145.10162	0.5
147.04422	7.2
153.01878	3.6
163.03914	100.0
164.04271	0.9
165.01872	0.9
203.86864	0.5
213.05511	1.1
231.06584	0.8
241.04956	0.8
243.06740	0.6
258.05237	0.8
258.99365	0.4
287.05518	61.3
299.05600	1.4
303.05023	1.9
317.06561	10.9
317.10178	0.7
325.09265	3.3
329.06445	0.7
449.12210	0.5
479.11740	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	611.14
Annotation	Helichrysoside
Peak:m/z	Relative Intensity
53.03948	0.4
55.19970	0.2
55.97318	0.2
57.03437	0.2
59.48920	0.2
64.38784	0.2
65.03937	1.2
69.03433	1.4
69.41688	1.8
70.06593	0.4
71.04980	0.3
79.05490	0.3
81.03432	4.4
81.07043	0.4
85.02908	1.2
86.09698	0.5
89.03922	1.6
91.05488	11.4
93.07048	0.3
95.04972	0.3
95.08610	0.4
97.02901	0.8
99.04426	0.4
105.07057	0.3
107.04971	0.4
109.02883	1.4
117.03379	1.5
119.04951	26.6
121.02885	0.5
121.10160	0.4
127.03917	0.8
135.04433	3.4
137.02328	0.9
145.02861	2.2
145.10193	0.3
147.04417	100.0
148.04762	0.7
153.01822	1.9
163.03920	18.1
165.01848	0.5
165.05504	2.8
167.07042	0.3
180.71751	0.2
181.05014	0.5
183.02956	0.4
190.08305	0.3
197.00722	0.2
201.05533	0.4
229.04855	1.1
257.04440	0.2
287.05511	5.8
291.08640	4.6
291.11670	0.4
299.05615	1.0
299.68747	0.3
303.05008	19.7
307.08060	0.8
309.09607	1.6
317.06711	0.5
325.09338	0.5
380.63678	0.3
485.48929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.2
55.01881	0.3
55.05507	0.4
57.03444	2.1
61.02916	1.1
67.05497	0.2
67.35199	0.2
68.99802	0.5
69.03426	1.3
69.63036	1.4
70.06614	0.3
71.01336	0.3
71.04998	14.2
73.02927	0.5
75.04481	0.7
81.03399	0.6
83.04973	0.7
84.33758	0.2
85.02910	17.5
85.19532	0.2
87.04462	0.3
91.03944	0.5
93.03412	0.3
97.02894	1.1
99.04445	0.3
100.11241	0.3
103.03912	0.3
109.02885	1.0
110.07216	0.3
111.00816	0.9
111.04443	0.7
119.08578	0.2
121.02900	1.0
127.03940	1.1
129.05493	4.2
137.02344	3.1
145.04947	0.7
147.06508	1.1
149.02379	0.4
153.01828	3.6
155.04903	0.3
163.03947	0.5
165.01877	1.6
166.02621	0.2
173.05951	0.4
177.05672	0.2
183.02914	1.0
183.04424	0.5
201.05464	1.4
205.04945	0.3
210.14914	0.5
213.05501	0.3
219.06613	0.4
229.04980	4.5
247.06070	0.8
257.04480	2.5
274.04730	0.4
285.04031	1.2
287.05557	2.9
302.04376	0.3
303.05002	100.0
304.05405	1.4
315.04947	0.6
327.05109	0.3
345.05954	0.8
369.06128	0.3
369.62836	0.2
413.08533	0.4
447.09055	0.3
449.10693	1.0
465.09979	0.6
611.45166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.9
55.05519	32.2
57.03440	23.9
57.07084	4.5
59.49658	2.9
65.03920	4.6
67.05511	82.4
69.03426	11.3
69.07077	41.2
71.04984	8.9
71.51657	5.3
73.04766	4.7
79.05070	5.4
79.05500	76.9
81.03418	37.6
81.07063	82.1
83.04975	12.2
83.08627	29.3
85.02897	10.3
91.05459	56.2
93.07059	86.5
95.04982	28.0
95.08624	54.9
95.09194	7.4
97.02898	11.1
97.06537	17.6
97.10174	10.3
99.04462	4.9
100.40029	4.0
105.07034	43.3
107.04973	23.6
107.08603	57.6
109.06520	10.7
109.10146	15.8
110.10430	3.9
111.08076	10.3
113.06018	4.1
117.07056	27.2
119.08601	39.3
121.06499	12.8
121.10158	34.6
123.08107	7.0
123.11720	6.2
125.09656	8.5
129.06993	8.6
131.08600	20.7
133.10144	25.7
135.08083	6.5
135.11703	55.2
137.09589	5.0
143.08626	5.2
145.10130	40.2
147.08060	7.6
147.11696	11.1
149.09665	14.8
149.13251	12.2
154.26549	3.5
156.80606	3.6
157.10104	11.8
159.11667	16.3
161.09708	5.5
163.11172	56.9
173.13258	3.4
175.11227	7.1
175.89172	3.9
175.95317	3.8
181.12228	12.9
193.12270	22.7
195.13873	7.9
211.13364	28.5
223.13324	6.2
227.12798	100.0
255.15976	11.1
257.19040	6.6
267.15945	16.5
269.17523	25.2
273.18454	10.7
275.20078	15.1
277.21927	3.8
283.15408	55.8
285.16925	26.5
291.19583	65.1
299.05768	3.7
349.23798	19.0
355.06934	12.5
365.23166	15.8
367.24634	5.3
404.96335	3.9
453.33353	3.8
458.90143	4.0
463.26968	17.1
477.28433	59.7
557.34436	28.5
567.78320	4.6
575.35742	20.1
610.43988	8.2
619.90594	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	610.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
55.01855	16.8
55.05513	49.3
55.80834	4.0
57.03436	23.9
67.05185	5.8
67.05510	87.1
68.05827	4.4
69.03418	10.7
69.07072	42.5
71.04965	7.3
71.18214	4.4
71.51680	7.5
73.04753	7.3
74.32362	4.4
79.05497	92.6
80.05791	3.9
81.03421	37.2
81.06588	7.7
81.07059	97.9
82.03732	5.3
83.04995	25.3
83.08618	35.6
85.02907	10.8
85.06528	4.8
86.06007	5.4
87.90178	3.5
91.05457	57.4
93.06482	6.7
93.07048	94.8
95.04963	29.0
95.08609	73.0
97.02862	13.3
97.06521	14.7
97.10141	15.6
99.04421	4.7
99.08102	4.5
105.07031	48.2
107.04960	19.8
107.08591	56.5
109.06535	11.3
109.10154	22.1
111.08073	15.4
117.07004	31.9
119.08569	52.5
121.06499	12.0
121.10147	28.6
123.08075	7.4
125.06001	7.4
125.09603	8.9
128.06236	4.2
129.06993	12.0
131.08585	26.0
132.08809	4.4
133.10147	27.3
135.08052	8.2
135.11691	63.8
143.08504	8.1
145.10129	55.1
147.08006	9.3
147.11678	17.2
149.09586	8.5
149.13274	5.5
151.11183	6.1
155.08542	5.7
157.10147	12.5
159.11658	13.3
163.11182	73.1
169.10162	7.7
175.11159	7.5
181.12201	13.4
187.41031	4.2
189.12845	4.7
193.12236	19.5
195.13812	7.0
211.13254	27.9
223.13266	8.5
227.12779	100.0
239.09485	8.3
249.14876	5.4
255.15833	15.9
257.19138	5.2
257.21582	4.1
267.15891	16.3
269.17548	29.5
273.18500	11.5
275.20007	16.7
283.15378	61.5
285.17056	21.4
291.19519	77.7
349.23685	18.3
355.07037	11.3
365.23318	20.4
367.24899	5.9
463.26767	15.7
477.28418	59.5
557.34918	23.0
575.35651	22.2
610.44354	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92788	0.6
53.03945	1.7
55.01875	2.4
55.05267	1.2
55.05516	15.4
57.03443	3.8
57.07075	1.8
65.03949	1.9
67.05510	24.0
69.07070	13.6
69.81728	3.0
71.04994	1.9
77.03920	0.9
78.95822	0.7
79.05499	19.5
81.03431	1.7
81.07062	26.1
83.04976	1.4
83.08618	6.7
85.06555	1.5
91.05481	15.5
91.06030	1.2
92.05783	0.7
93.07047	18.8
95.04972	2.0
95.08611	22.5
97.06540	2.5
97.10162	4.1
99.08106	1.1
103.05500	0.6
105.07037	14.7
107.08603	11.0
109.06499	1.2
109.10168	11.4
111.08096	1.5
111.11749	1.0
115.05454	1.6
117.07008	9.1
117.07756	0.9
119.08590	15.0
120.45005	0.6
121.10158	8.2
123.08170	0.9
123.11745	2.6
125.09676	1.3
128.06239	3.7
129.07011	12.2
131.08569	13.0
131.09525	0.8
133.10143	10.7
133.11101	0.9
135.08119	0.7
135.11711	5.4
137.13316	1.3
141.06984	4.7
142.07823	2.6
143.08571	15.0
145.10126	14.6
147.11690	6.5
149.09636	0.8
149.13266	2.7
152.06250	0.6
153.07018	2.3
154.07793	1.9
155.08554	12.1
156.09380	2.7
157.10153	17.4
158.10783	0.7
159.11708	10.9
161.13235	3.7
163.14848	1.2
165.07123	0.9
166.07777	1.0
167.08582	6.2
168.09355	1.8
169.10135	14.5
170.10997	0.8
171.11707	13.1
173.13283	4.6
175.14877	2.4
179.08571	2.1
180.09344	1.0
181.10130	10.4
182.10965	1.4
183.11696	16.6
184.12447	0.6
185.13271	8.2
187.14821	4.0
189.16414	0.8
191.08604	0.8
193.10199	3.3
195.11732	9.8
196.12454	0.8
197.13249	12.4
199.14839	7.3
201.16475	2.3
205.10213	0.9
207.11771	2.8
208.12442	0.9
209.13268	8.8
211.14853	9.2
213.16513	3.6
213.49182	0.7
215.18050	0.9
219.11740	1.1
221.13313	2.8
222.13983	0.8
223.14821	6.7
225.16429	5.2
227.18051	4.5
233.13300	1.6
235.14879	2.0
237.16418	4.6
239.17973	4.1
247.14993	1.0
249.16388	2.3
251.18073	3.4
253.19673	1.7
255.17432	1.0
257.19046	0.9
261.16220	0.8
265.19565	2.0
267.21246	1.5
275.20349	0.9
277.19501	1.5
279.21118	1.2
281.22763	1.1
297.18851	0.7
297.22079	1.0
301.21835	0.8
305.22632	1.2
309.22125	1.3
315.23392	1.0
321.22073	1.4
323.23706	1.1
327.23065	0.8
335.23621	1.7
337.25302	1.6
341.24677	1.0
349.25391	1.7
351.26852	2.1
363.26917	1.8
365.28583	1.7
367.26416	0.7
377.28485	1.4
379.30136	1.7
381.28055	0.8
393.31970	1.5
395.29382	0.8
403.29587	0.8
405.31866	0.8
407.28989	1.1
415.30133	0.9
421.30945	0.9
431.28802	0.7
433.31219	1.1
435.32507	1.1
447.32559	1.7
449.34222	1.2
461.33829	0.7
475.35110	1.3
479.35605	0.9
499.39255	2.2
501.35754	1.2
511.37875	1.6
517.40405	14.6
535.41394	7.6
539.37323	1.6
553.42633	1.1
573.43036	3.0
591.44092	14.8
609.45142	100.0
610.45441	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	609.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01577	0.7
51.02357	1.4
53.03952	7.4
55.01879	10.7
55.05516	28.5
55.05761	1.0
57.03412	2.6
57.07044	2.8
59.04999	0.8
65.03939	6.5
67.05508	72.9
68.99789	1.0
69.03398	2.8
69.07075	39.9
71.04997	3.5
71.08622	1.0
71.23206	1.7
77.03916	1.9
79.05498	73.5
81.03430	8.3
81.07063	82.0
83.04569	0.9
83.04989	10.5
83.08630	9.4
85.06516	2.6
91.05486	83.2
93.07050	70.9
95.01333	11.8
95.04971	14.0
95.08614	48.6
97.06538	18.9
97.10157	3.7
99.08083	1.6
103.05444	3.1
105.04492	3.4
105.07037	91.8
107.04960	22.3
107.08602	30.6
109.06512	5.6
109.09492	0.9
109.10167	14.9
111.04454	1.1
111.08064	3.6
113.09622	1.6
115.05421	2.9
116.06221	0.8
117.07024	18.6
119.08588	49.7
121.06527	3.8
121.09323	1.3
121.10147	19.0
123.04424	2.6
123.08065	3.4
123.11742	3.5
125.09599	3.0
128.06210	1.4
129.07010	4.8
130.07787	2.2
131.08575	31.9
133.06499	1.5
133.10139	50.0
135.08098	4.3
135.11691	11.9
137.09610	2.5
139.07512	1.0
141.06973	2.0
143.08601	4.5
145.06448	2.9
145.10133	24.3
147.08052	1.4
147.11699	21.1
149.09612	7.0
149.13300	7.7
151.11118	2.0
155.08507	2.8
157.10167	4.7
159.11702	14.3
161.09647	1.5
161.13232	6.6
163.11151	4.5
163.14774	2.2
165.09152	1.8
169.10138	2.6
171.11670	3.6
173.13269	5.8
175.11243	1.6
175.14844	1.4
177.12764	4.1
179.14322	22.6
183.11673	3.3
185.13312	1.6
187.11172	3.5
187.14754	2.0
191.14331	1.0
195.13818	1.3
197.13280	3.3
201.12733	0.8
201.16406	1.2
205.12157	2.1
209.15408	1.0
211.14854	1.2
219.13724	0.9
219.17456	12.9
223.13220	1.0
229.19542	3.0
233.15358	0.9
239.17972	3.4
241.14333	1.0
247.17055	0.8
247.20616	3.2
257.19034	9.5
261.22180	2.6
275.20078	100.0
276.20514	1.8
293.21078	6.9
317.24887	1.2
331.22638	1.3
335.25787	2.1
349.23935	2.6
355.07272	0.9
402.53070	0.8
424.14417	0.9
427.16028	0.9
535.41602	0.8
609.45190	64.7
610.45227	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.7
53.00321	1.5
53.03947	7.6
53.04160	1.5
55.01875	7.5
55.05512	29.3
57.03435	4.5
57.07068	3.0
65.03934	4.9
67.05508	68.7
67.27824	1.0
67.96783	1.1
69.03428	2.0
69.07070	28.4
69.32471	9.6
71.04985	2.6
77.03952	1.2
79.05494	67.9
81.03411	4.1
81.07063	76.1
83.04985	6.6
83.08620	11.8
85.06532	3.7
91.05484	64.0
93.07047	63.3
93.07636	2.8
95.01327	4.4
95.04983	10.8
95.08611	52.3
97.06535	13.5
97.10158	5.7
98.19706	1.0
98.20738	2.3
99.04453	1.4
99.08080	3.3
103.05463	2.4
105.04545	3.0
105.07037	58.8
107.04970	7.6
107.07867	2.3
107.08603	35.8
108.09866	1.2
109.06541	5.9
109.10163	15.8
111.00269	1.3
111.08102	3.7
113.09655	1.4
115.05479	3.4
116.06293	1.8
117.07018	21.9
119.08585	38.3
121.06510	2.9
121.10145	25.3
121.11019	1.2
123.08074	4.6
123.11713	5.7
125.09648	1.6
128.06210	1.3
129.07030	11.3
130.07794	2.8
131.08574	30.7
133.06572	1.4
133.10135	34.9
135.08025	3.4
135.11705	15.3
137.09619	2.6
141.07030	4.6
142.07764	3.9
143.08565	12.0
144.09373	1.9
145.10135	31.6
147.08090	2.2
147.11676	19.5
149.09637	7.3
149.13321	6.3
151.11183	1.6
154.07802	1.5
155.08542	6.5
157.10138	12.7
159.11688	21.8
161.09619	2.7
161.13272	9.9
163.11192	4.0
163.14801	2.6
167.08542	2.8
168.09464	1.6
169.10086	9.5
171.11719	10.0
173.09697	1.5
173.13268	9.6
175.11235	2.8
175.14856	3.3
177.12840	3.2
179.14310	8.6
181.10085	2.5
183.11742	9.0
185.13287	4.9
187.11275	2.1
187.14838	2.8
191.14407	1.5
193.10172	1.2
195.11766	3.6
197.13333	8.1
199.14868	4.3
201.16473	1.7
207.11781	1.4
209.13313	3.6
211.14848	4.7
213.16487	2.1
215.18021	1.7
219.17416	11.0
223.14751	1.5
225.16417	1.9
227.17993	1.3
229.19623	3.4
237.16356	1.5
239.17949	6.4
241.19553	1.8
243.21078	1.5
247.20567	2.5
257.18997	18.2
259.20627	2.1
261.22275	3.2
275.20065	60.3
293.21228	4.1
331.22836	2.3
335.25897	7.9
349.23996	1.6
349.73645	1.2
365.28860	1.4
447.32675	1.4
461.20123	1.5
477.22559	1.7
510.07523	1.3
517.40356	4.4
535.41302	1.9
539.36737	1.3
549.24902	2.5
550.25891	1.5
553.42810	1.7
556.89648	1.3
577.24561	1.4
591.44220	3.5
609.27728	14.9
609.45154	100.0
610.26038	1.3
610.45697	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03944	2.0
55.01874	2.2
55.05514	14.7
57.03445	4.0
57.07084	2.3
57.74324	0.4
59.45347	0.5
60.24791	0.5
65.03941	1.9
67.05508	26.5
67.49996	0.4
68.67370	0.4
69.07073	14.3
71.04994	1.3
71.08628	0.6
78.63175	0.4
79.05499	20.3
81.03436	0.6
81.07060	26.5
83.04989	1.6
83.08624	6.3
85.06559	1.3
91.05482	16.9
93.07049	19.2
95.04958	1.4
95.08613	22.0
97.06538	2.2
97.10165	4.1
98.20706	0.8
99.08140	0.6
103.05483	0.7
105.04558	0.7
105.07036	16.8
107.04924	0.6
107.08596	11.7
109.06548	0.8
109.10160	9.7
111.08122	1.1
111.11746	0.7
111.93894	0.4
115.05460	1.8
116.06285	0.7
117.07028	9.3
119.08591	14.4
121.06544	0.6
121.10152	6.8
123.08077	1.2
123.11696	2.4
125.09661	1.9
128.06247	2.8
129.07018	11.7
130.07755	0.6
131.08572	15.6
133.10133	11.7
135.11678	4.7
137.13307	0.9
141.06975	6.3
142.07806	3.2
143.08575	15.4
143.09711	0.8
145.10136	16.3
147.11714	6.5
149.09673	1.2
149.13252	3.6
153.07024	2.0
154.07799	1.9
155.08557	14.5
156.09370	2.8
157.10143	14.9
158.11017	0.7
159.11696	10.4
161.13264	3.8
163.11275	0.6
163.14874	0.9
165.07013	1.7
166.07829	1.1
167.08559	6.2
168.09370	2.0
169.10136	16.0
170.10951	1.3
171.11696	13.3
173.13243	7.2
175.14839	2.6
177.16414	0.8
177.89948	0.5
179.08548	2.4
180.09390	1.1
181.10144	9.9
182.10889	2.2
183.10065	0.8
183.11702	16.2
184.12509	0.9
185.13251	9.0
187.14853	3.5
189.16388	1.0
191.08615	0.7
192.09357	0.9
193.10194	3.1
194.10936	0.9
195.11713	9.2
196.12437	0.9
197.13258	13.1
199.00443	0.4
199.14853	6.9
201.16429	1.7
203.17973	0.6
205.10133	0.7
207.11723	3.4
208.12479	1.3
209.13261	8.5
209.15140	0.8
210.14030	0.9
211.14836	7.5
213.14806	0.6
213.16443	4.1
215.18021	0.9
219.11815	1.2
221.13274	3.6
223.14832	6.5
224.15591	0.6
225.16382	5.1
227.18068	3.8
233.13312	1.3
235.14874	2.3
237.16373	4.7
237.18399	0.6
239.17992	4.1
241.15874	0.8
241.17725	0.8
241.19710	1.4
246.14131	0.5
247.15034	0.7
249.16490	1.9
251.18073	2.5
253.19537	1.7
255.21266	1.0
257.19077	1.6
259.20691	0.7
261.16431	0.6
263.18018	1.3
265.19531	1.7
267.21121	1.4
271.20416	0.7
273.56400	0.5
275.20169	2.0
277.19589	1.1
279.21127	1.2
281.22974	0.6
283.20724	0.9
285.22217	0.5
291.21091	0.7
295.20563	0.8
297.18701	0.6
297.22098	0.9
299.20184	0.6
305.22717	0.7
307.20560	0.9
307.24149	0.6
309.22098	1.1
311.20117	0.7
311.23752	1.1
313.21573	0.7
321.22177	1.3
323.23807	1.5
327.23331	0.7
331.22931	0.5
335.23596	0.7
337.25320	1.7
339.23239	0.7
339.27118	0.9
341.24637	0.8
345.25674	0.5
347.23767	0.6
349.25119	0.9
351.23148	0.6
351.26883	2.0
353.24744	0.9
355.26447	0.8
361.25513	0.7
363.26981	1.1
365.24399	0.8
365.28403	1.7
367.26340	0.7
375.26675	0.6
377.28476	1.3
379.30148	1.1
381.27530	0.7
383.29813	0.7
391.30051	1.3
393.27237	0.7
393.31787	1.1
395.29419	1.0
397.31290	0.6
403.29782	0.7
405.31931	1.1
407.29355	0.8
415.28915	0.7
421.30731	0.5
425.30685	0.6
429.31369	0.6
433.30887	1.1
435.32883	0.6
447.32617	1.5
449.34189	1.0
459.31506	0.6
461.34299	1.0
473.33005	0.7
475.35559	0.9
499.40063	2.2
513.36194	0.7
517.40497	13.9
521.25482	0.6
521.36359	0.9
535.41632	7.2
539.37585	1.1
541.38330	0.8
549.24316	0.6
553.42114	0.7
555.41937	1.1
573.43164	1.3
591.44135	14.1
609.25977	5.3
609.45154	100.0
610.45618	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	609.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.5
53.03943	4.7
55.01662	1.3
55.01879	13.8
55.05266	2.2
55.05514	28.7
57.03439	15.6
57.07077	2.7
59.04988	4.5
65.03941	4.3
67.05508	100.0
68.45940	1.2
69.03441	10.7
69.07075	17.1
70.45555	2.6
70.45947	3.2
71.01365	2.4
71.04985	10.1
73.02915	3.1
79.05499	42.8
79.05965	2.0
80.05815	1.4
80.48942	1.2
81.03423	61.9
81.06589	3.0
81.07059	57.9
81.61832	1.4
83.04984	16.4
83.08622	27.5
85.02906	24.8
85.06525	5.7
87.04437	2.1
91.05486	45.6
93.07047	34.6
93.37286	1.4
95.04981	23.7
95.08612	19.5
97.02883	4.3
97.06541	10.2
97.10159	6.1
97.10731	1.2
98.92896	1.3
99.04454	1.8
99.08073	2.7
100.86533	1.4
105.07035	31.1
107.04944	9.1
107.08597	18.4
108.91022	1.4
109.02858	2.1
109.06496	8.9
109.10162	53.6
111.04434	4.8
111.08086	12.1
113.05973	3.6
115.05465	2.3
117.07018	6.2
119.08584	26.1
121.06496	3.7
121.10143	11.6
123.08041	5.3
123.11716	4.1
125.09622	4.3
127.03937	2.4
129.05513	2.8
129.07036	9.1
131.08578	15.8
133.06535	2.6
133.10124	15.2
134.17917	1.4
135.08052	2.5
135.11691	5.9
136.06194	28.7
137.06500	5.0
137.09633	5.3
141.07063	1.5
142.07761	2.3
143.08519	4.4
145.10120	6.0
147.08044	5.0
147.11713	13.3
149.09584	6.3
149.13353	2.0
151.11194	5.6
153.12761	1.3
155.08559	1.9
155.10709	2.0
157.10123	10.9
158.05812	1.5
159.08087	1.7
159.11696	2.1
161.09547	2.6
163.07599	1.7
163.11171	3.3
165.12802	2.4
171.06508	3.1
171.11653	2.4
173.09587	1.4
173.11725	7.4
173.13123	1.8
175.11243	12.1
177.12671	1.7
181.12230	2.2
189.11137	1.5
193.12256	36.9
195.11656	1.3
209.11707	1.5
211.13318	37.9
227.12831	5.7
229.14325	4.7
255.15950	3.8
267.15930	5.9
269.17413	1.9
273.18530	6.1
283.15472	2.0
285.16956	2.4
291.19550	4.0
301.16516	3.3
339.17960	4.4
339.21698	1.5
347.22244	1.7
348.07077	5.1
349.07458	2.8
365.23373	3.7
421.25906	2.2
439.26935	73.0
440.27158	2.0
447.27060	1.5
465.28741	1.6
467.29877	4.3
527.60614	1.4
609.36334	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	3.3
53.03952	14.9
55.01874	10.1
55.05513	31.5
57.03439	16.6
57.07037	2.8
59.04995	3.7
65.03935	4.8
67.05506	68.3
67.06062	2.5
69.03147	1.9
69.03434	22.8
69.07072	18.4
69.36090	5.0
69.36499	9.6
71.01344	3.5
71.04986	14.5
73.02869	2.1
79.05496	68.9
81.03419	100.0
81.06599	3.1
81.07059	56.1
83.04990	26.4
83.08621	24.1
85.02897	20.6
85.06529	6.0
91.05486	53.9
93.06499	3.6
93.07049	57.5
95.04972	35.3
95.08611	19.0
95.33172	1.9
97.02900	15.2
97.06526	12.6
97.10191	14.1
99.04483	10.6
99.08084	2.8
105.04543	2.0
105.07047	35.3
107.04959	10.1
107.08598	36.5
109.02871	12.3
109.06517	9.8
109.10139	19.0
111.04451	16.1
111.08067	10.4
113.06012	2.0
115.05396	3.5
116.06233	2.0
117.07005	13.8
119.08588	27.8
121.06488	7.8
121.10159	17.8
123.04383	2.4
123.08024	4.4
123.11718	2.9
125.06018	2.9
125.09583	6.7
127.03909	11.5
128.06172	2.6
129.07024	12.8
131.08580	12.9
133.06482	6.5
133.10132	16.9
135.08028	6.4
135.11696	31.6
137.09619	4.6
141.07085	3.6
143.08525	4.6
145.06444	4.4
145.10141	11.8
147.08041	4.8
147.11681	14.1
149.09601	7.8
151.11192	4.5
153.12779	4.6
157.10153	10.1
161.09656	2.1
163.11160	13.8
165.12671	4.2
171.11746	2.4
173.09673	3.2
175.11230	11.6
177.12764	2.8
181.12231	12.4
188.40268	2.1
189.11156	2.8
191.10600	5.2
193.12241	35.2
209.11705	3.3
211.13287	55.1
227.12743	7.6
229.14409	2.4
235.13129	2.6
247.13335	2.4
253.14189	2.9
255.15889	7.5
267.15906	5.7
273.18420	2.9
283.15311	2.8
285.16931	5.6
289.14261	2.5
291.19342	4.0
322.29016	2.1
325.16412	4.5
337.16321	4.5
355.17480	7.0
355.22293	3.4
381.19092	5.4
411.20029	4.2
439.26871	7.3
447.27319	10.6
465.28513	14.0
542.48236	2.6
591.31683	4.4
609.32507	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	609.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.6
51.13920	1.5
52.79406	1.9
53.03945	12.8
55.01868	7.5
55.05510	32.7
57.03435	13.9
61.02924	4.5
65.03914	3.3
67.05510	67.9
69.03434	24.8
69.07069	18.6
69.15595	8.1
69.16019	8.0
71.01356	3.6
71.04993	11.4
73.02915	1.7
79.05499	49.7
80.05640	1.3
81.03423	100.0
81.07063	44.2
83.04977	22.0
83.08627	18.5
85.02906	16.9
85.06527	5.1
91.03938	2.1
91.05492	48.7
93.06481	3.4
93.07047	49.1
95.04971	25.3
95.08617	18.6
97.02885	17.4
97.06528	13.0
97.10182	11.5
99.04443	5.9
99.08094	4.3
101.02374	2.7
103.05463	2.0
104.17805	1.9
105.07035	25.8
107.04964	10.9
107.08610	37.0
109.02893	14.8
109.06539	7.5
109.10152	15.0
110.76779	1.6
111.04446	15.2
111.08095	8.6
113.06011	4.0
115.05453	2.4
117.07027	11.5
119.08591	20.7
121.06483	7.8
121.10132	16.2
123.04480	2.2
123.08057	4.7
123.11725	3.1
125.09641	6.2
127.03931	12.1
128.06247	3.5
129.05482	2.3
129.06984	13.9
131.04903	3.2
131.08580	12.5
133.06517	4.6
133.10150	15.5
135.08043	4.8
135.11697	30.8
137.09618	3.9
141.06978	2.3
143.08575	6.5
145.06488	5.7
145.10126	9.1
146.06262	1.9
147.04381	1.9
147.08066	5.4
147.11693	14.7
149.09636	6.6
151.11211	2.0
153.12706	3.2
155.08481	2.8
157.06721	1.7
157.10173	10.7
159.08058	3.5
159.11661	3.3
161.05956	1.6
163.11255	14.1
165.12811	4.5
169.10106	1.8
171.11668	2.2
173.09648	2.4
175.11229	8.0
180.13847	1.6
181.12245	12.7
183.11755	2.6
187.11255	1.9
189.11273	2.9
191.10718	3.7
193.12247	28.8
197.13380	1.9
209.11703	3.0
211.13295	45.5
213.12842	1.6
225.12794	2.1
227.12724	9.5
253.14359	2.8
255.15849	10.9
255.79062	1.6
261.14893	2.0
267.16049	6.8
273.14926	1.9
283.15378	2.7
285.17130	3.1
314.10007	1.7
315.37091	1.6
325.16455	5.7
335.18658	1.9
337.16510	4.1
337.21542	3.7
355.17593	9.8
355.22772	6.8
373.23886	3.3
381.19278	3.1
408.41461	1.7
408.76166	2.2
411.20285	5.0
421.25815	4.8
429.26474	6.7
447.27460	30.6
465.28574	15.5
555.29858	1.9
573.31085	3.3
591.31763	6.3
609.32684	72.0
610.33191	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	609.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.6
55.01873	10.3
55.05520	32.2
57.03445	17.0
57.07067	2.0
61.02922	3.2
65.03931	5.2
66.12489	2.0
67.05510	62.6
69.03432	21.3
69.07066	17.2
70.11404	9.3
71.01344	3.5
71.04997	11.4
77.10010	2.2
77.76801	2.1
79.05496	61.7
81.03425	100.0
81.07059	44.1
83.04989	25.7
83.08620	19.9
84.53321	2.2
85.02914	20.8
85.06549	4.0
91.05485	47.2
91.06023	3.4
93.07050	53.7
95.04973	30.6
95.08611	18.1
97.02914	21.8
97.06538	9.3
97.10166	11.9
98.21412	3.0
99.04471	7.7
99.08157	2.4
105.07037	31.9
107.04976	8.7
107.08604	32.6
109.02888	18.4
109.06548	8.7
109.10146	12.6
111.04453	18.3
111.08067	9.8
115.05479	4.0
117.07031	8.1
119.08599	21.8
121.06503	5.6
121.10136	13.3
123.04452	3.9
123.08094	5.2
123.11746	3.9
125.09668	5.0
127.03954	13.0
129.05521	2.8
129.07033	14.6
131.08539	12.4
133.06552	3.5
133.10138	12.5
135.08089	3.3
135.11691	32.2
135.85278	2.9
137.09647	4.2
143.08624	4.7
145.06587	2.5
145.10123	10.5
147.08098	3.8
147.11691	14.2
149.09650	6.2
151.11249	2.4
153.12787	6.3
155.08586	2.9
157.10118	11.4
161.09602	3.5
163.11177	13.5
165.12799	3.6
175.11145	10.1
181.12276	14.3
184.07509	2.4
191.10747	5.0
193.12247	28.4
211.13310	43.6
211.64574	2.3
215.14371	2.6
227.12859	6.7
229.14616	2.5
253.14436	3.1
254.00699	2.2
255.15988	12.0
267.16000	7.2
283.15561	2.6
285.16980	3.4
292.24072	2.6
325.16663	5.5
337.16812	2.8
355.17667	8.4
355.22772	2.4
381.19104	3.1
411.20178	3.8
429.26495	3.4
447.27454	18.9
465.28632	14.6
486.35880	2.1
555.29333	2.5
573.30975	2.6
591.32245	7.9
609.32758	78.9
613.25903	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.7
55.01862	7.2
55.05513	30.2
57.03431	12.4
57.07062	2.6
59.05009	2.9
63.71509	2.1
65.03930	4.0
67.05506	66.9
68.05853	2.5
69.03432	18.5
69.07073	17.7
71.01344	4.5
71.04985	9.5
71.51775	2.5
71.56958	2.2
79.05496	60.4
81.03419	100.0
81.07056	50.2
82.07396	2.6
83.04972	24.3
83.08620	20.3
85.02911	15.6
85.06538	5.2
87.87053	2.0
91.05483	48.1
93.07041	48.9
95.04970	25.8
95.08619	17.6
96.08882	2.2
97.02896	16.1
97.06540	10.4
97.10165	10.3
99.04450	4.1
99.08103	3.8
105.07032	28.8
107.04946	7.4
107.08592	36.1
109.02905	16.1
109.06496	8.3
109.10167	16.8
109.16051	2.1
111.04444	14.3
111.08085	9.5
113.05984	3.0
117.07005	11.3
119.08579	19.8
121.06522	4.3
121.10141	12.9
123.08046	4.5
123.11701	3.1
125.09657	6.6
127.03911	7.8
129.07008	8.5
131.08578	13.5
133.06404	2.9
133.10144	14.2
135.08086	4.1
135.11688	30.3
137.09630	4.6
141.07010	3.7
143.08626	2.6
145.10115	11.4
147.08043	4.1
147.11694	12.7
149.09636	6.1
149.13184	2.4
151.11172	5.6
153.12685	6.0
157.10141	13.0
159.11650	3.8
163.11197	12.8
167.07227	2.2
175.11185	6.9
181.12231	10.1
183.11685	3.0
191.10703	3.5
193.12247	27.0
209.11736	2.8
211.13286	45.3
211.15276	2.7
227.12816	8.8
253.14380	4.1
255.15901	8.2
267.15936	5.2
325.16428	4.2
337.16699	5.1
355.17542	9.5
355.22479	3.1
411.20111	3.7
439.27011	2.7
447.27487	7.1
465.28540	9.4
591.31567	2.7
609.32654	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2713
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
53.03963	1.1
55.01865	1.4
55.05516	3.9
57.03426	0.9
62.05627	0.4
65.03928	0.9
67.05509	10.9
69.07072	4.0
69.21890	1.0
69.22295	3.2
71.04994	0.8
71.08637	0.9
79.05502	9.2
81.03420	0.7
81.07052	8.8
83.08615	2.0
85.06541	0.8
91.05487	7.9
93.07053	9.8
95.04974	1.7
95.08617	6.0
97.06528	2.2
97.10184	1.4
99.08078	0.7
105.04552	0.4
105.07039	6.3
107.04961	0.7
107.08607	5.3
109.06561	0.5
109.10161	3.5
111.08070	0.5
111.45850	0.4
113.09661	0.5
117.07021	2.5
119.08583	4.1
121.06610	0.5
121.10170	3.2
123.08088	0.8
123.11774	0.7
125.09638	0.4
128.06250	0.7
129.07034	1.3
131.08585	5.2
133.10129	4.3
135.08151	0.4
135.11691	1.8
137.09668	0.5
137.13260	0.6
141.06993	0.6
142.07738	0.4
143.08557	2.4
145.10126	5.7
147.11725	1.7
149.09610	1.7
149.13271	1.1
155.08542	1.3
157.10175	1.4
157.39030	0.4
159.11668	2.4
161.13271	1.0
163.11241	1.6
167.85104	0.4
169.10153	1.7
171.11594	2.1
173.13307	1.4
175.14883	0.5
179.14331	1.7
181.10109	0.8
183.11732	1.7
185.13321	0.9
193.12294	0.5
195.11681	0.6
197.13332	0.9
199.14909	0.7
207.11684	0.5
209.13353	0.9
211.14857	0.9
218.08888	0.6
234.41396	0.4
239.18022	0.5
244.88675	0.4
257.19089	1.7
261.22260	0.6
275.20065	5.6
277.21536	0.7
293.21121	0.9
331.22931	0.8
335.26016	1.3
377.17636	0.6
389.17310	0.7
390.18652	0.5
391.18927	0.9
399.15970	0.5
402.18576	0.7
403.19431	2.0
404.19965	1.4
405.20892	1.9
406.21240	0.5
407.22165	1.0
409.24695	0.4
416.20200	0.9
417.16461	0.9
417.20947	1.6
418.17395	0.9
419.17419	0.7
419.22742	3.1
420.23358	0.9
421.23773	0.6
429.16690	0.9
430.18048	1.4
431.18787	2.4
432.19003	2.0
433.20172	6.8
434.20786	0.9
435.21777	0.9
443.18433	1.0
444.19556	1.7
445.19998	4.6
446.20996	2.5
447.22006	4.1
447.71408	0.5
448.22498	2.0
449.22708	1.3
458.20923	4.6
459.21805	3.5
460.22897	2.6
460.69662	0.4
461.19406	0.6
463.20822	2.5
465.23026	0.5
473.23624	1.3
475.20911	1.0
476.22116	1.9
477.22144	0.9
487.24731	0.5
489.18652	0.7
490.23676	1.1
491.20709	0.7
503.20410	0.5
505.22385	0.9
517.40601	1.2
518.23077	3.0
519.23926	7.9
520.24304	1.2
521.25098	3.8
531.23755	1.1
532.24506	0.7
533.25006	0.5
535.41321	0.7
549.24707	8.0
581.26611	1.1
591.26013	9.2
591.43500	1.0
609.26953	100.0
609.44080	14.3
610.27258	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
50.28842	0.5
55.05505	1.9
64.08270	0.5
65.03916	0.6
67.05507	4.1
69.07069	1.7
69.25604	3.3
69.26020	1.4
74.06935	0.6
79.05488	3.5
81.07053	3.5
84.08220	0.6
91.05491	3.0
93.07053	3.8
95.08626	3.1
105.07034	3.0
106.76300	0.6
107.08578	2.1
109.10162	1.1
117.07034	1.8
119.08578	2.0
121.10172	1.2
129.07037	1.0
131.08606	1.9
133.10162	1.9
135.11745	0.9
137.07774	0.6
141.06998	0.9
143.08629	0.6
144.41934	0.7
145.10150	2.5
147.11705	1.2
154.62753	0.6
159.11755	1.2
161.13197	0.7
171.11746	0.7
229.19568	0.6
244.24796	0.6
257.19131	1.6
275.20105	1.6
374.16260	0.6
377.17853	1.3
388.18011	0.7
390.18729	0.8
391.19205	2.4
392.20218	1.7
400.17160	0.9
401.17755	1.0
402.18716	0.6
403.19330	0.6
404.20599	1.3
405.20819	4.6
406.21600	2.1
407.22321	3.9
414.18903	0.8
415.19211	2.2
416.20047	0.8
417.20993	1.1
419.18384	1.3
419.23163	0.8
421.23993	4.8
422.24722	0.8
428.20337	0.7
429.20920	3.7
430.22241	1.4
431.18494	1.2
432.19049	0.7
433.20151	1.3
433.24918	1.1
435.21765	0.8
442.21408	1.2
443.22595	1.1
444.23157	1.8
445.20782	0.8
447.17337	3.0
449.23691	0.9
457.24112	1.7
459.22217	3.0
460.22574	1.9
461.18851	4.8
462.20609	1.9
472.23010	1.2
474.20340	1.1
475.21176	8.0
476.21869	6.2
477.22458	5.1
478.23721	1.0
479.24521	0.8
485.23596	9.2
486.20258	3.6
487.25363	0.8
488.22131	1.3
489.22830	4.9
494.26694	0.8
499.21246	3.0
500.22131	1.9
502.23645	1.1
503.24481	5.0
504.24734	1.0
513.22601	1.1
515.24561	7.4
517.22913	0.8
521.26147	3.2
531.23950	13.4
535.23425	1.1
548.24896	0.7
549.24835	3.5
550.25952	4.1
559.23505	7.1
577.24432	0.9
591.26038	33.2
592.25916	0.8
609.27081	100.0
609.44916	5.7
610.27417	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1818
Annotation	Diosmin 
Peak:m/z	Relative Intensity
57.03428	1.4
69.03428	0.8
69.79010	2.1
71.05005	7.9
73.02909	0.4
81.03426	0.6
83.04962	0.6
85.02914	11.6
97.02892	1.1
98.20910	0.6
107.04941	0.7
121.02879	1.4
127.03910	0.5
129.05457	1.9
145.05035	0.4
151.03925	0.5
153.01834	0.9
165.07745	0.4
167.03401	2.2
179.03365	0.9
199.07742	0.4
227.07091	1.0
255.06540	0.5
258.05231	4.0
272.06619	0.5
286.04755	3.1
301.07095	100.0
302.07492	1.7
332.57623	0.5
364.04642	0.4
371.51239	0.4
424.33856	0.4
503.84027	0.4
629.12463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19479	0.4
55.05510	0.8
55.54235	0.3
57.03436	1.2
61.02921	1.7
61.31403	0.3
62.95343	0.4
67.05491	0.6
69.03420	0.7
69.29270	0.8
69.29668	2.9
70.06585	0.5
71.04999	6.8
73.02921	0.7
75.04469	0.5
79.05510	0.4
81.03401	0.7
81.07067	1.0
83.04972	0.9
85.02912	10.1
86.09699	0.4
87.04457	0.4
91.03962	0.7
91.05479	0.5
93.07022	0.6
95.04938	0.7
97.02882	1.1
98.20747	0.9
105.07052	0.7
107.04956	1.2
107.08627	0.7
108.26723	0.4
109.10146	0.7
116.51842	0.4
119.08644	0.4
121.02853	1.6
121.10192	0.4
125.02305	0.4
127.03899	0.6
129.05490	1.5
135.11728	0.4
145.10022	0.4
151.03996	0.6
153.01837	7.4
153.03008	0.8
167.03474	2.1
177.05487	0.7
179.03409	1.0
197.04417	0.5
239.07130	0.4
257.04517	0.5
258.05264	3.4
286.04739	3.6
301.07083	100.0
302.07562	1.8
305.03043	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17799	0.4
53.03943	0.7
55.01878	0.7
55.05521	2.2
57.01936	0.4
59.90342	0.3
65.03952	0.5
67.05508	4.8
69.07074	2.6
79.05502	4.1
81.07062	5.0
83.04960	0.4
83.08630	0.6
91.05488	4.5
93.07060	3.9
95.04964	1.0
95.08609	3.5
97.06537	1.2
105.07032	3.5
107.08601	2.6
109.10175	1.9
115.05476	0.4
117.07028	1.6
117.90025	0.3
119.08593	2.0
121.06530	0.5
121.10178	1.6
129.07011	1.0
131.08560	2.3
133.10112	2.1
135.11723	0.8
143.08578	1.2
143.10428	0.3
145.10117	3.1
147.11732	0.8
149.09621	1.0
149.13293	0.5
155.08574	0.8
157.10219	1.4
159.11751	1.1
163.11159	0.7
167.08542	0.4
169.10175	1.0
171.11774	1.3
173.13345	0.9
175.44972	0.4
179.14346	0.5
181.10086	0.6
183.11694	0.7
185.13211	0.4
187.14880	0.5
195.11769	0.6
197.13313	0.8
199.14833	0.6
209.10710	0.5
209.13351	0.4
211.14944	0.5
221.13150	0.4
223.12138	0.6
237.13860	0.6
239.15565	0.4
239.17970	0.5
241.19717	0.4
257.19058	1.0
275.20038	1.9
283.73041	0.4
331.22537	0.7
335.26151	0.5
375.16516	0.6
376.17218	0.8
377.17731	0.9
378.18454	0.6
389.18588	1.1
390.13605	0.4
390.18698	1.0
391.19241	2.3
392.19968	1.1
393.20789	0.5
400.16833	0.4
401.17908	0.5
403.19531	1.0
404.20795	0.7
405.16571	0.3
405.21030	2.6
406.21515	2.0
407.22510	2.1
413.17749	0.6
414.18555	1.0
415.19232	1.4
417.21365	0.8
419.17972	0.7
419.22565	1.4
420.23151	0.9
421.23917	4.0
427.19379	0.8
429.20654	1.4
430.21707	1.6
431.18634	1.3
432.19580	0.6
433.20514	1.0
433.24985	0.7
442.21646	0.4
444.23279	0.8
445.20154	1.6
446.21262	0.6
447.17200	2.0
449.23627	0.5
452.21991	0.7
457.24640	1.9
459.21921	1.5
460.23410	1.7
461.19226	4.8
462.20319	2.0
463.21512	1.4
471.18286	0.5
472.22546	1.3
473.19711	0.5
474.20679	1.2
475.21033	6.7
476.21848	6.0
477.22287	4.2
478.23477	0.6
479.24606	0.6
485.23465	5.6
486.20349	3.0
487.20895	0.4
487.25333	0.6
488.21857	1.8
489.22894	4.2
493.22409	0.8
494.27100	0.5
497.23715	0.5
499.21420	3.3
500.22110	1.4
502.23767	0.6
503.24579	7.5
504.25958	0.5
505.22287	0.7
507.24313	0.6
511.37997	0.8
513.23230	0.9
515.24689	5.0
517.22351	1.5
517.40234	1.0
518.23090	0.4
521.26105	2.1
531.23950	7.6
535.23553	0.8
541.22815	0.5
549.24805	2.2
550.25702	3.5
559.23413	5.1
563.26593	1.3
577.24493	2.3
591.26044	15.5
591.44501	0.5
609.27112	100.0
609.45007	9.4
610.27795	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	607.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20048	0.4
52.08411	0.4
53.03954	0.4
55.05521	2.1
57.03429	0.6
57.07083	3.4
65.93588	0.4
67.05513	5.7
69.07068	1.9
69.27624	0.4
71.08642	4.7
74.41383	0.4
79.05507	4.1
81.03411	0.7
81.07061	7.3
81.29607	0.4
83.04996	0.7
83.08627	1.6
85.10180	1.7
89.57909	0.4
91.05478	3.6
93.07055	6.8
95.04970	1.0
95.08617	5.3
97.06488	0.6
97.10184	1.0
99.08116	2.1
105.07029	2.4
107.08592	3.2
109.10205	2.3
111.08109	0.6
117.07035	1.0
119.08598	1.4
121.10148	1.9
131.08609	0.9
131.21632	0.5
133.10159	1.5
135.11674	3.1
145.10194	1.1
147.11685	0.5
149.09631	0.5
149.13292	1.0
151.11208	1.6
159.11696	0.5
161.13322	0.6
163.11247	0.6
167.10568	0.5
179.14322	10.1
195.13843	0.6
235.16980	0.6
250.62703	0.4
275.20038	0.6
277.21649	6.5
306.56226	0.4
313.27298	5.0
313.30737	0.5
351.25250	2.8
355.67783	0.4
383.14423	0.5
401.17294	0.5
402.18323	0.7
403.18695	0.9
415.18945	1.7
416.19672	2.4
417.20029	2.9
418.21024	1.3
428.19955	0.6
429.20670	2.3
430.21094	4.0
431.21783	6.0
432.22610	2.8
433.23380	0.9
443.22205	1.0
444.22675	1.9
445.23825	4.3
446.24442	4.9
447.24631	1.9
458.20407	1.0
459.20218	0.8
459.25177	1.9
460.20844	0.7
460.25632	2.1
461.22165	1.6
461.26675	1.5
472.22278	0.7
473.23071	1.8
474.23535	4.4
475.24158	4.4
476.24915	1.4
477.22256	0.6
486.23694	1.2
487.24557	4.7
488.25473	4.7
489.25647	15.9
490.26654	0.5
491.23718	1.1
503.24301	0.6
505.24957	2.4
507.40900	0.5
519.27106	2.5
545.25256	1.3
546.25623	1.3
547.26208	15.9
548.26758	3.7
575.25525	1.4
579.28906	0.6
589.48425	9.0
607.28259	100.0
608.28668	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	607.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35009	0.6
53.03943	2.1
53.31535	0.6
55.01865	3.2
55.05270	1.1
55.05515	15.7
57.03432	3.1
57.07079	1.8
59.04998	0.8
65.03936	1.7
65.18789	0.7
67.05508	29.6
69.03436	1.6
69.07073	13.5
69.30707	5.4
71.05000	2.0
71.08611	0.9
79.05499	21.1
79.05969	1.1
81.02990	0.7
81.03420	3.4
81.07063	28.8
82.07388	0.8
83.04987	2.7
83.08620	7.5
85.02885	0.7
85.06551	2.1
85.10161	0.7
91.05484	19.6
93.06481	1.2
93.07054	20.9
95.04948	3.5
95.08612	20.5
97.02921	0.8
97.06515	3.7
97.10191	2.9
99.04466	0.8
99.08105	1.5
105.04505	1.0
105.07037	19.4
107.04983	2.0
107.08604	12.5
107.73635	0.8
109.06543	1.5
109.10159	7.3
111.08121	1.7
113.09649	0.7
115.05468	1.8
117.07027	10.0
119.08588	15.4
121.06503	1.6
121.10147	8.4
123.08099	1.9
123.11720	2.3
125.09638	2.0
128.06235	3.1
129.07004	9.7
130.07829	0.8
131.08588	13.5
133.06509	0.8
133.10132	9.6
135.08075	0.9
135.11688	4.2
137.09619	1.1
139.11288	0.7
140.10289	0.7
141.06982	6.5
142.07779	2.9
143.08566	11.8
144.09395	1.1
145.10141	12.4
147.11674	6.5
149.09630	1.3
149.13268	2.2
151.11205	0.9
153.07011	2.3
154.07791	1.6
155.08574	13.1
156.09357	1.3
157.08965	1.0
157.10159	12.3
159.11665	8.3
161.09644	1.2
161.13304	2.7
163.11188	1.3
163.14836	0.8
165.07050	2.6
166.07776	1.6
167.08595	8.8
168.09355	2.3
169.10162	15.4
171.08031	0.8
171.11697	9.1
173.04446	0.7
173.13272	5.9
175.11298	0.9
175.14894	1.1
177.12776	0.9
178.07912	1.1
179.08571	5.3
179.14476	1.0
180.09389	2.1
181.10124	11.8
182.10938	1.7
183.11707	11.7
185.09459	0.8
185.13225	5.2
187.14896	2.1
189.16441	0.7
191.08569	1.3
192.09401	1.4
193.10181	8.4
193.11952	1.3
194.10881	1.8
195.11725	13.4
195.13495	1.3
196.12474	1.4
197.13278	9.6
199.11287	0.7
199.14856	3.0
201.16429	1.1
205.10223	2.1
206.10974	1.1
207.11783	6.6
207.13640	1.2
208.12413	1.2
209.13310	9.6
210.13866	0.9
211.14807	6.6
213.16458	1.6
215.14267	1.0
215.17940	1.0
217.10204	1.1
218.10931	0.9
219.11790	2.5
220.12465	1.0
221.13307	5.9
223.14845	7.4
225.16405	4.7
227.18050	1.2
233.13315	2.6
235.14854	3.3
237.16426	5.6
239.17952	4.3
241.19749	0.9
245.13431	0.8
247.14836	1.8
247.17099	1.0
249.16391	3.6
251.17978	4.0
253.19881	1.1
257.19019	0.8
259.20618	1.5
261.16388	1.3
263.18033	2.0
265.19574	1.9
273.16266	1.0
275.17487	1.1
275.20279	3.3
279.21063	1.2
281.18951	1.0
289.19531	1.3
291.17520	0.8
291.21011	0.9
295.20538	1.0
307.20709	1.4
309.22113	1.2
319.20673	1.0
321.22195	1.5
323.23575	1.0
324.69092	0.9
327.23337	0.8
333.22156	1.1
335.23633	1.7
339.23242	1.2
347.23575	1.5
349.25116	1.3
359.23615	0.9
361.25082	1.0
363.26926	2.0
365.24649	1.6
367.26431	1.0
375.26855	0.8
377.28607	1.9
379.26218	0.8
389.28497	1.8
391.30020	1.3
395.29590	1.0
403.26260	1.1
407.29727	1.3
435.32635	0.9
445.30914	1.4
447.32376	1.1
497.38034	1.6
515.38794	12.1
525.35352	0.7
533.40131	7.5
537.36023	1.2
538.36700	1.8
539.37231	1.3
551.41443	3.9
571.41492	1.1
589.42438	6.5
607.43585	100.0
608.44080	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	607.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.6
55.01870	6.6
55.05516	28.3
57.03432	7.9
57.07079	2.1
65.03944	4.3
66.91548	1.8
67.05510	87.7
69.03433	20.1
69.07072	27.5
71.04996	7.9
79.05496	56.4
81.02929	2.5
81.03420	67.7
81.07061	100.0
83.04983	16.6
83.08625	17.1
85.02917	7.3
85.06557	6.1
91.05482	45.6
93.07049	73.3
93.07645	4.0
95.04964	10.5
95.08612	35.3
97.02903	12.9
97.06543	16.0
97.10171	3.1
98.20798	4.9
99.04472	7.4
99.08094	5.1
105.04516	2.3
105.07033	33.0
105.07690	2.7
106.33223	1.6
107.04962	4.8
107.08600	36.8
109.02891	14.3
109.06513	4.7
109.10149	9.8
111.04417	9.1
111.08117	8.1
113.05995	1.8
115.05521	2.6
117.07025	15.5
119.08575	16.8
121.06539	5.6
121.10156	17.2
123.08098	3.1
123.11710	4.0
125.09642	2.8
127.03914	8.2
128.06250	2.7
129.07048	7.5
131.08574	17.7
133.06509	4.4
133.10129	15.5
135.04477	2.4
135.08109	5.1
135.11674	16.1
143.08607	7.0
145.06465	4.1
145.10132	10.9
147.08089	3.3
147.11699	15.1
149.05956	1.8
149.09587	2.0
149.13254	26.7
151.11238	2.4
154.08597	1.9
155.08623	4.1
157.10191	7.2
159.11716	16.1
161.09674	2.3
161.13292	2.5
163.11223	5.1
165.12820	5.7
167.08646	2.7
169.10228	4.1
171.11771	5.7
173.04448	2.8
173.09637	2.9
173.13408	2.8
175.11238	2.1
177.12801	7.5
181.10136	3.2
181.12334	1.9
183.06572	3.5
183.11737	3.7
185.13199	2.9
187.11235	2.5
195.12099	3.4
195.13818	16.7
201.07581	1.9
211.14999	2.4
213.14885	3.1
219.13948	2.3
221.15475	1.9
227.12811	5.9
229.65166	2.4
249.14891	2.0
257.15448	2.1
267.16061	5.4
269.17490	9.0
275.16476	2.7
275.20267	2.0
297.17029	3.8
303.12454	1.7
303.15985	4.6
321.17175	6.9
337.16464	2.0
339.17996	12.9
353.25003	2.2
377.19830	5.8
394.58612	1.9
395.20685	13.4
437.25778	5.2
445.29565	6.1
463.30521	16.2
468.90997	1.9
503.33600	1.8
589.33679	7.9
607.34833	99.5
607.43689	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	607.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44683	1.5
50.61822	1.6
52.79063	1.2
53.03951	11.0
55.01860	5.1
55.05512	30.3
57.03436	9.3
57.07064	2.2
65.03925	5.5
66.32813	1.1
66.98722	1.2
67.05508	82.7
69.03441	18.8
69.07072	25.6
71.01365	1.7
71.04993	8.6
71.08618	1.2
73.20767	1.2
75.39876	1.2
77.03909	2.8
79.05495	58.0
81.02929	2.4
81.03422	73.9
81.07059	100.0
81.64532	1.2
83.04990	16.7
83.08624	21.5
85.02901	7.4
85.06528	5.8
91.05485	52.6
93.07049	65.5
95.04966	13.0
95.08614	36.8
95.17990	1.4
95.27857	1.2
97.02891	11.5
97.06542	15.9
97.10155	2.8
98.20669	2.6
99.04437	6.0
99.08084	4.1
103.03957	1.7
103.05505	1.9
105.04520	2.2
105.07034	35.0
106.77325	1.4
107.04974	7.9
107.08600	37.5
109.02885	20.8
109.06516	6.0
109.10160	8.6
111.04467	6.7
111.08073	6.8
115.05432	2.9
117.07030	19.1
119.04908	1.6
119.08585	21.2
121.06528	6.4
121.10149	23.7
123.04508	2.0
123.08036	3.7
123.11722	8.9
125.09653	2.7
127.03901	10.9
128.06212	1.5
129.07011	10.3
130.07761	1.6
131.04927	2.4
131.08578	22.6
133.06477	4.0
133.10152	20.0
133.69856	1.3
135.08047	6.2
135.11699	12.4
141.06984	5.6
142.07762	1.5
143.08542	10.1
145.06441	4.3
145.10124	8.5
147.08025	4.0
147.11684	18.0
149.09637	3.7
149.13268	31.6
150.88440	1.4
151.11171	1.4
153.07018	2.8
154.07729	1.5
155.08530	5.9
157.06493	1.8
157.10135	7.4
159.08023	2.3
159.11703	17.0
161.13289	2.8
163.11182	3.6
164.94432	1.4
165.07065	2.0
165.12750	4.7
167.07266	1.5
167.08606	5.1
168.09355	1.8
169.10202	6.7
171.11668	6.2
173.04448	2.3
173.13245	3.2
175.11130	2.3
177.12756	10.9
179.08612	2.2
181.10127	5.7
183.06564	3.5
183.11682	5.6
185.13217	4.5
187.14767	1.6
189.12708	1.5
193.10129	3.2
193.12202	2.6
195.11699	4.8
195.13800	17.7
197.13232	4.8
199.14757	3.3
201.12639	1.6
207.11737	2.9
207.13744	1.6
209.13287	4.5
211.14787	3.4
213.14798	3.9
219.11797	1.5
219.13751	2.6
221.13313	3.3
223.14827	1.7
231.13748	2.2
233.13274	3.0
233.15265	2.9
239.14188	1.6
257.15363	1.8
261.14804	3.6
267.15854	8.6
269.17468	17.2
273.14932	1.5
275.16400	3.8
285.14557	2.8
285.17300	2.3
291.19727	1.8
293.17551	2.1
297.16840	1.8
303.15924	4.0
313.75119	1.5
321.16968	5.9
339.18100	11.0
371.25717	2.6
377.19482	2.7
395.20679	11.7
445.29434	5.8
463.30594	16.6
494.27658	1.9
515.38739	4.5
529.31116	2.6
533.39679	3.0
571.32562	2.9
589.33850	7.6
589.41895	2.6
607.34424	94.9
607.43469	34.1
608.35272	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	607.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02348	1.4
53.03942	8.9
55.01873	19.0
55.05266	2.5
55.05510	31.1
57.03433	11.0
57.07074	3.3
58.82850	1.6
59.04995	4.9
65.03937	6.7
67.05508	100.0
69.03427	11.4
69.07069	30.6
71.04991	10.9
71.51675	1.7
71.52082	2.0
79.05495	56.0
81.02937	2.1
81.03421	57.3
81.07056	81.5
83.04987	17.6
83.08621	20.2
85.02880	4.2
85.06545	7.1
87.04482	2.4
91.05482	50.3
93.07048	62.6
95.04964	19.2
95.08614	32.0
97.02898	7.6
97.06535	20.8
97.10169	5.0
99.04452	5.4
99.08079	4.4
103.05499	2.4
105.07035	36.2
107.04960	11.7
107.08602	32.7
109.02872	9.6
109.06521	7.7
109.10157	35.2
111.04436	6.5
111.05120	1.7
111.08094	7.0
113.06029	1.8
115.05488	2.1
117.07013	14.2
119.08582	23.6
121.06499	8.5
121.10147	23.7
123.04476	1.8
123.08078	6.1
123.11719	6.5
125.09646	4.9
127.03938	6.2
128.06212	2.6
129.07002	7.3
131.04948	2.6
131.08572	21.5
133.06503	4.6
133.10129	15.7
133.80525	2.0
135.08061	4.9
135.11684	17.3
137.09615	7.2
141.06944	3.6
143.08562	6.6
145.06493	4.0
145.10106	15.4
147.08061	3.8
147.11668	15.8
149.09616	9.6
149.13272	13.3
151.11195	4.2
153.09085	2.1
155.08562	4.7
155.10687	3.3
157.06453	2.9
157.10150	5.2
159.08032	4.1
159.11711	12.8
161.09587	4.1
161.13263	3.0
163.11211	12.0
165.12761	4.2
167.08601	3.2
169.10118	2.6
171.11646	4.1
173.04492	2.5
173.09642	4.9
173.11758	4.8
173.13185	1.9
175.11223	4.8
177.12801	5.6
181.10077	2.0
181.12234	3.0
183.11696	2.0
185.13274	4.3
187.11160	2.7
189.11131	2.2
191.10651	4.3
193.12193	11.1
195.11993	2.0
195.13823	11.3
199.13295	3.5
211.13298	7.0
213.12860	2.0
213.14828	3.7
214.60185	1.9
221.13304	2.0
225.14876	3.2
227.12714	9.6
229.14316	12.8
233.15601	2.0
259.15387	3.0
265.50613	1.9
267.15945	11.6
269.17584	8.1
275.20126	7.0
291.19626	5.1
311.19852	2.2
315.18082	2.2
321.16983	2.1
329.21213	6.1
339.17999	5.7
349.23663	3.4
389.55954	1.8
395.20557	3.7
421.25854	12.0
427.26505	3.6
435.27478	2.6
445.29269	4.6
462.18063	1.9
463.30478	5.6
557.35358	3.8
571.32941	2.0
589.35980	2.7
607.34821	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	1.5
52.41957	1.5
53.03952	11.3
55.01883	10.9
55.05277	2.3
55.05516	32.6
55.10465	1.6
57.03441	7.1
57.07077	4.9
59.05021	2.1
65.03937	6.1
67.05509	89.2
69.03438	21.7
69.06728	2.2
69.07076	28.8
70.46057	1.5
70.83003	4.4
71.05003	11.8
72.36642	1.6
73.02921	2.4
79.05501	66.9
81.03426	79.3
81.07063	99.5
83.01358	1.7
83.04990	19.0
83.08627	22.0
85.02899	8.8
85.06538	5.0
91.05489	54.2
93.07052	63.9
95.04977	16.6
95.08611	34.3
97.02896	15.5
97.06535	15.5
97.10198	3.3
99.04467	6.0
99.08096	4.9
103.05474	2.1
105.04509	1.8
105.07040	29.9
107.04991	8.9
107.08606	36.5
109.02880	13.4
109.06535	6.9
109.10162	17.9
111.04435	9.6
111.08070	5.2
113.05993	2.5
115.05467	2.0
117.07032	15.8
119.08599	16.0
121.06542	8.0
121.07269	1.5
121.10148	20.9
123.08062	3.7
123.11719	6.2
125.09630	4.1
127.03930	8.9
127.07598	1.9
128.06213	1.9
129.07014	7.8
131.04953	2.3
131.08588	21.0
133.06526	4.7
133.10136	18.6
135.04401	2.3
135.08044	3.8
135.11702	13.6
137.09619	2.3
141.07036	2.5
143.08583	5.4
145.06493	3.3
145.10107	8.8
147.08076	3.3
147.11703	15.5
149.09628	6.3
149.13257	26.7
155.08566	3.7
157.06514	2.7
157.10176	5.7
159.08046	2.9
159.11707	14.6
161.05991	1.8
161.09718	3.5
161.13284	2.9
163.11220	4.7
165.12802	5.4
169.10107	1.7
171.11774	3.9
173.04532	4.6
173.09637	2.7
173.11879	2.1
173.13318	3.0
175.11256	5.1
177.12761	8.7
179.14395	1.9
183.06546	2.2
183.11613	2.4
184.73412	1.3
185.53452	1.5
189.12718	1.5
193.12297	2.8
195.13814	19.3
201.12868	2.4
211.13275	2.2
213.13046	2.3
213.14941	5.9
227.12863	4.2
229.14307	3.5
233.15367	3.5
237.14943	2.1
251.16476	1.7
261.14728	1.9
267.16031	6.0
269.17508	14.8
275.16379	2.1
275.20193	3.8
285.17111	2.0
303.15918	3.6
321.17035	7.1
325.84583	1.6
339.18060	14.4
353.24710	1.7
377.19568	3.2
395.20715	13.4
412.51855	1.6
445.29541	5.5
463.30582	10.6
589.34174	4.9
607.34857	100.0
608.35388	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11980	1.6
51.02382	1.6
52.76196	1.4
53.03942	9.3
55.01868	7.1
55.05516	27.2
57.03438	7.7
57.07062	3.6
64.17833	1.6
65.03939	3.2
67.05507	79.4
69.03436	16.3
69.07064	23.9
70.17687	5.2
71.04994	7.7
76.11317	1.6
77.03944	2.0
79.05495	55.1
81.03421	63.0
81.07059	100.0
83.04999	17.4
83.08624	15.2
85.02899	10.1
85.06544	5.8
91.05486	44.5
91.06024	3.6
93.06478	3.7
93.07053	59.1
93.07640	3.6
95.04973	12.7
95.08613	31.4
97.02890	11.6
97.06534	12.5
97.10175	2.2
99.04465	6.9
99.08089	3.1
105.04507	3.0
105.07042	29.4
107.04965	5.4
107.08603	31.6
109.02871	18.6
109.06528	7.2
109.10162	7.5
111.04448	8.7
111.08091	5.5
113.96508	1.6
115.05556	2.3
117.07014	15.0
119.04952	1.9
119.08575	16.5
121.06525	6.5
121.10147	21.1
123.04451	2.6
123.08139	2.2
123.11717	6.0
125.09649	3.4
127.03921	8.2
128.06183	1.9
129.07037	7.6
131.04988	2.5
131.08575	20.9
133.06503	4.3
133.10132	16.2
135.04439	2.1
135.08086	4.2
135.11707	13.2
139.11203	2.2
141.06975	2.8
143.08620	3.4
145.06505	5.3
145.10127	6.7
147.11674	15.6
149.09694	2.1
149.13248	20.8
155.08582	4.6
157.10155	6.1
159.11694	14.3
161.13191	2.1
163.11243	2.1
165.12781	6.1
167.08569	2.4
169.10164	3.2
171.11755	3.8
173.04488	3.4
175.11224	3.0
177.12727	10.9
181.10156	3.3
183.11714	4.5
193.10046	1.6
195.12013	3.2
195.13814	16.6
213.14841	2.9
249.15018	2.5
261.14917	3.8
267.15845	6.2
269.17514	16.1
275.16339	2.1
293.17642	2.9
297.17078	3.1
303.15887	3.0
321.17175	5.6
339.17966	11.1
377.19836	2.4
395.20789	8.8
404.71008	1.7
445.29697	5.1
463.30591	14.1
589.33740	7.7
607.34772	82.2
607.43414	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	607.2915
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
53.76743	0.4
55.01739	0.4
60.19547	0.3
69.15775	0.6
69.16137	2.4
69.16628	1.7
77.69347	0.4
98.21551	0.7
106.68802	0.4
115.08295	0.4
195.28192	0.4
362.16391	0.5
373.14365	0.5
388.17056	0.8
389.17722	1.5
401.17801	0.5
402.18436	1.1
403.19214	3.9
404.19989	1.2
405.20706	2.0
415.19653	0.7
416.15515	0.5
416.20581	0.9
417.16409	1.3
417.21643	3.6
418.21674	2.9
419.22580	3.5
430.17703	1.3
431.18130	8.8
431.23648	0.7
432.18713	2.5
433.24063	9.3
434.24731	0.9
444.19162	1.0
445.19687	8.7
446.20831	4.9
447.21689	4.0
459.21558	5.1
460.22586	13.6
461.23328	11.8
462.23508	0.5
473.23807	3.0
474.24310	1.5
477.23175	1.1
487.25330	2.3
488.25955	0.6
489.22937	0.5
491.24765	0.7
492.24976	0.6
505.22174	3.9
506.27182	0.7
515.24536	0.7
518.23181	0.4
519.24298	2.6
532.24774	0.9
533.25372	0.5
547.27094	30.7
548.27808	0.7
575.26965	0.5
607.29181	100.0
608.29395	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2915
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
60.24507	0.6
68.55836	0.5
69.71666	0.5
84.97160	0.5
87.48801	0.5
88.11320	0.5
96.80372	0.5
98.20699	1.2
133.43356	0.5
147.28566	0.5
166.09398	0.5
198.00204	0.5
223.12355	0.6
387.16147	1.2
388.16940	1.4
389.17816	2.8
390.18799	0.7
401.17972	2.0
402.18570	2.3
403.19199	7.4
404.20050	2.3
405.20657	3.8
415.19382	2.0
416.20587	2.4
417.16739	1.6
417.21246	8.6
418.21661	5.8
419.22427	7.1
429.21201	1.2
430.18008	2.0
430.22574	1.0
431.18127	15.3
431.23657	1.4
432.19391	2.3
432.24118	0.8
433.24121	15.8
434.24524	1.6
443.18259	0.6
444.18915	1.0
445.19785	18.6
446.20847	7.7
447.21722	5.2
457.20062	0.7
458.20676	0.6
459.21375	7.0
460.22601	19.4
461.23401	18.5
473.23575	5.5
474.24426	2.5
476.21890	0.7
477.23019	1.0
487.25110	2.4
491.24542	1.5
505.21741	3.5
519.24146	2.3
519.27435	1.8
532.24664	1.2
547.27069	57.8
548.27478	1.2
575.27246	1.1
579.29572	0.9
607.29175	100.0
608.29846	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	607.2553
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
55.05443	0.6
56.25378	0.4
57.07014	0.6
57.46892	0.4
60.97504	0.4
64.08363	0.4
66.78654	0.4
67.05409	1.7
69.06985	0.7
70.63088	0.8
71.08542	0.6
79.05383	1.3
79.05786	0.4
79.51637	0.4
81.06943	1.9
91.05389	1.0
91.77789	0.4
93.06935	1.1
93.07500	0.3
95.08475	1.2
105.06918	1.0
107.08495	0.7
109.10088	0.7
119.08478	0.9
131.08505	0.6
133.10046	0.9
147.11569	0.7
209.10648	0.8
224.26848	0.4
239.41574	0.3
249.10127	0.5
258.11508	0.4
258.87543	0.3
275.19974	1.0
276.20309	0.8
286.13306	0.4
296.12152	0.4
300.14886	0.5
321.85663	0.4
374.15405	0.6
375.15857	1.0
376.17203	0.4
387.15997	1.4
388.16855	1.6
389.17731	3.7
390.18176	1.3
391.19131	1.1
401.18173	0.6
402.14215	0.7
402.18604	1.3
403.19431	6.8
404.20200	2.4
405.20825	3.5
406.21536	0.5
407.21997	0.5
415.19644	0.7
416.15939	2.2
417.16248	5.1
417.21011	2.7
418.17737	1.5
418.22287	0.8
419.22382	9.2
419.27838	0.6
420.23038	1.1
429.16757	0.8
430.17712	1.7
431.18353	9.5
432.19028	3.3
433.20016	3.9
443.18491	0.5
444.19461	0.8
445.20258	7.7
446.20999	8.4
447.21725	10.7
448.22385	0.8
459.18008	2.7
459.22345	1.5
460.18860	1.2
461.19669	1.7
462.24353	0.5
463.24841	1.7
473.18619	1.8
474.20499	11.6
475.21243	12.3
476.22162	0.6
477.22958	0.7
478.23080	0.4
487.21439	3.0
488.21866	1.2
490.24078	1.8
491.20645	1.4
491.25153	0.7
501.22824	2.0
503.25092	0.6
504.21515	0.4
505.22229	0.9
506.22415	0.5
518.23187	0.5
519.24170	11.4
529.22717	0.5
532.20886	0.8
547.23431	71.1
548.23480	2.3
561.24835	1.4
579.25989	4.8
589.24390	1.5
607.25537	100.0
608.25641	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	605.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.1
54.55383	3.7
55.01873	9.6
55.05518	43.3
57.03452	24.2
57.07079	72.0
65.03949	5.5
67.05509	97.4
69.07085	39.1
71.04999	9.5
71.08637	52.7
71.43263	5.2
79.05500	63.8
81.03423	8.5
81.07066	100.0
83.04996	9.6
83.08631	47.4
85.06544	6.2
85.10172	25.3
89.06046	3.2
91.05483	55.3
92.35893	3.2
93.07053	62.3
95.04977	12.4
95.08612	81.8
97.06517	15.1
97.10169	18.4
99.08092	6.5
105.04509	3.8
105.07040	60.4
107.04980	10.0
107.08603	45.7
109.06528	9.7
109.10184	38.4
113.00043	4.3
117.07052	18.4
119.08585	36.7
121.06509	5.3
121.10143	19.4
123.08096	8.5
123.11737	10.9
125.09641	7.0
129.07045	8.5
131.08585	27.8
133.10143	34.2
135.08104	6.1
135.11679	18.6
141.87973	3.2
143.08571	12.8
145.10135	24.6
147.08015	4.2
147.11716	18.7
149.09604	15.8
149.13287	10.4
151.11185	6.5
157.10124	9.0
159.11714	24.0
163.11139	7.4
169.02632	5.5
169.10130	4.0
171.11853	4.2
173.13324	9.2
177.12701	5.5
181.12151	4.5
181.64467	3.8
183.11731	7.3
185.13284	15.2
187.14752	4.0
189.11179	5.3
201.16409	5.6
203.14340	12.1
205.15956	6.3
219.17470	26.1
227.12790	7.7
229.19551	4.4
239.17914	7.3
239.23645	8.0
247.20592	4.2
251.16563	4.3
257.19031	18.8
275.20087	83.7
293.21149	27.5
313.27405	83.6
313.30161	2.5
331.22635	7.2
336.57294	3.2
349.23669	44.8
483.36679	5.1
493.38898	53.8
505.38876	6.0
507.40439	41.3
587.46716	41.9
605.47626	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	607.2551
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
58.24670	0.4
69.82328	1.9
82.42035	0.4
111.20480	0.4
165.35213	0.5
175.09067	0.4
192.57875	0.4
202.98045	0.4
233.10788	0.4
241.47115	0.4
278.72693	0.5
374.15314	0.8
375.16330	0.7
387.16330	0.5
388.17175	0.9
389.17563	2.4
390.18500	0.7
391.19205	0.7
402.18747	1.4
403.14914	0.7
403.19562	4.0
404.19891	1.3
405.21075	2.7
416.20609	0.7
417.16278	4.2
417.21228	2.1
418.17545	0.9
419.22516	5.7
420.23050	0.9
430.18033	1.1
431.18399	6.4
432.19150	3.3
433.20056	4.0
445.20010	5.3
446.21057	7.7
447.21750	8.7
448.22528	1.0
459.17355	0.9
459.22253	1.2
461.19962	1.7
462.24365	0.9
474.20483	5.5
475.21112	5.2
477.23230	0.9
478.23907	0.7
487.21249	2.0
491.20261	3.2
501.23074	1.6
502.23569	0.6
504.21054	0.7
505.22510	1.2
519.24200	13.8
520.24170	0.9
529.22375	0.6
547.23480	12.0
548.23895	1.1
579.26056	5.3
607.25562	100.0
608.26038	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	605.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.0
55.01870	6.9
55.05515	33.8
57.03442	6.0
57.07079	53.0
65.03928	3.1
67.05508	69.1
69.07072	30.1
69.36473	4.2
69.36884	9.3
71.05005	4.2
71.08634	39.3
71.69142	1.5
73.06574	1.7
79.05495	41.3
81.03424	3.5
81.07066	100.0
83.04971	8.0
83.08624	25.2
85.06542	3.9
85.10188	18.9
91.05487	41.4
93.07052	43.1
95.04968	13.0
95.08613	58.8
97.06525	10.3
97.10182	12.1
99.08098	2.5
99.11749	1.8
101.06059	1.6
105.07037	40.7
107.04952	7.6
107.08600	27.7
109.06535	13.6
109.10159	31.0
111.08064	4.2
115.05536	2.0
117.07026	14.4
119.08584	29.7
121.06504	4.7
121.10150	14.7
123.08068	6.5
123.11716	12.3
125.09630	2.7
129.07014	1.9
131.08574	18.5
133.10141	25.0
135.08058	4.4
135.11707	15.4
137.09692	3.9
137.13263	4.0
139.11188	2.6
141.06970	2.5
143.08607	4.5
145.10138	19.1
147.11684	19.2
149.09618	9.9
149.13287	8.3
151.11165	4.0
157.10135	3.7
159.11676	13.0
161.13327	1.7
163.11200	8.7
165.12752	4.8
169.02570	2.1
171.11659	2.6
173.13272	5.0
175.11179	2.8
177.12790	3.2
183.11717	2.5
187.14832	2.9
195.13762	1.6
229.19629	3.4
239.17963	2.9
239.23746	6.7
247.20631	7.2
251.16510	2.2
257.18954	10.8
267.15952	4.2
275.20071	64.3
291.19424	2.7
292.19800	1.9
293.21161	14.9
313.27365	44.1
331.22736	2.4
349.23761	24.8
390.64090	1.9
493.38885	28.3
505.38721	4.0
507.33408	2.8
507.40460	33.4
581.13623	1.7
587.46661	13.5
605.38947	2.3
605.47882	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	15.3
55.01875	16.1
55.05511	43.4
57.03432	16.7
64.91177	2.4
65.03928	7.9
67.05505	84.9
69.03432	24.8
69.07066	26.0
69.36693	18.4
69.87855	2.9
71.01332	6.0
71.04971	5.9
71.32572	2.9
79.05496	77.3
81.03419	80.0
81.06593	5.4
81.07059	100.0
83.04980	19.0
83.08617	23.9
85.02908	18.1
85.06536	8.7
91.05482	69.4
93.03420	2.6
93.06477	4.9
93.07044	71.9
95.04373	3.7
95.04964	55.3
95.08612	35.5
97.02895	15.1
97.06522	9.6
97.10172	15.9
98.20821	6.4
98.21474	5.0
99.08078	5.1
103.05468	6.3
105.04530	3.0
105.06325	2.5
105.07034	50.3
107.04953	23.3
107.08588	38.5
109.02888	26.4
109.06511	11.7
109.10136	10.9
111.04430	10.3
111.08083	7.9
113.06158	2.6
115.05446	9.3
117.07030	25.5
119.04929	8.5
119.08589	28.1
121.02852	5.3
121.06510	21.6
121.10157	24.7
123.04436	17.0
123.08070	6.3
123.11678	4.8
125.02347	7.0
125.05968	2.4
125.09634	9.1
127.03896	8.8
128.06215	11.3
129.06999	22.4
131.04930	14.6
131.08565	27.6
133.06474	12.5
133.10146	21.1
135.04372	5.2
135.08073	12.1
135.11717	12.2
137.05988	7.9
141.07059	6.0
142.07779	4.1
143.08540	14.9
145.06461	15.2
145.10127	12.4
147.04405	13.7
147.08054	7.5
147.11716	22.1
149.05975	9.6
149.09615	9.4
149.13318	14.8
151.11165	2.5
153.05338	3.1
155.08530	8.1
157.06519	8.6
157.10144	13.5
159.08026	7.2
159.11708	15.2
161.05968	9.4
161.09596	8.9
163.07520	5.8
163.11162	11.3
165.12740	8.3
167.08592	7.4
169.06471	5.6
169.10133	9.8
171.08041	8.5
171.11661	7.6
173.04532	3.5
173.05994	7.5
173.09593	6.4
175.03644	2.8
175.07579	3.2
175.11209	5.3
177.12727	7.0
179.08644	3.3
181.06476	3.1
181.10110	3.8
183.08067	4.6
183.11691	4.9
185.05960	3.8
185.09579	6.1
185.13243	6.4
187.07571	4.5
187.11142	3.3
189.05472	7.5
189.11154	5.2
189.12772	3.1
191.07072	3.9
193.12280	19.0
195.11900	4.7
195.13799	15.5
201.12825	3.1
203.14330	4.0
205.12300	5.7
207.13747	3.2
211.11316	3.6
211.13286	7.5
213.12773	3.8
217.12300	3.7
227.12732	3.2
233.15320	5.3
235.13371	3.4
243.13936	3.3
247.13289	5.2
249.14810	7.8
257.15436	4.0
259.13397	4.8
261.14767	4.7
267.15903	11.8
269.17499	21.6
273.14838	32.2
283.13315	5.6
289.14334	7.7
291.15805	4.7
301.14297	34.5
303.15765	7.7
319.15298	17.0
321.17010	5.6
323.16437	2.8
337.16876	3.3
345.16769	4.1
347.68655	3.1
357.16867	4.4
375.18005	9.8
380.37457	3.2
393.18936	10.9
393.23816	4.1
443.27814	6.6
449.27151	4.0
459.25580	3.8
461.28568	4.0
477.26385	5.0
479.30002	4.0
495.27243	5.6
508.83301	3.0
513.28467	3.4
527.29950	6.1
541.31281	5.1
551.29901	7.9
557.31110	6.1
561.29974	3.1
569.30951	32.3
587.32123	35.6
605.33215	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	605.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01870	16.9
55.05515	29.9
57.03434	8.4
57.06791	2.6
57.07077	51.5
60.41574	1.5
65.03935	5.1
67.05508	78.2
69.03424	2.8
69.07073	31.2
69.39942	2.9
69.40339	11.6
71.04999	4.4
71.08638	32.9
73.12618	1.6
79.05499	48.6
81.03413	5.6
81.07060	100.0
83.04992	6.3
83.08620	22.5
85.06546	2.7
85.10179	17.7
91.05487	40.4
93.07051	34.5
95.04981	10.8
95.08614	57.5
97.06531	18.2
97.10165	14.9
98.20758	2.9
103.05440	2.0
105.07039	44.2
107.04965	17.2
107.08604	34.0
109.06509	15.0
109.10158	26.2
111.08086	5.2
115.05439	2.6
117.07037	10.6
119.08592	31.4
119.09375	2.8
121.06508	3.8
121.10158	15.3
123.08080	5.2
123.11713	12.2
123.85232	1.8
125.09655	7.8
129.07030	7.1
131.08585	16.4
133.10144	23.8
135.08046	7.8
135.11688	10.0
137.09650	5.3
137.13217	2.1
141.07016	2.8
143.08571	5.3
145.06534	2.3
145.10133	20.6
147.08060	3.3
147.11678	23.2
149.09645	25.3
149.13245	2.5
151.11140	3.9
153.12666	1.9
155.08589	3.1
157.10136	5.8
159.11673	11.3
161.09621	4.0
161.13249	6.5
163.11160	13.2
165.12776	5.1
167.08469	2.0
169.10156	6.5
171.11678	4.1
173.09595	1.8
173.11885	2.3
173.13257	7.5
175.11340	2.5
177.12735	3.4
181.10033	2.3
183.11679	4.9
185.13287	2.7
187.11206	2.5
187.14790	3.1
189.11275	3.9
193.10219	2.6
193.12132	2.2
197.13315	3.0
199.14903	2.2
215.17862	1.9
227.12793	6.7
229.19508	2.2
236.11789	1.8
239.17967	5.6
239.23753	7.4
241.14417	2.4
247.20630	4.0
257.19031	12.9
275.20084	85.6
293.20920	9.4
313.27377	52.0
331.22864	2.4
345.57565	1.6
349.23767	35.1
513.37170	3.6
531.38361	3.4
549.39484	1.8
587.38391	1.8
587.46924	32.7
605.24213	9.0
605.39728	6.8
605.49036	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	3.0
53.03941	16.4
53.46853	2.6
55.01862	10.5
55.05279	2.7
55.05516	38.3
57.03441	13.4
65.03941	6.6
66.11880	2.7
67.05509	83.2
69.03437	18.6
69.07070	23.3
70.18266	12.7
71.01344	3.4
71.04987	8.3
73.02935	3.1
79.05492	69.5
81.03419	71.5
81.07056	100.0
83.04988	15.9
83.08617	23.0
85.02919	20.1
91.05488	74.3
93.06482	4.4
93.07048	64.2
95.04974	55.1
95.08617	38.3
97.02882	13.4
97.06541	12.2
97.10180	14.8
98.21463	3.0
99.04468	4.6
103.05468	4.7
105.04491	4.0
105.07032	50.2
107.04958	23.6
107.08589	32.5
109.02872	15.1
109.06523	10.3
109.10139	9.4
111.04445	10.9
111.08083	10.8
115.05396	6.4
117.07037	26.8
119.04940	5.0
119.08586	33.0
121.02892	3.6
121.06506	21.7
121.10138	19.5
123.04446	10.6
123.08065	4.6
123.11661	3.6
125.02322	5.2
125.09658	13.6
126.52996	2.6
127.03928	8.3
128.06171	5.9
129.07007	21.0
130.07724	3.5
131.03403	3.6
131.04948	12.5
131.08572	29.7
133.06490	15.4
133.10110	20.0
135.04372	3.3
135.08081	7.3
135.11702	13.3
137.05992	3.8
141.06967	8.1
142.07831	4.8
143.08591	17.9
145.06497	15.2
145.10088	16.9
147.04407	10.4
147.08028	10.2
147.11691	20.1
149.05998	5.3
149.09616	8.3
149.13214	12.8
153.09119	3.6
155.07347	2.7
155.08528	12.3
157.06516	9.2
157.10117	16.0
159.08113	9.5
159.11697	14.7
161.05989	11.0
161.09583	5.9
163.07465	3.9
163.11168	11.6
165.12730	6.6
167.08554	6.2
169.10162	8.5
171.08044	10.1
171.11674	4.0
173.04501	5.5
173.05940	7.2
173.09637	4.9
175.07535	4.5
175.11195	7.6
177.12776	6.1
181.10164	5.5
183.08081	4.6
183.11697	4.6
185.09694	3.6
185.13293	5.1
187.07608	4.9
189.05452	6.1
189.09157	3.3
189.11229	5.1
191.10657	4.4
193.12291	12.7
195.11824	3.2
195.13823	12.8
197.09508	3.7
205.12241	7.4
207.11937	3.4
211.13264	5.9
213.12791	4.7
223.13268	5.2
225.12769	3.5
227.12675	3.7
229.12332	3.2
235.13164	4.5
247.13290	3.5
249.14961	4.0
255.13853	5.7
259.13312	6.0
261.14978	4.0
264.99683	3.1
267.15857	9.9
269.17520	18.5
273.14871	27.1
283.13351	5.6
285.14651	6.0
289.14127	3.0
301.14343	22.3
303.15872	10.5
319.15320	12.2
321.17337	3.2
343.18652	3.1
375.18112	6.1
377.19434	4.2
393.18982	5.5
395.20587	3.6
443.27859	7.1
451.39999	3.0
461.28812	7.7
467.27478	2.9
477.26126	3.8
485.28937	3.5
495.27295	6.8
497.29437	3.1
513.28369	6.1
527.29999	5.1
541.32031	6.1
545.30890	4.8
551.30048	9.1
557.30481	3.8
569.31128	30.4
587.32062	27.3
605.33160	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94962	0.8
53.03941	2.9
55.01872	4.3
55.05515	22.1
57.03422	3.3
57.06794	1.6
57.07077	32.1
65.03933	2.5
67.04810	1.9
67.05237	3.5
67.05509	42.6
69.03421	7.1
69.07072	29.8
71.04987	2.8
71.08638	23.8
71.51193	1.4
71.93826	0.9
72.25640	0.8
79.05498	22.0
81.03415	5.3
81.07061	34.0
83.04999	3.4
83.08620	15.5
85.06521	2.1
85.10191	11.5
89.06011	0.9
91.05487	16.4
93.07047	16.2
95.04984	10.6
95.08612	30.1
97.02885	8.1
97.03378	0.9
97.06544	3.5
97.10171	10.0
99.08118	1.1
101.31171	0.8
105.07033	13.2
107.04945	7.1
107.08610	11.5
108.05741	0.9
108.64880	0.8
109.06531	6.9
109.10157	17.3
111.08086	2.3
111.11727	1.3
113.00039	1.0
113.06020	2.7
117.07017	8.3
119.04983	1.5
119.08591	13.4
121.06520	4.4
121.10155	6.2
123.08094	3.9
123.11720	3.9
125.09656	5.6
128.06157	1.5
129.07018	3.2
131.08565	8.0
133.06508	3.4
133.10149	5.3
135.08051	5.6
135.11719	3.7
137.09650	3.0
137.13274	1.2
143.08598	4.6
145.06476	1.2
145.10155	5.8
147.08081	5.3
147.11723	3.4
149.09625	2.7
149.13300	2.3
153.09126	1.6
157.10191	3.2
159.08096	1.7
159.11716	3.7
161.09673	4.6
163.11221	2.4
165.09146	1.3
169.02525	1.1
171.11761	1.7
173.11813	1.8
173.13280	1.0
175.11221	3.2
177.12799	1.9
181.10120	1.3
189.11240	2.7
193.12303	3.7
195.13799	1.6
217.15953	1.1
223.13298	15.2
227.12828	1.4
227.18057	1.3
237.16476	1.5
239.23763	3.1
245.19099	2.4
249.14861	1.1
255.17409	1.7
267.16071	1.0
273.18478	24.0
273.21277	1.6
291.19553	100.0
292.19720	1.3
309.20789	1.9
313.27390	8.6
329.21246	1.2
341.27234	1.0
345.58047	0.9
347.22025	4.2
365.23318	2.4
393.64313	0.9
415.10507	0.9
491.37296	8.9
505.38831	1.7
585.44952	2.3
603.46222	82.6
604.46918	1.6
624.53265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.4
55.01870	0.3
55.05519	4.7
57.03440	0.5
65.03940	2.2
67.01840	0.4
67.05508	1.3
68.99802	0.3
69.03432	6.6
69.44381	2.1
71.04973	0.4
81.03427	6.3
83.04990	20.5
85.02911	2.7
86.82221	0.3
93.03418	3.4
95.04952	0.4
95.47396	0.2
97.02902	7.0
98.20761	0.5
99.04435	0.9
101.02374	0.3
105.03416	0.4
107.04945	0.6
109.02894	3.1
111.00790	0.6
111.04451	10.1
119.04942	0.3
121.02871	5.6
127.03931	2.9
127.82443	0.3
133.02814	0.5
137.02344	0.5
139.02814	0.6
139.03912	11.3
145.04939	1.5
147.04410	0.5
153.01833	4.1
157.04982	5.2
165.01846	1.8
171.04425	0.4
183.02882	0.8
185.05956	0.5
213.05511	1.5
231.06528	0.8
241.04942	0.5
255.08661	2.7
258.05328	0.8
259.06113	0.3
283.08130	1.8
287.05518	100.0
288.05951	1.7
301.09198	3.0
319.10223	1.0
329.06540	0.5
358.00320	0.4
549.51434	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59508	0.2
55.05505	0.4
57.07088	0.4
67.05527	0.6
69.07072	0.3
69.32133	1.9
71.08630	0.5
79.05518	0.5
81.07069	1.1
83.08619	0.3
91.05486	0.3
95.08587	0.5
105.07024	0.4
109.10159	0.3
147.11642	0.2
237.14072	0.3
239.72560	0.2
250.79822	0.2
271.63159	0.2
275.20157	0.6
288.25562	0.2
306.49716	0.2
313.27618	0.3
336.68643	0.3
349.23849	0.5
382.59375	0.3
397.15671	0.2
399.16492	0.4
400.16742	0.6
401.17813	1.0
402.19135	0.5
404.21115	0.4
412.18103	0.4
413.17914	0.9
414.18527	1.4
415.19223	5.4
416.20132	1.5
417.20929	0.7
418.22247	0.4
427.19415	0.8
428.20551	1.4
429.20889	8.2
430.21619	4.0
431.22485	1.4
433.24039	0.4
442.21579	0.6
443.22733	4.3
444.23532	7.1
445.24426	3.3
448.26520	0.7
455.18439	0.4
456.19568	0.8
457.20059	1.2
457.24567	1.0
458.25665	2.5
459.21268	2.0
459.25754	3.1
460.22400	0.4
470.21094	0.3
471.21680	1.0
472.22684	3.3
473.23560	4.8
474.24451	2.1
476.21814	0.5
485.23590	3.8
486.24390	2.1
487.25000	20.5
488.26102	1.7
489.22919	0.9
490.23801	0.3
499.21341	0.3
501.23175	0.4
502.24017	0.4
503.24658	2.4
504.25198	0.6
513.22784	0.6
517.26453	2.6
518.24054	0.5
530.23425	0.4
531.23901	0.8
532.24860	0.3
545.25537	15.3
546.26208	3.4
573.24817	1.4
577.28119	0.6
587.46259	0.3
590.25165	0.3
605.27631	100.0
606.27850	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	603.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94962	0.8
53.03941	2.9
55.01872	4.3
55.05515	22.1
57.03422	3.3
57.06794	1.6
57.07077	32.1
65.03933	2.5
67.04810	1.9
67.05237	3.5
67.05509	42.6
69.03421	7.1
69.07072	29.8
71.04987	2.8
71.08638	23.8
71.51193	1.4
71.93826	0.9
72.25640	0.8
79.05498	22.0
81.03415	5.3
81.07061	34.0
83.04999	3.4
83.08620	15.5
85.06521	2.1
85.10191	11.5
89.06011	0.9
91.05487	16.4
93.07047	16.2
95.04984	10.6
95.08612	30.1
97.02885	8.1
97.03378	0.9
97.06544	3.5
97.10171	10.0
99.08118	1.1
101.31171	0.8
105.07033	13.2
107.04945	7.1
107.08610	11.5
108.05741	0.9
108.64880	0.8
109.06531	6.9
109.10157	17.3
111.08086	2.3
111.11727	1.3
113.00039	1.0
113.06020	2.7
117.07017	8.3
119.04983	1.5
119.08591	13.4
121.06520	4.4
121.10155	6.2
123.08094	3.9
123.11720	3.9
125.09656	5.6
128.06157	1.5
129.07018	3.2
131.08565	8.0
133.06508	3.4
133.10149	5.3
135.08051	5.6
135.11719	3.7
137.09650	3.0
137.13274	1.2
143.08598	4.6
145.06476	1.2
145.10155	5.8
147.08081	5.3
147.11723	3.4
149.09625	2.7
149.13300	2.3
153.09126	1.6
157.10191	3.2
159.08096	1.7
159.11716	3.7
161.09673	4.6
163.11221	2.4
165.09146	1.3
169.02525	1.1
171.11761	1.7
173.11813	1.8
173.13280	1.0
175.11221	3.2
177.12799	1.9
181.10120	1.3
189.11240	2.7
193.12303	3.7
195.13799	1.6
217.15953	1.1
223.13298	15.2
227.12828	1.4
227.18057	1.3
237.16476	1.5
239.23763	3.1
245.19099	2.4
249.14861	1.1
255.17409	1.7
267.16071	1.0
273.18478	24.0
273.21277	1.6
291.19553	100.0
292.19720	1.3
309.20789	1.9
313.27390	8.6
329.21246	1.2
341.27234	1.0
345.58047	0.9
347.22025	4.2
365.23318	2.4
393.64313	0.9
415.10507	0.9
491.37296	8.9
505.38831	1.7
585.44952	2.3
603.46222	82.6
604.46918	1.6
624.53265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59446	2.2
52.18415	2.0
53.03951	4.8
55.01878	11.0
55.05514	62.1
57.03441	11.4
57.07080	53.4
59.04984	2.3
65.03932	6.1
67.05508	70.2
69.07073	48.2
69.16441	22.6
71.04984	5.5
71.08632	40.9
75.72190	1.9
79.05070	3.8
79.05498	49.7
81.03404	5.0
81.07060	78.3
82.83128	1.9
83.04984	8.4
83.08620	41.9
85.06554	4.6
85.10204	15.5
85.67223	2.4
91.05487	91.0
93.07050	39.8
95.04969	10.2
95.08613	65.6
97.06540	6.2
97.10180	23.0
99.08102	7.6
103.05499	3.6
105.07034	61.7
107.04938	7.9
107.08582	22.0
109.06522	13.6
109.10164	19.4
111.08076	5.9
111.11703	5.1
113.06046	3.1
115.05452	12.1
116.06238	5.1
117.07022	46.9
119.08601	30.8
121.06527	8.7
121.10160	18.7
123.08070	8.9
123.11721	4.4
125.09620	6.5
128.06210	24.6
129.07022	28.6
130.07825	11.6
131.08577	84.9
133.06511	8.3
133.10133	20.9
135.08072	8.6
135.11658	10.0
137.09639	3.6
137.13252	3.6
139.11198	4.0
141.07014	12.0
142.07773	7.9
143.08568	100.0
145.10129	93.5
147.08035	6.0
147.11708	9.3
149.09592	4.9
149.13246	5.8
151.11183	2.8
153.06943	2.2
154.07793	3.3
155.08577	9.5
157.10135	25.4
159.08052	5.9
159.11705	19.3
161.09604	15.4
161.13298	2.3
163.11131	4.4
165.07013	3.0
167.08553	3.2
169.10117	14.7
171.11708	15.7
173.09538	3.0
173.13248	5.1
175.11153	7.5
177.12764	4.4
181.10133	12.6
183.11710	9.2
185.09660	3.1
185.13286	9.4
195.11783	19.3
195.13559	3.7
199.11162	4.7
201.12758	4.3
209.13249	4.4
211.14836	2.3
213.12866	4.5
217.15781	2.9
223.13419	2.7
227.17931	7.4
237.16408	14.9
237.22096	8.6
241.14360	4.7
245.19003	7.8
255.17386	19.9
257.24600	3.1
273.18503	63.2
275.20160	6.0
291.19547	21.7
293.21124	36.3
313.27377	92.2
323.42996	2.5
326.75620	2.4
329.21136	7.0
347.22235	23.0
381.49939	2.1
505.38675	3.0
585.45172	22.1
590.59106	2.0
603.35931	3.2
603.45758	54.6
603.53412	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	603.317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.3
53.03963	11.2
53.65853	1.9
54.04454	2.1
55.01868	12.2
55.05266	3.1
55.05514	34.4
56.54443	2.1
57.03459	11.1
67.05511	51.5
69.03431	12.7
69.07066	13.1
70.07309	5.5
70.07706	5.0
71.01361	2.6
71.04982	12.1
71.21133	2.0
77.03915	2.2
79.05498	54.0
81.03419	83.2
81.07061	54.9
83.04986	19.2
83.08619	23.6
85.02919	28.3
85.06553	2.9
86.06118	3.1
87.85712	2.1
91.05488	65.2
93.03404	3.4
93.07046	36.1
95.01365	2.4
95.04976	60.9
95.08611	22.4
97.02903	10.3
97.06540	9.4
97.10176	18.7
99.04486	3.2
99.08093	2.7
103.05492	8.9
105.03395	2.8
105.04487	2.5
105.07037	46.3
107.04958	26.2
107.05622	2.4
107.08617	19.5
109.02893	20.0
109.06512	11.1
109.10191	13.3
111.04440	13.5
111.08094	10.9
113.05995	2.1
115.05479	12.0
116.10742	3.3
117.07030	18.5
119.04919	11.0
119.08576	24.0
121.02904	10.3
121.06522	14.5
121.10141	16.7
123.04446	10.1
123.08057	6.3
123.11742	4.6
125.09645	8.3
127.03930	6.5
128.06227	6.6
129.07002	27.1
130.07834	2.2
131.04918	14.8
131.08578	22.1
133.06516	22.8
133.10147	16.7
135.04442	7.6
135.08076	8.8
135.11708	9.6
137.02364	7.7
137.05954	4.3
137.09644	3.7
139.03938	2.9
141.07019	9.8
142.07907	2.4
143.08569	11.4
145.06499	21.6
145.10138	15.9
147.04425	15.1
147.08064	12.1
147.11670	14.3
149.06030	11.1
149.09633	13.2
153.01837	4.2
153.07071	2.9
153.12697	3.5
155.08600	7.3
157.06525	7.4
157.10136	15.0
159.04427	5.5
159.08099	7.7
159.11699	2.4
160.05254	7.3
161.05995	29.4
161.09662	8.7
163.07607	2.4
163.11205	13.6
165.07047	3.4
165.09254	2.8
165.12776	3.1
167.08589	4.0
169.06575	2.4
169.10115	3.2
171.04401	2.9
171.08087	9.7
171.11676	4.9
173.05997	35.0
173.09650	7.0
174.06841	9.6
175.03915	5.6
175.07607	8.0
175.11203	12.8
177.05542	3.9
179.08398	2.5
181.10164	4.0
181.12225	3.6
183.08092	5.0
185.05997	4.9
185.09660	6.5
186.06776	3.0
187.07582	15.3
189.05476	30.8
189.09137	2.9
189.11263	5.2
191.07094	4.0
191.10728	3.8
193.10413	4.1
193.12250	39.6
195.11800	3.9
197.06004	3.7
197.09641	2.9
199.07605	6.8
199.11264	2.7
201.05511	3.0
201.09198	6.5
203.07083	4.0
203.10645	3.1
209.13420	3.6
211.11346	5.5
211.13274	33.9
219.13799	3.6
227.12794	8.7
227.14706	2.7
229.12302	2.6
231.13771	3.3
237.12785	2.5
239.10796	2.9
245.15552	5.1
255.13852	8.2
257.15485	5.8
259.13422	4.6
265.12241	3.8
267.16064	10.0
271.13318	5.0
273.14908	27.3
277.08923	2.8
283.13330	17.9
285.14499	4.5
285.17355	16.9
289.14392	6.1
301.14362	100.0
303.15881	3.9
319.15518	18.6
339.16003	2.5
341.17596	5.6
343.22726	2.4
357.17169	5.9
359.18661	3.6
375.18024	20.4
393.19168	7.0
419.25708	2.4
447.25793	3.5
459.27393	2.3
493.25778	8.3
511.27072	7.5
513.27997	2.4
529.28253	2.8
539.30133	3.0
543.29431	2.6
557.31323	3.9
567.29370	14.4
573.30530	24.9
585.30640	77.7
586.31476	3.1
603.31714	90.7
604.32086	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3169
Annotation	trapoxin A
Peak:m/z	Relative Intensity
52.87587	2.4
53.03934	10.0
55.01875	13.0
55.05275	3.1
55.05517	42.4
57.03443	13.7
61.75342	2.4
67.05180	4.3
67.05506	52.6
68.99760	2.8
69.03436	12.5
69.07077	13.2
69.86620	15.0
70.06601	3.3
71.01343	2.8
71.04998	10.6
74.37955	2.5
78.74021	2.3
79.05494	55.2
81.03420	71.7
81.07063	54.2
83.04997	20.1
83.08630	21.7
85.02909	37.0
85.06553	4.2
89.75701	2.5
91.05486	67.3
93.07045	41.4
95.01324	3.4
95.04972	58.9
95.08611	22.8
97.02889	8.7
97.06534	7.3
97.10173	25.2
99.04477	3.7
103.05475	9.4
105.07033	44.3
107.04942	22.0
107.08595	22.7
109.02883	15.9
109.06510	10.2
109.10175	13.4
111.04428	15.6
111.08079	9.1
115.05445	13.8
117.07016	23.0
119.04940	6.0
119.08573	23.3
121.02867	9.4
121.06519	16.5
121.10159	16.7
123.04430	9.8
123.08096	8.3
123.11764	4.6
125.09641	15.9
127.03916	4.0
128.06244	7.4
129.07007	22.8
131.04942	18.8
131.08575	23.5
133.06514	18.4
133.10132	18.7
135.04442	5.6
135.08073	7.0
135.11702	10.3
137.02353	8.4
137.05966	4.1
137.09615	3.9
141.07007	7.2
142.07756	5.4
143.08577	11.6
145.06502	24.8
145.10147	14.6
147.04405	15.1
147.08081	12.3
147.11699	10.0
149.05994	8.7
149.09673	10.6
151.07524	3.2
153.01848	6.8
153.07004	4.1
153.12665	3.6
155.08595	8.5
157.05392	2.5
157.06479	13.1
157.10147	16.1
159.08078	11.3
159.11774	3.5
160.05197	6.1
161.06013	23.9
161.09679	7.3
163.11215	17.0
165.05490	3.0
165.06873	4.3
165.12733	4.8
167.08600	6.3
169.06448	3.3
169.10130	4.9
171.04449	5.7
171.08057	8.8
171.11679	2.7
173.06012	39.3
173.09634	9.2
174.06763	10.4
175.03882	3.0
175.07617	7.5
175.11221	10.3
177.05493	3.1
181.06517	4.2
181.10178	3.6
181.12106	3.6
183.08148	4.8
185.06007	4.1
185.09624	6.7
186.06766	3.7
187.07549	17.2
187.11272	3.1
188.39215	2.6
189.05449	33.5
189.09125	2.8
189.11264	5.7
189.12846	3.4
191.08847	2.4
191.10640	6.3
193.10571	4.2
193.12260	27.4
195.08096	5.7
197.09621	5.6
199.07562	6.9
200.08368	3.4
201.09090	5.3
205.12329	2.9
209.09868	4.1
211.11357	5.0
211.13287	30.0
213.09183	4.1
215.07004	3.6
215.14653	2.6
227.12688	5.6
227.14622	3.1
237.12674	3.3
241.12331	3.2
243.13853	4.3
245.15520	3.5
249.14757	4.5
255.13863	11.6
257.15341	3.6
259.13409	3.4
267.16016	7.9
270.24408	2.9
271.13330	5.4
273.14810	35.1
283.13129	14.4
285.14810	11.8
285.17596	13.4
289.14459	5.3
301.14365	100.0
302.36703	3.0
303.15997	8.2
315.16196	6.2
319.15338	19.5
323.16464	5.9
339.15994	3.2
341.17435	9.3
343.15582	8.5
357.17111	6.2
359.18454	6.5
361.16678	4.7
375.17966	20.3
390.72070	2.6
393.19284	9.6
403.10876	2.7
447.25552	3.8
465.26227	3.5
475.25012	4.4
493.26089	9.7
511.26923	10.3
513.28314	3.4
529.28204	3.6
543.29486	11.2
555.29321	5.4
567.29498	24.9
573.30255	12.5
585.30554	90.8
603.31683	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3167
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03950	9.5
55.01872	14.8
55.05278	2.3
55.05516	38.6
57.03440	14.4
67.05511	48.6
69.03429	10.9
69.07067	13.7
71.04994	6.1
79.05498	48.3
81.03423	82.4
81.07060	48.0
83.04991	18.7
83.08620	30.5
85.02901	28.1
85.06513	3.0
91.05484	62.1
93.07050	36.5
95.01346	3.7
95.04971	61.9
95.08613	21.7
97.02898	9.2
97.06528	8.5
97.10168	13.9
103.05473	7.8
105.03403	2.4
105.07034	40.6
105.07693	3.2
107.04953	24.8
107.08596	19.5
109.02878	20.3
109.06521	9.4
109.10167	9.1
111.04453	15.4
111.08092	10.9
113.06005	1.9
115.05459	12.3
116.06237	2.0
117.07027	24.8
119.04971	8.2
119.08591	25.5
121.02871	9.5
121.06518	12.3
121.10163	14.5
123.04449	7.5
123.08095	5.5
125.06034	2.8
125.09647	10.5
127.03949	5.5
128.06252	8.4
129.05498	2.3
129.07008	28.1
131.04935	20.4
131.08562	22.8
133.06508	17.4
133.10165	12.1
135.04428	4.9
135.08076	6.9
135.11711	7.8
136.87241	1.9
137.02357	5.5
137.06010	5.1
137.09641	4.1
141.06981	7.7
142.07826	5.5
143.08577	9.1
144.05679	3.2
145.06491	22.6
145.10103	12.8
147.04405	13.3
147.08070	14.8
147.11678	14.5
149.05951	8.8
149.09624	10.0
149.44527	1.8
151.07549	2.3
152.06230	2.1
153.09174	2.2
153.12767	3.5
155.08595	7.6
157.06508	9.2
157.10159	16.3
159.04410	3.5
159.08057	8.7
159.11705	5.0
160.05225	7.1
161.06009	26.6
161.09651	4.4
163.07571	3.3
163.11182	16.5
165.05525	2.5
165.06996	2.3
167.08588	5.3
168.05748	1.9
168.09433	2.5
169.06517	4.1
169.10118	4.8
171.08081	7.9
171.11684	3.1
173.05986	29.5
173.07382	2.7
173.09621	6.4
173.13260	2.3
174.06778	8.4
175.03926	4.1
175.07567	8.7
175.11237	12.2
177.05463	2.6
178.07726	2.0
179.08728	2.4
181.06450	3.6
181.10138	3.9
181.12292	5.4
182.07233	2.3
183.08061	4.1
185.05974	3.4
185.09627	2.8
185.13385	2.5
186.06848	3.1
187.07538	16.3
187.11151	3.5
189.05475	29.8
189.09187	3.3
189.11249	5.1
189.12831	2.7
191.07124	2.9
191.08797	2.1
191.10687	2.8
193.10442	3.0
193.12250	38.6
193.13873	2.8
195.08157	4.4
195.11685	3.8
199.07587	5.4
199.11102	2.0
199.14798	2.7
200.08412	3.1
201.05585	2.1
201.09138	4.3
209.13431	3.2
211.07660	2.5
211.11377	3.0
211.13284	41.5
211.15221	2.5
213.09100	4.2
213.12849	4.1
227.12808	6.2
227.14729	2.4
231.13815	2.6
237.12900	3.2
239.10796	3.0
241.12343	2.6
243.13882	2.4
245.15619	2.9
255.13800	12.4
257.15411	5.8
259.13324	2.4
265.12119	2.9
267.15891	11.2
271.13409	4.4
273.14880	32.2
277.14221	2.4
283.13144	15.0
285.14798	11.8
285.17508	17.3
287.05420	2.5
289.14429	6.8
291.15930	2.8
301.14355	100.0
303.15997	7.7
319.15463	20.9
323.16434	2.8
341.17664	4.9
357.16971	7.8
359.18811	3.0
375.18011	24.8
385.23529	3.5
393.19031	10.8
429.24020	2.6
459.27399	2.7
465.26379	3.8
475.24878	6.0
477.28610	2.2
493.25809	4.6
511.26862	3.3
539.30493	2.1
555.29694	3.8
557.31104	3.9
567.29419	11.5
573.30737	22.5
585.30646	86.0
586.31366	2.7
603.31696	97.7
604.32458	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12382	3.3
53.03941	9.5
53.19012	3.1
55.01871	19.5
55.05276	4.0
55.05515	52.2
57.03437	16.0
59.73350	3.3
60.40693	3.3
67.05509	51.3
69.03435	7.1
69.07058	13.1
70.99031	3.1
71.05000	7.4
78.67000	3.1
79.05499	67.3
81.03428	63.0
81.07066	53.5
83.04990	14.5
83.08624	23.6
85.02911	29.7
91.05491	52.0
93.07042	33.1
95.04981	62.6
95.08617	25.6
97.02917	7.8
97.06542	7.0
97.10181	23.3
103.02591	3.4
103.05479	8.4
105.07022	47.5
107.04948	29.3
107.08608	22.9
109.02869	13.9
109.06511	12.7
109.10149	16.8
111.04461	12.7
111.08091	9.5
115.05483	12.4
117.07026	22.4
119.04948	9.7
119.08592	20.9
121.02878	9.7
121.06557	17.5
121.10146	14.2
123.04503	5.2
123.08058	7.5
123.11732	5.3
125.09627	11.6
128.06233	7.7
129.07011	24.4
131.04941	21.0
131.08554	25.4
133.06487	12.7
133.10121	8.5
135.04413	6.0
135.08067	9.5
135.11688	14.6
137.02336	7.6
137.05980	4.9
139.29463	4.1
141.07030	6.8
143.04929	4.3
143.08585	10.5
145.06516	30.8
145.10139	15.5
147.04414	16.6
147.08087	12.8
147.11681	12.3
149.05969	8.1
149.09642	7.2
155.08513	9.2
157.06490	12.8
157.10126	13.0
159.08075	10.5
160.05252	4.7
161.05995	26.7
161.09674	7.8
163.11194	15.8
165.12708	4.3
167.08548	7.9
169.06570	6.7
169.10144	6.0
171.04568	4.7
171.08093	10.7
171.11642	4.0
173.05978	40.3
173.09645	5.2
174.06839	8.6
175.03938	5.0
175.07529	8.3
175.11189	6.7
181.10123	4.4
181.12221	4.4
183.11618	3.8
185.06047	7.1
185.09630	6.1
186.06703	3.7
187.07524	17.1
189.05489	26.7
189.08940	5.6
189.11240	8.1
191.10687	6.6
193.12297	28.5
195.08063	3.7
197.09532	5.0
199.07504	8.1
199.11226	5.4
201.09256	5.0
203.10722	3.6
205.12126	3.7
211.11339	5.7
211.13283	33.1
213.09172	7.2
227.12694	8.4
229.51642	3.7
241.12186	5.2
249.14893	3.9
255.13806	13.2
257.15521	9.7
259.13525	6.9
267.16016	11.3
271.13123	4.7
273.14874	30.3
283.13229	16.6
285.14380	5.8
285.17404	17.5
289.14325	8.2
297.14731	4.4
301.14355	90.3
303.15857	10.8
315.16006	4.6
319.15387	17.1
323.16296	6.1
329.17261	3.9
339.15576	4.2
341.17401	13.3
343.15488	14.0
357.16992	5.5
375.17935	15.0
383.56461	4.0
393.19110	6.2
399.18631	4.5
429.25632	5.0
445.15985	4.4
447.24957	7.4
465.26175	4.9
475.24606	5.6
493.25650	10.6
511.26849	9.4
543.29517	19.0
555.28864	3.7
567.29608	23.1
573.30664	17.1
585.30646	100.0
603.21851	5.3
603.31586	93.5
611.31775	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	603.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	5.3
66.11046	1.4
69.03437	4.4
70.99856	2.4
71.49731	2.2
81.03413	2.9
82.09934	1.4
82.99867	3.5
84.96026	1.4
85.02891	8.8
95.71542	1.6
97.02899	4.3
98.97595	44.6
101.00903	21.3
110.97588	3.6
113.00865	2.3
115.02437	1.4
116.98623	10.1
119.01923	23.2
123.75432	1.4
127.03899	3.6
131.01933	4.5
134.99667	3.0
143.01912	100.0
145.03452	2.5
150.70921	1.4
153.01848	11.6
154.02213	1.7
155.01901	6.0
158.99672	27.2
161.02975	88.4
162.02887	1.4
173.02971	4.1
177.00746	15.4
183.05064	1.5
184.04581	3.1
185.02966	2.7
185.06557	2.3
189.00735	1.5
197.02986	3.2
201.00662	1.9
203.04031	55.4
209.02914	1.7
211.04527	2.2
213.00697	1.7
213.02438	8.3
216.66589	1.7
219.01799	18.8
221.05061	6.6
223.04579	2.6
227.07785	2.5
237.02611	12.7
245.05145	3.2
249.02489	6.1
251.04060	1.9
255.03564	10.3
261.02725	4.5
263.04068	6.9
266.30316	1.5
267.03622	6.8
276.96393	1.4
279.03601	6.6
281.05096	4.3
287.09821	22.7
291.03427	3.0
297.04562	5.4
303.01328	2.4
303.07477	6.7
305.10690	1.9
321.04904	3.5
321.08527	3.8
339.05649	46.7
339.09753	3.0
348.06918	2.2
357.06714	25.8
393.08755	4.0
399.07834	9.4
417.03696	1.7
417.08835	20.1
424.72507	1.6
430.40417	1.7
435.09814	3.2
441.11331	6.4
453.09393	1.6
596.16663	1.8
603.17725	32.5
604.18433	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	601.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31812	1.0
69.03451	1.0
71.12510	1.9
79.01846	3.8
85.02894	1.5
89.54903	1.2
97.02883	11.0
107.01326	1.1
116.82980	1.1
125.02342	3.2
125.15476	1.0
127.03972	1.9
131.04915	3.3
143.03400	6.7
147.04135	1.2
153.01842	100.0
153.02922	5.0
159.04407	5.6
163.03882	2.5
165.11179	1.0
167.38654	1.0
171.02901	1.3
171.04330	1.2
177.05502	1.6
181.01280	1.5
187.03922	1.5
191.03398	2.2
205.04921	8.7
207.02916	7.6
215.03445	2.1
221.04417	5.2
233.04407	11.2
237.03830	1.5
249.03912	4.5
261.03983	2.7
279.05051	6.3
287.05505	28.0
297.06186	6.4
315.07123	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	601.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.2
55.01864	14.5
55.05512	100.0
57.03431	13.5
57.07076	31.6
65.03938	6.1
67.05505	89.6
69.03421	9.4
69.07072	86.3
69.07397	2.3
69.21312	29.5
71.05005	6.0
71.08638	17.9
72.07836	3.9
79.05489	61.2
81.03419	4.2
81.07056	99.2
83.04993	12.2
83.08620	58.9
85.06546	6.5
85.10159	9.2
86.65178	3.3
89.06030	7.7
91.05482	72.2
92.26289	3.5
93.07047	60.3
95.04963	17.7
95.08609	66.5
97.02901	3.1
97.06502	15.7
97.10175	50.3
103.05453	7.7
105.06378	3.0
105.07030	56.6
107.04946	10.5
107.08595	33.5
107.35934	3.9
109.06522	12.0
109.10162	26.8
111.08089	10.3
111.11715	12.7
113.06015	4.5
115.05476	12.3
116.06249	3.6
117.07025	41.1
119.08589	44.8
121.06503	6.3
121.10136	28.4
122.14725	3.3
122.21410	3.1
122.31744	3.6
123.08041	8.4
123.11705	15.0
125.09636	9.9
128.06230	27.7
129.06955	22.6
129.18672	3.3
130.07794	11.6
131.08577	73.8
133.06514	9.2
133.10150	23.3
135.08058	10.7
135.11694	19.0
136.05133	3.3
136.33330	3.3
137.09601	7.2
139.11203	6.7
141.06976	10.7
142.07770	6.1
143.08554	75.0
143.09566	6.2
145.06567	5.7
145.10129	79.4
147.08047	11.3
147.11716	10.3
149.09669	6.3
149.13303	4.6
155.08566	5.2
157.10109	16.0
159.08031	4.0
159.11685	16.6
161.09657	13.1
161.13295	6.1
167.08598	4.1
169.10124	18.6
171.10382	3.8
171.11690	15.0
173.09662	7.8
173.13260	4.1
175.11147	6.4
177.12811	6.9
181.10089	9.8
183.11678	14.3
185.13274	7.0
195.11723	17.1
199.11182	4.3
201.12679	4.0
212.11409	3.5
223.13326	9.4
227.17853	4.6
237.16396	13.1
237.22177	16.0
245.19048	6.6
255.17421	17.1
263.23947	4.5
271.16876	5.6
273.18555	44.8
289.17950	6.7
291.19479	42.8
292.85220	3.5
311.25818	94.1
311.29279	6.9
313.27325	5.1
329.20883	4.5
347.22150	19.6
442.08533	4.3
489.35754	9.4
583.43488	23.4
601.43726	60.0
601.53210	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	601.1192
Annotation	Kaempferol 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
53.03939	1.2
54.27475	0.3
55.01882	0.5
57.03455	0.3
61.02927	1.1
68.90869	0.3
68.99802	0.6
69.03437	3.9
70.06595	0.5
70.64664	1.0
71.04988	1.1
79.01860	2.6
79.05449	0.3
81.03436	3.0
85.02908	4.1
86.09725	0.3
92.68439	0.3
93.07081	0.4
95.04922	0.3
95.08591	0.4
95.41464	0.3
97.02895	11.9
99.04453	1.2
105.07043	0.4
107.01332	1.0
107.04953	0.6
107.08597	0.3
107.12912	0.3
109.02876	2.7
110.07164	0.3
111.00827	0.5
119.08584	0.3
121.02869	2.9
121.06271	0.3
121.39571	0.3
125.02341	2.5
127.03935	2.8
128.06267	0.3
131.08551	0.3
133.02853	0.5
135.04445	0.4
137.02348	0.7
143.03424	2.8
145.04991	3.2
145.06113	0.4
145.06474	0.3
147.04436	0.6
153.01839	52.9
153.02905	3.2
165.01848	1.6
171.02916	6.3
171.04337	0.4
183.02901	0.9
185.05971	0.6
185.61092	0.3
213.05429	1.7
241.05008	0.6
258.05350	1.5
259.06009	0.4
287.05511	100.0
288.05820	0.8
297.06058	0.6
299.05591	0.6
315.07007	0.5
379.15875	0.3
539.93652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1189
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01599	0.3
50.87654	0.2
51.02382	0.7
53.03944	1.1
55.01876	0.3
57.03423	0.2
61.02930	0.2
68.99804	0.6
69.03428	2.3
69.96259	0.4
69.96669	0.8
71.04967	0.3
71.11550	0.2
79.01854	4.6
81.03419	9.1
85.02926	2.2
97.02895	5.7
99.04446	0.8
101.13358	0.2
101.64076	0.2
105.03388	0.2
107.01321	1.8
107.04944	0.3
109.02889	4.7
111.00812	0.4
116.75188	0.2
121.02844	1.8
123.00775	0.3
125.02355	3.2
127.03924	4.7
133.02821	0.3
135.04362	0.3
137.02357	1.8
137.03357	0.4
141.07077	0.2
143.03404	5.2
145.04968	1.0
147.04453	0.3
153.01837	100.0
153.02895	5.5
154.02106	0.5
157.06505	0.4
159.61508	0.2
162.82625	0.2
165.01828	1.5
171.02908	8.8
171.04387	0.4
173.71722	0.2
183.02899	0.5
185.06065	0.4
213.05443	0.8
231.06494	0.5
241.04968	0.8
258.05295	0.7
259.06076	0.2
279.04840	0.2
287.05508	71.6
288.05789	0.8
297.06061	9.5
303.04974	0.5
315.07083	2.9
329.06509	0.7
329.74054	0.2
395.07840	0.2
506.53223	0.2
559.08258	0.2
571.44745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52692	0.4
69.03436	8.1
70.61915	1.3
72.42997	0.5
79.01880	2.1
81.03413	0.5
97.02901	1.9
107.01340	0.9
109.02881	1.1
121.02868	1.4
123.70542	0.6
125.02359	1.9
127.03936	4.6
133.02873	0.5
137.02339	0.6
143.03386	4.4
152.24030	0.5
153.01840	100.0
153.02875	4.7
159.04413	0.8
163.03871	1.4
165.01892	0.6
171.02893	1.1
175.03960	0.8
179.03403	1.6
181.01332	0.5
191.03427	1.8
205.05064	0.9
207.02898	1.2
209.04530	0.8
213.24919	0.5
221.04596	0.7
233.04486	1.3
237.03987	2.5
242.62157	0.5
258.05356	0.5
261.03946	0.9
279.05026	1.0
287.05515	28.1
288.05963	0.6
297.06024	3.2
315.07089	4.6
329.06525	0.7
387.07254	0.5
425.13818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.119
Annotation	Kaempferol 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01605	0.3
51.02383	0.4
51.12001	0.3
52.67911	0.2
53.03945	0.3
56.05031	0.3
68.99799	0.6
69.03423	0.5
69.93434	0.7
69.93849	0.5
78.86756	0.2
79.01855	4.8
80.67118	0.2
81.03431	0.9
85.02901	1.0
87.00856	0.3
97.02908	1.5
98.21404	0.3
105.03394	0.4
107.01324	1.5
107.04956	0.5
109.02881	1.2
111.00832	0.6
121.02872	2.5
125.02347	2.6
127.03951	1.2
130.53369	0.3
133.02838	0.3
137.02377	0.7
143.03401	5.8
145.04988	0.5
147.04437	0.4
153.01840	100.0
153.02878	5.4
154.02203	0.6
157.06581	0.5
161.05933	0.3
165.01820	2.0
169.67705	0.2
171.02943	1.2
171.04265	0.3
183.02925	0.6
185.06024	0.5
195.02888	0.8
213.05493	1.1
231.06694	0.7
241.04991	0.8
243.06715	0.3
258.05273	1.0
259.06015	0.3
273.81287	0.2
287.05515	83.9
288.05725	0.6
297.06064	0.6
315.07129	4.7
329.06653	0.6
353.06339	0.4
403.08624	0.3
431.09427	0.3
516.83502	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83943	3.2
52.92374	3.1
53.03949	5.2
54.41607	3.3
55.05520	19.4
57.07066	12.7
60.89987	3.7
65.03916	3.6
67.05505	26.7
69.03432	18.1
69.07048	13.9
70.75519	6.8
70.75852	7.3
71.04996	4.3
77.03960	3.2
79.05491	37.7
81.03403	5.7
81.07058	35.5
83.04980	17.6
83.08628	8.6
85.06561	6.4
89.77460	3.5
91.05487	55.0
91.37527	3.5
92.42117	3.5
93.07053	71.4
95.04988	20.6
95.08621	40.1
97.06531	8.1
97.10130	4.6
98.21404	4.3
105.07035	85.3
107.04923	5.5
107.08601	48.0
109.06532	16.3
109.10133	15.6
115.05426	4.1
117.06990	22.1
119.08597	77.1
121.06512	16.2
121.10141	44.7
123.08083	33.6
125.06014	6.3
125.09618	8.2
128.06244	14.5
129.07016	24.7
130.07852	4.9
131.08578	46.8
132.09438	4.1
133.06496	8.0
133.10141	45.4
135.08049	24.1
135.11696	14.0
137.05899	4.8
137.09590	14.2
139.07559	6.1
141.06952	6.3
142.07777	29.9
142.65758	4.0
143.08565	52.4
144.09290	14.3
145.06474	6.9
145.10150	58.4
146.10828	5.2
147.08057	34.8
147.11665	11.3
149.09610	26.6
151.07559	18.1
151.11237	3.7
153.09166	3.9
154.07819	4.6
155.08540	24.9
156.09372	22.2
157.10141	68.2
158.10886	10.5
159.08101	18.4
159.11694	38.8
160.08792	4.4
161.09625	18.2
161.13258	10.4
163.11189	16.9
165.06944	5.8
165.09131	39.5
167.08527	9.6
167.10709	17.0
168.09270	9.1
169.10181	25.0
170.10944	7.9
171.11707	43.7
172.12398	10.0
173.09605	11.7
173.13246	11.6
175.11179	26.1
175.14859	5.2
179.08539	13.7
180.09361	5.2
181.10217	19.9
181.12253	15.6
182.10933	6.7
183.11740	26.9
184.12498	6.4
185.09657	9.0
185.13284	24.3
187.11232	11.3
187.14801	6.4
189.12729	12.0
190.13451	10.9
191.10748	3.9
191.14481	4.1
193.10094	12.4
193.12231	11.9
194.10869	10.2
195.11728	24.6
196.12387	7.2
197.13260	23.2
198.10419	4.6
199.11189	10.1
199.14835	6.2
201.12724	10.6
203.14291	29.1
205.10173	6.6
206.10994	4.8
207.11671	16.5
207.13831	15.7
208.12572	4.4
208.14552	6.9
209.13229	22.8
209.15187	7.5
210.13998	6.2
211.11206	7.4
211.14807	14.9
213.12727	10.3
213.16443	3.7
218.16618	4.4
219.11722	5.9
219.13809	5.4
221.13248	10.9
221.15355	96.5
222.15787	8.5
223.11301	6.2
223.14792	12.7
225.12764	8.9
225.16362	8.3
227.14345	3.9
231.11636	3.9
233.13380	4.5
233.15331	23.7
234.13852	3.6
234.16019	14.8
235.14809	11.1
236.15442	4.0
237.12656	7.3
237.14702	37.3
239.14293	5.0
241.15819	4.2
243.11612	3.8
245.15562	3.7
247.14757	5.7
247.16957	11.8
248.14091	10.3
249.16414	4.9
250.15804	4.5
251.14371	6.6
251.17966	4.1
253.15918	5.4
255.17458	20.1
259.16977	5.0
261.16339	7.8
268.18304	3.6
269.19064	3.6
271.16965	7.4
273.16187	4.0
274.19315	15.0
277.19534	4.6
279.17401	5.5
281.19098	3.9
285.18600	7.2
286.19345	13.5
287.20041	12.3
291.21097	3.6
294.19781	4.5
295.20560	4.7
297.18497	5.6
299.20053	13.1
303.19577	46.7
311.20120	6.9
312.20761	6.7
313.21555	15.0
322.22998	7.1
325.21634	11.0
335.67474	3.5
337.21774	11.1
347.23694	3.7
352.23959	100.0
359.23886	5.0
365.24814	21.2
377.24612	5.8
420.29446	4.4
487.31976	3.9
502.34433	9.0
503.35062	7.6
505.33069	4.7
507.34763	11.0
508.35379	5.2
520.35474	42.6
585.39392	4.6
600.41388	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67229	4.0
52.37262	3.6
53.03942	7.5
55.01859	5.0
55.05509	20.5
57.07059	12.6
59.05003	5.0
67.05509	35.3
69.03420	13.8
69.07061	23.5
71.04995	7.0
79.05496	42.0
81.07062	46.3
83.04991	15.8
83.08616	13.9
85.06538	9.3
85.50967	4.5
89.06016	8.8
91.05485	63.6
93.07048	77.6
95.04964	26.5
95.08611	41.1
97.06528	19.8
103.04858	3.9
103.05498	6.6
105.06322	5.1
105.07037	100.0
107.08605	72.2
108.05808	3.8
109.05872	3.9
109.06525	17.7
109.10157	34.8
111.08082	11.2
113.09631	6.4
115.05482	9.2
117.07042	23.8
119.08588	82.9
120.09377	4.8
121.06496	11.9
121.10149	62.6
123.08078	33.4
125.09636	12.3
128.06227	17.8
129.07018	37.8
130.07784	11.9
131.08575	42.8
132.09366	4.4
133.06476	4.0
133.10141	43.9
135.08044	13.8
135.11682	13.9
137.09628	10.4
139.11143	6.2
141.06972	14.6
142.07808	32.8
143.08577	58.4
144.09351	13.0
145.06493	13.7
145.09053	6.3
145.10136	79.1
147.08061	17.5
147.11711	27.9
149.09627	22.2
151.07578	8.8
153.07011	7.3
155.08633	26.1
155.10677	15.3
156.09332	26.3
157.10138	79.0
158.10887	21.3
159.08043	22.1
159.11719	56.3
160.08827	21.7
161.09610	16.1
161.13240	10.4
163.11169	12.0
165.06981	13.1
165.09081	18.1
166.07756	7.7
167.08546	14.2
167.10693	12.8
169.10138	35.5
170.10896	12.7
171.11694	43.1
172.12502	5.8
173.09608	10.8
173.13257	22.7
175.11224	19.2
175.14749	6.1
179.08542	15.7
180.09338	8.8
181.10114	27.2
181.12190	12.0
182.10912	13.5
183.11739	31.1
184.12392	7.7
185.09720	9.0
185.13298	24.3
187.11186	8.9
187.14845	8.8
189.12764	6.9
190.13525	4.1
191.14156	4.2
192.09294	4.6
193.10153	19.7
194.10869	10.7
195.11731	32.6
196.12482	10.5
197.09618	5.4
197.13280	38.9
199.11157	10.8
199.14853	14.2
203.14288	12.6
205.10141	5.9
206.10863	7.3
207.11682	20.1
207.13594	8.1
208.12469	14.3
209.13252	24.3
210.14149	8.0
211.11201	5.2
211.14812	17.6
213.12753	13.4
213.16290	7.2
215.14348	14.1
218.16728	5.4
219.11783	6.3
220.12515	6.3
221.13260	14.4
221.15390	36.7
223.14781	19.0
225.12743	5.9
225.16391	6.8
227.14272	8.6
227.17859	4.6
229.16010	4.1
229.52438	5.6
231.11682	5.9
232.12398	5.2
233.13275	9.3
233.15428	23.3
234.14069	4.6
234.16220	5.4
235.14822	15.2
236.15703	4.3
237.16393	14.6
239.14337	6.7
241.15961	6.9
243.17528	5.3
245.13162	7.3
246.14067	7.0
247.14841	9.3
247.17039	5.8
249.16432	9.5
251.18109	7.5
253.15826	6.8
254.17325	4.3
255.17462	43.2
259.14795	5.3
261.16257	5.2
263.18097	10.8
265.19318	6.0
267.17572	6.5
268.18042	5.4
269.18866	6.0
270.19910	6.9
273.18637	7.4
275.18005	5.5
279.17551	4.4
281.19119	7.1
285.18488	4.8
286.19183	6.2
293.18597	5.2
299.20242	6.9
303.19635	5.5
309.22260	4.8
313.21854	4.0
352.23831	11.3
365.24811	8.2
383.25766	7.4
520.35577	6.4
537.95953	4.6
567.38062	5.0
600.41571	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
55.05508	15.5
57.07066	12.6
67.05514	27.3
69.03446	17.7
69.07064	16.9
79.05502	43.0
81.07069	37.0
83.04996	18.6
83.08626	6.4
85.06551	9.4
87.67409	3.6
91.05488	61.9
93.07054	70.7
95.04989	18.9
95.08624	44.6
97.06537	9.3
99.29758	3.6
103.05475	5.0
105.07037	93.6
107.08604	59.4
109.06542	18.9
109.10153	15.1
111.04497	4.5
111.08085	6.3
113.09590	3.7
114.26335	3.6
115.05443	8.2
117.07014	25.2
119.08596	85.4
120.09303	4.7
121.06504	16.9
121.10148	42.4
123.08079	27.8
125.05997	6.4
125.09611	8.6
128.06221	11.9
129.06990	33.8
130.07773	9.3
131.08586	45.2
132.09282	3.8
133.06514	8.2
133.10133	46.2
135.08055	29.7
135.11708	12.5
137.09636	21.5
141.07021	10.7
142.07771	31.4
143.08582	61.7
144.09325	11.5
145.06416	5.2
145.10144	70.4
147.08072	38.9
147.11699	10.3
148.08830	4.8
149.09618	26.8
151.07582	24.4
153.09203	5.2
154.07727	4.9
155.08566	17.5
156.09355	15.4
157.10143	82.0
158.10883	15.0
159.08092	17.3
159.11731	36.7
161.09647	21.2
161.13245	8.4
163.11154	22.2
165.09120	56.1
167.08557	9.0
167.10745	18.7
168.09346	4.8
169.10156	36.8
170.10909	15.8
171.08041	4.8
171.11699	51.6
172.12523	7.5
173.09650	15.0
173.13295	17.2
175.11223	30.9
179.08522	8.6
180.09335	10.1
181.08713	4.2
181.10051	17.4
181.12236	8.4
182.10936	11.2
183.11710	35.2
184.12527	4.7
185.09677	6.1
185.13269	22.4
186.14026	4.1
187.11220	6.1
187.14757	6.5
189.12740	10.5
190.13499	11.2
191.10820	4.4
193.10159	17.7
193.12251	14.8
194.10938	12.4
195.11711	23.3
196.12462	10.3
197.09702	7.1
197.11615	6.2
197.13226	19.4
199.11165	14.9
199.14870	6.9
201.12807	11.9
203.14302	32.6
204.14694	4.0
205.10187	6.1
207.11726	18.2
207.13834	20.5
208.12491	12.2
208.14520	9.8
209.13249	23.5
209.15234	7.8
211.11235	8.0
211.14847	10.8
212.11934	4.6
213.12784	13.4
213.16180	4.7
215.10770	4.6
215.14320	6.2
217.10237	5.5
219.11792	6.9
219.13800	7.9
220.12328	8.5
221.13220	15.6
221.15347	93.9
222.15858	4.6
223.11208	8.8
223.14880	13.2
225.12791	7.0
225.16328	11.1
227.14429	4.6
229.15941	6.3
233.13297	10.7
233.15434	24.8
234.14052	4.4
234.16203	10.7
235.14859	11.9
237.12759	8.6
237.14726	39.5
237.16870	3.5
239.14214	5.3
245.13278	5.9
246.14078	5.5
247.14879	8.9
247.17085	12.1
248.14069	13.4
249.16470	5.6
253.15805	9.1
255.17371	26.0
257.15311	5.0
268.18207	5.8
270.19839	6.2
271.17111	7.4
273.16095	4.7
273.18707	5.4
274.19275	9.4
279.17419	7.6
281.19046	6.1
285.18600	7.9
286.19269	18.3
287.20111	11.4
290.20059	5.2
294.19861	4.7
295.20410	6.8
299.20108	9.1
303.19595	65.3
312.20764	4.7
313.21564	12.6
325.21729	21.9
337.21533	8.1
352.24011	100.0
365.24731	17.1
377.24869	6.7
383.26059	5.9
420.30087	4.8
487.32016	4.6
502.34348	14.9
503.34821	4.5
505.32748	5.6
507.34714	9.3
508.35248	10.9
520.35651	43.1
600.41455	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.6
55.01862	3.1
55.05510	12.0
57.07076	13.4
59.04996	3.2
65.03953	3.7
67.05504	31.2
69.03432	20.5
69.07072	16.0
70.06597	28.2
70.86803	6.0
77.03928	2.8
79.05495	30.3
81.03428	4.0
81.07059	41.4
83.04984	15.1
83.08640	11.3
85.06545	8.2
89.06013	9.0
91.04897	3.3
91.05482	67.0
93.07048	68.0
94.07313	2.3
95.04969	20.5
95.08060	3.2
95.08615	39.4
97.06546	11.4
103.05447	4.6
105.04548	4.0
105.07040	100.0
105.67493	2.1
106.07889	2.7
107.04971	5.5
107.08598	57.3
109.06512	24.1
109.10163	19.9
111.08076	6.1
115.05448	9.9
116.06329	3.1
116.07087	40.0
117.07013	24.6
119.04936	4.0
119.08587	84.5
121.06516	17.1
121.10157	47.2
122.07275	3.7
123.08068	30.8
123.11694	5.3
125.05978	6.1
125.09618	8.7
128.06245	15.1
129.07016	27.3
130.07771	8.4
131.08580	49.7
132.09381	4.5
133.06493	10.9
133.08614	3.9
133.10139	50.7
135.08063	26.5
135.11707	11.5
137.06007	3.0
137.09616	12.3
139.07532	5.0
139.11252	3.1
141.06969	10.5
142.07788	32.3
143.08565	56.4
144.09351	17.4
145.06512	4.8
145.10133	65.4
146.07236	3.3
146.10873	2.7
147.08057	39.9
147.11697	17.4
148.08762	2.9
149.09610	24.6
149.13362	2.8
151.07532	24.6
151.11143	5.4
153.05688	2.1
153.06929	4.3
153.09119	5.0
154.07758	4.6
155.08565	21.0
155.10681	2.5
156.09349	23.1
157.06470	3.0
157.10139	73.7
158.10890	6.8
159.08076	20.7
159.11711	36.6
160.08824	5.3
161.09639	22.2
161.13280	7.5
163.11189	18.1
165.07016	6.7
165.09123	48.8
166.07820	3.0
166.09622	2.2
167.08540	8.4
167.10681	14.6
168.09349	6.8
169.10130	27.0
170.10909	10.8
171.08052	7.3
171.11696	41.4
172.08769	3.6
172.12447	7.8
173.09659	12.8
173.13268	19.4
174.10294	2.8
175.11201	27.2
175.14850	5.0
177.09122	4.9
177.12796	2.9
178.07790	2.4
178.09875	2.9
179.08524	11.4
179.10710	5.9
180.09340	10.1
180.11389	2.1
181.10106	13.5
181.12244	11.6
182.10948	10.7
183.08167	3.3
183.11694	25.6
184.12440	8.7
185.09645	6.1
185.13242	24.2
186.13902	3.7
187.11191	10.6
187.14807	7.0
189.12775	17.6
190.13525	9.6
191.08685	4.2
191.10623	5.4
191.14297	4.8
192.09273	5.4
193.10191	13.7
193.12105	10.3
194.10948	7.0
195.11726	28.0
195.13557	4.2
196.12402	6.3
197.09683	5.6
197.11705	2.5
197.13298	20.3
198.10426	4.1
199.11206	11.1
199.14836	9.4
200.11945	2.6
201.12732	9.1
203.14314	25.0
205.10139	4.1
205.12117	3.1
206.10899	6.1
207.11681	17.6
207.13795	16.3
208.12453	7.8
208.14496	5.5
209.09474	2.7
209.13263	17.7
209.15201	4.7
210.14023	5.6
211.11208	7.2
211.14897	10.9
211.16655	3.2
212.12141	3.8
213.12749	12.2
215.10760	3.3
215.14345	5.3
219.11707	7.5
219.13853	7.7
220.12416	7.2
221.13362	10.3
221.15356	95.2
222.13870	5.5
222.15831	3.3
223.11247	2.9
223.14870	14.4
225.12743	9.0
225.16406	5.7
226.13295	3.2
227.14316	4.8
229.12221	4.5
229.15834	4.5
230.10980	2.8
231.11652	3.8
231.13721	2.8
232.12410	4.9
233.13223	7.5
233.15398	28.1
234.13919	5.0
234.16101	13.6
235.14789	9.8
236.15599	3.2
237.12697	7.8
237.14659	35.1
237.16887	4.2
239.14250	4.9
239.17987	4.0
241.12221	2.4
241.15907	5.1
243.13806	3.3
245.13246	4.6
246.13985	4.1
247.14735	5.7
247.16975	11.4
248.13849	11.7
249.16425	6.5
251.14278	3.9
251.18057	4.8
251.72731	2.3
253.15842	9.2
255.17464	23.8
259.17078	4.0
261.16391	8.4
263.18158	4.1
267.17484	3.3
268.18057	2.6
270.19678	5.2
271.16940	8.1
273.16159	3.8
273.18741	3.8
274.19357	10.4
277.19528	4.9
279.17453	7.0
281.18936	5.1
283.17175	2.6
285.18460	9.4
286.19254	16.3
287.20056	9.7
291.17438	3.0
294.19815	8.6
295.17136	2.5
295.20648	6.4
297.18491	3.6
298.19458	3.0
299.20139	14.7
303.19550	58.9
307.20734	4.0
309.22025	2.7
311.19977	3.9
312.20819	6.4
313.21555	17.7
319.20389	6.9
322.22672	2.9
325.21725	17.3
337.21594	10.8
347.23816	3.4
351.23203	3.0
352.23984	100.0
353.24316	3.0
359.23737	3.7
365.24823	18.2
377.24591	4.6
383.25781	5.7
420.29926	4.1
487.32001	3.7
502.34207	11.4
503.35117	6.7
505.33130	6.8
507.34946	12.2
508.35077	5.0
520.35449	38.7
567.37946	3.5
571.43756	2.7
582.40369	3.9
583.41479	3.2
585.39484	6.4
600.41327	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	4.5
53.03954	6.6
55.05507	14.5
57.07074	12.8
59.04996	3.8
67.05506	22.5
69.03423	11.5
69.07066	13.0
70.76296	6.7
79.05503	26.6
81.07063	28.1
83.04980	8.2
83.08633	6.0
85.06567	8.0
86.16861	3.5
91.05491	41.1
93.07050	55.4
95.04971	16.1
95.08608	35.1
97.06550	11.6
105.07027	66.5
107.05041	4.3
107.08596	46.6
109.06522	16.4
109.10140	15.2
113.09666	4.4
117.07028	15.1
119.08585	67.2
121.06489	13.3
121.10138	38.3
122.96698	3.8
123.08071	22.5
125.09604	7.2
128.06232	12.3
129.07030	20.6
130.07823	7.2
131.08546	30.9
133.06471	7.3
133.08681	4.8
133.10152	28.9
135.08075	22.8
135.11708	10.3
137.09656	14.3
139.07605	6.0
139.11227	4.4
141.06999	7.3
142.07782	19.6
143.08578	41.9
144.09373	9.3
145.06509	6.4
145.10147	53.4
147.08057	35.9
147.11684	10.6
148.08385	4.3
149.09631	16.5
151.07579	16.8
155.08539	13.4
156.09340	18.0
157.10130	57.9
158.10924	8.0
159.08098	9.9
159.11705	34.0
160.08719	4.4
161.09648	19.4
161.13312	9.8
163.11221	13.8
165.06989	7.9
165.09125	47.9
166.07930	5.7
166.09389	4.7
167.10719	9.6
168.09236	6.2
169.10110	20.0
170.10901	9.2
171.11667	41.6
172.12384	7.0
173.09639	10.9
173.13231	12.9
175.11177	22.8
177.12759	4.8
179.08511	7.9
180.09264	5.2
181.10120	15.2
181.12242	11.4
182.10945	6.5
183.11664	24.8
185.09587	5.6
185.13295	20.4
187.11162	9.4
189.12807	9.9
190.13506	9.9
193.10141	11.8
193.12193	7.6
194.10822	5.7
195.11693	20.3
195.13586	4.7
197.09695	5.6
197.13271	11.9
198.13745	5.5
199.11201	6.6
201.12729	4.9
203.14410	25.8
207.11774	7.7
207.13832	12.6
208.12524	4.6
208.14447	6.0
209.13225	18.2
209.15118	4.6
210.13974	5.7
211.11160	5.6
211.14867	10.9
212.11806	5.1
213.12820	11.0
215.14268	4.8
217.09933	4.5
219.13985	4.4
221.13283	11.8
221.15346	100.0
222.15764	17.6
223.14828	10.8
225.12747	11.2
231.13904	4.6
233.13329	7.4
233.15411	13.6
234.13965	5.0
234.16135	9.3
234.43709	4.1
235.14890	8.9
237.14630	25.6
239.18034	4.2
243.11545	4.4
247.17003	13.1
248.14162	6.2
249.16364	9.5
253.15872	7.8
255.17511	20.8
261.16217	5.4
274.19330	19.0
281.18768	6.0
285.78860	4.6
286.19232	7.8
287.20117	7.3
290.88699	4.6
294.19852	6.8
296.17844	4.7
297.18646	5.4
299.20084	17.9
301.19733	4.1
303.19592	38.6
310.18991	5.3
311.20074	5.0
312.20926	7.3
313.21634	18.3
325.21640	11.1
337.21616	7.9
340.14551	4.2
352.23969	82.5
365.24857	19.0
487.31973	7.7
491.61417	4.2
502.34421	9.4
503.35706	5.7
505.32742	6.1
507.34616	8.3
520.35535	39.4
567.37982	5.0
600.41644	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
53.65619	2.2
55.05503	10.5
55.75721	2.5
57.07080	17.0
59.04999	3.1
65.03905	3.1
67.05516	18.7
69.03422	11.0
69.07080	13.6
69.53832	13.3
70.06577	2.7
70.96017	2.2
71.04984	2.9
71.08635	3.4
79.05506	19.7
81.07061	23.3
83.04969	8.5
83.08623	8.9
85.06528	5.2
89.06021	10.3
91.05492	29.8
93.07049	39.5
95.00057	2.2
95.04977	13.0
95.08625	26.9
97.06525	7.6
97.10145	2.6
98.21571	4.4
103.05458	4.1
105.07042	55.8
106.07286	2.3
107.08607	29.0
109.06530	12.7
109.10201	11.6
111.08080	5.5
115.05466	3.1
117.07057	15.0
119.08595	68.9
121.06535	9.4
121.10156	23.5
121.90567	2.3
123.08096	21.2
123.11681	2.8
125.05984	8.5
128.06256	4.1
129.07021	9.4
129.78244	2.4
130.07841	3.7
131.08600	27.6
132.09421	2.6
133.06509	5.2
133.08588	4.3
133.10150	26.7
134.10931	3.1
135.08073	21.7
135.11684	10.9
137.05954	4.4
137.09662	14.0
139.07552	4.0
141.06937	5.5
141.67627	2.3
142.07748	7.4
143.08559	23.9
143.37665	2.6
143.70235	2.6
144.09335	7.0
145.06456	3.3
145.10136	44.6
147.08066	33.2
147.11673	4.8
149.09676	12.4
150.10394	3.0
151.07547	14.2
153.06937	4.3
154.07732	2.6
155.08580	13.7
156.09343	10.2
157.10155	40.2
158.10890	2.9
159.08092	7.6
159.11728	26.8
160.08832	5.3
161.09615	13.1
161.13287	4.1
163.11174	21.9
165.07086	3.3
165.07724	3.8
165.09131	51.3
166.09436	3.0
167.08516	4.4
168.09398	3.1
169.10162	17.5
170.10889	5.5
171.08069	3.2
171.11699	18.3
172.12399	2.5
173.09680	11.7
173.13260	10.3
175.11188	24.6
175.14735	3.5
177.09187	4.0
179.08548	4.9
180.11476	4.2
181.10114	9.2
181.12292	19.9
182.10898	4.6
183.11685	15.2
184.12459	3.7
185.13275	8.3
187.11214	6.4
187.14850	2.8
189.12753	8.3
190.13538	10.6
191.10741	6.5
191.14259	2.9
193.10310	5.2
193.12230	16.9
194.10947	5.0
195.11748	12.2
196.12488	6.7
197.09662	5.1
197.13316	12.3
199.11102	5.5
199.14883	3.9
201.12860	11.5
203.14297	23.0
206.10843	3.1
207.11755	6.5
207.13817	13.7
208.12578	5.7
208.14613	9.3
209.13264	10.4
211.11223	3.1
211.14751	8.0
213.12720	4.6
213.16521	2.7
215.14282	5.0
219.11739	3.0
219.13832	8.5
221.13322	6.9
221.15376	100.0
222.15707	10.5
223.11282	3.3
223.14789	8.1
225.12817	5.8
225.16411	2.8
227.40678	2.4
229.15932	3.0
230.82936	2.4
233.15341	4.9
234.16164	21.3
235.14783	4.7
237.12706	3.9
239.14360	3.2
239.17838	3.5
241.15831	3.0
247.16994	30.7
248.17630	3.6
253.15961	3.7
258.74579	2.6
259.17078	5.7
261.18610	3.7
265.15869	3.1
269.15411	3.6
274.19315	15.8
279.17294	3.9
283.26456	5.2
285.18399	4.3
286.19449	3.9
287.20081	11.6
297.18619	3.2
298.19312	3.2
299.20078	20.8
307.20953	2.5
312.20731	6.8
313.21576	8.4
325.21634	16.7
326.22363	4.0
327.23227	3.3
337.21609	4.9
339.23279	9.4
340.23972	16.9
352.24026	31.5
365.24994	5.7
379.26566	3.5
387.25247	4.6
392.26822	3.8
412.68317	2.5
413.26804	7.0
419.29453	12.9
425.26660	8.8
426.27747	4.3
427.28522	14.6
440.23575	3.4
440.29315	45.2
442.30640	4.8
507.34689	3.9
508.35049	6.5
520.35608	30.4
582.40552	3.6
585.38983	3.4
600.41553	35.8
600.55994	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	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
55.05512	3.6
57.07079	11.1
59.05008	2.7
64.39389	1.4
65.03930	1.7
67.05508	7.7
69.03428	7.2
69.07066	5.5
74.14385	1.6
79.05495	12.5
81.07057	17.4
83.04981	4.3
83.08604	2.0
85.06554	4.3
89.06034	2.2
91.05490	22.8
92.06272	2.6
93.07050	27.2
95.04985	8.9
95.08604	14.6
97.06526	4.6
97.60561	1.3
98.20789	2.6
103.05492	2.4
105.07037	36.1
107.08612	18.9
109.06522	7.7
109.10149	4.6
109.14957	1.2
111.08093	2.9
115.05468	2.3
117.07007	7.4
119.08586	43.6
120.09317	1.5
121.06522	5.0
121.10153	19.4
122.07310	1.6
123.08064	14.2
125.06001	9.3
125.09583	1.6
128.06216	3.5
129.07031	10.6
130.07784	4.6
131.08574	18.1
132.09378	2.1
133.06503	4.4
133.10139	19.1
135.08067	16.8
135.11693	6.9
136.08931	1.9
137.05959	1.8
137.09621	9.6
139.07574	2.1
141.07027	4.0
142.07780	9.1
143.08569	17.2
144.09349	4.9
145.06500	1.4
145.10133	29.2
145.11295	1.5
147.08051	23.4
147.11694	4.3
148.08711	2.0
149.09630	11.9
151.07544	6.7
151.11313	1.2
153.07037	1.3
153.09160	1.3
154.07738	1.7
155.08540	8.2
156.09349	6.6
157.10143	26.5
158.10867	5.1
159.08066	5.0
159.11713	16.8
160.12462	1.8
161.09628	11.9
161.13274	4.7
163.11191	14.6
164.11928	1.5
165.07066	2.7
165.09125	47.3
166.07855	1.3
166.09459	2.2
167.08575	4.8
169.10147	11.5
170.10890	5.2
171.08122	1.8
171.11688	12.6
172.08759	1.7
172.12448	3.9
173.09598	7.7
173.13251	8.0
174.10463	1.7
175.11188	18.9
176.11731	1.6
177.09145	3.1
177.12817	1.8
178.09921	2.1
179.08685	2.1
179.10641	3.1
180.09331	2.4
180.11423	3.8
181.10204	7.8
181.12234	17.6
182.10907	4.1
183.11719	14.8
184.12398	3.3
185.09482	2.8
185.13228	7.5
186.13901	1.5
187.11217	4.4
187.14824	3.2
188.11940	1.8
189.12784	9.4
190.13521	7.5
191.10658	5.0
192.09404	1.6
193.10173	4.3
193.12259	12.4
194.10916	4.9
195.11725	11.1
195.13545	2.3
196.12354	1.6
197.09654	2.1
197.13284	9.5
198.10385	2.0
199.11221	6.2
199.14864	2.8
200.11830	1.6
201.12744	7.4
202.01064	1.4
203.14313	19.4
204.14742	2.6
207.11774	4.0
207.13853	10.6
208.14537	7.0
209.13281	6.6
209.15219	2.4
210.13969	1.9
211.11116	2.6
211.14813	8.5
212.15558	1.6
213.12750	2.9
215.14423	1.7
216.15144	2.1
217.10205	1.6
218.10942	1.5
219.11890	1.9
219.13759	7.1
221.13445	4.4
221.15375	100.0
222.15744	9.2
223.11256	2.1
223.14876	4.7
225.12794	4.3
225.16437	3.3
227.14320	4.1
229.15901	2.6
231.13748	3.2
233.13329	2.2
233.15431	2.7
234.16153	22.8
235.16977	1.5
237.12807	3.8
237.16383	2.7
239.14349	2.5
239.17972	2.6
241.12238	1.5
241.15982	2.4
243.13843	1.7
245.15376	2.9
247.14542	2.9
247.16960	34.3
248.17581	4.2
249.16460	2.7
251.14316	2.3
251.17813	1.5
252.15286	1.7
253.15863	2.1
255.13725	1.5
257.15295	1.6
259.16968	5.1
261.18613	1.5
263.14249	1.4
265.15939	2.9
269.15369	2.6
269.18634	1.5
271.16977	2.8
274.19287	15.3
277.19312	1.5
279.17532	2.0
281.19110	3.2
285.18686	3.1
286.19370	4.3
287.20139	13.8
297.18561	2.6
299.20041	15.6
300.20764	2.3
307.20691	1.8
311.20084	6.8
312.20892	7.3
313.21719	6.1
323.20041	1.5
325.21640	14.1
327.23141	4.2
337.21646	3.8
339.23215	5.6
340.24014	14.7
352.23962	28.5
353.24664	2.4
363.23239	1.7
365.24765	5.9
366.25568	3.6
375.23434	1.6
377.24817	2.1
379.26236	4.0
387.25305	4.9
391.26370	3.1
392.26874	3.7
400.26187	1.9
402.27298	1.6
413.26959	6.3
419.29501	10.6
420.30002	3.5
425.27185	7.0
426.27487	4.0
427.23264	1.7
427.28516	14.4
428.28656	2.0
439.28064	1.3
440.29257	47.3
441.29633	1.6
442.30850	4.3
454.30222	2.6
494.34000	3.4
508.35251	6.3
520.35602	26.0
521.36053	2.8
582.40283	1.5
585.39233	3.9
600.41614	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48231	2.0
55.05512	8.6
57.07075	11.6
59.05008	3.5
67.05515	14.3
69.03436	7.2
69.07069	7.7
71.36050	2.1
79.05499	14.1
81.07060	21.8
83.04988	7.3
83.08615	4.0
85.06557	3.8
89.06020	4.9
91.05480	29.5
93.07047	35.5
95.04960	8.1
95.08627	19.1
97.06533	3.4
104.86288	2.0
105.07043	43.7
107.04971	4.1
107.08595	24.9
109.06508	13.8
109.10159	9.1
115.05483	2.4
117.07034	15.5
119.08595	53.2
120.09379	3.1
121.06498	7.9
121.10163	22.3
122.07285	3.1
123.08116	15.9
125.05998	10.0
128.06252	4.7
129.06978	11.1
130.07835	3.6
131.08574	21.4
132.09306	2.5
133.06525	2.5
133.10149	19.4
135.08083	16.8
135.11707	7.8
137.09633	9.9
139.07578	4.3
142.07774	9.8
143.08578	23.2
144.09343	6.3
145.06473	3.6
145.10150	33.5
147.08028	22.2
147.11684	9.5
149.09590	10.9
151.07552	7.1
153.07176	3.1
155.08560	7.9
156.09361	6.5
157.10158	30.9
158.10872	5.5
159.08066	7.8
159.11694	18.2
160.08841	3.3
161.09663	10.7
161.13261	5.4
163.11165	18.2
164.79823	2.2
165.09128	41.2
167.08585	6.2
168.09235	3.1
169.10126	15.2
170.10944	7.7
171.08058	3.6
171.11694	17.5
172.12479	3.3
173.09610	8.7
173.13274	9.3
175.11205	18.4
175.14914	3.2
177.09187	2.7
177.12732	2.2
179.08571	3.2
180.09303	2.3
180.11325	2.1
181.10181	5.8
181.12244	18.2
182.10965	5.1
183.11671	14.9
184.12511	2.9
185.09637	4.4
185.13284	10.9
187.11203	7.0
189.12764	5.5
190.13583	7.6
191.10741	5.7
191.14333	3.5
193.10265	5.3
193.12242	16.2
194.10944	3.7
195.11723	11.6
195.13686	3.0
196.12463	3.8
197.13304	15.1
199.11165	6.7
199.14903	4.7
201.12749	10.2
203.14287	17.9
206.11024	2.8
207.11650	4.5
207.13782	8.8
208.12654	2.8
208.14597	8.3
209.13251	8.5
211.11237	3.6
211.14854	6.0
213.12724	3.1
215.14351	6.2
219.13779	7.5
220.12561	3.1
221.13541	4.0
221.15382	100.0
222.15794	3.3
223.11131	2.6
223.14818	4.0
227.17876	2.6
229.15916	3.7
229.48941	2.4
234.16174	20.3
235.14766	5.1
237.12746	3.3
239.14218	2.9
241.16048	2.9
243.13838	3.4
247.14842	1.9
247.16983	33.9
249.16472	2.8
251.14429	4.0
253.15872	2.8
259.14749	3.0
259.17239	2.6
261.16190	2.6
271.16910	5.5
273.18497	3.0
274.19363	15.3
279.17404	3.2
283.16971	2.9
286.19272	2.4
287.20071	9.7
298.19135	2.3
299.20068	13.4
300.20834	3.1
310.19296	2.5
311.20288	4.2
312.20792	7.0
313.21677	8.6
325.21600	13.4
327.23047	3.4
337.21545	3.2
339.23239	4.5
340.24130	17.4
352.23978	27.2
355.18692	2.8
365.24881	6.7
369.20547	3.7
370.21017	6.0
379.26138	5.8
380.19388	5.2
387.25327	5.1
391.26205	4.2
392.27197	2.7
398.20297	3.7
402.27640	3.9
413.26944	5.5
419.29428	13.8
420.30206	3.8
425.20001	2.4
425.26962	6.9
426.19955	9.5
426.27423	3.0
427.28580	11.7
440.29199	46.0
442.30859	2.6
452.21536	6.2
457.25394	3.1
468.24567	3.0
494.33664	4.4
507.34882	2.9
508.35449	7.1
512.23621	6.3
513.24603	22.5
520.35413	37.0
522.22266	3.6
539.23059	3.4
540.23254	29.1
585.39404	3.6
600.25464	51.8
600.41443	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	600.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51283	0.5
81.03393	0.4
85.02897	1.5
87.89533	0.3
91.05459	1.1
97.02882	0.6
103.05494	0.3
105.07038	0.9
107.04959	0.7
115.05436	0.9
116.06229	0.4
117.07037	0.7
119.55511	0.3
128.06264	1.5
129.07019	4.3
131.04965	0.4
131.08566	5.5
132.05695	0.5
133.06522	0.8
133.10158	0.5
141.07005	1.6
142.07884	0.3
143.08540	0.8
144.05704	2.5
145.06491	1.6
146.07257	0.7
147.04398	0.3
153.01845	0.7
155.05997	0.4
156.05669	0.5
157.06468	2.6
158.07277	0.4
159.08069	9.9
161.06003	1.0
161.09639	2.0
167.07022	0.5
169.07631	0.7
170.07242	1.5
171.08086	1.6
172.05162	0.9
173.05978	1.4
174.06708	0.6
175.07579	0.6
180.08682	0.6
187.07568	7.1
188.08269	0.5
189.09140	3.4
198.06871	0.6
199.07565	1.2
203.06979	1.7
204.07823	4.2
205.08571	0.9
206.09448	0.5
216.07861	1.4
218.09416	0.7
219.10239	1.8
221.08240	0.4
221.11736	1.5
231.10162	2.9
234.08853	0.5
237.11195	0.9
249.11234	100.0
250.11534	1.2
267.12317	2.8
285.07697	0.3
286.08051	0.6
292.62650	0.3
332.65161	0.3
390.43539	0.4
391.94583	0.3
411.16763	0.4
431.53516	0.3
458.84698	0.3
505.11414	0.3
570.43701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48522	3.6
52.06428	3.1
53.03919	2.8
55.05528	4.6
57.07064	11.3
59.05006	3.7
65.11909	3.0
67.05520	15.3
69.03448	7.2
69.07059	5.2
71.84404	3.0
72.69296	2.9
77.03954	3.0
79.05499	15.8
81.07046	19.1
83.04987	4.1
85.06557	5.4
89.06056	6.3
91.05486	27.3
93.07041	35.2
95.05003	6.4
95.08594	20.8
97.06526	7.8
98.21546	6.2
105.04506	4.7
105.07036	42.6
107.08600	28.3
109.06544	7.5
109.10114	7.5
111.04454	3.0
117.07019	11.6
119.07801	4.9
119.08588	50.7
121.06483	6.5
121.10155	22.8
123.08057	21.4
123.11732	3.7
125.05994	11.7
129.07008	10.5
131.08560	21.8
132.09425	3.7
133.06456	3.6
133.08649	4.6
133.10126	21.1
135.08055	23.0
135.11670	8.6
136.08861	4.5
137.05965	3.8
137.09625	14.1
139.07523	4.1
142.07768	13.2
143.08553	24.5
144.09338	4.8
145.10136	43.9
147.08035	27.5
147.11760	6.0
149.09613	14.1
151.07545	9.2
155.08533	11.5
156.09308	10.5
157.10147	33.7
158.10921	6.9
159.08073	5.7
159.11696	28.9
161.09650	12.8
161.13251	7.0
163.11182	21.0
165.09113	47.2
168.09343	4.1
169.10153	16.3
171.08078	3.8
171.11659	19.3
172.08894	3.4
172.12456	6.3
173.09624	9.3
173.13248	11.0
175.11186	20.7
177.09097	4.9
180.11517	5.0
181.10156	8.1
181.12245	22.4
182.10953	5.0
183.11725	15.3
184.12392	3.6
185.13239	10.5
187.11189	6.5
187.14738	5.8
189.12766	9.1
190.13522	11.2
191.10635	4.4
193.10536	3.4
193.12187	15.8
194.11108	4.3
195.11693	6.4
197.09644	5.8
197.13297	13.3
199.11169	4.5
199.14886	4.1
201.12767	11.5
203.14360	17.5
207.11916	4.8
207.13818	11.6
208.14583	8.8
209.13326	8.6
211.14771	7.9
219.11697	3.6
219.13817	10.9
221.13324	7.6
221.15358	100.0
223.11093	4.2
223.14888	3.9
225.12737	3.7
229.54642	3.8
233.15343	5.3
234.14139	3.9
234.16167	21.8
236.15259	3.6
237.12814	5.4
237.16621	4.6
241.15845	7.8
243.13708	4.0
245.15352	3.9
247.14731	4.9
247.16924	26.9
259.17004	4.4
274.19241	19.2
279.17334	4.2
281.19012	3.3
286.19214	7.9
287.19943	14.7
299.20154	19.8
311.19897	5.4
312.20804	9.0
313.21649	5.1
325.21701	15.5
327.22958	4.0
339.23404	7.2
340.23969	22.3
351.23370	3.6
352.23926	34.5
365.24753	8.8
366.25369	4.8
379.26239	8.3
387.25409	5.8
391.26120	6.5
413.26953	4.7
419.29413	11.5
420.30063	5.7
425.26755	10.4
426.27481	6.5
427.28717	17.6
440.29144	53.5
508.35583	5.7
520.35419	36.8
521.36511	4.9
551.57574	3.3
585.39502	5.6
600.41010	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	599.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01584	1.4
53.03942	7.2
55.01874	14.2
55.05512	31.0
57.03439	14.7
57.07079	8.2
59.04992	4.3
64.10609	1.3
65.03921	4.9
66.19676	1.2
67.05507	100.0
69.03432	28.7
69.07072	10.2
71.01346	3.7
71.04997	7.2
71.51856	2.2
73.02899	2.4
79.05077	2.0
79.05499	30.7
81.03424	74.3
81.07062	38.9
82.04233	1.5
83.04984	18.5
83.08630	14.5
85.02911	11.1
85.06545	3.4
87.04464	1.5
91.04910	1.8
91.05486	34.1
93.07045	22.1
95.04980	16.2
95.08615	12.4
97.02897	27.3
97.06538	5.6
97.10175	13.4
98.07316	2.2
99.04454	6.4
101.02366	2.1
105.07043	17.9
107.04967	6.5
107.07970	1.6
107.08611	16.3
109.02891	9.0
109.06519	4.2
109.10165	63.4
111.04438	10.5
111.08073	5.5
115.03938	3.0
115.05438	2.8
117.07034	5.5
119.08575	15.4
121.06484	2.6
121.10162	9.1
123.04374	1.6
123.08042	2.4
125.09637	14.2
127.03920	8.1
127.11201	2.4
128.06213	1.3
129.05473	2.8
129.06998	5.3
131.08597	8.9
133.06500	2.1
133.10132	10.1
135.04384	1.6
135.08067	2.1
135.11691	3.7
137.05875	1.4
137.09624	6.5
141.06889	1.5
142.07787	2.6
143.03380	4.5
143.08589	1.7
145.10139	7.2
147.08054	2.1
147.11667	5.5
149.09659	3.8
151.11133	2.0
153.09158	1.3
153.12772	1.6
155.10657	6.0
157.10133	4.6
159.11674	2.2
163.11188	4.9
165.12753	2.0
167.10699	2.4
169.10173	1.5
171.06552	3.5
171.10124	1.6
173.04485	2.4
173.11783	17.3
175.11163	4.7
177.12703	2.1
183.06384	1.9
189.11208	5.5
191.10620	3.3
193.12175	7.8
199.05972	2.9
205.12177	1.5
209.11690	3.1
211.13286	6.0
213.11215	2.1
217.54155	1.3
221.15474	1.4
223.13271	1.8
227.12799	6.8
229.14400	6.8
233.15411	1.6
267.15942	2.2
282.93454	1.4
283.15460	2.1
299.14972	6.0
303.91003	1.5
355.17508	4.1
383.24234	1.7
427.19519	3.1
437.25052	2.4
455.26318	1.5
581.29126	2.0
582.29895	1.6
599.30609	25.5
599.40570	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	599.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93726	1.8
53.03937	6.2
55.01880	15.0
55.05518	31.5
57.03447	9.9
57.07078	5.6
59.05000	4.1
65.03947	4.2
67.05511	100.0
67.82151	1.6
69.03432	26.6
69.07079	9.0
69.67854	1.5
69.88692	1.5
71.01348	4.1
71.05002	9.1
72.04610	1.4
77.24328	1.4
79.05502	30.7
81.03423	62.6
81.07059	34.3
83.04993	22.1
83.08625	16.7
83.21097	1.5
84.45406	1.8
85.02897	8.7
85.06549	4.2
91.05484	31.0
93.07053	24.4
95.04988	15.8
95.08609	13.3
97.02907	22.9
97.06535	5.3
97.10165	14.2
98.20721	3.9
99.04456	6.5
103.03949	2.2
105.07037	16.3
107.04955	7.6
107.08592	18.6
109.02889	10.3
109.06518	5.7
109.10164	57.8
111.04469	15.5
111.08111	8.5
117.07014	7.3
119.08585	16.0
121.06503	2.2
121.10191	9.1
123.04440	3.1
123.08078	4.2
123.11717	3.5
125.09657	13.6
126.47380	1.9
127.03929	11.7
127.11175	4.2
128.06219	1.8
129.05479	4.3
129.07021	6.1
131.08548	8.6
133.06516	2.7
133.10124	8.5
135.08055	2.5
135.11722	5.7
137.09642	5.3
139.11122	2.1
142.07822	3.5
143.03352	3.2
145.10162	5.1
147.08112	3.0
147.11700	7.0
149.05934	1.7
149.09631	4.0
153.09142	2.1
155.08560	2.3
155.10667	5.4
157.10138	3.2
159.07991	1.8
163.11201	8.1
165.12729	2.1
166.21156	1.6
167.10771	1.7
169.10048	2.2
171.10321	2.2
171.11754	2.2
173.04532	5.2
173.11728	15.5
175.11325	3.2
181.12297	2.5
183.06566	3.9
183.11716	2.1
189.11201	7.4
191.10594	3.8
193.12227	6.6
199.06039	2.0
209.11768	7.8
211.13272	6.9
221.15489	2.4
223.13330	2.0
227.12854	10.8
229.14317	9.7
233.15498	1.7
235.61580	2.0
239.55960	1.8
245.13881	2.9
255.15999	1.9
283.15448	6.5
299.14893	6.6
355.17554	2.8
427.19409	4.0
462.49979	1.9
581.29022	3.3
599.30096	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	599.1398
Annotation	Pterogynoside
Peak:m/z	Relative Intensity
51.02386	0.2
53.03935	0.7
55.01864	0.4
57.03450	0.3
60.10126	0.2
65.03941	2.1
66.04159	0.2
67.05508	1.6
68.99802	0.3
69.52818	0.3
69.53230	1.3
73.55078	0.2
74.09692	0.3
77.03925	0.2
81.03427	0.3
85.02911	0.5
93.03405	1.0
95.01382	0.2
95.04971	1.0
97.02891	0.4
99.04510	0.3
104.16968	0.2
105.03381	0.3
105.04537	0.3
107.04978	0.4
108.02102	2.1
109.02898	0.6
111.00807	0.7
111.04453	0.9
112.01527	0.3
119.04966	0.3
121.02887	1.9
125.06013	0.8
132.97935	0.2
133.02847	0.4
136.01535	0.5
137.02359	0.6
141.05464	1.8
147.04428	0.4
151.03911	100.0
151.04993	7.7
151.37045	0.2
152.04259	0.9
153.01819	2.6
157.06516	0.3
165.01823	1.4
169.04898	0.6
183.02893	0.4
198.69553	0.2
211.81650	0.2
213.05457	1.3
226.05740	0.2
231.06615	0.5
241.04951	0.6
253.07277	0.2
258.05295	0.7
287.05508	59.9
288.05923	0.8
295.08249	0.3
313.09189	4.4
329.06577	1.0
395.07574	0.3
585.78833	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	599.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01876	0.7
57.03457	0.3
65.03945	3.2
67.05509	1.6
68.99810	0.6
69.03434	1.8
71.05012	0.3
73.02917	0.2
81.03426	5.4
85.02917	1.6
85.84373	0.3
88.29611	0.2
93.03422	2.8
95.05000	1.1
97.02887	1.6
99.04467	0.6
105.03413	0.2
108.02110	1.7
109.02908	1.9
110.03658	0.3
111.00745	0.4
111.04465	1.9
121.02879	1.1
121.03980	0.3
125.06009	2.5
127.03915	1.2
137.02362	0.4
141.05479	1.3
145.04987	0.3
147.04413	0.4
151.03920	100.0
151.05009	7.4
152.04268	0.5
153.01848	1.9
165.01843	0.9
169.04980	8.0
183.02879	0.4
213.05412	0.6
231.06543	0.3
258.05402	0.4
287.05518	34.9
288.05945	0.3
295.08176	8.2
313.09238	2.2
318.96329	0.2
329.06641	0.4
434.77472	0.3
567.21643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2503
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
53.03971	0.8
55.05503	3.0
55.91871	0.7
57.03440	0.8
67.05502	3.5
69.07066	3.0
70.91199	1.5
71.08644	0.8
76.21586	0.7
79.05492	2.7
81.07053	5.0
83.04958	1.0
83.08633	1.6
85.06525	0.7
89.06042	1.5
91.05489	2.8
93.07046	3.5
95.04961	1.7
95.08605	3.4
97.06610	0.9
97.10151	0.8
105.07033	2.6
107.08641	2.4
109.10139	1.7
117.07024	1.1
119.08593	3.0
121.10155	1.4
123.08085	0.8
123.11714	0.9
129.07014	1.4
131.08606	1.1
133.08667	1.0
133.10158	2.2
135.11696	1.0
141.07018	1.1
142.07683	0.8
143.08554	1.0
145.10159	2.6
147.08020	1.4
147.11731	1.0
149.94197	0.7
157.10156	1.3
159.08118	0.8
159.11693	1.3
163.11180	1.4
165.09137	1.3
171.11621	1.2
173.13266	1.1
181.10120	0.9
197.09259	0.9
200.93657	0.8
207.09100	0.8
208.09940	0.9
209.13237	0.9
221.10707	1.5
221.15370	1.9
222.11504	1.2
223.12415	2.0
225.13968	0.9
233.10789	0.9
235.12302	2.2
236.13232	1.5
237.13860	3.6
238.14684	1.6
247.12460	1.3
249.10249	1.8
249.13921	2.5
250.14729	0.9
251.11865	1.9
251.15584	1.3
261.13828	2.1
264.12570	1.3
274.13861	0.9
279.14905	1.6
299.14188	1.2
300.15005	1.1
314.16510	3.3
324.14911	1.7
325.14542	1.5
326.16147	0.8
329.18854	1.3
330.19724	2.5
337.14752	0.9
338.16147	2.6
339.16055	5.2
340.17484	3.0
342.19595	1.0
349.14670	1.1
350.16275	1.6
351.16461	1.5
352.18204	3.5
353.17776	7.1
354.18488	8.8
358.19144	2.3
361.15155	0.9
363.16003	2.0
364.17038	3.3
365.17896	3.9
366.19009	1.7
367.15494	1.5
367.19360	3.4
368.20190	2.6
369.20786	23.0
370.21527	1.1
375.16284	0.9
377.17957	1.8
379.19418	11.1
380.20395	1.7
381.17212	2.8
381.21295	1.5
382.17923	2.5
384.90054	0.8
389.17929	1.3
391.19852	2.0
393.21066	1.7
394.18182	1.1
395.18500	2.1
395.22839	1.0
397.20273	9.2
405.16849	1.7
407.18243	1.8
407.22842	1.5
408.19412	1.2
409.20227	4.5
410.18307	1.2
419.18588	1.0
421.20667	1.3
423.21869	3.3
425.19733	29.5
425.25226	1.7
426.20828	1.9
427.21408	1.5
429.20120	0.8
433.20142	2.3
437.19724	2.6
438.21393	0.9
439.21320	1.3
440.22427	0.9
441.22891	2.8
444.22858	1.7
447.18140	0.7
449.19574	1.2
450.20673	0.8
451.21393	20.1
452.22293	3.7
453.19458	3.5
455.24869	4.7
456.25595	6.8
461.19751	3.3
462.20624	4.2
463.21283	1.0
465.23315	1.7
467.24368	3.2
468.21942	1.8
469.22342	3.6
479.20801	1.5
480.21588	1.6
483.23892	4.6
484.24774	8.0
493.22827	1.0
495.23743	2.4
497.22247	3.8
511.23679	5.7
512.24255	53.6
513.24707	2.3
521.22009	4.9
539.22900	61.9
540.23383	2.9
555.26154	1.7
566.19684	1.7
571.25360	1.2
581.23846	1.9
582.22296	4.6
592.73456	0.8
599.25043	100.0
599.40894	2.7
600.25372	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	598.432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01350	2.8
53.03942	7.6
55.01880	5.9
55.05511	24.0
55.24491	2.9
57.03442	10.6
57.07072	7.4
60.86580	2.6
67.05180	5.6
67.05511	81.5
69.07076	23.6
69.11082	2.6
71.05002	7.3
71.08627	10.5
74.18610	3.0
79.05083	3.7
79.05505	54.4
81.03432	7.1
81.07064	87.4
83.04993	13.6
83.08624	17.5
84.04517	9.7
85.06546	7.3
88.11404	2.7
91.05493	40.7
93.07055	77.3
95.04980	11.9
95.08620	34.3
97.06514	17.1
97.10175	4.9
99.08106	13.6
103.80920	3.1
105.07037	22.6
107.08598	36.8
109.06533	3.1
109.10162	13.7
111.08108	9.0
117.07021	13.0
119.08583	15.3
121.06529	3.4
121.10144	23.1
123.08110	4.4
123.11754	5.5
125.09663	2.9
129.07045	4.7
131.08583	14.3
132.55679	2.7
133.10170	18.3
135.11699	13.0
143.08600	3.6
145.10133	10.3
147.11681	10.6
149.09633	5.0
149.13283	36.6
151.11203	16.2
155.08604	3.4
157.10173	6.3
159.11708	18.8
161.13298	7.4
163.11205	11.9
169.10139	3.6
171.11748	5.3
177.12779	9.9
179.14259	4.2
195.13782	18.3
214.74889	3.0
227.12778	4.0
241.19536	4.1
259.20563	8.5
269.17502	63.8
277.21555	15.2
351.25537	16.6
363.52133	2.9
463.30606	100.0
545.38171	14.8
580.41650	3.6
598.40796	3.2
621.18188	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	598.432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01350	2.8
53.03942	7.6
55.01880	5.9
55.05511	24.0
55.24491	2.9
57.03442	10.6
57.07072	7.4
60.86580	2.6
67.05180	5.6
67.05511	81.5
69.07076	23.6
69.11082	2.6
71.05002	7.3
71.08627	10.5
74.18610	3.0
79.05083	3.7
79.05505	54.4
81.03432	7.1
81.07064	87.4
83.04993	13.6
83.08624	17.5
84.04517	9.7
85.06546	7.3
88.11404	2.7
91.05493	40.7
93.07055	77.3
95.04980	11.9
95.08620	34.3
97.06514	17.1
97.10175	4.9
99.08106	13.6
103.80920	3.1
105.07037	22.6
107.08598	36.8
109.06533	3.1
109.10162	13.7
111.08108	9.0
117.07021	13.0
119.08583	15.3
121.06529	3.4
121.10144	23.1
123.08110	4.4
123.11754	5.5
125.09663	2.9
129.07045	4.7
131.08583	14.3
132.55679	2.7
133.10170	18.3
135.11699	13.0
143.08600	3.6
145.10133	10.3
147.11681	10.6
149.09633	5.0
149.13283	36.6
151.11203	16.2
155.08604	3.4
157.10173	6.3
159.11708	18.8
161.13298	7.4
163.11205	11.9
169.10139	3.6
171.11748	5.3
177.12779	9.9
179.14259	4.2
195.13782	18.3
214.74889	3.0
227.12778	4.0
241.19536	4.1
259.20563	8.5
269.17502	63.8
277.21555	15.2
351.25537	16.6
363.52133	2.9
463.30606	100.0
545.38171	14.8
580.41650	3.6
598.40796	3.2
621.18188	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	595.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01860	5.2
55.05519	17.0
57.03445	11.3
57.07089	1.9
61.79406	1.7
65.03948	2.2
67.05509	57.8
69.03420	4.3
69.07069	13.4
70.66539	3.4
70.66867	1.7
71.04995	4.4
79.05071	2.8
79.05499	34.9
79.46138	1.4
81.02986	2.1
81.03425	22.7
81.07065	49.5
83.04969	5.3
83.08630	8.9
85.02921	6.0
85.06562	2.6
87.04472	2.1
88.73219	1.8
90.98724	1.5
91.05487	22.4
93.07051	35.6
94.77842	1.7
95.04962	6.4
95.08618	33.9
97.06537	5.2
97.10149	4.8
98.98468	28.2
99.04414	1.8
99.08109	2.1
105.07040	13.7
107.04958	2.8
107.08601	18.3
109.02879	13.1
109.06505	3.9
109.10170	20.5
111.04469	2.0
111.08129	2.5
117.06998	6.4
118.32412	1.7
119.08589	12.6
121.06451	2.8
121.10154	13.9
123.08029	2.9
123.11691	5.8
125.09615	2.1
127.03915	1.8
129.06992	2.1
131.08574	8.5
133.10112	9.8
135.08031	2.1
135.11708	11.7
137.09662	2.0
139.11180	2.0
143.08571	2.5
143.20166	1.7
145.10139	5.9
147.11699	5.1
149.09636	2.2
149.13260	5.2
151.11211	2.5
155.01076	2.4
155.10764	2.1
157.10147	3.3
159.11693	3.4
161.13316	3.2
163.06017	1.8
171.11710	1.9
173.13281	2.9
179.14235	2.1
187.14807	1.6
193.12212	2.8
211.13222	2.0
227.12926	2.3
229.14336	1.6
243.21057	2.0
254.42300	1.6
261.03748	10.0
261.22198	5.6
277.21506	2.6
287.05576	2.8
293.21014	1.6
308.89032	1.7
335.07602	1.8
335.25836	100.0
363.37390	1.9
398.26337	1.7
505.34540	2.0
577.36609	3.7
595.31689	6.0
621.40131	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	595.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30703	0.7
54.34192	0.6
55.05504	0.8
57.03440	0.7
57.07063	2.4
61.44855	0.6
67.05494	2.5
69.07072	1.5
70.11117	2.5
71.08631	2.1
72.78891	0.6
79.05492	1.8
81.07039	3.4
83.08619	0.9
85.10161	0.9
89.06024	1.6
91.05449	1.3
93.07046	2.4
95.08601	3.1
102.52902	0.6
105.07019	1.3
107.08553	1.5
111.06889	0.7
117.06989	0.7
119.08577	0.8
121.10162	0.9
121.74622	0.7
133.08688	1.1
133.10030	0.9
147.11661	0.8
149.09605	0.8
154.76508	0.6
159.71260	0.7
183.11636	0.7
283.15134	10.6
313.27264	0.9
339.17783	5.9
353.37418	0.8
595.41748	100.0
596.42297	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.1
53.04173	1.4
55.01849	1.7
55.05519	16.2
56.63671	1.6
57.03423	6.1
57.07071	4.2
60.31303	1.5
65.03924	2.4
67.05509	67.8
68.57809	1.5
69.07076	12.4
70.06582	2.0
71.04999	16.9
71.08640	1.8
79.05494	40.1
81.03400	1.7
81.07063	100.0
83.04971	3.2
83.08603	9.1
84.48058	1.8
85.06528	5.9
88.07612	3.1
91.04975	2.6
91.05491	31.1
92.54431	1.4
93.06490	2.5
93.07047	40.7
95.04971	3.0
95.08079	2.0
95.08617	27.0
95.42082	1.5
97.06538	4.1
98.20699	3.0
105.07024	17.8
107.08598	22.1
109.06527	1.8
109.10186	12.6
117.07023	6.4
119.08566	9.5
121.10139	14.6
123.11719	9.2
129.06982	2.4
131.08583	8.2
133.10135	14.3
135.11728	10.4
141.07103	1.8
145.10127	5.1
147.11674	4.4
149.13255	4.1
151.11183	4.4
157.10164	2.1
159.11646	7.4
161.13248	2.5
163.14845	1.9
173.13226	3.2
177.12856	2.0
183.13841	2.5
187.13242	5.0
201.16470	1.5
203.14116	1.6
227.16389	2.1
229.50974	1.8
259.20660	1.7
269.17532	3.5
301.20096	16.5
311.29407	3.6
312.32800	2.3
335.25803	36.7
485.35812	1.7
503.37360	94.8
517.38812	4.4
529.38733	3.7
561.41498	46.4
596.38397	3.6
596.47357	6.5
596.59033	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	597.215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	7.7
57.03437	2.0
59.49144	2.1
69.03433	5.2
69.58405	9.8
69.58823	4.8
73.96684	2.7
75.99179	2.2
78.04388	2.2
85.02904	9.3
97.02894	4.6
98.97591	11.8
110.06035	9.6
110.97590	2.9
112.07633	15.6
116.98636	3.0
122.61486	2.2
123.04429	2.3
127.03934	2.7
144.05067	2.5
152.05566	2.9
153.01836	13.2
158.06644	22.8
158.99646	5.5
168.03560	2.3
168.05060	2.9
170.06670	7.1
176.07712	9.7
177.00722	3.0
186.04428	6.0
186.06174	7.7
188.07687	20.8
194.06726	3.5
203.04099	2.5
212.07678	25.7
219.01791	6.6
224.07684	26.0
225.10930	12.3
226.09267	15.0
230.08824	3.2
231.89397	2.4
236.07668	9.3
237.02756	4.1
242.08752	2.8
251.12480	43.0
254.08644	3.8
258.06192	9.3
263.12335	20.1
269.13486	16.5
276.07123	23.6
281.13501	97.0
288.07245	11.4
296.09805	10.3
303.01340	4.2
306.08258	100.0
314.10861	45.3
324.09433	16.1
339.05615	2.7
388.97461	2.9
450.12387	3.8
454.75388	2.4
468.13580	45.8
486.14496	29.3
486.21240	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	597.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.9
55.01865	6.8
55.05514	34.9
57.03435	10.3
65.03932	9.1
67.05510	100.0
69.03427	29.3
69.07054	21.2
69.51585	25.5
71.04981	11.3
77.03948	5.5
79.05499	68.5
81.03434	46.9
81.07066	56.9
83.04991	34.9
83.08617	18.9
85.02918	9.9
85.06539	4.7
91.05484	60.0
93.07051	61.3
95.04975	21.3
95.08621	37.4
97.02880	13.2
97.06520	10.4
97.10187	12.5
98.21483	8.6
98.98478	5.8
99.04450	6.1
105.07040	49.5
107.04959	11.1
107.08607	26.9
108.61415	3.6
109.02884	12.5
109.06516	12.3
109.10155	54.7
110.38531	4.2
111.04450	11.0
114.16582	3.6
117.07012	12.1
119.08587	32.9
121.06511	8.8
121.10189	18.3
123.08073	8.4
125.09648	16.0
127.03923	11.0
129.05489	13.7
129.07011	18.3
131.08577	17.8
133.10136	19.8
135.08058	9.9
135.11664	5.8
139.11180	5.4
143.08521	10.7
145.10124	19.0
147.08081	5.3
147.11697	29.1
149.09641	5.6
149.13211	4.6
155.08571	4.9
155.10703	5.4
157.10118	13.8
159.11774	5.1
161.09688	6.8
161.13274	11.8
163.11188	6.5
167.10707	6.9
169.10146	6.8
171.11723	23.8
173.04485	4.3
173.11777	10.5
173.13275	7.7
181.10240	6.7
181.12010	4.5
185.13229	5.2
189.11217	9.4
189.12772	10.5
190.13579	3.6
197.13214	5.9
207.12024	5.2
207.13802	28.1
215.14362	4.3
219.11636	5.3
221.13309	3.9
221.15477	5.4
225.14734	4.1
227.12837	8.2
229.14307	9.2
231.11647	4.4
233.15413	6.4
281.17532	43.6
299.14996	8.2
301.63223	4.1
337.27393	15.0
373.18506	24.8
435.27466	54.8
579.31287	46.8
597.39764	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	598.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	3.3
70.06590	5.3
71.50960	2.7
71.51346	2.3
72.91557	1.7
75.80885	1.8
78.13557	1.8
79.05470	4.7
81.03011	2.4
81.03407	13.6
85.02927	12.7
91.05483	5.1
93.07047	2.1
95.04942	3.2
96.08081	1.8
97.02873	6.0
103.05466	4.1
105.07045	4.3
107.04955	7.1
108.13500	1.9
115.05455	7.8
117.07014	14.3
123.04430	3.4
124.05180	3.0
127.03887	2.8
129.07034	3.5
131.08549	3.0
133.06448	4.1
144.05730	2.7
145.04913	3.4
145.05315	3.0
145.06508	33.5
153.01822	4.8
155.06015	6.3
156.05711	8.3
159.08043	4.2
161.06001	4.6
165.67441	2.2
167.07047	55.2
173.05998	73.1
180.08698	3.5
184.05060	2.2
187.07544	8.0
190.06270	36.3
193.08597	2.7
193.99803	2.5
202.06302	2.6
203.07054	5.8
205.08617	100.0
217.08611	44.7
218.09007	2.4
219.08127	2.7
219.10149	5.0
223.09608	2.8
229.08687	3.4
235.09688	25.9
247.07375	2.7
247.09697	6.1
265.08481	2.3
265.10791	23.6
271.09589	3.1
307.09717	2.4
315.08606	5.8
330.11011	7.2
331.11758	4.1
351.12234	3.3
371.14880	2.8
383.14856	7.1
401.16177	10.1
438.59491	2.5
532.57123	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	595.1662
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03968	0.3
57.03443	1.5
57.25834	0.3
60.15378	0.3
61.02916	1.4
68.99799	0.8
69.03424	0.6
70.87751	0.3
71.04997	11.1
71.42061	0.5
73.02899	0.9
73.94168	0.3
74.98609	0.3
83.05000	0.6
85.02911	14.0
88.75431	0.3
91.03957	0.6
97.02898	0.7
99.04523	0.4
107.04910	0.5
111.00805	0.8
111.04484	0.3
121.02872	2.3
127.03915	0.6
129.05498	3.4
133.02847	0.5
137.02347	0.7
142.55388	0.3
145.05026	0.4
147.04424	0.6
147.06535	1.4
153.01839	3.4
157.06441	0.5
165.01840	1.0
183.02847	0.7
185.05867	0.3
191.80849	0.4
213.05437	1.4
231.06552	0.6
241.04942	0.6
258.05203	1.1
287.05518	100.0
288.05878	1.2
299.05585	1.0
329.06467	1.2
353.06635	0.8
449.10809	1.2
488.76987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1659
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.27746	0.4
54.31547	0.4
57.03439	1.9
61.02945	0.4
64.51761	0.4
68.99765	0.6
69.03414	1.0
71.05000	12.2
71.42982	0.5
73.02905	0.7
75.04459	0.4
75.25626	0.4
81.03401	0.4
83.04974	0.8
85.02911	15.9
87.04439	0.6
97.02899	1.0
111.04376	0.5
121.02879	2.1
122.13757	0.4
127.03902	0.5
129.05457	3.4
133.02884	0.4
137.02353	0.4
141.24112	0.4
145.04987	0.8
147.04427	0.4
147.06543	1.1
149.34698	0.4
153.01839	3.0
165.01802	1.1
183.02858	0.5
185.06036	0.6
213.05467	1.0
216.27652	0.4
231.06587	0.5
234.50082	0.4
237.26459	0.4
241.04968	1.3
258.05246	1.0
287.05521	100.0
288.05795	1.2
329.06482	0.6
449.10934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	Datiscin
Peak:m/z	Relative Intensity
57.03440	2.0
61.02921	0.6
68.99801	0.5
69.03431	0.9
70.85043	0.7
71.04998	10.2
75.04460	0.4
77.33282	0.3
81.03419	0.6
82.98523	0.3
83.04991	0.5
85.02913	12.8
93.54922	0.3
97.02884	1.3
107.01323	0.3
111.00842	0.6
111.04489	0.5
114.69746	0.3
115.19090	0.3
116.51424	0.3
121.02872	2.3
127.03902	0.8
129.05496	3.1
137.02339	0.7
145.04944	0.6
147.04453	0.4
147.06479	0.9
153.01828	2.8
165.01860	1.5
180.00580	0.3
183.02910	0.5
185.06065	0.6
213.05486	0.8
231.06442	0.7
241.04987	0.8
258.05209	1.0
287.05521	100.0
288.05795	1.6
299.42859	0.4
329.06543	0.7
362.56161	0.3
405.77563	0.3
449.10938	0.5
529.78882	0.3
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	Datiscin
Peak:m/z	Relative Intensity
57.03429	1.8
61.02923	0.6
68.99802	0.5
69.03419	1.4
69.48428	2.3
71.04996	10.9
81.03411	0.7
82.40759	0.4
85.02907	14.3
91.62781	0.4
97.02882	1.2
98.21485	0.8
99.05416	0.4
109.02884	0.6
111.00829	0.6
117.13533	0.4
121.02860	1.9
121.03814	0.5
127.03920	0.8
129.05486	2.9
133.02853	0.7
137.02361	0.6
147.04465	0.5
147.06538	0.8
153.01851	2.5
165.01872	1.4
177.85869	0.4
183.02946	0.6
213.05492	1.2
231.06631	0.7
241.04941	0.9
258.05145	0.9
287.05508	100.0
288.05820	0.8
464.58456	0.5
516.31354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1453
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
50.90876	0.2
55.05487	0.3
62.06910	0.2
65.03929	1.4
68.99797	0.5
69.03432	0.4
69.63192	0.5
69.63606	0.8
72.08159	0.3
79.05491	0.3
81.03434	0.7
81.07083	0.3
85.02909	0.5
86.75413	0.2
91.05485	10.5
95.04955	0.2
95.80580	0.2
97.02894	0.5
98.20837	0.4
105.03398	0.3
105.07085	0.3
105.08125	0.2
107.04950	0.7
109.02871	0.4
111.00791	0.4
112.93037	0.3
119.04949	23.9
121.02879	1.9
127.03889	0.2
128.88194	0.2
133.02812	0.2
135.04434	0.4
137.02354	0.9
137.09633	0.3
145.06479	0.3
147.04416	100.0
148.04755	0.7
153.00713	0.4
153.01831	3.9
157.06543	0.3
161.02341	0.5
165.00569	0.2
165.01871	1.0
165.05508	0.5
183.02878	0.4
193.12256	0.3
213.05476	0.6
219.06618	0.3
229.05084	0.3
231.06534	0.5
241.04912	0.8
243.06625	0.2
258.05246	0.8
287.05511	73.1
288.05838	0.8
291.08557	0.7
309.09720	3.3
329.06534	0.8
476.40274	0.3
483.07220	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06403	0.3
53.03954	0.3
55.20656	0.3
56.27335	0.3
61.02914	0.3
65.03927	1.5
67.05501	0.3
68.99826	0.4
69.03436	1.0
70.13206	1.3
71.04977	0.3
74.09722	0.3
75.72194	0.3
79.05530	0.2
81.03426	1.6
81.07082	0.4
85.02899	0.9
91.05483	15.6
93.07081	0.3
97.02886	0.6
105.03363	0.4
105.07027	0.3
107.04927	0.6
109.02883	0.6
109.06534	0.3
109.10160	0.3
111.00791	0.5
119.04945	30.2
121.02875	2.4
127.03934	0.7
135.11667	0.4
137.02338	0.5
145.06534	0.4
145.10068	0.3
147.04413	100.0
148.04761	0.4
151.07422	0.3
153.01826	2.7
165.01805	0.8
165.05490	0.6
166.69914	0.3
169.09836	0.3
183.02911	0.3
185.06013	0.4
193.85381	0.3
213.05545	0.7
214.39355	0.3
231.06384	0.4
241.05032	0.5
258.05283	0.7
287.05505	61.3
288.05826	0.7
291.08676	1.3
299.05325	0.4
309.09729	0.8
329.06543	0.7
405.09882	0.6
463.04941	0.3
595.30469	0.4
600.39838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.2
55.01868	5.3
55.05516	37.0
57.03436	11.0
57.14469	2.6
59.04996	9.3
65.03950	4.6
66.37380	2.4
67.05512	100.0
69.03448	4.9
69.07079	24.9
70.10389	9.1
70.10732	3.1
71.04986	11.7
71.08614	3.9
79.05504	62.0
81.03422	12.1
81.07066	76.8
81.97572	2.8
83.04969	13.5
83.08625	18.2
85.02883	4.9
85.06555	10.2
87.04480	4.7
91.05478	48.7
93.07052	73.4
95.04977	12.1
95.08632	41.9
97.06532	12.0
97.10182	15.6
99.08118	4.4
105.07033	38.7
107.04966	8.0
107.08617	43.6
109.06535	9.5
109.10171	40.4
111.04448	3.3
111.08132	8.1
117.07015	16.6
119.08604	31.7
121.06496	7.9
121.10152	34.9
123.08079	8.9
123.11716	8.2
125.09628	9.4
128.06187	3.2
129.07034	12.8
131.08592	31.7
133.10156	25.5
135.08115	4.5
135.11699	18.9
137.09625	8.7
141.07007	3.7
143.08591	9.1
145.10162	18.4
147.04437	4.9
147.11743	15.4
149.09683	15.5
149.13280	9.8
155.08543	7.0
157.10121	7.7
159.11717	12.4
161.13306	3.9
163.11198	12.0
165.12791	3.5
169.10115	5.1
171.11760	4.0
173.09659	5.1
173.11882	5.4
173.13277	5.7
173.48982	2.9
175.11176	3.6
175.14731	3.4
177.12830	4.5
181.12236	6.0
183.11742	3.5
185.13298	3.7
189.11264	4.7
191.10748	7.4
193.12300	6.9
211.13330	8.6
225.14879	4.3
227.12788	12.4
229.14424	3.3
241.14310	2.8
249.14624	3.5
255.12366	3.4
259.15530	6.4
261.22266	8.8
267.15936	6.5
275.20074	4.8
277.21793	5.2
293.21213	4.4
299.23810	3.6
315.18130	6.8
333.24448	5.1
335.25806	14.5
335.57050	3.5
363.25296	7.4
423.27322	10.8
433.29971	3.1
451.31992	6.5
464.85397	3.2
469.32922	5.9
487.34015	3.2
489.35663	12.1
525.35754	4.3
543.36841	17.7
561.37958	9.4
575.39655	15.2
593.39960	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	593.405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21210	1.8
53.03954	11.6
53.42845	2.2
54.04301	2.0
54.07327	2.4
54.64133	2.1
55.01866	5.7
55.05272	2.7
55.05517	40.9
57.03436	14.4
57.07057	4.9
59.04998	5.6
65.03938	7.4
67.05510	100.0
69.03425	11.9
69.06789	2.9
69.07084	28.5
71.05004	10.7
71.08624	2.5
79.05499	78.9
79.44003	2.3
81.03419	40.1
81.06587	4.7
81.07063	88.3
81.46307	2.1
83.04996	14.1
83.08630	18.7
85.02917	5.0
85.06551	6.1
91.05483	56.9
91.06020	4.1
93.07049	73.1
95.05008	15.2
95.05537	3.2
95.08615	46.7
97.02901	5.1
97.06540	13.8
97.10192	12.7
99.04462	6.1
99.08092	4.8
105.07044	43.9
107.04971	5.8
107.08601	41.9
109.06502	6.9
109.10152	30.7
111.04446	5.4
111.08114	5.3
115.05470	3.4
117.07023	18.6
119.08582	28.8
121.06518	7.0
121.10162	28.4
123.08075	8.1
123.11709	7.0
125.09637	10.2
127.03944	4.2
128.06204	4.8
129.07021	8.4
131.04994	2.3
131.08578	21.3
133.10138	24.7
135.08057	7.3
135.11696	22.1
137.09612	4.5
143.08580	9.9
145.06453	4.1
145.10120	17.1
147.04417	5.6
147.08034	4.3
147.11722	16.0
149.09650	11.5
149.13275	8.0
151.11191	3.3
155.08595	4.8
157.10103	6.2
159.08025	3.1
159.11674	12.8
160.74582	2.3
161.09489	3.1
161.13269	4.3
163.11212	11.3
165.12813	4.9
166.96385	2.6
169.10133	5.9
171.11732	2.4
173.09595	3.7
173.11841	3.7
173.13252	5.7
175.11206	6.0
177.12762	3.2
181.10196	2.4
181.12189	4.8
183.11684	3.0
185.13336	6.3
187.14763	3.1
189.12862	2.7
191.10675	3.7
193.12311	9.8
195.11717	2.6
195.13708	5.6
197.13303	3.0
199.11296	2.8
199.13142	2.5
199.14876	4.1
209.11763	2.4
211.13284	10.3
227.12845	6.7
229.14299	6.0
243.21220	3.1
247.17221	2.9
255.16049	3.4
259.15448	3.3
267.15872	7.9
275.20071	5.3
277.21524	6.5
291.19485	3.3
293.20889	3.7
299.23682	2.6
315.18149	3.4
335.25906	7.8
339.18042	5.3
363.25381	2.7
395.20648	3.1
415.29504	2.4
423.27652	7.8
449.28897	5.4
489.35953	12.1
525.35352	4.3
543.37073	14.8
561.37567	7.3
575.38763	8.9
593.32324	26.7
593.40137	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	595.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.3
55.05500	0.3
60.50084	0.3
65.03937	1.4
69.03421	1.3
71.03146	0.6
71.03468	0.4
81.03428	3.1
85.02894	1.1
91.05483	10.6
94.00459	0.4
97.02895	0.5
109.02877	1.1
119.04948	23.7
121.02851	0.6
127.03898	0.4
135.15213	0.3
136.90866	0.3
147.04416	100.0
148.04778	0.7
153.01813	1.5
165.01888	0.5
165.05496	2.7
171.91792	0.3
181.04999	0.3
213.05447	0.4
228.85052	0.4
287.05518	23.6
291.08618	5.4
309.09741	1.1
477.73523	0.4
495.55630	0.5
575.40875	0.4
582.97693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63638	2.4
53.09211	2.7
55.01864	4.3
55.05521	21.0
55.05745	4.1
57.03431	12.5
58.44888	2.6
65.03932	3.0
67.05518	27.6
69.03416	3.9
69.07078	5.9
69.15867	2.7
69.27509	11.1
69.27927	14.3
71.04992	6.3
79.05499	22.5
81.02986	4.9
81.03418	58.1
81.07059	28.3
83.04981	6.2
83.08624	18.8
91.05479	19.3
93.07051	29.1
95.04973	17.5
95.08603	13.0
97.06510	3.5
97.10153	16.4
105.07040	18.8
106.07378	2.8
107.04950	18.0
107.08614	14.7
109.06520	10.4
109.10143	8.9
111.04469	3.1
111.08121	4.9
111.31982	2.8
115.05495	2.8
117.07011	6.3
119.08585	16.4
121.06518	10.2
121.10146	9.8
123.08067	6.7
123.11740	3.0
125.09624	14.4
129.07007	9.2
131.08578	11.3
133.06500	7.0
133.10135	9.1
135.08069	6.2
135.11757	3.0
145.06480	8.6
145.10153	6.0
147.08064	4.4
147.11682	6.5
149.09593	6.6
157.10138	9.1
159.11575	3.1
163.11191	4.6
165.12788	3.2
169.42302	2.7
171.11700	3.1
175.11217	6.7
180.73366	2.7
189.11159	6.3
189.12772	2.9
193.12228	16.4
215.14229	4.8
217.60318	3.1
219.13867	4.2
227.12752	3.9
229.14470	3.6
231.13908	4.5
233.15417	5.8
255.13791	3.9
267.15903	39.7
273.14713	4.5
349.21597	8.5
357.24326	4.1
367.22705	20.4
385.23721	34.7
403.24692	9.2
441.26389	9.2
459.27426	100.0
477.28510	78.7
491.29855	10.6
541.34143	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	593.3691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	2.4
53.03943	15.8
55.01878	29.5
55.05515	46.9
57.03444	18.0
57.07079	4.2
59.05016	2.5
65.03940	8.9
67.05511	99.5
69.03426	11.2
69.07074	41.7
69.85785	11.5
71.04996	11.9
71.29593	2.0
79.05501	93.0
80.36511	2.0
81.03430	47.4
81.07063	100.0
82.04227	2.5
83.04990	21.1
83.08627	27.5
85.02910	8.0
85.06566	4.8
91.05489	76.6
93.07054	65.1
95.04977	36.8
95.08608	45.5
97.02891	6.5
97.06544	34.2
97.10171	19.8
98.07359	2.6
98.21455	4.1
99.08115	4.4
103.05478	2.4
105.04543	3.7
105.07043	61.1
107.04973	26.2
107.08608	44.1
109.02885	4.3
109.06531	15.6
109.10169	32.3
111.04461	6.5
111.08102	9.3
117.07038	20.1
119.04934	2.2
119.08588	43.3
121.06522	13.2
121.10154	21.5
123.04469	3.9
123.08062	16.6
123.11726	8.4
125.06017	3.1
125.09633	21.6
127.03894	2.3
127.11245	3.1
128.06284	2.8
129.05489	8.2
129.06963	13.8
131.08585	30.4
133.06525	4.3
133.10133	33.6
135.07091	2.4
135.08066	9.8
135.11670	18.1
137.09642	8.9
139.11166	2.3
141.06958	2.4
142.07819	3.3
143.07016	3.3
143.08612	10.4
145.10127	20.9
147.08049	8.7
147.11719	20.7
149.09648	19.5
149.13310	6.5
151.11237	4.0
153.09102	2.6
157.08728	5.0
157.10147	14.2
159.08041	3.7
159.11642	13.5
161.09686	9.0
163.11195	13.4
165.12752	5.7
167.10667	2.7
168.47566	2.0
169.10153	3.3
171.10269	4.3
171.11768	6.4
173.13297	6.3
175.11192	10.5
177.12761	5.3
179.10735	2.7
179.14235	2.8
181.12274	5.8
183.11682	2.3
185.09644	2.7
185.13298	3.4
187.11235	2.9
189.11221	11.2
189.12822	5.1
191.10706	2.5
193.12254	16.4
199.13150	2.2
207.13770	2.8
209.11705	3.4
211.13258	20.5
211.14632	1.9
223.13219	2.8
227.12747	18.7
227.40063	2.3
229.14383	6.8
233.15425	3.4
245.19165	2.5
247.20634	3.1
255.15895	3.8
257.19070	6.0
267.15842	14.4
273.18527	13.5
275.20081	41.1
283.15387	6.0
285.17038	9.5
291.19492	24.6
293.21201	5.8
301.16501	15.1
313.21664	3.6
347.22397	3.6
347.73624	2.7
349.23758	16.1
365.23444	10.7
421.25314	3.2
439.27127	3.1
449.29416	3.1
539.33740	4.5
557.34546	12.2
575.35864	18.1
593.33978	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	593.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01864	2.5
55.05511	6.1
57.03446	1.7
57.07061	1.5
59.04993	2.3
65.03945	2.0
67.05511	19.8
69.03140	1.6
69.03435	18.1
69.07067	4.1
70.19086	2.6
70.19465	5.0
71.04993	3.0
73.02917	2.7
73.62019	1.4
74.79059	1.6
79.05492	6.6
81.03419	5.0
81.07069	15.5
83.04971	3.7
85.02911	59.8
85.06551	8.7
91.05486	10.9
93.07051	8.9
95.04969	3.9
95.08614	47.3
97.02891	9.7
97.06558	1.5
99.04456	6.3
103.05457	2.6
105.07037	24.2
107.04916	1.6
107.08586	14.2
109.02880	4.8
109.06544	8.9
109.10163	26.6
111.04430	3.2
113.06001	3.1
117.06994	2.5
119.08592	34.3
121.02879	3.3
121.06572	2.6
121.10151	19.2
123.08084	18.0
123.11715	66.4
125.05992	20.3
127.03928	17.2
131.08575	6.9
133.06483	4.0
133.10130	5.2
135.08099	1.8
135.11688	4.3
137.06012	3.0
137.09621	2.7
139.07559	4.3
143.08640	1.6
145.04994	8.2
145.10144	9.7
146.10974	1.5
147.08029	7.1
147.11710	38.9
149.09630	26.7
151.07562	15.5
153.01915	2.6
156.09338	4.8
159.08028	3.9
161.09599	2.1
161.13249	10.6
163.11217	4.5
165.12691	7.1
167.10689	12.9
168.87013	1.4
171.11697	6.2
173.09660	2.3
174.10449	8.8
179.14371	2.2
189.12750	63.1
207.13809	100.0
225.14893	22.3
251.09183	4.8
265.10321	1.5
279.38412	1.4
291.12686	1.6
311.84564	1.6
315.15842	1.9
333.16995	45.9
351.18069	72.7
352.18536	1.5
369.19095	31.8
387.20065	5.3
395.26102	1.7
411.16898	1.4
413.09079	1.9
413.26962	1.8
575.32538	2.7
593.32263	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	593.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	12.8
55.01867	6.7
55.05273	2.1
55.05516	32.0
57.03448	12.4
57.07072	3.4
63.21995	2.0
65.03934	8.6
67.05511	100.0
69.03436	21.8
69.07076	24.3
71.01372	4.8
71.05014	10.5
71.08626	3.8
73.02896	2.8
73.46127	2.3
79.05499	81.4
81.03429	80.3
81.03924	2.6
81.06591	4.3
81.07066	84.7
82.07372	2.1
83.04983	21.1
83.08636	13.9
83.37786	2.1
85.02902	8.0
85.06535	6.3
91.05487	47.6
93.07054	82.1
95.04980	13.3
95.08628	28.4
97.02909	16.8
97.06543	16.4
97.10160	9.2
99.04462	4.4
99.08103	3.6
105.04507	4.3
105.07048	25.8
107.04940	5.9
107.08609	41.2
109.02894	10.8
109.06520	7.3
109.10171	16.3
111.04440	7.9
111.08075	8.3
117.07040	17.3
119.08607	14.5
121.06506	8.0
121.10152	22.0
123.08078	3.5
123.11703	7.3
125.09649	2.9
127.03931	11.6
129.07010	6.6
131.08569	16.0
133.06537	2.9
133.10167	15.8
135.08058	6.5
135.11703	39.4
137.09624	2.4
138.91112	1.8
141.06978	2.5
143.08609	4.9
145.06448	2.4
145.10141	11.7
147.07980	2.6
147.11697	7.3
149.09639	4.6
149.13281	15.0
151.11143	5.2
153.12709	2.1
155.08562	2.9
157.10143	5.0
158.72427	1.9
159.11711	11.2
163.11200	8.4
165.12724	3.5
171.11794	3.5
173.04390	3.2
177.12820	6.7
181.12267	13.3
183.06512	2.4
185.13228	2.0
195.13812	12.8
199.14833	2.4
201.12750	2.8
213.14732	2.4
229.14415	3.0
255.15910	12.1
256.66394	2.5
261.14825	3.8
267.16077	3.7
267.36972	2.1
269.17453	7.7
293.17331	2.1
321.16898	3.3
325.16534	3.8
339.18149	11.9
377.19589	2.7
381.18564	2.7
395.20572	7.7
423.27609	12.2
431.27832	6.2
449.29034	16.9
575.32520	3.0
593.33069	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01559	2.3
53.03952	12.9
55.01862	8.2
55.05513	28.5
57.03438	11.8
57.07059	3.7
65.03937	7.1
67.05508	100.0
68.05849	2.8
69.03432	15.7
69.06746	2.2
69.07074	26.8
71.01336	2.5
71.04975	9.1
79.05499	75.4
81.03424	75.9
81.07059	86.2
83.04977	18.6
83.08621	13.4
85.02895	5.8
85.06527	5.5
91.02499	1.8
91.04902	2.9
91.05481	53.6
93.07047	79.1
93.07639	3.8
94.69231	2.0
95.04974	19.4
95.08613	26.8
97.02899	10.7
97.06531	17.9
97.10159	7.9
98.21532	4.4
99.04443	5.6
99.08101	5.6
105.03320	1.9
105.04514	2.4
105.07041	25.9
107.04940	8.0
107.08605	41.9
109.02870	12.2
109.06523	4.7
109.10156	19.7
111.04449	8.5
111.08084	4.9
115.05444	2.7
117.07038	15.5
119.08578	18.3
121.06498	6.7
121.10138	16.4
123.11700	5.4
125.09602	5.1
127.03943	10.8
128.06268	3.3
129.05490	2.3
129.07002	6.0
131.04890	3.2
131.08585	12.3
133.06540	3.6
133.10143	16.1
135.08047	4.2
135.11693	46.4
137.09616	3.5
143.08565	7.0
143.13939	2.3
145.06476	3.6
145.10132	10.1
147.11671	10.2
149.09612	3.7
149.13277	16.2
151.11189	3.8
155.08569	2.7
157.06483	2.1
157.10161	5.4
159.08067	3.2
159.11670	11.0
163.11148	8.3
165.12721	5.0
171.11732	3.2
173.04454	3.5
173.13252	2.5
175.11142	2.8
177.12787	5.0
181.10016	2.9
181.12242	11.6
183.06427	2.9
187.14806	3.2
195.13779	14.0
229.14719	1.9
229.51031	2.3
239.14301	2.6
253.14438	4.1
255.16028	11.4
257.15286	2.0
261.14865	2.6
267.15826	3.2
269.17468	6.9
275.20178	3.4
293.21133	2.3
321.17114	3.6
323.35037	2.1
325.16367	3.7
339.18057	11.2
395.20743	11.0
423.27264	12.5
431.27783	7.4
449.29196	12.8
562.45605	2.5
575.31122	2.6
593.33051	90.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25689	100.0
94.19098	8.6
115.68502	10.2
159.20186	9.6
235.06500	10.2
247.74670	10.0
311.70453	11.1
312.72562	9.7
445.20084	36.9
446.20859	14.7
452.78448	10.7
470.65436	10.5
526.91766	10.2
533.25208	19.5
578.52814	11.6
592.26880	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	40.2
57.03435	16.7
57.07079	37.9
59.05022	4.1
67.05509	55.6
69.03431	4.4
69.07073	20.4
69.12602	4.1
69.31570	3.5
69.31848	32.9
71.04985	4.5
71.08642	26.7
79.05496	17.2
79.55973	3.3
81.07070	31.7
83.08622	16.0
85.02904	20.5
85.10188	16.1
87.04470	7.1
90.03432	3.7
91.05495	4.8
92.10077	3.3
93.07034	10.4
95.08623	27.3
95.94179	3.4
97.10184	31.3
105.07037	6.0
107.08611	10.1
109.10173	34.8
119.08588	6.3
121.10129	6.9
123.11758	7.9
125.09647	30.1
135.55898	3.5
142.11246	3.6
143.10706	4.9
173.11729	11.8
199.13332	15.0
207.82347	4.2
227.12737	6.2
229.14430	29.2
239.23743	6.2
257.24777	3.7
265.92813	3.5
300.92770	4.1
301.16409	13.2
313.27414	100.0
445.19870	3.6
455.37280	13.1
467.37329	16.5
526.44177	4.0
533.25458	10.3
539.39099	5.6
592.26202	13.3
592.56781	4.9
593.27289	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2757
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
69.26310	3.8
159.63239	0.5
180.52875	0.5
201.62837	0.5
275.77893	0.5
291.36383	0.5
389.17700	1.1
403.19333	2.5
405.20682	1.5
417.16220	0.8
417.21463	2.3
418.21582	1.6
419.22577	2.5
430.17630	1.0
431.18195	5.9
432.19611	1.8
433.24173	3.8
434.24927	1.1
445.19989	7.9
446.20779	2.5
447.21719	3.6
459.21393	2.8
460.22580	9.0
461.23410	6.1
473.23932	2.5
474.24042	0.5
487.24231	0.8
491.23868	0.9
492.25269	1.1
505.21829	5.1
519.23816	0.9
533.25494	21.7
564.23761	0.8
565.28339	0.9
593.27612	100.0
594.27808	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	593.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96709	0.4
57.95124	0.4
58.35099	0.5
76.12600	0.4
80.24359	0.5
112.71892	0.4
161.09471	0.4
163.25795	0.4
179.40736	0.4
377.17667	0.4
387.15796	0.6
389.17734	0.8
401.17517	1.1
402.18576	0.6
403.19363	2.9
404.19983	0.7
405.20807	1.8
405.41068	0.5
415.08719	0.4
416.15604	0.5
416.20389	0.7
417.21304	3.8
418.21570	1.7
419.22330	3.4
430.17361	0.6
431.18283	8.5
432.18741	2.0
433.24103	8.6
434.24557	1.3
445.19849	9.0
446.20831	4.5
447.21915	4.2
449.23395	0.6
459.21594	3.5
460.22617	14.2
461.23373	12.8
462.24213	0.6
473.23724	2.4
474.24323	1.0
476.25690	1.3
477.26932	0.6
487.25009	1.3
488.26495	0.5
491.24319	1.3
492.25244	1.2
505.21979	5.2
515.24451	0.6
518.23444	0.6
519.24316	0.9
533.25519	44.0
534.25854	1.5
561.24908	0.6
564.23364	0.5
565.28308	1.0
593.27618	100.0
594.28003	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.05514	17.8
56.02048	2.6
57.03432	12.2
57.07076	49.5
67.05508	60.4
69.07072	20.7
70.96175	7.7
71.04990	2.7
71.08633	27.9
74.47079	3.0
79.05074	3.5
79.05495	48.3
79.54400	2.7
81.07056	63.6
83.05003	3.0
83.08632	17.7
85.06532	3.6
85.10200	17.3
89.06099	2.8
91.05489	25.1
93.07051	53.0
95.04963	3.8
95.08611	61.7
97.10147	10.9
99.08095	4.6
99.50447	2.8
105.07033	15.9
107.08593	30.7
109.10159	18.8
117.07025	6.6
119.08566	10.9
121.10136	21.7
123.11713	7.1
131.08560	11.6
133.10138	9.1
135.11694	16.4
137.13307	4.1
145.10118	8.2
147.11671	8.4
149.13229	10.7
151.11136	5.0
159.11688	7.0
160.41589	2.6
161.13187	3.1
163.14818	8.9
164.50630	2.9
173.13219	6.3
177.16324	5.7
187.14781	5.1
233.22585	4.3
239.23833	3.1
243.21101	22.8
261.22180	53.6
279.22971	2.9
313.27368	100.0
317.24796	6.5
335.25787	59.7
403.49857	2.7
540.28284	3.0
573.49042	21.2
591.49530	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	591.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70015	1.4
53.03951	3.1
54.85826	1.5
55.01884	2.2
55.05515	19.4
57.03442	14.9
57.07082	44.7
65.03945	2.4
67.05510	60.5
69.07079	18.4
70.18196	3.0
70.18587	3.8
71.04979	1.8
71.08636	30.1
79.05497	49.5
81.07064	69.0
83.04998	2.3
83.08632	16.1
85.06526	3.6
85.10183	13.3
86.69347	1.6
89.06020	1.5
91.04983	2.1
91.05495	23.9
93.07051	59.1
95.04967	2.9
95.08611	60.3
97.06505	3.3
97.10168	6.2
99.08090	2.5
103.07608	2.5
105.07026	16.7
107.08606	34.5
109.06520	2.1
109.10166	27.0
111.08067	1.9
111.11772	1.7
113.09634	1.8
116.51992	1.4
117.07008	6.1
119.08578	9.7
121.10160	20.7
123.11726	9.1
125.13226	1.8
131.08575	15.5
133.10109	9.3
135.11710	14.4
137.13268	5.3
143.08546	2.1
145.10155	11.5
147.11679	10.1
149.09657	2.7
149.13258	12.6
151.14844	3.3
159.11726	10.2
161.13246	6.0
163.14833	10.3
165.12799	2.2
173.13261	7.9
175.14818	3.7
177.16393	5.8
187.14792	5.1
197.68771	1.6
201.16385	2.0
221.55797	1.4
233.22643	4.0
239.23660	4.1
243.21123	25.8
261.22171	54.4
313.27402	100.0
317.24814	8.2
335.25830	58.3
411.36279	2.4
424.57162	1.7
490.40610	1.6
573.48871	19.4
591.25354	2.0
591.49139	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01857	2.2
55.05273	1.8
55.05517	21.1
57.03441	13.0
57.06792	2.7
57.07079	47.5
58.94781	1.6
60.48751	1.6
65.03941	3.7
65.68143	1.4
67.05510	67.0
69.04341	1.7
69.07077	21.2
71.04980	2.7
71.08634	33.0
79.05072	2.8
79.05500	39.7
79.05950	1.5
81.07061	79.5
83.04971	2.0
83.08622	17.4
85.10182	17.3
89.06021	2.9
91.05488	19.7
93.06488	3.7
93.07051	53.3
95.04958	2.8
95.08613	71.8
97.10172	9.3
98.20730	4.3
99.08071	1.9
105.04502	2.4
105.07034	15.2
105.75262	1.6
107.08597	31.2
108.97219	1.7
109.09464	3.0
109.10159	34.7
117.07014	8.9
119.08591	12.9
121.10166	23.8
123.11717	11.6
123.48726	1.6
131.08566	18.4
133.10147	12.6
135.11714	16.8
137.13254	4.8
145.10173	8.7
147.11700	9.9
149.13292	12.9
151.14818	1.9
159.11687	11.6
161.13283	6.9
163.14841	6.8
173.13229	10.0
175.14790	3.5
177.16382	2.0
179.14259	1.9
187.14819	5.5
201.16458	2.2
201.26665	1.7
203.41658	1.8
233.22722	3.3
239.23677	5.9
243.21123	14.7
257.24835	1.9
261.22165	68.4
279.23334	4.0
311.11063	1.8
313.27386	100.0
317.24789	14.5
335.25845	66.0
335.29938	2.7
482.32074	1.9
499.44974	2.4
573.48932	16.0
591.49377	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	591.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	11.8
55.01888	21.7
55.05268	4.1
55.05516	53.9
57.03439	18.4
57.07069	3.0
59.05008	7.0
61.02903	2.9
63.74547	2.5
65.03946	8.9
67.05511	100.0
69.03436	10.2
69.07075	38.5
69.07427	4.4
71.05001	18.3
71.51424	2.7
77.03951	3.4
79.05499	97.7
81.03428	38.3
81.07065	99.4
83.04990	29.8
83.08630	26.3
85.02892	6.8
85.06561	8.5
88.22534	2.5
91.05489	83.8
93.07053	93.0
93.07645	4.9
95.04980	31.9
95.08620	50.9
97.02899	8.4
97.06546	28.2
97.10184	27.9
99.04465	3.4
99.08116	5.6
103.03893	3.2
103.05451	3.8
105.07040	68.4
105.07696	5.2
107.04964	28.5
107.08607	54.4
109.02912	3.2
109.06537	16.4
109.10173	35.3
111.04445	12.9
111.08079	12.5
113.06002	4.0
115.05467	3.5
117.07030	29.4
118.07751	3.1
119.04971	3.0
119.07759	1.9
119.08588	54.4
121.06528	14.5
121.10162	49.8
123.08079	9.4
123.11709	7.6
123.74635	2.6
125.06054	3.4
125.09634	19.3
128.06229	7.6
129.07028	20.2
131.08582	41.0
133.06490	8.9
133.10144	36.4
135.08089	20.2
135.11699	28.8
137.09633	10.2
139.11244	4.4
142.07785	3.0
143.08569	12.8
145.06505	9.1
145.10127	46.7
147.08058	9.9
147.11729	24.0
149.09642	23.9
149.13249	7.5
151.11209	5.7
153.09142	2.4
153.12770	4.5
155.08574	10.1
157.10153	14.3
159.08046	5.7
159.11714	15.5
159.43056	2.5
161.05957	2.5
161.09671	7.8
161.13287	7.2
163.11191	31.8
165.12750	3.6
167.08569	3.3
167.10724	3.4
169.10156	4.4
171.11694	13.4
173.09634	9.9
173.13245	5.8
175.11206	12.1
177.12784	4.8
180.92065	2.5
181.10170	5.7
181.12222	8.6
183.11745	6.4
185.09683	3.6
185.13266	7.3
186.63667	2.6
187.11282	4.3
187.14888	3.8
189.11235	10.8
189.12791	5.3
191.10680	14.6
193.12296	10.7
195.11729	4.2
195.13779	4.8
197.13225	5.0
199.13329	4.6
199.14958	3.2
203.10692	2.8
205.12299	4.4
209.11676	15.7
211.13339	8.3
211.15086	3.3
217.15948	3.1
223.13316	7.6
227.12787	38.3
241.14375	3.7
241.19450	4.3
249.14864	4.3
259.15451	12.9
259.20575	13.0
265.14499	4.3
267.15994	11.4
273.15146	2.9
273.18497	17.8
275.20148	15.3
277.21671	7.0
283.15442	10.0
287.20224	3.2
291.19577	50.3
297.21985	3.9
298.13269	2.9
299.19968	5.6
301.21631	4.2
313.21692	4.5
315.18008	5.7
315.23230	5.6
317.21194	5.5
331.22427	4.1
333.24265	9.8
337.21747	3.2
349.23581	7.4
403.24625	2.5
431.29266	4.8
447.27371	5.4
449.30750	5.9
463.27844	2.8
467.31537	5.2
523.33997	8.5
541.35419	24.5
559.36584	13.5
573.36029	9.3
591.38013	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	591.2606
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
67.05499	0.7
69.07059	0.3
74.08688	0.3
79.05493	0.5
81.07053	0.9
84.83644	0.3
93.07087	0.3
95.08633	0.5
98.20708	0.6
105.07080	0.2
109.10158	0.3
150.13275	0.3
169.10326	0.2
172.07030	0.3
195.81842	0.3
197.13213	0.3
231.95125	0.3
300.52527	0.3
339.29031	0.3
399.16763	0.3
401.17679	1.0
403.19397	0.3
404.20734	0.4
413.17825	0.7
414.18518	1.0
415.19211	4.8
416.20111	1.9
417.20981	0.8
427.19199	0.6
428.19995	0.8
429.20874	6.9
430.21631	3.5
431.22702	1.5
433.23804	0.5
442.21884	0.6
443.22964	2.6
444.23703	5.8
445.24429	3.9
446.24664	0.4
448.26288	1.1
457.20313	1.1
458.25644	1.3
459.21490	2.6
459.25964	2.3
461.23639	0.4
469.24045	0.5
471.21906	0.8
472.22665	3.2
473.23532	5.5
474.24643	2.4
475.25519	1.3
476.22333	0.4
485.23343	1.9
486.24179	0.6
487.24985	21.1
488.25519	0.9
489.23108	1.7
490.23886	0.6
500.22083	0.4
501.22379	0.4
503.25061	2.1
515.24512	1.0
517.22473	0.9
517.40527	0.3
518.23517	0.5
531.23938	13.5
532.24719	5.1
563.26428	0.4
573.41522	0.3
591.26050	100.0
592.26514	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.7
53.66845	4.6
53.96475	4.2
55.05513	9.5
57.03435	11.2
57.07081	28.8
67.05518	22.6
69.07061	6.6
71.08621	21.9
71.51127	6.8
76.76469	4.5
76.80627	4.4
79.05501	6.4
81.03426	51.0
81.07050	20.0
83.08624	18.9
85.10181	12.3
88.54542	4.2
89.06035	6.7
91.05495	9.6
93.07071	8.6
95.04967	19.1
95.08616	14.1
97.10226	5.0
105.07031	13.3
107.08586	7.3
109.10204	6.2
119.08544	6.6
123.45455	4.9
129.07045	5.8
131.08516	7.5
133.10094	5.8
139.59343	4.6
147.11682	4.7
157.10150	13.7
162.31151	5.1
193.12238	18.7
247.22975	4.5
267.15921	100.0
313.27386	87.6
505.38947	78.3
590.48401	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	591.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89066	0.9
56.96563	2.4
57.03422	1.4
61.02906	2.2
65.03928	2.3
69.03419	3.0
70.06595	23.4
70.25677	1.2
70.26025	4.1
71.57711	1.1
73.02916	1.2
81.03432	1.6
85.02911	13.8
92.04994	4.8
97.02879	3.8
98.21460	1.1
98.97590	2.8
99.04388	1.2
109.02901	1.8
110.06050	100.0
111.04461	1.0
112.07621	17.3
116.07082	4.2
119.04879	1.1
122.06032	1.6
127.03912	3.2
134.06015	2.8
134.73819	0.9
139.03941	1.3
140.07057	3.3
145.04988	2.5
147.04430	3.9
153.01859	2.9
158.06870	2.1
158.08128	27.5
188.50450	1.1
254.10266	2.4
272.11249	10.5
277.03336	2.1
303.01352	3.4
304.01761	1.2
547.22845	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.3
55.05516	14.1
57.03444	20.9
57.07085	42.1
67.01990	3.1
67.05514	25.1
69.07068	7.9
70.75198	8.5
71.08633	33.9
79.05516	14.7
81.03426	78.0
81.07051	29.2
83.04987	4.9
83.08624	27.9
85.10197	18.4
91.05495	18.5
93.07059	16.8
95.04988	23.5
95.08600	28.0
96.08949	2.9
97.10180	4.1
105.07034	14.7
107.04967	4.3
107.08575	6.5
109.10145	13.7
111.08068	4.9
118.77189	2.6
119.08566	17.1
121.10150	9.0
123.11710	4.4
129.07013	8.0
131.08574	6.1
133.06464	3.6
133.10144	8.4
135.11705	3.4
145.10208	3.0
147.11679	9.3
149.09636	3.2
157.10155	9.5
175.11189	8.4
180.82173	2.9
193.12196	26.4
207.99974	3.3
239.23964	3.7
241.19661	3.8
247.14870	3.5
259.20667	9.8
260.20865	5.2
267.15948	100.0
303.86856	3.2
313.27402	97.9
314.27710	9.7
329.92303	3.3
333.24246	5.7
334.24359	3.4
357.80478	2.9
388.70520	3.7
505.38901	71.4
590.48511	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	589.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80518	1.1
53.00303	1.0
53.03938	4.8
55.01863	3.8
55.05513	21.4
57.03437	11.7
57.07080	54.2
65.03952	2.9
67.05509	50.0
68.07379	1.0
69.07072	21.6
69.07425	2.2
69.75447	5.3
69.75860	1.9
71.04996	3.7
71.08637	38.1
75.04463	1.2
79.05495	38.4
81.03424	3.4
81.07063	63.0
83.04988	2.4
83.08628	19.8
85.06539	2.6
85.10188	17.3
89.06036	2.0
90.02544	1.2
91.05487	59.2
93.07050	46.0
95.04981	3.3
95.08613	56.4
96.38242	1.1
97.06545	3.0
97.10172	8.3
99.08096	5.0
99.11704	1.2
103.05478	2.9
105.07039	53.9
107.04952	1.5
107.08599	27.2
109.06522	2.1
109.10165	20.8
111.08107	3.1
111.11739	2.4
113.09665	1.2
113.98810	1.1
115.05457	2.4
117.07027	14.5
119.08589	57.4
121.10156	18.2
123.08068	1.8
123.11758	7.1
128.06213	1.7
129.05482	1.6
129.07027	11.9
130.07825	1.3
131.08580	20.5
133.10135	44.7
135.11685	20.1
137.09607	1.7
137.13239	2.0
142.07782	1.8
143.08580	11.8
145.10127	18.8
147.11694	42.3
149.09593	2.3
149.13281	12.5
151.11206	4.4
157.10118	10.8
159.11699	19.6
161.09598	1.6
161.13269	41.2
161.14624	2.2
163.11214	4.1
163.14845	5.9
165.12788	1.8
165.45822	1.2
171.11697	11.8
173.13261	12.0
175.11189	2.9
175.14824	17.8
177.12718	2.9
179.14365	6.7
185.13264	12.0
187.14819	4.5
189.12807	1.9
189.16376	1.9
197.36676	1.1
199.14845	6.1
201.16518	1.8
213.16435	2.8
215.17952	2.4
217.15944	1.4
217.19524	2.4
221.15442	1.5
231.21100	8.5
239.23743	4.8
241.19530	47.1
257.18958	1.6
257.24762	1.9
259.20593	94.5
260.21085	1.7
267.15930	1.6
275.20029	3.2
277.21658	12.1
297.22290	1.6
313.27383	100.0
314.27863	1.7
315.23019	7.1
333.24265	51.4
349.24036	1.3
497.44144	1.5
505.39114	1.6
571.47369	10.9
588.20825	1.6
589.48462	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	589.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
55.01861	2.4
55.05515	21.3
57.03445	8.9
57.07079	49.2
65.03934	2.4
67.05509	46.6
69.07072	22.8
71.04978	2.6
71.08636	38.5
75.24162	1.5
79.05497	34.5
81.07063	54.8
83.08614	14.6
85.06555	3.4
85.10188	16.3
91.05486	55.1
93.06485	3.3
93.07047	44.9
94.28085	1.6
95.04996	2.8
95.08607	49.8
97.06529	2.5
97.10181	8.2
98.11050	1.5
99.08093	6.0
103.05535	2.0
105.04506	3.3
105.07038	60.2
107.08592	24.4
109.06539	1.5
109.10167	20.5
113.42290	1.6
115.05462	2.7
117.07021	13.9
119.08586	51.3
121.10152	20.6
121.14606	1.3
123.08080	1.8
123.11744	5.0
128.06210	2.0
129.06985	10.0
131.08571	20.2
131.10001	1.8
133.10135	41.3
135.11696	18.6
137.06015	3.1
139.11177	1.7
143.08574	7.4
145.10120	21.0
147.10518	2.3
147.11684	46.5
149.09688	2.4
149.13274	13.8
151.11177	1.8
157.10147	7.8
159.11710	16.7
161.13258	32.0
163.11195	4.1
163.14844	2.6
171.11691	14.0
173.13321	10.6
175.11241	2.7
175.14853	14.9
177.12807	1.9
179.14348	3.9
185.13332	10.5
187.14798	3.7
189.12738	2.9
189.16411	2.8
199.14853	5.5
200.93449	1.4
213.16512	2.7
215.17902	1.4
231.17345	2.1
231.21033	9.4
239.23679	4.7
241.19543	32.1
243.21214	2.1
257.24741	2.9
259.20581	100.0
275.20108	1.6
277.21658	6.8
313.27380	88.6
315.23111	6.9
333.24255	48.0
340.84653	1.8
351.25247	2.1
497.43393	2.1
532.45734	1.7
571.47363	9.5
589.48376	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	589.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.9
55.01886	4.3
55.05513	30.1
57.03437	11.5
57.07079	79.1
65.03936	2.4
66.56568	1.8
67.05509	74.6
69.07073	33.0
69.07419	2.8
71.04990	4.3
71.08244	4.1
71.08635	68.8
71.11466	4.0
79.05498	52.4
81.03436	4.2
81.07062	87.5
83.05012	4.8
83.08626	30.4
85.06555	2.7
85.10189	29.9
87.45773	1.8
89.06077	4.6
91.05483	56.4
93.07049	51.5
93.07625	2.4
95.04972	9.0
95.08614	70.4
96.08952	2.2
97.06559	5.8
97.10183	13.6
99.08096	19.6
101.06039	1.6
103.07636	2.0
105.07035	64.7
107.04996	4.5
107.08595	36.3
107.09289	2.4
109.06516	8.4
109.10168	34.3
111.04490	3.0
111.08097	3.0
111.11766	2.7
113.09699	2.7
117.07026	15.9
119.08590	58.4
121.10148	23.0
123.08116	3.6
123.11738	12.2
125.06009	2.1
125.09676	3.3
128.06259	2.3
129.07013	10.3
131.08569	20.8
131.09415	2.1
133.10143	50.5
133.11086	3.1
135.08102	4.4
135.11693	26.6
135.12549	2.3
137.05977	27.9
137.09656	3.0
137.13318	5.6
143.08574	10.6
145.10121	24.2
147.08057	2.0
147.11700	48.8
147.12787	3.4
149.09647	4.4
149.13263	11.4
151.11198	12.6
157.10139	8.3
159.11729	15.2
161.09688	3.2
161.13266	37.7
163.11179	16.7
163.14886	3.4
164.19374	1.7
170.36423	1.8
171.10367	2.9
171.11664	13.0
173.13284	10.7
175.11345	3.1
175.14841	17.6
175.65370	2.0
177.12914	3.9
179.14311	12.5
180.14778	1.9
183.11951	2.0
185.13264	13.0
187.14906	4.0
189.12842	2.9
189.16463	2.0
191.14442	2.6
199.14873	9.3
201.16324	2.6
203.18094	2.6
213.16501	3.7
216.38676	1.7
217.19730	2.4
231.17532	5.7
231.21147	12.1
239.23819	7.1
241.19537	41.2
249.18579	3.3
259.20593	92.9
277.18207	22.4
277.21759	28.5
313.27380	100.0
315.23383	7.0
333.24283	47.6
333.28137	2.3
494.97220	1.8
571.47278	10.3
589.48364	65.4
590.48505	2.3
608.87115	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	589.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38420	0.8
53.00312	1.5
53.03948	4.0
55.01873	1.7
55.05266	1.6
55.05516	19.5
57.03443	2.2
57.07080	35.9
65.03941	2.6
67.05509	52.7
69.07074	16.7
69.44254	0.8
69.51798	0.9
71.05003	2.7
71.08636	57.2
71.52396	1.1
75.38434	0.7
79.05499	41.0
81.03422	7.3
81.07064	57.4
83.04986	6.1
83.08624	15.9
85.06554	2.3
85.10191	9.9
91.05489	26.9
93.07049	47.4
94.07320	1.0
95.04974	9.6
95.08611	47.1
97.06526	6.4
97.10176	6.0
99.08098	23.7
99.08743	0.9
105.03447	1.0
105.04581	1.3
105.07037	20.0
107.04971	8.1
107.08602	24.1
109.06516	3.9
109.10165	18.0
111.08100	3.0
111.11726	1.5
111.17911	0.7
113.09661	4.5
115.05509	1.0
117.07019	5.5
119.08585	15.3
119.09377	1.4
121.06565	2.0
121.10149	20.1
123.08089	1.7
123.11704	5.6
125.09689	1.2
129.07066	2.9
131.08574	5.7
133.06493	1.0
133.10150	12.6
135.08058	1.4
135.11707	32.5
137.09656	4.1
137.13310	1.4
141.09109	4.1
142.07793	1.1
143.08606	3.4
145.10114	4.5
147.11665	5.0
149.09628	1.4
149.13249	9.2
151.11208	13.9
151.12386	1.4
157.10170	1.7
159.11732	3.6
161.13269	12.4
161.14577	1.1
163.11209	5.5
163.14827	1.4
165.12785	1.0
167.10780	2.3
171.11713	2.4
173.13232	1.8
175.14886	2.5
177.12823	3.1
179.14323	100.0
180.14760	0.9
185.13316	2.5
189.12779	2.6
195.13841	2.0
217.15965	0.8
221.15445	3.1
231.21069	1.0
235.16971	4.0
239.23752	2.3
241.19638	3.1
259.20645	5.6
259.23047	0.9
277.21640	72.4
295.22757	4.4
313.27377	2.9
314.27893	1.3
351.25415	2.4
385.55072	1.0
522.39227	0.9
589.48346	82.5
590.48645	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	589.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.7
55.01875	10.9
55.05269	3.3
55.05516	38.7
55.11728	1.9
57.03428	8.1
57.07075	2.7
63.00672	1.9
65.03948	2.8
67.05509	74.2
67.54168	1.8
69.03426	8.3
69.07078	29.7
71.04993	7.6
71.08603	1.9
77.03920	2.3
79.05498	85.5
79.09597	1.7
81.03427	14.8
81.07064	66.5
83.04980	14.2
83.08623	17.0
85.02910	2.8
85.06569	2.5
85.70937	1.7
87.23856	2.1
91.05489	60.4
93.06483	3.6
93.07049	64.9
95.04977	30.9
95.08616	35.7
97.02904	5.3
97.06553	9.3
97.10172	17.3
99.04417	2.8
99.08105	2.4
103.05475	2.2
105.04502	2.9
105.07042	51.5
105.07679	1.7
107.04958	13.4
107.08601	30.6
109.02890	5.1
109.06516	8.7
109.10174	13.5
111.04451	2.8
111.08096	5.7
115.01638	1.8
115.05477	2.5
117.07026	17.5
119.04943	3.9
119.08591	35.6
121.06508	10.4
121.10123	10.9
123.08086	16.8
123.11720	4.8
125.09631	15.0
128.06200	3.1
129.07019	16.2
131.04927	2.6
131.08562	18.6
133.06519	9.3
133.10135	18.1
134.07336	2.0
135.08084	6.6
135.11710	9.1
137.09590	4.4
141.06985	4.6
142.07793	5.3
143.08580	9.4
145.06490	3.9
145.10136	14.5
147.04314	2.5
147.08040	15.8
147.11696	24.9
149.09639	4.2
149.13261	3.4
155.08543	5.3
157.06526	2.2
157.10173	7.4
159.11723	7.9
161.09633	6.4
161.13232	10.2
163.11180	5.8
165.09177	4.5
169.10184	3.9
169.12276	3.6
171.11670	20.8
173.13226	4.5
175.11246	3.9
177.12756	3.7
181.10176	2.8
183.11700	2.9
185.13234	1.9
187.13326	2.6
189.11214	7.1
189.12799	9.3
191.10669	1.9
193.12350	3.5
199.11217	2.5
207.13756	18.2
211.13257	3.5
223.13330	17.6
227.12750	10.6
227.18332	2.2
229.53433	2.2
245.19095	3.3
249.15001	5.0
255.17383	2.9
265.75558	2.4
267.16022	4.1
269.17706	2.8
273.18530	20.5
275.20145	3.8
281.14694	3.1
281.17529	35.6
291.19565	100.0
303.15903	3.5
347.22299	2.8
365.23190	22.6
377.19403	2.9
386.99854	1.8
451.27036	2.5
473.29062	4.5
543.36169	2.0
553.34985	4.7
571.36420	81.0
589.34564	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	588.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	8.0
55.05504	32.1
57.03440	20.1
57.07071	44.7
65.03960	8.5
67.05505	52.3
69.07069	56.5
71.08626	35.5
71.51921	9.6
77.66089	6.1
78.63088	7.1
79.05498	41.2
81.03427	66.8
81.07042	49.0
83.08614	40.9
85.10197	17.4
91.05476	33.9
93.07046	22.2
95.04957	24.8
95.08611	41.3
97.06525	16.9
97.10169	19.8
105.07025	37.6
107.04943	14.4
107.08614	25.4
109.10159	21.2
117.07012	18.5
119.08587	21.8
121.10152	11.7
124.95917	7.4
129.06963	11.6
131.08569	25.5
133.10133	17.8
135.11691	8.3
145.10138	24.8
147.11673	25.5
149.09612	7.7
159.11665	16.0
163.11224	11.0
173.13306	9.0
193.12231	14.2
257.19055	19.1
258.19318	12.4
259.20767	7.5
267.15897	100.0
275.20181	15.6
276.20370	23.9
311.25797	52.4
313.27451	18.0
314.27554	9.5
367.26862	8.8
369.61725	7.2
429.08911	7.9
503.37253	52.0
521.37457	8.9
588.39813	11.7
588.47192	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35313	3.7
55.01863	7.7
55.05512	29.1
57.03433	17.5
57.07077	31.0
58.07398	4.1
66.39984	4.2
67.05509	31.9
69.07072	35.2
71.08631	18.5
74.23333	4.2
74.50380	5.5
79.05497	26.2
81.03424	60.2
81.07064	33.6
83.05005	5.6
83.08625	33.0
85.10178	7.7
91.05507	22.1
93.07036	26.2
95.04980	15.1
95.08592	27.1
97.10161	13.5
98.21612	8.8
105.07039	20.2
107.04945	8.1
107.08598	15.3
107.94659	4.1
109.06548	5.3
109.10141	15.5
115.05511	4.6
117.07017	5.1
119.08594	15.2
121.06545	4.2
121.10155	10.3
125.09574	4.7
126.57186	4.2
129.06964	8.2
131.08577	10.1
133.10178	9.8
145.10139	9.8
147.07991	4.8
147.11734	5.8
149.09621	10.4
151.11200	4.4
157.10107	10.0
193.12288	19.2
205.12308	4.7
223.13304	6.2
229.14365	9.1
257.19098	5.8
267.15918	100.0
275.20157	9.3
276.20407	7.7
297.17117	8.8
311.25787	54.2
313.27307	20.5
450.46506	4.4
467.37515	6.2
472.35904	4.6
503.37500	58.1
553.41357	5.9
588.47266	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	588.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00830	0.1
53.03950	0.2
54.15187	0.2
55.05505	0.5
56.05029	0.5
57.03425	0.3
57.16720	0.2
57.35143	0.2
58.06371	0.2
58.06612	0.3
60.08166	6.5
67.05509	1.3
69.07063	0.5
69.33737	0.2
70.13426	0.8
71.04987	0.2
71.07379	3.5
72.16113	0.2
79.05488	0.8
81.03440	0.3
81.07060	1.1
83.04989	0.3
86.09709	30.0
91.05463	0.9
93.07049	0.7
95.04981	0.6
95.08606	0.5
97.06541	0.3
98.98464	3.5
104.10750	3.3
105.07015	0.4
107.04962	0.2
107.08598	0.5
109.06493	0.2
115.05424	0.3
117.07005	0.2
119.08564	0.4
121.06551	0.2
121.10158	0.2
123.08130	0.3
125.00012	21.7
125.09665	0.2
129.07010	0.2
131.08569	0.5
133.10100	0.3
143.08580	0.4
145.10126	0.2
149.09641	0.2
157.10072	0.2
173.05960	0.2
179.14389	0.2
184.07347	100.0
185.07651	0.4
227.12773	0.2
251.54567	0.2
258.10968	0.2
258.71692	0.2
301.14548	0.3
302.14594	0.3
387.37469	0.2
512.45892	0.2
570.36359	0.9
588.37305	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	586.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70062	0.8
59.05003	1.1
67.05460	1.2
69.07052	1.4
70.02940	1.1
71.50817	1.4
72.04520	5.0
73.02924	1.1
78.92417	0.9
82.29642	0.9
85.02898	3.0
85.06548	3.0
90.05559	35.6
95.04981	2.0
96.13514	1.0
97.02906	1.0
98.02423	5.5
98.13804	0.9
103.07571	2.8
113.06062	1.2
116.03455	5.7
118.06548	2.4
124.07619	7.1
142.08615	2.3
146.06035	10.7
153.01836	1.7
174.11311	1.1
184.09686	7.4
188.07092	11.9
202.10759	13.5
205.09677	3.0
220.11818	100.0
221.12109	1.2
324.65686	1.0
420.49289	1.0
455.99124	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3219
Annotation	5-Oxoavermectin ''2b'' aglycone
Peak:m/z	Relative Intensity
51.02363	2.2
52.86637	1.9
53.03939	8.2
53.84307	2.0
55.01886	11.0
55.05513	33.8
57.03453	9.4
65.03937	6.6
67.05511	56.0
69.03422	4.9
69.07081	17.3
69.18591	4.4
69.19000	15.8
71.01362	2.7
71.05002	4.9
71.88396	2.0
79.05072	3.5
79.05502	53.6
81.03430	31.7
81.06586	4.0
81.07064	69.5
83.04974	8.7
83.08624	15.0
85.06553	3.3
91.05490	56.5
93.07049	43.8
95.04977	47.9
95.08612	29.9
97.02906	5.2
97.06524	7.0
97.10171	11.2
100.25500	1.9
103.05478	5.6
105.03399	3.1
105.07043	33.2
107.04975	17.6
107.08603	24.7
109.02879	13.2
109.06520	8.1
109.10158	6.8
111.04469	5.2
111.08071	4.8
115.05479	10.5
117.07020	24.2
119.04194	2.1
119.04961	8.8
119.08583	20.6
121.02856	3.8
121.06513	14.2
121.10134	13.6
123.04452	6.0
123.08068	5.6
123.11742	4.9
125.09632	8.3
128.06262	5.1
129.07010	18.3
131.04964	14.9
131.08574	21.0
133.06506	15.7
133.10164	13.2
135.04414	3.8
135.08093	5.8
135.11694	5.0
137.02347	4.8
137.06010	3.6
141.07021	7.3
143.04890	1.9
143.08549	11.3
143.97987	2.1
145.06508	22.0
145.10124	9.7
147.04417	11.0
147.08073	8.9
147.11702	6.0
149.05978	6.6
149.09637	4.9
149.13307	8.0
151.11137	2.6
153.07047	2.5
153.09120	3.3
155.08574	10.8
157.06497	7.9
157.10162	6.2
159.04453	3.0
159.08093	11.2
159.11722	5.8
160.05231	3.3
161.05978	19.7
161.09653	7.6
163.07475	2.3
163.11179	12.1
165.06934	2.9
165.12843	3.7
166.07770	2.2
167.08588	5.8
169.06506	4.9
169.10147	5.4
171.04439	3.9
171.08038	10.9
171.11711	5.0
173.06020	17.7
173.09718	5.3
173.13141	2.9
174.06776	6.4
175.07579	5.8
175.11195	5.9
176.68793	2.0
177.12769	3.5
179.08606	4.1
181.06499	2.5
181.10123	4.3
183.08052	5.4
183.11803	2.4
185.05995	5.4
185.09592	4.6
185.13307	2.2
187.07549	10.6
187.11195	2.2
189.03888	3.0
189.05490	22.9
189.09180	2.9
189.11243	3.8
193.10199	3.6
193.12175	5.0
195.08037	7.5
195.13821	6.9
197.09677	4.7
199.07533	4.0
201.12752	2.3
203.10710	3.1
209.09665	2.4
209.13467	2.4
211.07628	4.0
211.11234	3.5
217.10446	1.9
221.09610	3.3
223.11192	3.8
223.92348	2.3
225.08958	2.6
227.12697	3.0
237.09105	3.8
241.12170	2.4
243.13834	3.2
245.15553	2.4
255.13887	6.3
257.15417	4.4
269.17471	17.5
271.13138	2.4
273.14948	25.3
283.13364	8.8
283.16635	2.9
285.14682	13.7
287.16458	2.8
289.14465	6.2
293.15378	2.3
300.46045	2.3
301.14355	71.5
303.15921	8.3
313.17831	2.5
319.15402	10.8
325.17972	4.7
357.16895	4.0
375.18222	16.2
393.19107	5.3
449.27048	5.3
459.25558	3.1
477.26602	7.6
495.27402	9.2
509.29022	3.3
513.28534	6.3
523.30731	3.1
527.29987	5.0
539.30347	2.2
541.31451	8.2
543.29688	2.8
551.29883	14.5
557.31348	17.0
569.31134	64.6
587.32153	100.0
588.32574	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	585.1242
Annotation	6''-hydroxybenzoylhyperin
Peak:m/z	Relative Intensity
53.03960	2.4
55.01878	1.2
57.03439	0.6
62.54700	0.5
65.03938	2.9
68.99796	1.3
69.03432	3.9
70.19665	0.6
70.62584	1.1
70.62911	0.6
71.01339	0.6
71.04995	0.8
81.03426	16.4
84.08150	0.6
85.02932	3.5
91.05457	0.5
93.03415	2.0
95.04984	3.2
97.02893	6.8
99.04459	1.4
107.01309	0.8
109.02898	6.0
111.00830	0.6
111.04453	4.6
119.04925	0.5
121.02879	62.8
121.03893	2.0
127.03930	5.3
134.19667	0.5
137.02361	100.0
137.03430	8.2
139.03909	6.6
145.04996	1.1
153.01845	8.4
155.03403	10.5
164.62222	0.6
165.01898	1.1
213.05695	0.7
229.05055	1.9
241.04988	0.9
257.04446	0.5
258.05298	0.7
265.07092	5.7
271.06042	26.7
281.06567	9.0
283.08185	1.5
287.05530	57.6
288.05679	0.6
299.07748	2.6
303.05020	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	585.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.5
54.63639	1.9
55.01880	13.0
55.05265	3.2
55.05513	38.8
57.03440	7.3
57.15717	2.0
61.25222	1.9
67.05504	41.5
67.22955	1.7
69.03434	8.0
69.07071	8.6
70.06588	4.6
71.04972	4.5
71.25430	3.1
71.51685	1.8
74.64320	1.8
79.05500	48.3
81.03417	42.6
81.07063	42.9
83.04971	10.4
83.08620	20.4
84.08128	4.5
85.02896	16.6
85.06544	4.5
86.09695	3.7
91.05486	40.0
92.07822	1.8
93.03387	2.1
93.07050	30.0
95.01357	2.4
95.04984	36.8
95.08617	16.9
97.02914	4.4
97.06527	5.5
97.10175	19.2
101.62431	2.0
103.05468	4.5
105.03378	5.7
105.07041	29.0
107.04955	16.0
107.08613	17.9
109.02886	82.8
109.06530	6.3
109.10146	10.7
111.04458	5.7
111.08101	5.6
115.05470	8.6
117.07021	10.5
119.05007	5.6
119.08598	18.3
121.02876	8.1
121.06543	13.1
121.10149	9.3
123.04478	3.1
123.08081	4.7
123.11667	3.2
125.02399	2.6
125.09631	14.0
126.47353	2.0
127.03938	2.5
128.06242	5.8
129.07030	18.8
131.04915	11.4
131.08577	15.2
133.06529	11.1
133.10127	11.3
135.04434	6.3
135.08032	6.5
135.11707	5.0
137.02368	6.3
137.05948	4.1
137.09630	3.6
141.07024	6.3
143.08612	8.3
145.06497	15.7
145.10165	9.2
147.04405	10.6
147.08107	6.9
147.11702	8.1
149.01477	1.9
149.06007	4.3
149.09641	7.5
153.01852	16.4
153.06963	4.0
153.09099	3.0
155.08621	7.0
157.06520	8.7
157.10146	9.3
159.04472	3.9
159.08095	6.7
159.11687	2.9
161.06007	22.2
161.09627	7.4
163.07533	2.5
163.09995	2.0
163.11192	11.8
165.07031	2.4
165.12796	2.2
166.07825	2.9
167.08641	4.9
169.06508	5.4
169.10133	6.5
171.04465	3.2
171.08133	7.0
171.11702	2.1
173.05992	11.2
173.09630	5.6
174.06790	4.8
175.11232	8.8
175.23352	2.1
179.08611	2.2
181.06543	3.6
181.10144	4.6
183.08070	6.8
183.11661	2.8
184.07401	7.7
185.06029	7.1
185.07724	2.6
185.09705	5.3
187.07535	9.4
189.05495	25.7
189.09196	4.5
189.11252	6.8
190.06236	4.6
193.10495	2.9
193.12270	13.6
195.08188	5.5
197.06024	4.7
197.09685	4.1
199.07681	4.5
199.11150	2.7
201.09079	2.6
201.12703	2.1
203.07063	4.4
203.10641	2.6
209.13351	3.1
211.07649	8.5
211.11469	3.8
211.13211	15.2
211.14977	1.8
219.11833	2.6
219.13966	2.4
225.09259	4.0
227.12766	4.8
237.09088	2.3
255.13921	8.8
255.17871	2.2
267.15927	4.0
273.14874	26.6
283.13312	7.6
285.14828	5.6
301.10910	4.9
301.14352	96.2
303.04971	2.3
303.16260	2.4
319.15561	8.9
321.15015	2.7
323.16455	12.6
325.14383	4.7
327.16034	2.4
339.16174	3.3
341.17493	13.9
343.15454	5.4
357.17081	4.1
375.18082	4.9
447.25464	7.1
457.23560	4.6
465.26694	4.4
475.24826	8.7
493.25925	18.5
511.27084	10.3
529.27716	2.5
539.30145	2.8
549.28369	8.7
555.29596	5.8
567.29596	43.4
585.30560	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	585.1245
Annotation	Quercetin 3-(6''-p-hydroxybenzoylgalactoside)
Peak:m/z	Relative Intensity
53.03951	0.8
55.01861	0.7
61.73738	0.3
63.18176	0.3
65.03939	0.4
67.54211	0.3
68.99808	0.6
69.03419	0.3
69.62183	0.3
70.01521	0.3
70.06603	0.4
70.75339	0.7
70.75684	0.3
71.01358	0.8
71.32209	0.3
72.12167	0.3
81.03419	3.1
81.09299	0.3
84.08141	0.3
85.02908	1.1
93.03426	0.8
97.02902	0.6
107.01284	0.4
109.02880	1.5
111.00793	0.7
111.04477	1.3
121.02887	2.6
127.03914	1.5
137.02354	100.0
137.03418	8.0
138.02660	1.0
147.04430	0.6
151.03992	0.3
153.01814	3.6
155.03450	0.9
155.27516	0.3
157.06479	0.5
165.01880	1.8
183.02933	0.6
185.06001	0.4
213.05508	1.2
231.06541	0.4
241.04993	0.9
258.05307	1.2
259.05972	0.4
266.64536	0.3
281.06494	0.7
287.05515	75.1
288.05853	1.0
299.07770	4.7
329.06613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01852	3.7
55.05507	9.3
57.07079	20.8
57.07312	3.7
62.80296	2.9
67.05516	28.4
69.03434	10.0
69.07056	13.2
70.06580	8.7
71.08611	6.4
73.42495	3.4
79.05499	31.5
80.05869	4.1
80.06289	4.1
81.07051	49.1
83.04962	7.3
83.08597	6.7
85.06548	5.6
85.10196	4.6
89.06031	39.6
91.05490	52.3
93.07054	52.5
95.04988	24.4
95.08605	28.2
97.06558	4.7
105.07036	66.6
106.07314	5.7
107.08606	45.9
109.06498	13.8
109.10137	11.2
115.05472	4.2
116.66084	3.2
117.07028	29.8
119.08578	87.2
121.06520	6.2
121.10136	23.1
123.08065	32.2
123.11730	5.7
128.06197	11.2
129.07031	19.8
130.07785	7.6
131.08585	48.9
132.09410	5.5
133.08629	20.0
133.10143	36.2
134.10605	3.5
135.08035	15.0
135.11682	7.9
136.12057	3.5
137.09610	14.8
138.10400	4.9
141.06976	8.4
142.07771	16.3
143.08578	53.0
144.09319	10.8
145.10132	89.8
145.11299	4.9
145.83653	3.9
146.10454	3.6
147.08052	31.8
147.11679	10.3
149.09595	13.5
151.07527	10.1
151.11133	4.5
153.06877	4.2
155.08553	9.9
156.09343	14.3
157.10139	69.3
158.10931	18.8
159.08037	9.5
159.11710	34.8
161.09605	13.7
161.13284	6.6
163.11189	13.2
163.88387	3.7
165.09108	41.4
166.07832	4.5
167.08562	8.6
168.09427	5.8
169.10146	21.2
170.10858	6.7
171.11720	33.1
172.12337	7.9
173.09619	9.5
173.13260	15.4
175.11182	14.8
175.14767	8.9
176.15144	3.9
177.11241	8.4
179.08630	4.1
179.10611	3.7
180.09268	6.0
181.10117	18.9
181.12285	8.8
182.10822	8.2
183.11742	21.3
184.12328	3.8
185.13269	12.9
187.11151	5.4
187.14801	8.2
189.12750	12.7
189.72119	3.4
190.13493	8.1
191.14287	6.3
193.10146	8.5
193.12280	9.3
194.10851	4.9
195.11644	16.1
195.13611	5.7
196.12424	6.1
197.09547	3.9
197.13242	14.7
199.11047	3.5
199.14774	4.2
201.12790	6.2
203.14388	18.9
205.12135	4.2
206.11017	3.4
207.11740	6.2
207.13838	9.0
208.12469	5.7
208.14569	7.3
209.13249	14.7
211.14830	9.9
213.12741	5.8
221.13422	6.9
221.15375	75.5
222.15726	11.0
223.14786	9.8
224.11909	3.8
224.15477	3.9
225.12749	4.3
225.16365	6.2
234.16168	9.5
235.14821	5.7
237.12674	7.7
237.16368	6.7
247.16927	9.5
249.16530	4.2
259.16833	6.1
261.16354	5.9
271.16861	5.3
273.18521	4.8
274.19254	19.8
287.20050	14.0
299.20099	7.2
300.20795	14.7
300.28891	9.6
311.29446	15.9
313.21567	5.5
325.21637	11.9
337.21671	10.4
352.20267	3.2
352.23965	89.1
353.24265	4.8
365.24734	24.2
366.25571	15.6
371.22745	4.2
404.30618	4.0
412.29364	3.7
426.04279	3.8
426.40387	3.5
438.31366	7.4
446.31674	5.7
491.35065	13.9
492.35428	10.6
504.35995	100.0
537.80072	4.2
584.42029	34.3
584.56067	42.3
592.51489	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	583.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.6
55.01886	1.4
55.05515	7.4
57.07074	5.9
59.05007	3.4
65.03939	1.7
67.05511	14.7
69.03429	8.9
69.07064	7.5
69.25874	7.8
71.04988	1.3
79.05505	13.7
81.03395	1.3
81.07059	20.2
83.04977	3.2
83.08636	2.7
85.06566	1.9
91.05486	21.4
93.07049	29.1
95.04966	5.3
95.08620	18.8
95.09200	0.7
97.06550	3.3
98.21457	2.0
103.05488	2.1
105.04641	1.0
105.07035	36.6
107.08598	22.6
109.06532	5.3
109.10172	12.1
111.08102	3.9
115.05457	1.5
117.07039	7.3
119.08588	37.2
121.06507	3.2
121.10153	18.8
122.07306	1.9
123.08063	13.0
123.11723	2.6
125.06020	1.4
128.06256	4.0
129.07027	5.3
130.07796	4.6
131.08571	15.4
133.06528	1.9
133.10136	21.3
135.08052	11.4
135.11699	11.1
137.09624	15.4
139.07597	1.2
141.07010	4.4
142.07782	7.5
143.08560	12.3
144.09346	3.0
145.06529	1.7
145.10132	28.8
147.08060	20.1
147.11670	8.4
149.09695	4.4
151.07549	7.6
151.11266	2.0
153.07072	1.5
155.08578	5.2
156.09354	7.9
157.10136	18.8
158.10910	2.1
159.08109	1.1
159.11697	12.4
161.09622	4.5
161.13260	6.5
163.11177	4.7
165.09126	40.3
166.07799	1.8
167.08572	2.5
168.09377	1.7
169.10129	9.0
170.10941	3.3
171.11696	9.9
172.12622	1.0
173.09702	2.6
173.13275	8.7
175.11226	2.4
175.14827	7.0
179.08614	3.2
179.10742	1.2
180.09334	1.4
181.10117	4.8
181.12282	4.6
182.10980	2.7
183.11726	9.4
185.13307	8.3
187.11243	1.7
187.14815	6.3
189.12727	5.0
191.14374	1.9
192.09407	1.2
193.10139	3.7
194.10991	2.7
195.11668	5.8
196.12442	1.3
197.11734	1.6
197.13303	6.7
199.11292	1.3
199.14809	2.3
201.16386	2.4
203.14328	14.8
206.10849	1.8
207.11771	5.2
207.13834	4.3
208.12579	0.9
209.13303	7.6
209.15210	1.7
211.14859	4.1
213.12979	1.2
217.15819	1.0
218.10870	1.6
219.11708	1.9
220.12598	1.2
221.13438	4.2
221.15373	100.0
223.14871	4.7
225.16466	2.1
233.13448	1.3
235.14879	4.0
237.16505	2.8
245.13443	1.2
247.14876	1.9
247.17081	1.3
249.16449	1.6
249.94194	1.0
251.18129	1.3
253.19734	1.1
261.16400	2.0
263.18094	2.1
265.19608	1.7
269.18988	1.0
275.17899	1.4
277.19717	1.0
283.20673	2.1
287.20233	1.8
289.19656	1.5
291.17630	1.3
299.20209	1.3
309.22076	1.0
311.20087	1.5
325.21771	1.3
349.25677	1.4
352.24002	2.3
354.59619	1.1
355.32150	0.9
357.25891	1.5
365.24710	2.2
367.26364	1.7
375.26868	2.1
378.25735	1.1
399.18356	1.0
403.30148	1.4
411.29150	1.5
437.30618	1.3
473.33984	5.5
491.35184	13.4
493.54642	1.2
503.35349	3.1
565.40222	6.2
583.41534	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67067	1.7
53.03934	5.2
55.05515	12.9
56.66290	1.8
57.07077	11.8
59.05000	4.0
65.03941	3.7
67.05509	27.0
69.03426	8.0
69.07076	19.0
70.96254	1.8
79.05491	27.6
81.07061	34.5
83.04970	8.2
83.08621	10.2
85.06574	4.4
91.05489	52.1
93.07054	63.2
95.04978	11.1
95.08617	39.7
97.06543	5.7
97.10141	3.1
103.05457	3.9
105.07040	70.6
107.04971	2.8
107.08604	47.8
109.06518	8.7
109.10152	15.7
111.08121	1.8
115.05443	4.5
117.07036	15.8
119.08594	84.7
121.06516	8.4
121.10149	44.9
123.08086	19.6
123.11695	5.3
125.06011	3.7
125.09644	2.0
128.06224	13.2
129.07036	17.8
130.07785	6.4
131.08565	31.2
133.06546	4.4
133.10136	40.7
135.08057	14.6
135.08948	2.6
135.11681	14.3
137.09636	11.0
139.11209	2.3
141.07010	8.9
142.07791	26.4
143.08569	43.6
144.09331	6.9
145.06537	2.0
145.10139	46.9
147.08046	22.6
147.11687	14.6
149.09644	6.7
149.13289	3.9
151.07549	14.9
153.07025	3.8
154.07811	4.7
155.08586	18.2
156.09340	20.2
157.10143	49.2
158.10954	8.2
159.08073	3.9
159.11702	27.8
161.09630	7.4
161.13286	7.1
163.11218	8.9
165.07030	9.1
165.09106	36.8
166.07838	4.2
167.08575	10.5
167.10660	11.4
168.09370	9.6
169.10138	30.8
170.10889	9.2
171.11703	27.0
172.12465	2.8
173.09712	4.2
173.13258	23.2
175.11229	4.9
175.14813	9.3
177.09169	2.2
179.08560	18.7
180.09392	6.4
181.10143	15.4
181.12201	9.0
182.10944	10.2
183.11713	26.4
184.12476	6.6
185.13235	20.2
187.11255	2.7
187.14882	6.2
189.12743	7.1
191.14311	14.8
192.09393	5.3
193.10149	14.4
194.10942	13.3
195.11717	22.8
196.12477	7.1
197.13278	21.8
199.11189	3.5
199.14862	17.3
201.12746	3.1
202.07895	2.5
203.14325	18.5
204.09198	2.6
205.10161	3.2
206.10852	9.6
207.11714	17.3
207.13828	7.9
208.12584	8.0
209.13274	28.8
210.14040	3.5
211.11246	2.3
211.14908	11.7
213.16476	4.3
215.14270	2.6
217.10143	3.5
217.15984	9.4
218.10999	2.8
219.11728	6.5
220.12531	6.8
221.13281	19.5
221.15425	71.4
222.14053	6.0
223.14850	14.3
224.15636	5.6
225.16423	8.3
227.14421	2.6
229.10335	3.0
230.10948	2.4
231.11690	6.8
232.12498	3.6
233.13260	10.6
233.15479	5.3
234.14105	6.4
235.14828	13.8
236.15625	3.2
237.16400	9.7
239.17897	2.9
241.15755	2.1
243.11707	3.5
244.12463	2.7
245.13307	9.4
246.13974	3.9
247.14742	11.7
247.17003	2.2
248.15604	3.1
249.16460	8.2
251.18040	4.5
253.19632	3.4
257.13226	3.6
257.19049	5.6
258.14111	3.1
259.14871	7.8
260.15555	4.9
261.16397	10.2
263.18024	6.9
265.19568	4.8
269.19055	2.7
271.20465	2.1
272.15701	2.8
273.16501	6.6
274.17068	3.6
275.17941	12.6
276.18637	2.8
277.16550	2.1
277.19525	3.7
279.17773	2.3
279.21204	2.1
281.18994	3.2
283.14893	3.1
283.20599	15.0
284.15698	2.4
286.19489	3.0
287.20441	3.5
289.19327	3.0
290.20206	2.3
295.20660	5.7
297.22141	4.3
307.20593	4.2
315.21072	2.3
317.22754	2.2
331.24310	3.8
333.22296	2.5
349.25305	8.4
361.25241	2.8
365.25031	4.3
375.26941	8.1
403.29898	6.7
491.35144	6.0
503.35382	7.4
509.34055	3.6
521.94537	2.1
547.39319	4.0
565.40485	25.2
583.41455	100.0
584.41064	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.8
55.01875	2.5
55.05518	14.4
57.07076	12.3
65.03936	7.6
67.05503	24.3
69.03423	7.9
69.07072	18.1
69.30315	17.8
79.05499	27.3
81.07059	31.0
83.04990	8.3
83.08629	10.8
85.06550	5.3
91.05491	48.6
93.07050	54.8
95.04978	6.7
95.08049	3.5
95.08614	33.8
97.06549	6.8
98.42882	1.9
103.05460	5.0
105.04535	1.8
105.07042	72.4
107.08608	43.4
109.06531	8.4
109.09473	2.3
109.10175	22.3
111.08086	2.5
111.51584	2.0
115.05474	5.9
116.06183	3.2
117.07032	17.5
119.08591	79.8
121.06490	4.5
121.10155	51.0
123.08080	20.5
123.11720	6.8
125.05998	3.2
125.09682	3.1
128.06194	13.4
129.07011	17.3
130.07820	10.4
131.08566	37.8
133.10146	42.0
135.08093	12.2
135.11725	15.1
137.09595	11.4
139.11168	4.7
141.07002	10.3
142.00304	1.8
142.07788	27.8
142.08820	2.6
143.01299	1.9
143.08560	43.5
144.09344	7.8
145.10130	52.5
147.08069	19.3
147.11693	15.2
149.09615	7.8
149.13310	3.8
151.07568	18.6
151.11073	2.7
153.07018	4.0
154.07784	3.8
155.08588	22.3
156.09364	21.1
157.10146	61.0
158.10939	7.0
159.08087	5.6
159.11693	28.1
161.09641	6.9
161.13254	7.6
163.11157	10.1
165.07011	7.7
165.09132	38.9
166.07797	4.7
167.08597	11.7
167.10658	12.3
168.09360	8.1
169.10135	33.6
170.10899	10.7
171.11685	34.3
172.12512	5.0
173.09636	4.2
173.13269	27.4
175.11220	3.5
175.14796	11.2
179.08575	16.9
180.09326	8.9
181.10110	16.3
181.12297	4.9
182.10910	7.1
183.11711	29.6
184.12546	7.2
185.09654	2.2
185.13231	20.2
187.11238	2.7
187.14828	7.7
189.12784	6.2
191.14415	9.4
192.09389	4.0
193.10123	14.7
194.10905	13.7
195.11719	25.2
196.12502	6.7
197.13261	24.9
198.14035	2.5
199.11171	4.2
199.14841	17.5
201.16417	2.5
203.08591	2.5
203.14334	17.1
205.10167	4.6
206.10960	8.5
207.11710	17.8
207.13844	8.2
208.12451	7.9
209.13312	24.4
210.13963	4.4
211.14850	10.5
212.15578	2.2
213.16402	5.1
217.10156	4.1
217.15924	6.2
218.11038	3.5
219.11809	9.3
220.12509	5.3
221.13281	21.0
221.15427	72.9
222.14000	4.9
223.14803	13.5
224.15527	2.3
225.16435	7.3
227.14349	4.7
230.10864	2.5
231.11763	7.9
231.17519	2.5
232.12392	2.3
233.13202	7.3
233.15477	6.8
234.14128	5.7
235.14836	12.8
236.15633	3.7
237.16446	7.1
239.17984	3.6
241.15976	2.2
243.11723	2.7
245.13307	5.8
246.14006	4.9
247.14853	11.8
248.15616	2.9
249.16458	9.5
250.17332	2.4
251.17999	4.2
253.15970	2.8
253.19685	3.1
257.13193	2.5
257.19012	7.0
258.14066	3.1
259.14871	8.2
260.15692	3.5
261.16415	11.8
263.18155	9.4
265.19641	6.4
267.17480	2.0
269.13449	2.3
269.19086	4.8
271.14780	2.6
271.20557	3.6
272.15610	3.2
273.16190	2.7
275.17828	14.0
277.19547	5.4
281.19183	2.3
283.15048	2.7
283.20676	14.9
285.16391	2.8
287.20316	3.8
289.19583	4.9
293.19128	3.0
295.20551	4.5
297.22238	5.6
299.20398	2.7
300.20850	3.6
301.21823	2.5
307.20523	3.9
317.22781	2.4
331.24222	7.4
333.22348	2.8
347.23590	3.1
349.25323	7.8
357.25815	3.3
361.25211	2.7
365.24744	3.7
375.26889	7.6
403.30124	7.6
491.35193	6.6
503.35110	5.5
509.34778	2.8
547.38965	3.0
565.40399	25.6
583.41504	100.0
584.41705	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	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.0
55.05511	8.6
57.07080	6.2
59.04993	2.2
65.03951	1.6
67.05509	20.1
69.03428	6.1
69.07069	10.8
79.05499	15.8
81.03429	1.8
81.07059	19.8
83.04973	2.3
83.08619	4.4
85.06553	3.7
88.15932	1.1
91.05482	23.3
93.07051	32.4
95.04976	7.4
95.08610	28.5
95.09178	2.3
97.06532	2.9
103.05457	2.7
105.07037	38.1
107.08595	20.4
109.06535	5.8
109.10178	10.5
111.08081	2.2
115.05457	2.3
117.07027	7.9
119.08584	36.1
121.06536	5.3
121.10146	25.3
123.08070	20.3
123.11707	2.9
125.06017	2.0
128.06247	4.0
129.07021	9.9
130.07747	2.3
131.08575	15.6
133.06509	1.8
133.10132	21.2
135.08058	11.3
135.11734	5.3
136.64885	1.1
137.09615	12.1
139.11206	2.8
141.07022	4.7
142.07768	10.2
143.08559	19.2
144.09364	3.5
145.10133	25.2
147.08047	18.9
147.11708	8.0
149.09636	3.8
151.07541	23.1
153.06973	2.3
154.07765	2.0
155.08560	8.8
156.09346	9.7
157.10149	29.5
158.10858	3.5
159.08121	3.4
159.11710	17.5
161.09642	4.5
161.13309	5.5
163.11288	2.7
165.06995	3.2
165.09119	36.2
167.08612	5.4
167.10774	2.5
168.09357	4.1
169.10120	13.0
170.10924	5.2
171.11699	17.5
172.12378	1.3
173.09668	2.5
173.13271	11.5
175.11160	3.2
175.14848	4.0
177.09192	2.6
177.12698	1.4
179.08508	6.1
179.10777	1.5
179.83139	1.1
180.09393	3.6
181.10117	9.5
181.12241	3.0
182.10983	5.3
183.11703	16.3
184.12431	2.1
185.13271	14.6
187.11246	1.6
187.14832	3.9
189.12782	7.4
189.14195	1.3
191.14320	2.4
192.09349	1.9
193.10094	7.3
194.10930	5.1
195.11702	10.5
196.12508	3.6
197.13263	14.4
198.13954	1.6
199.11244	1.6
199.14832	5.9
201.12808	1.9
203.14322	14.9
205.10133	1.5
206.10942	3.7
207.11731	9.0
207.13860	7.3
208.12498	3.6
209.13304	14.7
209.15140	2.2
210.14108	1.5
211.11267	1.5
211.14828	7.4
212.15730	1.4
213.12590	1.6
213.16374	2.7
215.14383	2.4
217.10220	3.1
218.10976	2.7
219.11694	4.5
220.12428	2.4
221.13286	8.4
221.15347	68.1
222.13980	2.9
223.14809	9.1
225.12758	1.5
225.16368	3.0
227.14404	1.7
227.17725	1.4
229.15791	1.8
230.10902	1.9
231.11746	2.2
231.17520	3.2
233.13266	6.1
233.15436	2.7
234.14030	1.9
235.14723	6.4
236.15640	2.0
237.16432	4.2
239.17891	1.5
241.15945	1.7
243.11874	1.8
245.13303	2.7
247.14893	3.9
249.16490	5.3
251.18060	2.8
253.16054	1.3
253.19560	3.8
255.17480	1.3
257.19052	2.9
259.14673	1.8
261.16360	4.0
263.18149	2.8
265.19586	3.0
267.17688	1.4
269.18988	1.5
271.20609	2.5
273.16379	2.6
275.17932	2.5
277.19626	2.8
281.19049	2.5
283.20630	3.3
285.16129	1.8
286.19559	1.8
287.20190	3.9
289.19412	1.6
295.20609	5.8
297.22195	5.3
299.20319	1.7
301.19507	1.7
305.22647	1.5
309.22107	1.7
333.22217	1.8
349.25305	3.2
352.23877	1.6
357.25745	3.1
365.24820	4.1
375.26801	7.4
385.29034	1.7
403.29965	12.1
491.35004	3.5
503.34930	6.6
509.34357	3.8
547.39319	3.4
565.40369	30.2
566.40747	1.4
583.41461	100.0
584.41595	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	583.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.1
55.01856	4.3
55.05515	24.4
57.03442	9.1
59.04995	4.2
65.03938	3.5
67.05509	100.0
69.03436	18.0
69.07067	5.6
70.21401	3.4
70.21802	3.1
70.37776	1.2
71.01361	2.3
71.04999	6.9
73.02907	1.5
79.05502	20.2
81.03421	83.2
81.07066	28.9
82.03708	1.4
83.04992	15.5
83.08626	14.7
85.02920	15.9
85.06564	1.7
87.08055	1.5
91.05489	28.5
93.07059	13.8
95.04969	18.5
95.08621	10.9
97.02891	14.7
97.06538	3.3
97.10201	6.6
99.04468	5.1
103.40780	1.5
105.07037	15.8
107.04969	8.1
107.08584	11.7
109.02878	18.2
109.06549	1.6
109.10165	54.1
111.04458	14.6
111.08098	7.4
117.07055	3.9
119.08591	20.5
121.06496	4.2
121.10170	8.8
123.04407	2.4
123.08107	2.9
123.11764	2.5
125.09651	5.3
127.03941	14.0
129.05481	2.5
129.07008	7.0
131.04904	1.7
131.08572	8.3
133.06502	1.8
133.10152	6.0
135.11749	1.7
137.06044	1.8
137.09630	3.8
145.10143	3.1
147.04411	1.7
147.07985	1.5
147.11652	8.2
149.09618	3.2
152.10872	1.4
155.10706	5.7
157.10124	9.2
163.11206	4.0
171.11690	1.7
173.11734	16.9
175.11214	10.1
181.12282	2.2
189.11232	4.1
191.10722	2.5
193.12259	29.8
209.11758	2.0
211.13304	42.3
227.12686	6.5
229.14378	13.6
235.13432	2.3
249.14857	1.8
253.14566	1.5
267.15942	5.2
277.14462	1.5
283.15552	2.1
285.17093	2.0
299.14920	7.3
301.14377	3.3
319.15512	2.2
337.16510	4.8
355.17551	11.5
393.19373	1.9
411.20230	5.8
421.25842	5.5
439.26993	12.6
455.26346	1.8
505.27783	2.1
529.28369	2.4
547.28546	3.1
565.29974	5.4
583.31134	78.7
584.31543	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	583.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.8
55.01872	4.2
55.05513	23.7
55.42825	1.5
57.03431	9.1
59.04988	3.8
65.03938	4.1
67.05506	100.0
69.03429	18.5
69.07066	9.1
70.62211	4.1
71.01367	1.7
71.04993	8.1
79.05494	23.4
81.03421	77.8
81.07058	30.4
83.04993	16.5
83.08626	17.6
85.02907	16.4
85.06550	4.9
86.09693	1.5
90.13145	1.4
91.05488	25.6
93.07043	16.4
95.04979	20.9
95.08609	12.2
97.02896	15.7
97.06561	5.3
97.10157	7.4
99.04475	4.9
105.07040	14.8
107.04964	6.5
107.08604	10.4
109.02891	17.3
109.06532	4.1
109.10163	56.7
111.04453	11.9
111.08067	8.0
115.05377	1.3
117.07040	2.7
119.08583	17.2
121.06516	2.6
121.10130	7.1
123.04478	2.7
123.08100	2.6
125.09660	6.2
127.03915	10.3
129.05495	2.6
129.07024	6.6
131.08563	7.4
133.06480	2.1
133.10146	6.0
133.56844	1.5
135.08061	2.3
135.11705	3.6
137.09657	4.5
143.08646	1.5
143.68506	1.4
145.10159	3.6
147.08131	1.6
147.11682	9.1
149.05978	1.9
149.09653	4.2
153.12781	1.9
155.10696	6.1
157.10164	6.5
163.11246	4.3
165.12796	3.9
173.11786	15.4
175.11218	7.1
179.10614	1.7
181.12305	3.9
189.11188	2.8
191.10626	2.2
193.12244	29.8
193.15800	1.9
211.13290	50.3
227.12721	7.5
229.14357	11.5
235.13277	2.3
267.15970	6.4
273.14948	2.3
285.17081	1.8
299.15015	5.4
301.14386	3.9
319.15515	2.2
332.97882	1.4
337.16516	3.9
355.17502	12.9
393.19113	2.7
411.20126	3.8
421.25955	5.0
439.26990	14.9
505.28122	4.1
547.28687	2.0
565.30078	5.1
583.31097	75.1
584.31055	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	583.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52254	1.3
53.03946	5.7
55.01867	3.4
55.05516	27.0
57.03434	8.5
57.07073	2.7
59.05004	2.6
65.03933	6.7
65.37932	1.7
67.05509	97.0
69.03121	2.2
69.03432	17.6
69.07083	8.7
70.07703	3.4
70.08112	4.5
71.01336	3.0
71.04995	8.9
73.06593	1.4
78.02290	1.3
79.05076	2.0
79.05503	21.0
81.03424	100.0
81.07059	33.7
83.04982	21.1
83.08626	20.8
85.02917	19.5
85.06551	3.8
91.05494	32.4
93.07055	20.2
95.04976	25.7
95.08607	13.2
97.02897	14.2
97.06535	5.6
97.10181	12.4
98.20818	1.9
99.04465	5.0
103.05463	2.0
105.07043	18.7
107.04960	5.3
107.08597	11.8
109.02896	16.3
109.06518	4.5
109.10167	56.6
111.04458	17.4
111.08063	7.3
117.07037	4.9
117.25789	1.6
119.08588	21.2
121.06525	3.2
121.10141	8.5
123.04445	4.1
123.11724	3.5
125.09637	9.9
127.03928	11.1
129.05501	2.9
129.06969	8.2
131.08568	12.5
133.06570	2.5
133.10141	7.7
135.08046	3.6
135.11707	2.0
137.09644	3.9
145.06459	2.0
145.10107	3.4
147.08073	3.0
147.11696	13.1
149.05988	1.8
149.09648	4.7
153.12790	1.7
155.10658	6.0
157.10149	12.0
159.11743	1.6
161.09572	1.7
163.11200	4.3
165.12796	5.0
166.68401	1.4
171.10182	2.2
173.04556	1.9
173.11749	15.8
175.11195	8.5
189.11279	8.5
191.10675	1.9
193.12248	31.9
211.13312	48.4
227.12708	9.0
229.14250	13.6
235.13313	2.2
257.14008	2.2
267.15948	6.8
269.63596	1.8
285.17001	2.8
299.14899	12.6
301.14340	2.8
309.17007	3.0
319.15326	1.6
331.17682	1.6
337.16403	3.9
355.17642	10.8
373.18839	4.1
383.81790	1.7
393.19061	2.7
411.20395	3.0
421.25787	5.3
439.26868	14.7
463.26694	2.1
505.28055	4.5
547.29224	2.3
565.30054	6.5
583.31134	88.7
584.30939	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	583.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.3
51.64949	1.1
53.03957	7.1
55.01881	3.3
55.05266	2.2
55.05517	27.3
57.03448	7.6
59.05016	4.2
65.03944	3.9
67.05509	100.0
69.03439	18.9
69.07067	8.7
71.05000	9.4
71.52039	2.1
73.02917	1.9
79.05499	23.3
81.03424	90.1
81.07066	31.7
83.04996	18.5
83.08625	19.5
85.02911	19.4
85.06567	3.3
86.09731	2.6
91.05489	29.6
91.06023	2.4
93.07053	16.2
95.04977	21.1
95.08610	12.7
97.02904	15.6
97.06551	5.2
97.10170	8.7
99.04473	5.0
99.08105	1.4
103.05460	1.4
104.10735	1.7
105.04539	1.4
105.07027	17.1
107.04965	7.6
107.08601	12.3
109.02882	15.1
109.06528	5.0
109.10165	58.4
111.04444	13.8
111.08089	9.2
111.63993	1.2
113.05992	1.8
113.56306	1.3
115.05502	1.7
117.07040	3.1
119.08592	19.0
121.02930	3.0
121.06533	2.2
121.10150	5.7
123.04474	3.2
123.08069	3.1
123.11735	1.6
125.05987	1.4
125.09635	7.1
127.03920	11.3
129.05527	2.0
129.06998	6.7
131.04945	1.6
131.08585	10.1
133.06516	2.0
133.10139	6.8
135.08104	2.6
135.11732	3.3
137.06020	4.0
137.09645	2.9
139.03880	1.3
139.11259	1.5
143.08582	1.8
145.06516	1.5
145.10156	3.1
146.07152	1.4
147.04454	1.7
147.11687	11.5
149.06012	1.7
149.09697	3.7
149.13257	1.5
151.03929	1.2
153.01871	1.6
153.12762	2.6
154.50908	1.2
155.10652	6.0
157.06474	1.5
157.10133	10.0
161.05963	2.0
161.09650	1.7
163.11249	3.4
165.12758	2.7
167.07086	2.7
173.09593	1.5
173.11758	16.5
175.11176	9.2
181.10251	1.3
181.12206	1.9
184.07394	4.4
189.11263	4.1
189.12791	1.4
191.10756	4.7
193.12259	29.4
193.13887	2.1
211.13309	36.8
227.12733	6.8
229.14258	10.1
235.13330	2.9
249.14896	1.7
263.45193	1.3
265.14450	1.2
267.15833	7.5
273.14963	1.3
277.14581	1.7
283.15613	1.4
285.17087	2.7
299.15161	6.6
301.07034	1.2
301.14459	4.5
303.16132	1.5
309.17136	1.7
318.85074	1.2
319.15518	1.9
331.17551	1.4
337.16464	2.9
340.15607	1.1
355.17496	10.4
373.18637	1.4
411.20413	3.3
421.26141	4.3
439.26822	11.6
505.27667	2.3
507.61676	1.5
529.27380	1.6
565.30347	5.6
583.31189	77.6
584.31122	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	2.1
51.57529	1.8
53.03940	6.9
55.05520	14.1
57.07075	7.9
59.04987	3.5
65.03944	4.5
67.05509	24.3
69.03426	6.8
69.07088	16.9
79.05503	24.6
81.07068	26.0
82.52750	1.7
83.04990	6.7
83.08614	9.7
85.06547	5.9
87.04446	1.8
91.04977	3.0
91.05495	39.9
93.07050	52.0
95.04964	7.5
95.08063	2.7
95.08614	30.4
97.06538	7.5
103.05476	3.1
105.04529	2.2
105.07040	64.3
107.05024	1.8
107.08602	43.2
109.06527	8.9
109.10148	19.2
111.08056	2.3
111.11816	1.8
115.05460	4.1
115.29539	1.8
116.06241	2.2
117.07034	16.2
119.06038	2.3
119.08589	69.8
121.06512	2.9
121.10152	48.3
123.08067	13.1
123.11697	4.9
125.09627	3.0
125.71854	2.1
128.06235	7.8
129.07010	13.1
130.07802	6.2
131.08588	31.2
133.10144	34.8
135.08040	6.1
135.11731	16.8
137.09631	8.1
139.11217	4.1
141.07045	7.9
141.14555	1.8
142.07797	22.4
143.08571	33.4
144.09380	4.9
145.06494	2.8
145.10133	47.0
147.08084	10.6
147.11731	9.6
149.09598	9.3
149.13326	4.8
151.07562	12.9
153.07069	2.9
154.07747	3.3
155.08592	17.1
155.10617	2.5
156.09373	14.2
157.10143	50.5
158.10934	7.5
159.08076	5.2
159.11697	27.5
161.09647	6.0
161.13228	5.4
163.11214	7.1
165.07028	7.2
165.09126	15.9
166.07796	3.4
167.08571	8.5
167.10689	30.6
168.09340	7.0
169.10127	23.8
170.10954	7.0
171.11711	27.2
173.09654	3.7
173.13264	21.9
175.11240	4.7
175.14867	11.9
177.12741	2.6
179.08591	8.8
180.09364	5.8
181.10141	13.7
181.12195	4.1
182.11000	4.5
183.11702	21.4
184.12448	3.9
185.09714	2.5
185.13271	13.5
187.11159	2.6
187.14824	7.3
189.12767	4.5
191.08421	2.1
191.14314	7.8
192.09337	3.9
193.10107	11.7
194.10893	11.6
195.11716	20.4
196.12476	4.6
197.13300	16.7
198.13834	2.3
199.14890	12.7
201.12721	2.5
203.08682	2.3
203.14265	9.2
205.10161	4.5
206.10992	7.3
207.11729	16.4
207.13853	6.2
208.12431	6.6
209.10007	1.8
209.13300	22.1
211.11177	2.3
211.14861	11.2
213.16370	4.1
215.14357	4.2
217.10191	2.3
217.15897	10.1
218.11012	2.6
219.11734	4.7
220.12515	5.3
221.13269	14.4
221.15442	30.4
222.14029	4.5
223.14847	14.0
224.15627	3.4
225.16428	6.2
227.14345	2.3
231.11646	4.8
231.17627	3.3
232.12508	4.8
233.13548	9.6
233.15459	9.7
234.14078	5.2
235.14792	10.6
236.15808	2.1
237.16370	6.5
239.18018	4.5
241.16060	2.1
244.12634	2.2
245.13350	4.3
246.14180	2.8
247.14854	7.8
247.17068	2.2
248.15491	2.7
248.86230	2.0
249.16449	8.5
250.17284	2.5
251.18103	3.4
253.19702	2.2
257.18964	4.7
259.14932	5.9
260.15656	3.4
261.16486	7.7
262.17142	4.3
263.17944	5.3
265.19449	4.1
269.19046	4.4
271.14700	2.3
271.20547	3.2
273.16299	5.2
275.18030	8.9
276.18723	2.0
277.19476	4.0
281.19107	4.0
283.20581	9.7
287.17828	4.0
289.19434	3.5
292.89609	2.1
295.20819	4.6
299.20392	4.2
329.22726	2.8
331.24191	3.4
347.23792	2.6
349.25305	5.6
361.25412	3.6
375.26779	5.1
403.30264	2.6
449.65994	2.1
491.35501	2.7
503.35669	2.7
509.34317	2.8
547.39154	3.8
565.40570	21.6
583.41479	100.0
584.41583	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	582.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.8
55.01848	7.1
55.05505	45.9
57.03424	15.2
57.07073	14.1
59.14297	6.9
64.94376	6.7
67.05510	88.7
67.97591	6.3
69.03406	7.6
69.07080	37.6
71.04996	7.2
71.51405	7.5
79.05505	48.2
81.03420	54.8
81.07066	100.0
83.04993	13.2
83.08640	43.0
85.02911	21.0
85.06534	9.0
91.05489	59.1
93.07043	45.7
95.04980	19.3
95.08614	53.1
97.06554	10.7
97.10181	18.7
105.07029	65.2
107.04939	9.4
107.08594	32.8
109.10143	32.2
110.32826	8.7
112.61001	8.1
115.50928	6.7
117.07032	18.6
119.08584	55.7
120.09093	6.3
121.10155	30.0
123.08070	10.0
123.11749	14.1
124.25875	7.6
129.06973	22.8
129.58171	6.4
131.08585	33.7
133.10136	31.1
135.11755	15.8
136.35254	7.3
138.25972	7.3
140.05014	7.7
143.08534	10.2
145.10117	21.3
147.08054	8.6
147.11703	23.3
149.09633	13.0
157.10121	29.2
159.11676	14.5
161.13280	8.9
169.10167	10.2
171.11703	11.0
173.13307	11.1
175.11209	12.8
181.10068	11.0
183.11737	13.3
193.12260	41.6
194.70383	8.0
195.11685	9.2
211.13240	57.2
221.13330	8.3
223.14877	7.9
267.15692	14.2
285.17017	49.4
286.97412	8.2
337.27420	98.8
342.18918	7.2
529.37872	12.2
547.40045	77.0
582.40137	52.7
583.41364	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	583.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.6
55.01867	6.7
55.05515	34.6
57.03438	8.5
59.04996	3.0
65.03956	4.0
67.05509	88.9
69.03434	22.2
69.07065	9.2
69.47900	19.7
71.04984	9.0
79.05508	24.4
81.03428	100.0
81.07072	34.2
82.30463	3.2
83.04984	25.0
83.08627	23.0
84.26753	3.0
85.02921	23.1
85.06548	4.7
91.05492	37.7
92.70407	2.4
93.07069	18.9
95.04983	27.4
95.08609	12.7
95.38261	2.3
97.02914	20.4
97.06556	5.3
97.10167	13.0
99.04469	7.0
105.07034	17.5
107.04970	9.5
107.08615	13.5
109.02890	14.8
109.06527	4.6
109.10168	58.0
111.04444	17.0
111.08112	13.1
117.07005	3.6
119.04961	3.7
119.08598	18.3
121.10154	8.5
123.04511	2.9
123.08054	3.1
125.09632	12.8
127.03934	13.7
129.05440	4.4
129.07033	8.1
131.08591	9.4
133.06497	4.2
133.10161	8.9
137.09598	4.3
145.10149	3.1
147.04456	3.0
147.11731	13.0
155.10664	10.6
157.10159	7.5
173.11771	17.5
175.11224	11.7
181.12332	2.8
189.11224	5.7
191.10617	2.9
193.12271	35.0
211.13303	49.6
227.12868	8.6
229.14377	12.9
235.13240	3.6
267.15878	9.0
272.82401	2.3
277.14471	2.7
280.14636	3.9
281.13736	3.4
285.16983	3.7
299.14868	8.8
301.14383	5.2
304.11801	6.0
322.99249	2.6
335.29037	2.5
337.16626	3.2
355.17444	12.4
359.48389	2.8
374.39218	3.1
402.18100	3.3
403.24496	2.4
421.25781	7.0
439.26959	12.0
485.93744	2.6
547.28729	4.6
565.29791	7.5
583.23901	15.8
583.32391	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.70683	0.8
57.03421	0.9
59.04992	2.5
61.02916	3.9
67.65017	0.8
68.99744	0.9
69.03421	3.8
69.07041	1.0
69.64673	2.0
69.65073	5.1
71.04976	1.0
79.05492	1.7
80.59949	0.9
81.03420	2.4
81.07037	1.4
83.04988	2.8
85.02896	3.3
91.03951	2.0
91.05482	3.8
93.07048	13.1
95.04947	1.3
95.08604	1.6
97.02892	2.3
98.20827	1.0
99.04444	1.4
105.07035	1.2
107.05014	1.5
107.08614	13.5
109.10155	1.1
117.82473	0.8
119.08637	1.4
121.02908	5.1
121.03688	0.9
127.03923	2.0
135.11703	45.0
137.02415	0.9
153.01851	6.9
153.12793	1.8
165.01868	2.7
165.89117	0.8
189.07545	1.3
241.05064	1.2
258.05139	1.0
287.05524	100.0
299.05545	16.7
327.08636	14.3
341.10147	1.9
365.10229	5.8
421.16443	20.7
484.86365	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03948	2.9
53.57987	0.2
55.05497	0.7
57.03427	0.6
67.05511	2.8
68.99802	0.3
69.03426	0.8
69.07071	0.6
70.06591	0.5
70.09887	1.2
71.04990	0.6
77.03951	0.8
79.05495	3.2
81.03434	2.4
81.07085	1.3
82.38019	0.3
83.04995	0.7
83.08630	0.7
84.08135	0.5
85.02909	1.3
86.09691	0.7
88.22128	0.2
91.05479	1.1
92.02605	1.5
93.07053	1.0
95.04982	3.1
95.08600	1.0
97.02901	0.7
97.06551	0.3
104.10728	0.3
105.03363	0.8
105.04523	1.4
105.07018	0.7
107.04963	1.2
107.08610	0.8
109.02882	1.0
109.06487	0.3
109.10139	1.5
111.00816	0.5
111.04439	0.4
111.08117	0.3
117.07045	0.2
119.08598	1.1
120.02063	0.4
121.02866	2.4
121.06453	0.3
121.10151	0.7
122.93675	0.3
123.04441	0.3
124.99981	0.4
125.09633	0.4
127.03928	0.9
129.07002	0.5
131.08595	0.5
133.02866	0.4
133.06575	0.3
133.10121	0.7
135.04422	100.0
136.04765	1.1
137.02388	0.4
137.05995	0.4
137.09608	0.3
145.06493	0.4
145.10123	0.4
147.04482	0.4
147.11732	0.4
153.01833	3.1
153.05467	2.3
157.06554	0.3
157.10181	0.3
161.09671	0.3
163.11232	0.4
165.01872	0.9
167.07144	0.4
169.10129	0.3
173.11769	0.3
183.02968	0.4
184.07396	1.4
185.06024	0.3
193.12238	0.5
197.13371	0.3
211.13348	1.1
213.05450	0.7
227.12784	0.3
231.06609	0.6
233.49577	0.3
241.04999	0.5
258.05157	1.5
286.04758	1.9
287.05518	42.9
288.05783	0.7
297.09772	1.3
299.05289	0.3
301.07074	5.8
329.06564	0.6
551.21979	1.1
583.32007	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.9
55.05516	30.7
57.03437	15.1
57.07078	6.7
64.64650	2.8
65.03947	5.8
67.05177	5.3
67.05510	66.4
69.03429	6.3
69.07074	27.4
70.69666	8.0
71.04994	4.5
78.05371	2.4
79.05140	2.7
79.05509	37.5
80.77235	2.6
81.03421	68.4
81.07062	67.9
81.17332	2.7
83.04987	18.7
83.08634	27.5
85.02908	20.5
85.06534	3.1
87.04494	4.0
91.05482	42.9
93.07047	44.6
95.04980	34.8
95.08610	48.4
97.06542	6.2
97.10172	8.4
105.07034	42.8
107.04945	6.4
107.08610	25.5
109.06516	6.2
109.10174	22.8
109.15302	3.0
111.08098	9.6
115.05424	3.4
117.07011	7.2
119.08604	37.3
121.06545	3.4
121.10166	22.4
123.08071	6.9
123.11733	5.6
125.09651	4.8
129.07008	11.8
131.08571	22.1
133.10129	24.3
135.08070	3.9
135.11696	7.2
137.09526	3.2
141.07065	4.2
142.07774	5.7
143.08575	11.5
145.10135	17.7
147.08075	4.8
147.11719	24.8
149.09624	6.6
155.08551	4.7
156.09486	3.0
157.10143	19.8
159.11705	6.5
165.06906	3.3
165.09212	4.8
165.12747	5.8
169.10190	3.4
171.11713	5.7
173.13280	3.7
175.11220	19.1
179.08566	5.2
181.10112	6.3
183.11652	2.9
185.13254	4.9
189.12813	3.3
193.12245	48.6
195.11726	7.5
204.51785	3.4
207.11650	8.1
209.13260	5.1
211.13289	76.9
211.15247	3.7
221.15312	5.6
223.14740	5.7
263.23730	5.6
267.15872	14.2
273.18591	8.3
275.18115	3.9
285.16974	67.8
287.20248	3.4
299.19580	3.7
337.27390	75.9
352.23877	9.1
372.13239	3.5
461.23773	3.6
487.30991	3.5
529.39014	8.3
547.39941	100.0
582.40594	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.8
53.76565	3.4
55.01867	3.6
55.05511	45.4
57.03443	22.4
57.07080	7.7
65.03953	4.3
67.05508	91.6
67.59743	3.2
69.03442	4.7
69.07073	33.8
69.15059	17.1
69.15484	19.3
71.04975	5.2
71.81348	3.2
74.33469	3.4
79.05495	50.7
81.02983	5.8
81.03423	64.3
81.07061	97.9
83.05001	21.2
83.08620	40.6
85.02906	26.3
85.06561	6.0
91.05479	58.6
93.07056	43.4
95.04984	36.8
95.08611	58.0
97.06537	5.9
97.10187	15.9
98.20738	7.9
105.07033	43.8
107.04954	7.6
107.08588	21.7
109.06527	7.4
109.10179	23.8
111.08105	15.7
113.06058	4.8
115.70580	3.3
117.07023	11.6
119.08593	42.8
121.10147	29.2
121.19145	3.6
123.08087	7.1
123.11715	7.0
125.09575	3.2
129.07001	13.6
131.08549	22.6
133.06435	4.2
133.10146	30.3
135.11697	4.6
137.09601	5.2
142.07762	4.1
143.08516	7.2
145.10106	16.2
147.08067	6.8
147.11722	20.5
149.09674	5.8
157.10114	22.3
159.08014	4.8
159.11633	4.8
161.13336	4.7
169.10182	5.4
171.11742	5.5
173.13260	10.0
175.11234	22.1
175.14795	5.1
177.85861	3.0
189.83720	3.6
193.10457	5.3
193.12248	61.4
195.11600	4.9
197.13333	3.8
209.13222	3.9
211.13275	88.5
219.57698	3.6
221.15340	4.7
223.14874	3.2
263.23749	5.5
267.15906	22.9
285.14053	6.8
285.16980	88.3
291.20853	3.8
337.27402	100.0
529.38727	13.3
547.39990	68.5
582.40771	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	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43940	2.6
51.44896	2.8
53.03940	3.6
55.01868	3.6
55.05514	25.7
57.03440	14.6
57.03676	2.4
57.07075	6.7
65.03934	3.0
65.52621	2.8
67.05509	64.9
69.07067	26.2
69.80986	15.4
71.04983	7.2
77.53713	2.5
79.05502	46.4
80.71927	3.1
81.07063	71.8
82.07392	4.5
83.04980	6.4
83.08631	18.1
90.49931	3.2
91.05486	28.9
93.07053	51.1
94.02382	2.7
95.04993	8.1
95.08607	67.0
96.08898	2.8
97.02892	4.6
97.06535	6.9
97.10165	7.9
99.04449	6.4
105.07037	21.9
107.04948	8.3
107.08612	37.0
109.06514	3.0
109.10158	20.7
109.46759	2.8
111.08074	3.4
117.07011	7.7
119.08566	16.1
121.06499	5.2
121.10162	16.9
123.08109	3.7
123.11742	4.4
124.00247	2.7
129.06955	4.1
131.08577	4.9
133.10132	11.4
133.63228	2.8
135.11710	53.0
145.10136	34.7
147.11647	4.3
163.11185	61.5
181.12262	9.3
227.12802	100.0
283.15414	77.3
285.17001	6.7
335.25854	10.3
337.27411	97.8
338.27957	3.3
454.76282	2.9
503.79688	2.8
530.39130	8.9
545.30634	4.9
545.38470	79.1
548.40076	5.1
555.93536	3.1
562.42340	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	580.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80370	1.6
53.03934	3.1
55.01858	5.4
55.05516	23.6
57.03229	1.4
57.03445	14.6
57.07066	5.3
58.46693	1.7
65.03941	4.0
67.05508	64.5
68.05826	2.6
69.07072	27.4
70.44112	1.6
71.04987	5.6
79.05499	29.2
81.03417	4.9
81.07060	60.4
81.51467	1.8
82.07400	3.4
82.82720	2.2
83.04964	5.2
83.08611	19.0
85.06525	5.3
91.05492	23.8
92.05795	2.5
93.06483	3.3
93.07049	43.0
94.07375	2.6
95.04969	8.4
95.08614	53.4
96.08948	2.1
97.02877	3.1
97.06535	5.0
97.10166	8.1
99.04437	2.2
105.07043	18.8
106.07409	1.8
107.04964	6.3
107.08607	28.0
108.78471	1.9
109.06510	2.8
109.10159	13.9
113.06033	1.8
117.07029	8.6
119.08604	15.4
120.08890	2.1
121.06488	4.6
121.10161	17.1
123.08116	2.0
123.11724	4.3
125.09586	2.7
129.06981	2.2
131.08582	6.9
133.10094	7.0
135.08131	1.7
135.11710	29.0
142.74438	1.7
143.08588	1.7
145.10124	17.5
147.11699	4.8
157.10127	2.1
161.13255	3.3
163.11185	29.8
163.14842	2.5
181.12267	5.8
187.14891	2.0
227.12811	56.4
250.14478	1.8
283.15399	34.7
285.17026	6.5
290.22171	2.1
319.04333	2.0
324.17950	2.5
334.41055	1.8
335.25806	10.8
337.27399	100.0
338.27734	3.6
351.94818	1.8
438.34460	3.0
439.05530	2.1
530.39294	14.0
545.38409	53.7
548.40094	7.2
551.41528	1.8
562.41589	2.1
580.39709	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	581.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.6
53.03955	8.7
55.01877	10.0
55.05267	2.5
55.05516	33.4
57.03448	8.3
57.64434	1.7
59.04996	6.2
65.03934	5.0
67.05509	95.0
69.03437	22.5
69.07067	8.3
69.85325	8.3
70.14944	1.7
70.54941	1.6
71.05007	11.3
79.05496	32.1
79.64162	1.7
81.03424	90.6
81.06593	2.4
81.07063	40.3
83.01336	5.2
83.04984	21.5
83.08618	17.7
84.35759	1.6
85.02909	12.8
85.06539	4.5
91.05494	25.0
93.07047	33.5
95.04969	9.9
95.08615	14.2
97.02900	15.9
97.06552	7.2
97.10186	10.3
99.04466	7.4
103.05460	2.5
105.07030	16.5
107.04955	9.8
107.08607	16.7
109.02885	21.1
109.06536	7.3
109.10165	50.6
111.04469	16.3
111.08088	6.1
117.07026	8.1
119.08588	16.7
121.06507	3.5
121.10161	10.4
123.04435	3.3
123.08061	5.9
123.11662	2.1
125.09650	12.2
127.03921	17.0
129.06961	3.0
131.08583	5.4
133.10118	6.6
135.08061	4.7
135.11703	12.4
137.09683	3.8
143.08531	3.1
145.10135	13.0
147.11684	3.4
149.05930	2.3
149.09616	2.5
153.12750	7.3
155.10657	7.2
157.10193	3.4
161.09651	1.8
163.11201	23.1
173.04523	2.0
173.09604	3.3
173.11777	15.2
181.12230	7.1
189.11249	8.2
191.10649	4.1
193.12343	2.3
195.13873	2.6
209.11638	10.0
227.12747	16.4
229.14377	1.9
243.81847	1.7
281.13846	1.9
283.15433	4.2
299.14987	11.3
307.54117	1.9
325.16238	1.8
353.15921	6.0
355.17548	7.0
437.25064	9.6
474.75955	1.8
581.29517	100.0
582.30200	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	582.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.4
55.05502	10.2
57.07073	5.7
65.03921	3.6
67.05515	16.2
69.03436	4.8
69.07064	12.2
69.20567	2.2
71.04979	3.1
79.05494	21.8
81.07060	26.5
83.04984	3.7
83.08609	3.4
85.06536	6.1
91.05485	35.1
93.07050	37.3
95.04979	49.0
95.08624	18.4
103.05452	4.5
105.07037	63.6
107.08592	41.7
109.06519	11.4
109.10137	13.2
115.05448	8.1
117.07008	18.0
118.47526	2.5
119.08587	59.7
121.06506	5.4
121.10155	34.6
122.07271	3.0
123.08073	14.3
123.11701	4.5
125.09585	2.4
128.06235	16.5
129.07019	20.4
130.07782	10.0
131.08551	38.2
132.09346	3.8
133.06503	3.9
133.10146	30.2
135.08052	15.8
135.11665	9.9
136.23683	2.4
137.66980	2.2
140.18629	2.3
141.06972	10.3
142.07773	18.1
143.08565	63.6
144.09346	8.5
145.06532	6.5
145.10127	51.6
146.07283	2.6
147.08046	8.6
147.11688	15.6
149.09628	9.0
149.13332	2.9
151.11240	3.7
153.06993	8.2
154.07759	3.0
155.08540	17.2
156.09332	14.7
157.10139	56.8
158.07216	3.1
158.10905	11.6
159.08054	9.3
159.11691	19.0
161.09598	18.1
163.11104	3.3
165.06990	8.8
166.07841	3.1
167.08569	12.6
167.10670	8.3
168.09315	10.4
169.10164	32.9
170.10927	3.9
171.08070	3.4
171.11690	32.4
172.08717	3.0
172.12405	3.1
173.09639	16.0
173.13228	17.8
175.11212	4.5
175.14819	3.9
179.05144	2.5
179.07028	2.3
179.08525	13.3
180.07845	2.4
180.09326	10.0
181.10165	21.1
182.10849	12.8
183.08058	3.1
183.11681	32.8
184.12451	2.7
185.09641	10.6
185.13199	15.0
186.10359	3.2
187.11159	9.3
187.14853	3.7
188.11980	3.5
189.09094	4.8
189.12808	13.3
191.10672	3.0
191.14302	9.2
192.09337	6.7
193.10117	21.2
194.10922	10.0
195.11725	24.2
196.12434	8.3
197.09631	6.6
197.13205	24.6
198.13988	5.6
199.11165	13.7
199.14815	10.2
201.12817	8.2
203.14305	4.1
205.10185	4.4
205.55251	2.7
206.10904	4.4
207.11633	19.6
208.12477	9.1
209.09645	4.3
209.13246	26.8
210.10434	2.5
210.14043	7.4
211.11179	13.1
211.14853	10.0
212.11916	5.3
213.12744	9.7
213.16341	6.9
214.13531	2.8
215.14326	9.7
217.10066	7.6
217.15816	4.1
219.11655	8.4
220.12614	3.9
221.13239	18.0
223.11186	6.1
223.14723	12.6
225.12683	12.7
225.16425	7.3
227.14368	13.6
229.10138	3.1
229.12309	2.9
230.10855	4.5
231.11777	7.8
232.12448	4.0
233.13258	9.9
233.15282	4.8
234.13928	3.6
235.11163	3.3
235.14888	13.4
237.12729	4.5
237.16422	6.6
238.17111	2.6
239.14348	8.7
241.15898	3.9
243.11665	4.0
244.29108	2.9
245.13242	8.9
246.14006	4.3
247.14856	13.4
248.15675	2.7
249.12766	2.8
249.16383	5.8
249.59724	3.0
251.14395	4.4
251.98628	2.8
253.15878	10.6
255.17375	3.8
258.14069	6.7
259.14734	6.5
260.15680	4.8
261.12601	3.7
261.16306	4.4
263.14389	5.3
263.18030	3.8
265.15918	3.6
267.17331	3.1
271.17206	4.4
273.15961	5.0
273.18549	68.6
275.18002	5.1
277.15826	7.1
277.19495	3.8
279.17529	3.5
281.19101	3.5
286.19382	6.0
289.15903	9.6
289.19406	2.9
291.17386	7.3
291.20874	5.6
299.20114	27.7
307.20633	3.4
309.21976	2.7
319.20508	6.1
325.21548	4.2
332.21265	3.4
337.21667	30.5
345.22318	3.3
350.97366	2.8
351.22998	4.0
352.23975	100.0
353.24576	4.9
357.22125	4.5
363.23309	6.3
365.24857	12.7
376.24149	2.9
384.52173	3.5
389.24506	2.9
401.28598	5.3
434.28275	5.4
443.29443	6.4
444.30240	40.3
445.30814	7.0
470.85101	2.8
472.33716	3.6
490.34274	14.9
582.40631	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	580.421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10130	3.6
53.03949	7.4
55.05524	26.4
57.03441	15.0
57.07070	4.4
65.03952	6.4
67.05511	76.4
69.07084	26.7
69.84980	15.7
69.85388	7.9
71.05013	6.6
79.05507	52.0
81.03041	4.8
81.03431	41.6
81.07062	72.2
83.04982	12.1
83.08645	19.7
85.02911	14.5
85.06540	5.0
91.05487	36.4
93.07050	51.8
95.04958	21.6
95.08620	46.2
97.10172	5.7
105.07047	39.9
106.98486	4.1
107.04952	6.4
107.08623	27.3
109.06504	5.2
109.10174	16.6
111.08099	11.1
117.07019	8.9
119.08595	27.0
121.10152	26.2
123.08070	6.3
123.11729	5.8
123.17029	4.2
129.06996	9.3
131.08543	19.0
133.10143	15.1
135.11702	13.8
145.10190	8.4
147.08099	5.0
147.11710	21.6
149.13280	10.7
157.10155	13.4
159.11685	5.8
161.13289	4.6
175.11215	8.0
179.14380	4.5
193.12248	35.1
211.13277	56.9
261.22159	10.6
267.15903	14.0
269.17621	9.3
277.21619	5.1
285.17004	45.6
335.25821	100.0
527.36841	8.2
545.38403	75.7
580.40424	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	580.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	9.1
55.01861	13.1
55.05510	28.2
57.03444	21.4
59.05017	3.2
61.01566	3.4
61.02907	8.5
66.63611	2.9
67.05507	100.0
69.03428	7.7
69.07075	55.1
70.07633	5.2
70.08040	10.2
71.04970	4.9
73.02921	6.0
79.05497	52.0
81.03419	27.3
81.07056	79.3
83.04980	10.2
83.08602	13.6
85.02895	11.3
85.06552	4.7
90.34779	2.8
91.03950	3.7
91.05486	49.8
93.07045	43.4
95.04978	14.8
95.08620	39.3
97.02884	9.1
97.06536	25.7
97.10168	8.6
99.08054	3.1
103.03889	3.1
103.05467	3.3
105.07036	39.4
106.00876	2.8
107.04968	14.1
107.08597	25.4
109.02860	2.9
109.06504	8.7
109.10163	41.9
111.04433	3.7
111.08076	6.1
113.45805	2.9
114.76984	2.8
117.06974	17.2
119.08583	30.5
121.06514	8.8
121.10147	11.4
123.08029	7.5
123.11687	6.5
125.09611	4.4
127.03859	3.5
129.06996	5.9
131.08598	20.7
133.10175	26.2
135.08012	5.6
135.11681	13.4
137.09602	10.1
139.42615	3.0
141.06912	4.0
143.08537	7.6
145.10133	21.5
147.11668	10.2
149.09647	17.7
151.11185	4.1
155.08597	6.3
155.10661	6.7
157.10095	4.9
158.71671	3.0
159.11665	14.0
161.09583	4.9
161.13231	7.9
163.11209	15.0
171.10178	9.1
171.11595	4.2
173.11713	10.8
173.13235	7.1
175.11205	3.9
177.12782	7.6
187.11267	3.8
187.13274	6.0
193.12231	4.7
227.12790	5.3
229.14302	24.0
239.18120	4.8
243.15959	10.3
247.20586	3.8
253.17957	6.7
255.15771	5.1
257.19101	5.6
267.15903	7.6
269.17282	2.9
273.18387	3.5
275.20056	33.7
293.21152	5.0
311.22418	3.4
349.19797	5.5
349.23761	80.2
367.24689	9.2
418.27747	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	580.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.05505	4.9
57.03441	9.6
62.67236	1.0
69.03452	7.2
69.42496	8.0
71.01352	1.9
71.05000	76.6
73.02921	6.6
75.04491	7.3
81.03415	1.7
83.04491	1.7
83.04987	31.8
85.02911	100.0
87.04469	2.5
91.03552	1.1
91.05487	7.5
95.04947	4.6
97.02862	3.5
99.04485	6.2
101.06039	1.5
103.39187	1.1
105.07034	1.5
109.02837	2.7
111.04448	20.7
111.09482	1.1
113.06003	3.3
117.05506	3.0
121.02871	3.0
123.04415	1.4
127.03895	4.4
129.05487	45.3
133.06458	1.1
141.05475	1.1
145.04964	1.7
147.06538	22.4
153.05487	8.5
163.06073	5.7
164.09163	2.8
165.09042	1.5
171.06615	1.5
194.05363	1.2
201.07565	4.1
205.33749	1.3
213.07573	2.7
221.08044	1.3
223.13281	2.9
237.07620	1.6
239.09122	14.2
255.08649	2.0
257.10214	6.8
273.09552	3.0
275.11261	9.4
283.55859	1.2
293.12363	7.9
309.11929	2.9
367.18814	1.3
417.11658	1.6
418.12274	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	579.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01868	4.9
55.05269	2.7
55.05514	41.6
57.03444	15.3
57.07071	10.9
59.05009	1.7
65.03930	4.2
67.05506	95.8
69.03429	3.9
69.07070	36.0
71.04998	14.3
71.08615	5.0
71.52072	1.7
71.52440	2.4
79.05020	1.8
79.05496	65.4
81.03426	21.0
81.07060	100.0
83.04983	8.8
83.08614	29.5
85.06550	10.9
85.10186	2.2
91.04913	1.9
91.05484	51.4
93.07048	67.4
95.04961	15.5
95.08001	3.5
95.08612	73.3
97.06525	12.7
97.10175	22.6
99.08120	3.3
105.07040	45.6
107.04951	6.9
107.08603	42.1
109.06506	4.9
109.10155	32.7
109.10847	3.3
111.08099	7.5
111.11699	2.0
113.09638	2.2
117.07024	15.2
119.07799	3.1
119.08585	34.9
121.06545	3.5
121.10149	26.7
123.08065	5.5
123.11740	9.6
125.09649	12.8
128.06197	2.7
129.06998	11.8
131.08580	21.7
133.10147	21.8
135.08061	4.4
135.11703	15.7
137.09625	2.5
137.13258	3.9
137.20863	1.8
139.11205	4.1
141.29663	1.9
142.07805	2.9
143.08572	7.2
145.10147	19.1
147.08072	3.2
147.11722	21.3
149.04329	1.9
149.09604	4.6
149.13286	9.1
151.11206	3.0
153.09203	2.2
155.08514	2.9
155.10799	1.9
157.10153	11.2
158.45012	1.8
159.11696	10.0
161.09669	2.2
161.13260	7.7
163.11186	5.4
163.14801	3.9
165.12773	3.8
169.10155	4.4
171.11720	6.0
173.09647	2.0
173.11882	3.5
173.13261	4.8
175.11107	3.3
175.14801	6.4
177.12732	2.1
183.11604	3.8
185.13289	4.7
187.14816	7.3
189.11232	10.5
189.12694	2.1
189.16389	4.7
191.14305	3.4
193.12268	9.3
197.13301	3.0
199.13255	4.4
199.14882	3.1
201.16327	4.5
211.13188	3.6
227.12744	15.3
229.14302	3.9
239.16241	3.6
241.14381	2.1
241.17882	2.7
243.21132	2.2
245.22810	2.1
249.10963	5.6
249.14902	3.0
261.22125	4.2
263.23593	2.5
267.15887	19.5
281.22659	1.9
287.23590	3.2
289.21808	3.6
289.25299	3.4
291.23276	6.2
299.23575	3.0
301.25192	2.6
303.26761	9.6
305.13797	2.6
305.24701	5.0
315.23114	1.9
333.02267	2.0
335.25998	3.9
337.27441	17.8
343.22769	2.0
347.25778	2.1
361.27612	2.2
363.29016	1.9
365.26880	7.9
419.33096	2.2
435.27264	3.9
437.34155	16.7
455.35187	16.3
467.37625	2.6
473.36313	11.2
489.35992	5.2
503.37164	3.1
511.37790	8.1
521.38403	3.0
529.38928	74.1
543.36725	2.8
547.39972	43.4
561.36914	25.4
579.38287	45.2
579.52814	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3896
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03942	6.4
55.01867	10.1
55.05273	3.0
55.05517	29.1
56.05818	2.4
57.03439	12.2
57.07075	4.2
65.03940	3.3
67.05510	100.0
69.07072	21.4
69.21587	24.4
71.04991	6.7
71.09005	2.1
79.05072	4.3
79.05496	56.3
81.03419	11.0
81.07063	77.4
83.04987	13.2
83.08622	14.8
85.02895	5.5
85.06553	3.4
91.05480	44.3
93.07048	59.1
94.48280	2.3
95.04967	10.6
95.08613	49.6
97.06527	14.7
97.10186	12.4
98.21475	3.6
99.08095	3.3
105.04527	3.3
105.07040	29.6
107.04949	12.3
107.08598	38.8
109.06537	5.9
109.10167	34.6
111.04449	6.4
111.08068	7.2
112.55669	2.5
117.07015	15.2
119.08593	28.9
121.06513	5.4
121.10149	40.4
123.08091	3.3
123.11710	6.6
125.09628	8.1
129.07027	8.5
130.12025	2.3
131.08568	23.4
133.10138	22.1
135.08072	5.8
135.11679	19.6
137.09616	2.8
137.13318	3.6
139.11186	6.6
142.07762	2.8
143.08565	4.3
145.10103	25.3
147.11720	16.7
149.09592	9.5
149.13232	7.8
151.11194	3.3
153.12782	4.5
155.08537	4.4
155.10547	2.7
157.10153	6.7
159.08015	2.7
159.11679	11.2
161.13278	7.0
163.11217	15.7
165.12819	3.2
169.10114	3.7
171.11691	5.2
173.09657	8.4
173.11778	5.5
173.13274	7.9
175.11328	3.1
181.10083	2.3
181.12245	9.0
183.11821	2.5
185.13310	3.8
187.14850	5.5
189.11154	2.9
191.10687	8.6
193.12233	5.4
195.11690	3.4
209.11748	7.7
211.13147	3.1
227.12776	10.5
229.14330	9.0
245.13731	5.7
259.20438	2.8
261.22183	13.7
265.14404	7.1
267.16162	2.4
275.20297	3.2
277.21732	5.8
279.23196	4.9
283.15442	13.9
289.21631	3.7
296.94626	2.3
301.16504	13.6
303.23209	4.2
317.24850	3.9
333.24222	3.7
335.25818	13.5
351.24905	2.9
407.28024	3.2
433.30920	2.3
451.31674	4.9
469.32919	3.4
487.34097	6.4
515.37177	3.2
525.35718	4.2
543.36755	18.7
561.37762	21.4
579.38965	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	579.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.0
56.81920	1.7
57.03421	3.6
57.07077	26.8
58.07382	2.9
59.04999	2.8
64.19189	1.8
67.05508	70.4
68.05851	2.0
69.07070	13.8
70.07395	1.9
71.08634	20.1
71.51841	2.7
79.05498	6.1
81.03400	2.4
81.07056	24.8
82.07410	2.8
83.08621	17.1
85.06539	3.4
85.10183	12.3
86.90257	2.0
91.05481	6.0
93.07043	6.2
95.08612	25.6
96.08910	2.8
97.10170	4.8
101.27089	2.2
107.08568	2.5
109.10162	48.6
113.00031	8.9
117.30515	2.2
119.08595	4.3
121.10155	2.4
123.11630	3.8
147.48758	1.8
150.51291	1.7
155.10643	2.0
169.02654	8.7
173.11755	9.7
229.14433	3.1
239.23817	4.2
313.27240	3.6
407.25403	2.0
467.37363	100.0
491.47787	2.4
517.97052	2.2
578.51984	8.4
579.43597	3.6
579.52454	15.2
592.33032	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	579.1715
Annotation	Kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
52.65121	0.9
53.03960	1.0
55.05499	1.3
57.03431	3.6
70.06567	1.4
71.05000	21.0
71.51476	0.9
73.02969	0.9
75.04490	1.6
79.05507	1.0
83.04992	5.5
85.02918	25.2
99.04406	1.0
109.45100	0.9
111.04437	2.5
112.88135	0.8
121.02863	1.3
129.05493	7.5
141.06929	1.0
153.01807	4.8
165.01843	1.2
167.07059	3.5
183.02983	1.3
213.05475	1.1
242.54102	0.9
258.05319	1.5
276.94205	1.1
280.46399	0.9
287.05518	100.0
329.06561	1.4
397.09241	1.6
399.01563	1.0
402.11182	0.9
417.11935	1.9
433.11545	2.1
461.93286	1.0
467.75687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2605
Annotation	Phellophyll a
Peak:m/z	Relative Intensity
50.81438	0.3
54.63165	0.3
55.05499	0.7
57.07070	1.4
67.05508	1.8
69.07045	0.7
71.08612	0.7
71.16863	0.6
81.07047	1.4
83.08656	0.4
95.08601	1.3
96.08982	0.4
97.10180	0.5
107.08639	0.4
109.10159	1.8
123.67580	0.4
156.04971	0.4
169.02725	0.4
197.94377	0.3
207.09302	0.5
209.10698	0.7
239.46193	0.3
245.10745	0.4
249.13982	0.4
253.09779	0.4
275.15350	0.6
350.16312	0.4
363.16150	0.9
364.17038	1.1
365.17526	0.4
366.19608	0.5
375.16071	0.7
376.17053	0.9
377.17825	1.7
378.18774	1.1
379.19171	2.6
389.17844	1.4
390.18497	1.4
391.14993	0.8
391.19214	1.6
392.16217	1.4
392.20255	1.0
393.20828	3.5
402.19174	0.5
403.19324	1.6
404.19864	1.4
405.16830	1.4
405.21387	3.2
406.17453	2.4
407.17801	2.5
407.23480	2.0
408.23373	0.7
415.19400	0.7
417.21051	0.7
419.18466	1.2
419.22562	1.4
420.15314	0.7
420.19388	0.9
420.23538	0.8
421.20074	10.7
422.21017	0.7
430.18216	0.5
431.18533	1.2
432.19009	0.5
433.16083	3.6
433.23898	1.6
434.16330	2.2
435.17328	7.4
435.22748	1.7
436.22610	15.0
437.23251	1.3
445.20352	1.3
447.17175	1.3
447.22845	3.5
448.18481	3.3
449.19147	11.1
450.24451	2.3
452.22162	1.3
457.24347	0.5
460.22604	1.3
461.19733	1.2
462.20508	1.6
463.21149	13.0
464.21924	2.7
465.22549	0.7
467.37491	1.9
473.23462	1.0
474.24118	1.3
475.20944	14.5
476.22235	1.3
477.22943	6.8
487.20895	0.5
491.24466	4.6
492.21494	16.8
493.22220	0.9
494.23080	1.0
501.22919	1.0
503.24603	2.5
505.25696	0.8
506.26953	0.5
507.20520	0.7
507.27393	2.0
508.24713	1.1
519.23651	3.4
522.22766	0.7
523.27100	13.6
533.25232	1.8
535.27148	3.6
536.24292	0.8
547.23181	1.7
551.26520	27.2
552.26855	0.9
561.24707	1.4
564.23090	0.4
578.52167	1.1
579.25977	100.0
580.26428	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	579.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35306	1.6
53.03947	6.0
55.01871	8.4
55.05516	22.1
57.03438	8.2
57.07071	4.2
59.05012	2.8
62.68713	2.2
65.03949	3.9
67.05507	95.3
68.05826	2.2
69.03419	8.3
69.07069	19.3
70.56484	3.7
70.56813	3.6
71.04988	6.8
71.08636	4.4
73.02918	2.9
79.05495	53.4
81.03427	13.7
81.07058	100.0
82.07381	1.7
83.04984	6.2
83.08623	14.2
85.02905	5.6
85.06544	5.4
91.05479	41.2
93.07044	62.8
95.04969	11.9
95.08610	62.2
97.02868	2.7
97.06533	7.1
97.10171	8.9
98.98450	5.7
99.04469	4.8
99.08097	3.5
103.05517	2.3
105.07030	31.2
107.04959	5.5
107.08598	42.6
109.02861	9.6
109.06561	3.8
109.10159	47.6
110.03656	3.9
111.04465	5.5
111.08100	4.2
117.07037	15.3
119.08583	21.2
121.06491	4.1
121.10149	34.2
123.08093	4.5
123.11709	24.2
125.09646	5.4
127.03914	5.6
129.07034	5.1
131.08578	24.7
133.10136	26.2
135.08069	3.7
135.11685	29.5
137.09689	4.3
137.13286	9.7
139.11220	2.9
143.08574	6.3
145.10156	20.8
147.11674	14.2
149.02353	7.9
149.09631	5.0
149.13281	17.2
150.02711	2.8
151.02812	2.4
151.11154	4.7
151.14861	3.9
155.01004	3.7
157.10129	5.4
159.08130	2.1
159.11673	18.0
161.09660	2.1
161.13313	8.8
163.11185	4.0
163.14827	11.5
169.10153	3.2
171.11702	5.0
173.13225	14.2
175.14767	3.7
177.12689	3.3
177.16414	5.1
179.14371	3.1
183.11754	2.4
187.14853	7.7
190.99991	2.5
193.04988	6.3
193.12360	3.9
194.05235	3.2
195.13753	2.4
199.14883	2.6
205.15842	2.2
207.11597	1.8
223.11362	1.9
227.12790	2.8
233.22731	3.7
243.21042	26.6
244.93414	2.1
253.14375	7.2
257.19061	2.7
259.20490	3.0
261.22159	97.3
271.15491	2.4
273.18616	2.2
273.22031	2.1
275.20184	3.2
277.21725	4.6
279.23279	5.5
291.19495	6.2
303.23337	2.2
335.25754	17.4
337.27411	3.3
353.26895	71.2
369.24417	2.2
377.26614	2.2
469.32858	2.9
487.33188	1.9
543.36627	6.8
561.27527	5.0
561.37488	7.0
578.52209	2.8
579.13910	6.4
579.31122	3.2
579.38788	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	579.1502
Annotation	PROCYANIDINB2
Peak:m/z	Relative Intensity
51.02378	1.3
53.03936	1.1
53.64540	0.7
54.82128	0.7
55.01870	2.3
65.03934	0.8
67.05504	1.6
68.99782	5.8
70.09962	3.7
79.05455	0.9
80.64783	0.8
81.03407	2.9
83.05009	1.0
85.02908	1.0
89.03927	1.4
91.05506	0.9
93.03425	1.5
95.04967	1.5
95.52334	0.8
97.02917	0.9
99.04435	1.2
101.08161	0.7
105.03369	1.0
107.04960	3.5
109.02885	4.3
111.00800	3.1
111.04441	3.2
117.03384	0.9
119.04932	2.0
119.82182	0.8
121.02885	3.0
123.04436	60.9
127.03924	100.0
128.04280	0.7
129.06990	1.1
131.04884	2.0
135.04424	30.7
137.02422	4.4
137.06013	0.9
139.03908	61.0
141.06987	1.4
143.04935	1.0
145.06494	0.9
147.04424	10.1
149.02379	5.5
149.05925	2.2
151.03920	13.6
153.01851	2.0
153.07007	1.1
155.04979	1.0
159.04387	2.8
161.05969	2.8
163.03925	36.6
165.05496	7.7
167.03400	9.7
169.06505	1.3
173.05969	3.1
175.03943	4.3
177.05440	4.9
179.03395	4.4
181.04924	1.1
181.06453	1.4
183.04361	1.1
185.05963	1.1
187.03900	7.0
189.05455	3.5
191.03409	13.1
193.04970	5.0
197.05949	3.0
201.05484	8.9
202.06314	0.9
203.03412	10.8
203.07019	1.9
205.04973	3.5
207.06442	1.7
213.05441	2.7
215.03419	1.8
215.07043	3.3
217.04988	3.0
225.05316	1.8
229.04950	10.7
231.06613	2.7
233.04454	7.8
241.04878	2.4
243.06563	3.3
245.04486	10.0
247.06050	22.7
247.08487	1.6
251.05600	1.3
253.04980	1.6
255.06551	2.4
257.04471	13.6
259.06076	10.9
261.76666	0.8
269.04523	4.3
271.06018	20.0
273.07669	1.5
275.02606	1.7
275.05508	22.3
283.06079	8.7
285.07556	1.4
287.05515	29.7
289.07126	11.5
291.08667	12.9
299.05481	4.7
301.07086	18.1
303.08624	3.5
315.08664	1.1
331.15424	1.0
359.09061	1.0
391.07809	1.1
409.03717	1.5
409.09213	31.0
411.10779	2.4
421.09177	1.5
427.10278	6.9
435.10583	2.2
439.10376	1.6
505.87167	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.4
55.01858	4.2
55.05515	43.4
57.03436	10.1
57.07072	18.4
65.03944	5.8
67.05508	84.6
69.03465	3.5
69.07071	33.9
69.67796	2.6
69.82380	15.2
71.04993	14.0
71.08627	12.9
79.05493	52.9
81.03423	22.0
81.07056	100.0
83.04982	6.9
83.08625	26.1
85.06548	9.2
85.10188	7.4
85.47504	2.7
91.05474	41.0
93.07047	51.5
95.04981	14.7
95.08606	65.4
97.06528	12.8
97.10178	25.3
99.08058	2.9
105.07038	38.0
105.50274	2.8
107.04969	5.3
107.08606	40.7
109.06521	5.4
109.10153	31.2
111.08096	7.6
117.07012	14.7
119.08582	33.3
121.10158	31.8
123.08074	5.8
123.11702	11.5
125.09661	9.5
128.06183	3.7
129.07010	12.5
131.08565	29.9
133.10138	20.1
135.08012	2.8
135.11673	20.7
137.09689	3.5
137.13266	4.1
141.13274	2.7
142.07788	4.8
143.08586	9.9
143.98326	2.8
145.10101	25.2
147.08096	2.6
147.11699	17.5
149.09692	4.7
149.13284	8.8
155.08562	8.5
157.10138	12.9
159.11707	16.7
161.13260	6.2
163.11192	3.9
163.14937	4.1
169.10150	9.0
169.35460	3.3
171.11647	13.5
173.11806	3.3
173.13283	9.4
175.11156	3.6
175.14833	7.1
183.11716	3.4
185.13332	7.9
187.14796	3.0
189.11203	8.4
189.12816	4.2
193.12233	8.7
197.13313	3.4
227.12767	11.0
239.16438	5.0
239.23694	4.4
243.21243	3.4
243.82841	2.9
261.22107	6.8
265.25446	4.5
267.15878	18.6
271.20258	3.5
285.10349	3.0
287.23633	4.9
289.21707	6.4
299.23642	6.8
301.25342	8.4
315.45779	3.2
335.25934	14.4
361.24167	3.3
363.25287	3.8
417.31430	4.1
435.32639	13.1
453.33755	16.3
471.34766	6.0
509.36267	5.3
527.37305	42.2
545.38300	32.1
559.40082	8.4
577.27380	10.4
577.41150	12.0
577.51709	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.8
55.01871	6.3
55.05516	42.7
57.03434	12.0
57.07072	9.3
65.03938	4.1
67.05511	98.7
69.03429	4.1
69.07077	24.7
69.99161	11.7
71.04984	14.2
74.32513	3.3
79.05504	64.1
81.03436	23.7
81.07061	100.0
83.04994	8.7
83.08624	22.5
85.06544	9.2
91.05482	70.4
93.07047	70.0
95.04967	13.2
95.08614	72.6
97.06524	9.8
97.10172	16.3
98.21465	6.9
105.07039	59.6
107.04963	6.4
107.08600	42.1
109.06547	3.6
109.10151	33.7
111.04427	4.3
111.08058	9.6
115.05436	3.8
117.07017	18.1
119.08593	57.5
121.06487	5.2
121.10137	34.8
123.08034	5.2
123.11716	13.7
125.09638	11.7
128.06264	4.2
129.06995	13.9
131.08580	38.0
133.10143	35.9
135.08089	4.5
135.11722	18.6
136.39644	3.5
137.13261	6.1
142.07857	3.8
143.08542	16.5
145.10138	29.4
147.11693	30.1
149.09610	7.0
149.13254	11.4
151.11118	4.2
155.08524	6.0
157.10144	17.3
159.11703	19.7
161.13263	17.5
163.11226	7.6
163.14795	5.0
165.12796	4.7
166.65332	3.4
169.10121	9.1
171.11697	10.5
173.13284	15.4
175.11023	3.5
175.14874	5.4
183.11755	5.7
185.13243	8.4
187.14839	9.7
189.11252	7.2
193.12221	8.3
195.13771	3.8
197.13234	5.8
199.14874	7.6
207.11783	4.2
209.13161	3.5
211.14897	6.2
227.12787	14.7
239.16313	6.9
261.22137	10.5
267.16006	28.8
285.22180	4.5
287.23615	4.7
301.25287	11.1
303.23178	4.7
321.25034	3.6
335.25839	21.0
363.25226	9.2
417.31558	4.0
435.32626	15.2
437.92252	3.8
453.33514	14.2
471.34613	12.4
509.35999	5.8
527.37384	67.0
545.38538	42.9
559.39478	11.8
577.40387	12.2
577.51678	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	579.1503
Annotation	Procyanidin B7
Peak:m/z	Relative Intensity
53.03942	1.2
55.01867	1.4
55.97426	0.6
65.03934	0.8
67.01861	0.7
67.05479	0.8
68.99792	4.3
70.09914	2.7
72.02296	0.5
75.91084	0.5
77.03919	1.0
81.03430	3.4
85.02897	0.9
93.03429	0.8
94.35917	0.6
95.04982	1.9
98.20805	0.8
99.04474	1.2
103.05465	0.6
104.14371	0.5
107.04957	4.1
109.02919	3.4
111.00822	2.1
111.04450	1.9
115.05432	0.9
117.03384	1.3
119.04951	2.2
121.02872	2.2
123.04437	41.5
127.03925	100.0
131.04944	2.4
133.14731	0.6
135.04430	29.0
137.02354	3.2
139.03911	47.5
141.07056	0.8
143.04927	1.1
145.06482	0.9
147.04411	6.2
149.02344	3.7
149.06020	2.3
151.03914	9.2
153.01898	1.5
157.06546	0.8
159.04366	3.4
161.05925	4.2
163.03915	34.0
165.05501	5.4
167.03424	8.6
169.06459	2.4
173.06046	3.2
175.03893	4.5
175.07503	0.6
177.05533	3.3
179.03410	3.2
181.06418	0.9
185.06073	0.8
187.03806	5.7
187.07558	1.1
189.05492	1.6
191.03392	11.6
193.04944	3.4
197.05934	4.0
201.05519	6.2
203.03389	7.1
203.07034	1.7
205.05008	2.9
207.06512	1.1
213.05534	2.3
215.03430	1.5
215.06956	3.0
217.04968	1.4
225.05566	1.1
227.06958	0.9
228.18994	0.7
229.04990	7.3
231.06540	0.9
233.04539	5.1
241.04950	1.3
243.06609	4.5
245.04442	6.6
247.06052	16.7
251.05588	1.7
253.05067	1.4
255.06625	1.5
257.04456	9.2
259.06036	7.7
269.04639	3.1
271.06021	19.1
273.07654	1.0
275.05511	17.3
283.05954	6.7
287.05515	16.7
289.07095	11.2
291.08615	10.2
299.05685	3.6
299.08588	0.7
301.07098	12.3
303.08627	1.9
357.94092	1.1
391.08319	0.9
409.09241	21.2
411.10757	3.1
417.12207	0.7
421.09192	1.0
427.10260	4.9
433.29086	0.6
435.10696	0.8
439.10147	1.0
492.87732	0.6
516.21082	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.15
Annotation	Kaempferol 3-(6''-(Z)-cinnamylglucoside)
Peak:m/z	Relative Intensity
51.02374	0.6
51.51196	0.5
53.03940	1.6
53.50640	0.4
55.01867	0.6
59.90903	0.4
67.05500	1.8
69.03442	1.2
71.36260	0.9
79.05517	0.9
81.03423	2.9
81.07045	1.6
85.02914	1.3
91.05482	1.4
93.07042	1.4
95.04964	2.2
95.08599	0.8
97.02887	1.2
97.06535	0.5
103.05473	35.3
105.04536	0.5
105.07011	0.6
107.08580	0.9
109.02886	1.2
109.10182	0.8
111.00826	0.6
117.06957	0.5
119.08624	1.1
121.02866	1.3
121.10157	0.5
127.03888	1.1
131.04933	100.0
132.05237	0.5
133.02893	0.5
135.04349	0.5
137.02307	0.8
147.04436	1.1
149.06009	2.2
149.09604	0.7
153.01842	3.7
161.09569	0.7
163.03966	0.5
165.01900	1.4
183.02898	0.8
191.03398	1.7
193.12251	0.7
205.15891	4.1
207.02910	3.5
213.05434	0.8
233.04564	1.1
247.16937	1.1
251.05582	1.0
258.05350	0.6
259.06165	0.5
269.06650	0.9
275.09186	1.8
287.05505	76.2
293.10205	3.6
298.86987	0.5
329.06564	0.7
368.86389	0.5
409.22168	1.1
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
53.03938	3.2
55.01880	2.7
55.05514	17.2
56.88283	1.8
57.03430	8.0
57.03682	1.6
57.07070	4.0
60.77253	1.8
67.05511	44.3
69.07072	16.7
69.93835	2.4
69.94235	5.1
71.04995	3.9
79.05072	2.9
79.05500	37.6
81.07060	39.3
82.96397	1.7
83.04968	3.9
83.08604	10.5
91.05470	15.1
92.05800	1.9
92.96922	1.8
93.07051	54.5
95.04975	8.3
95.08617	56.5
97.02943	2.1
97.06540	3.4
99.04472	3.4
105.07047	13.6
107.04967	7.1
107.08591	33.6
109.10188	12.8
117.07012	11.6
119.08582	13.4
121.06511	5.6
121.10153	19.8
123.11694	2.7
125.06015	3.3
131.08574	6.0
133.10126	7.7
135.11697	45.2
145.10130	23.9
147.11734	3.2
149.13318	2.7
159.11731	2.6
161.13220	2.3
163.11186	54.6
173.13252	3.3
181.12270	9.5
227.12804	100.0
261.22177	6.3
283.15411	67.0
335.25824	90.0
336.26300	3.0
440.02551	1.9
453.44485	2.3
510.63889	2.0
543.36865	52.3
578.51990	7.4
595.64587	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	577.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	12.8
67.05473	12.4
69.07097	15.5
71.51537	13.2
84.89658	11.8
96.35410	11.8
166.72758	12.7
202.20296	12.3
247.88239	12.2
254.71492	12.0
277.93341	11.3
405.20792	16.7
431.18738	75.3
432.19644	23.3
433.19522	15.4
519.23840	18.8
577.25562	74.1
577.51373	29.8
578.25110	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	576.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	20.3
57.03434	15.6
57.07079	34.9
65.72491	5.8
65.85119	5.2
67.05513	28.1
68.91453	4.3
69.07067	20.5
70.91270	4.9
70.91602	12.3
71.08636	25.1
79.05490	12.3
81.03421	70.8
81.07059	29.6
83.04968	5.3
83.08624	32.3
85.10180	16.2
91.05487	8.6
93.07085	12.1
95.04962	17.5
95.08622	25.1
97.06640	4.2
97.10183	10.9
105.07045	10.1
105.10985	5.0
105.75883	5.0
109.10179	16.7
111.08056	5.7
119.08596	8.4
121.10175	8.6
133.06569	9.2
135.11705	4.5
137.33563	5.0
148.34605	5.0
149.09703	5.7
175.11137	10.8
193.12303	21.2
194.48439	5.2
223.99287	4.9
254.36971	4.6
267.15909	97.7
309.74783	5.6
313.27396	100.0
505.38855	84.5
576.50629	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	577.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.2
55.01875	23.9
55.05515	49.3
57.03443	18.3
57.07075	3.8
59.27765	2.4
65.03933	4.4
67.05511	82.0
69.03418	6.3
69.07078	34.2
70.91647	3.2
71.05000	13.4
77.03890	2.6
79.05498	80.2
81.03426	56.3
81.07063	100.0
83.04987	21.5
83.08620	38.0
85.02921	16.4
85.06539	4.9
91.05487	87.8
93.07056	65.1
95.04974	36.8
95.08609	51.1
97.02888	2.6
97.06538	34.7
97.10173	17.0
99.08093	3.8
105.07037	73.7
107.04961	24.8
107.08596	41.4
109.06527	16.1
109.10160	27.7
111.04434	3.7
111.08092	12.9
113.06025	2.7
115.05450	4.8
117.07034	20.8
119.08594	55.7
121.06506	7.9
121.10150	28.0
123.08067	10.4
123.11710	7.0
125.09616	15.5
127.07598	3.0
128.06181	2.7
129.07027	17.2
131.08562	34.2
133.06529	4.1
133.10153	43.5
135.08063	12.0
135.11723	11.9
137.09586	8.8
141.06955	4.0
142.07816	4.3
143.08597	9.9
145.10136	31.1
147.08044	5.5
147.11703	33.8
149.09618	33.9
149.13252	7.4
151.11140	6.4
155.08601	5.9
157.10129	20.6
159.07977	3.8
159.11685	16.5
161.09644	4.3
161.13275	7.0
163.11188	16.5
165.09111	2.4
165.12740	8.9
167.08429	2.8
169.10165	2.9
171.11731	7.6
173.09676	4.5
173.13275	8.6
175.11171	19.0
177.12790	6.4
183.11665	6.8
184.40622	2.5
185.13245	4.8
187.11150	2.7
189.11241	6.7
193.12274	49.2
197.13292	4.2
211.11331	4.5
211.13306	54.3
215.17854	3.2
227.12756	15.4
229.19484	5.7
239.17964	4.3
247.20590	5.8
257.18997	11.6
267.15933	21.6
273.18469	3.2
275.20068	91.5
277.21490	2.8
283.15289	3.4
283.20837	2.4
285.16949	34.1
291.19473	5.4
293.21182	12.1
301.21710	2.1
349.19714	4.2
349.23764	35.9
367.24838	3.4
449.30386	4.8
463.30695	2.8
467.31534	5.2
479.30045	5.8
485.32666	3.0
495.43155	2.4
538.52289	2.5
541.35468	15.8
551.44293	2.6
559.36292	31.9
577.37671	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	577.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
55.01868	6.3
55.05513	45.6
57.03424	14.0
57.07058	4.7
59.04995	4.7
62.37283	3.0
65.03942	4.6
67.05510	100.0
69.03424	4.0
69.07070	28.7
69.27660	16.9
69.28082	12.1
71.05003	24.0
79.05068	5.4
79.05494	73.9
81.03426	24.2
81.06598	4.8
81.07063	97.2
83.05002	7.0
83.08608	25.6
83.18344	3.1
85.06525	11.3
91.05480	59.6
93.07047	67.1
95.04964	14.4
95.08054	5.5
95.08615	63.7
97.06504	9.2
97.10195	19.7
105.06403	4.7
105.07036	57.5
107.04954	8.5
107.08595	45.8
109.06546	7.9
109.10168	36.7
111.08073	9.3
117.07025	27.6
119.08594	39.7
121.10139	39.9
123.08023	9.4
123.11685	12.9
125.09625	18.1
128.06210	3.2
129.07031	19.5
131.08571	41.8
133.10117	27.6
135.11693	19.3
137.09557	4.0
137.13246	5.3
139.11159	3.4
141.06937	5.9
143.08527	17.1
145.10138	32.8
146.99426	3.7
147.11674	24.8
149.09662	7.2
149.13245	9.3
155.08527	7.1
157.10086	19.1
159.11705	22.7
161.13300	16.9
167.10739	3.7
169.10123	10.6
171.11671	14.4
173.11870	3.9
173.13211	15.8
175.11197	6.2
175.14774	7.5
182.79269	3.5
183.11743	8.4
185.13283	12.0
187.14841	9.0
189.11224	9.2
189.16426	4.2
193.12218	10.6
195.11697	3.3
197.13368	5.6
199.13133	4.7
199.14799	10.0
227.12769	13.9
239.16341	4.4
259.20624	5.0
261.22192	10.0
267.15875	23.6
285.22113	5.4
287.20203	5.5
287.23453	5.5
289.21902	5.3
289.26614	3.9
301.25293	10.4
303.23288	4.5
335.25711	14.3
363.25082	8.3
413.41443	3.5
417.31415	4.4
435.32443	19.1
453.33664	13.4
471.34460	13.4
509.36301	5.8
527.37341	72.8
545.38324	62.1
559.39471	6.8
577.40265	12.3
588.63635	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	575.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.3
55.01875	14.4
55.05267	3.0
55.05516	44.6
57.03445	15.9
57.07078	4.4
57.70250	2.1
65.03933	6.5
67.05511	100.0
69.03442	7.1
69.07070	28.3
71.04992	13.9
79.05502	87.9
79.29519	2.1
81.02984	3.5
81.03426	36.2
81.07064	89.2
83.01326	2.5
83.04987	19.6
83.08630	28.2
85.02927	10.3
85.06518	5.5
91.05490	79.4
93.07053	70.6
95.04981	29.6
95.08612	55.5
97.02915	3.1
97.06554	12.2
97.10160	15.2
99.08096	5.7
105.07040	69.9
107.04961	16.4
107.08604	39.5
109.06551	16.5
109.10168	26.8
111.04424	5.3
111.08096	11.8
113.05978	2.9
115.05445	5.1
117.07032	26.4
119.08594	48.4
121.06516	10.3
121.10160	24.3
123.04458	2.4
123.08068	9.1
123.11726	4.1
125.09621	18.1
128.06221	6.1
129.07031	19.9
131.08586	38.0
133.06525	11.1
133.10141	44.3
135.08090	14.9
135.11711	12.4
137.09610	5.5
141.06979	7.5
142.07776	5.9
143.08574	19.6
145.06482	3.9
145.10139	27.7
147.08043	9.8
147.11726	18.2
149.09639	15.7
149.13284	3.2
151.11185	13.7
153.09129	2.7
153.12764	3.0
155.08582	9.6
155.10709	2.3
157.10126	22.4
159.08046	3.7
159.11703	18.6
161.09659	10.6
161.13255	5.8
163.11224	9.9
165.09126	2.3
165.12807	3.2
167.08598	3.7
169.10161	9.7
171.11688	14.5
173.09628	8.1
173.13319	10.6
175.11272	11.3
175.14908	3.2
177.12865	2.9
179.10733	2.4
179.14380	2.4
181.10167	6.0
183.11696	10.2
185.09666	3.3
185.13254	9.0
187.11223	3.0
187.14836	5.0
189.11227	6.7
189.12753	5.2
193.12263	21.2
195.11681	7.4
195.13492	2.1
197.13297	6.1
199.11188	2.9
199.14915	4.8
201.12877	2.9
207.11632	2.7
209.13358	3.6
211.13242	23.4
213.16319	3.7
219.13731	2.9
221.13277	2.9
225.16418	2.9
227.12833	11.7
227.17950	2.4
228.13261	3.0
233.15497	2.6
242.21942	2.0
245.19136	4.5
253.14459	7.0
255.17453	2.1
257.19162	2.4
266.77386	2.7
267.15909	14.5
273.18552	23.7
275.20035	6.2
283.15521	2.5
283.20340	3.3
285.17142	3.7
285.22003	2.7
287.20212	3.6
291.19562	31.8
293.21112	2.5
299.23676	6.6
305.21332	2.6
313.21594	3.4
325.21689	2.5
331.22540	4.3
347.22253	7.3
349.24213	2.6
365.23535	8.2
421.25699	5.8
423.32422	2.5
433.30936	9.5
451.32007	8.0
469.33295	5.2
501.31909	3.1
507.34894	5.0
517.35321	13.3
525.35785	29.0
543.36798	29.4
543.44586	3.6
557.34540	13.9
575.36145	40.4
575.49817	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	577.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.9
53.93179	3.1
55.01851	5.2
55.05270	3.5
55.05514	42.0
57.03428	12.6
57.07069	9.8
65.03934	4.1
67.05509	88.4
69.07072	31.6
69.80286	15.5
71.04982	11.8
71.08612	6.3
79.05499	60.7
81.03423	22.7
81.07059	100.0
81.71130	2.9
83.04976	8.7
83.08624	26.3
85.06530	7.2
91.05489	61.0
93.07057	65.2
95.04964	14.3
95.08073	4.4
95.08614	63.6
97.06522	9.8
97.10171	21.1
98.20777	4.6
99.08126	3.0
105.06389	4.7
105.07037	54.1
107.04927	4.3
107.08598	36.3
109.06548	3.1
109.10159	29.5
111.08070	5.9
117.07001	12.9
119.07945	2.9
119.08602	34.3
121.06474	6.1
121.10152	30.6
123.08080	5.7
123.11726	9.6
125.09620	13.8
128.06226	4.2
129.07005	10.2
131.08569	31.3
133.06482	3.2
133.10120	29.4
135.11691	15.9
137.13229	5.1
139.11131	3.2
141.07036	5.4
143.08533	12.1
144.42958	3.3
145.10124	28.2
147.08047	3.1
147.11696	21.8
149.09633	5.5
149.13252	9.4
151.11096	3.8
152.48824	3.4
155.08540	7.4
157.10155	13.9
159.11705	15.5
161.13200	10.1
163.11189	5.3
163.14879	5.4
169.10101	6.2
171.11652	12.6
173.13258	10.9
175.11220	6.3
175.14795	6.7
180.27907	3.8
181.10004	4.4
183.11707	5.8
185.13274	9.9
187.11098	3.3
187.14783	6.6
189.11176	10.6
193.12213	8.9
195.11528	3.4
195.13924	3.3
197.13307	4.1
199.14807	5.4
209.11229	3.1
209.13275	4.3
227.12801	9.1
230.81001	2.6
239.16417	3.3
259.20538	7.3
261.22040	7.2
267.15933	20.8
285.22198	4.6
287.23770	6.4
289.21753	4.3
299.23642	4.7
301.25259	10.8
303.23245	5.6
335.25903	19.4
359.25745	3.6
361.27313	3.7
363.25250	7.2
397.34506	3.7
434.39807	3.3
435.32529	11.8
453.33704	13.9
471.34558	9.6
501.35690	4.3
527.37390	49.1
545.38373	36.4
559.39819	10.3
577.25342	10.2
577.42285	6.8
577.51538	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	575.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07321	2.4
53.03947	10.3
55.01870	12.0
55.05516	52.8
57.03442	12.3
57.03667	2.2
57.07070	10.7
59.04992	3.2
65.03944	4.3
66.56583	1.9
67.05508	100.0
69.03442	4.9
69.07075	41.7
69.36870	18.0
71.04990	17.2
71.08632	7.8
71.89661	2.2
77.03917	2.4
79.05497	68.3
81.03438	15.3
81.07066	86.4
83.04995	16.4
83.08620	22.2
85.02909	4.0
85.06545	9.5
91.04908	3.9
91.05486	70.7
91.67731	2.3
93.07052	74.9
93.07640	4.0
95.04975	14.4
95.08608	71.8
97.02898	5.3
97.06548	22.3
97.10176	25.5
99.08099	10.8
105.04509	2.3
105.07033	59.4
107.04979	14.5
107.08602	41.6
109.06525	10.4
109.10172	28.9
111.04456	5.5
111.08088	5.8
111.11724	2.5
113.09645	2.9
115.05454	4.1
116.06235	2.5
117.07027	28.6
119.08584	43.3
121.06509	8.9
121.10148	36.0
123.08086	7.7
123.11697	5.2
125.09626	16.8
128.06210	4.8
129.07013	17.6
130.07777	3.7
131.08574	35.0
133.06511	5.5
133.10141	34.7
135.08075	9.5
135.11687	17.9
137.09648	5.4
141.06969	5.8
142.07767	5.2
143.08566	19.9
144.09311	2.4
145.06514	6.6
145.10138	29.8
147.08072	6.6
147.11681	17.3
149.09608	11.9
149.13272	6.6
151.11244	7.0
153.12823	3.0
155.08586	7.7
156.09270	3.0
157.10156	15.7
159.08012	2.8
159.11714	22.8
161.09639	4.1
161.13286	3.5
163.11171	15.7
165.12842	2.7
169.10149	12.3
171.08043	3.7
171.11690	12.9
173.09659	6.4
173.11861	3.9
173.13274	8.9
175.11189	8.6
175.14938	2.8
177.12775	2.8
179.14355	5.6
181.10185	6.1
181.12312	2.9
183.11691	10.4
185.13304	6.1
187.11238	4.7
187.14742	3.8
188.28694	2.4
189.11240	8.5
189.12743	3.0
189.16516	2.9
193.10457	2.4
193.12262	7.4
195.11771	6.2
197.13374	6.4
199.11319	4.0
199.13138	2.5
199.14868	4.4
201.12617	3.2
209.11635	3.8
209.13376	3.5
211.13246	4.2
211.15086	3.2
213.12794	2.4
213.16411	2.5
215.14458	4.9
217.15971	4.3
227.12750	19.0
257.18973	5.4
259.20691	2.5
267.15939	8.3
271.20621	2.7
273.18433	8.3
275.20029	13.8
277.21533	3.6
283.20288	3.1
291.19485	11.6
299.23767	7.7
301.21753	3.1
321.22162	3.2
339.23157	3.1
365.23102	3.7
415.30167	3.5
421.25903	8.0
433.30890	9.6
451.32330	11.4
463.30927	4.4
469.33255	6.1
477.28040	2.6
507.34756	4.1
517.35284	21.1
525.35840	27.5
543.36859	38.4
557.37622	14.6
575.38300	35.9
575.50122	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	575.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.2
55.01873	13.9
55.05267	4.6
55.05514	55.9
57.03428	11.6
57.07069	9.6
59.04991	4.3
61.28494	2.4
65.03928	5.4
67.05508	100.0
69.03438	3.8
69.07069	35.1
70.16114	2.5
70.18122	11.0
71.01376	3.0
71.05000	16.2
79.05501	86.0
80.06246	2.7
81.03416	20.8
81.07064	92.1
83.04983	11.2
83.08623	25.4
85.06572	5.6
89.58089	2.7
91.05491	74.4
93.07050	83.5
95.04982	17.5
95.08611	66.6
96.08946	3.2
97.06541	18.2
97.10181	23.1
99.04455	3.9
99.08097	6.3
100.39631	2.7
103.05482	3.1
103.36504	2.4
105.07035	56.8
107.04961	12.1
107.08599	47.7
109.06516	13.1
109.10165	28.5
111.04454	5.2
111.08076	9.5
115.05469	3.2
117.07024	26.7
119.08585	49.4
121.06519	7.1
121.10143	30.7
123.08060	9.4
123.11737	6.6
125.09624	15.1
129.05484	3.1
129.07024	22.5
130.07820	3.8
131.08574	41.1
133.06467	3.1
133.10144	31.1
135.08046	10.5
135.11710	16.9
137.09628	5.1
139.11195	2.8
141.06958	5.6
142.07785	4.9
143.08559	17.4
145.06500	3.8
145.10130	35.5
147.08076	7.6
147.11703	20.5
149.09613	12.5
151.11124	4.8
153.12793	3.1
155.08578	11.7
157.10159	24.3
159.07983	4.4
159.11697	22.3
161.09612	5.7
161.13272	7.5
163.11183	16.2
167.08617	5.0
169.10098	16.6
171.11682	14.1
173.09602	6.4
173.11839	4.4
173.13290	10.5
175.11182	6.8
175.14864	3.9
177.12769	2.7
181.10168	3.9
181.12277	3.1
183.11723	10.0
185.13268	8.6
187.14793	6.8
189.11229	6.0
189.12802	3.9
191.10703	5.3
193.12279	7.8
195.11775	6.1
195.13760	3.0
197.13341	6.5
197.15367	3.1
199.11342	3.3
199.13153	3.5
199.14813	6.1
201.12837	4.7
207.63976	3.0
209.11618	3.9
209.13350	4.7
211.13243	5.1
211.15044	4.4
223.13144	3.6
227.12747	16.8
239.18080	3.9
241.14308	6.1
257.18985	3.7
259.15311	6.0
259.20691	4.4
267.15869	4.8
273.18567	3.3
275.20050	13.5
277.21725	4.5
285.22003	3.9
289.21625	3.3
291.19516	4.6
299.23737	7.0
317.24762	3.8
325.21759	2.7
333.24374	2.6
349.23483	2.6
363.33698	2.7
421.25900	8.5
433.30893	12.2
451.32047	11.5
463.30630	3.2
469.32956	9.0
480.13065	2.9
487.34564	4.2
499.34061	3.9
517.35321	20.2
525.35785	32.3
543.36798	56.6
557.37878	11.5
575.39923	57.5
575.49677	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	575.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51273	0.8
57.48579	0.9
60.77810	0.9
63.65883	0.9
64.00359	0.8
71.50739	1.4
74.02473	1.2
91.05475	1.5
97.46074	0.9
118.06546	21.1
122.84531	0.9
130.06551	1.8
132.08078	7.3
142.06514	1.4
143.07307	2.7
144.08072	13.7
146.06020	64.4
147.04440	1.2
153.01872	1.8
155.39661	0.8
159.09192	6.5
162.28175	0.8
170.06033	4.7
179.48668	0.8
188.07080	100.0
189.07420	1.2
201.45126	0.9
205.09744	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.3
55.01876	23.0
55.05514	71.9
57.03430	17.1
57.07053	5.2
57.56570	2.8
59.04998	4.0
60.67664	2.3
65.03921	5.7
67.05507	100.0
69.03432	11.7
69.07073	53.0
69.52004	13.2
69.52415	4.4
71.04993	11.5
71.08635	3.3
78.69859	2.5
79.05496	94.5
80.05849	2.5
81.03423	52.1
81.07060	99.2
83.01402	2.8
83.04991	32.1
83.08622	42.3
85.02908	22.0
85.06541	4.5
91.05489	89.6
93.07044	77.1
95.04972	38.8
95.08609	53.0
97.02905	12.0
97.06549	22.7
97.10184	33.4
98.20853	4.0
99.08092	4.3
103.05449	2.9
105.07039	76.1
107.04960	31.9
107.08599	60.2
109.06535	18.5
109.10163	26.6
111.04465	6.6
111.08106	11.8
113.06036	3.6
115.05470	3.9
117.07019	26.8
119.08584	57.0
119.09380	5.5
121.06534	10.5
121.10174	28.1
123.08070	14.8
123.11705	10.4
125.09631	27.8
128.06281	6.9
129.06985	16.6
131.04964	3.0
131.08571	28.0
132.43547	2.9
133.06509	7.7
133.10126	34.7
135.08069	16.7
135.11678	15.0
137.09644	12.2
141.06999	3.9
142.07805	5.4
143.08586	10.0
145.06558	6.9
145.10106	29.8
147.08047	16.6
147.11690	31.8
149.09587	19.6
149.13318	6.0
151.11200	5.3
153.09094	7.9
157.10149	19.1
159.08138	3.6
159.11711	14.3
161.09674	5.2
161.13359	5.5
163.11186	22.1
165.09065	4.3
165.12775	6.3
169.10175	6.8
169.56551	2.7
171.10242	5.2
171.11728	8.8
173.13264	5.9
175.11229	15.8
177.12718	5.6
181.12314	3.5
183.11736	3.5
185.13266	5.3
189.09026	2.7
189.11243	20.0
189.12758	5.5
191.10704	3.4
193.12270	33.4
209.11690	6.9
211.13315	31.2
219.13908	8.8
223.13246	14.4
227.12813	24.0
247.20715	3.2
255.17577	3.5
257.19077	10.8
267.15939	30.5
270.77625	3.0
273.18500	37.9
275.20084	40.2
283.15518	20.0
285.16983	6.0
291.19556	96.1
293.21252	3.8
313.21744	7.4
315.19595	3.8
329.21103	5.2
331.22565	3.4
347.22144	6.9
349.23816	11.9
365.23331	11.6
406.10223	3.0
465.30011	3.9
477.28302	5.9
483.31082	3.6
501.32098	4.0
539.34106	6.2
557.34698	51.7
575.35876	94.9
575.49896	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	573.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	2.6
51.98444	1.6
53.03946	10.5
55.01879	14.9
55.05513	31.1
57.03437	8.6
57.07068	3.5
65.03932	6.5
67.05511	75.4
69.03415	3.3
69.06724	2.6
69.07074	27.3
69.23886	10.0
69.24316	5.9
71.04983	4.9
73.06521	1.9
77.03900	2.0
79.05497	100.0
81.03415	9.9
81.07061	82.9
83.04986	16.2
83.08623	16.3
85.06541	4.2
91.05487	84.2
92.32325	1.4
93.07047	76.0
95.04976	26.6
95.08609	49.4
97.06530	25.0
97.10162	5.8
99.08180	1.8
103.05492	3.0
105.04530	2.3
105.07037	73.4
107.04971	19.3
107.08599	35.6
108.00089	1.7
109.06514	15.1
109.10168	13.6
111.08083	5.4
113.06055	2.2
115.05457	3.5
117.07028	21.3
119.08588	47.9
121.06503	7.4
121.10149	18.9
123.08082	11.1
123.11708	3.6
125.09663	7.7
127.07552	2.0
128.06259	2.9
128.52875	1.6
129.07010	19.1
130.07802	3.1
131.08574	20.9
133.06503	2.1
133.10130	28.9
135.08089	9.5
135.11668	11.4
137.09610	6.3
141.07008	2.3
143.08583	13.6
145.06491	3.1
145.10136	24.2
147.08034	6.0
147.11685	39.8
149.09633	17.7
149.13249	4.7
151.11211	5.2
155.08556	5.1
157.10089	5.0
159.11699	11.0
161.09627	7.9
161.13269	13.9
163.11205	11.3
165.09119	1.6
165.12743	3.3
169.10141	3.8
171.11676	25.7
173.13275	5.0
175.11195	3.6
177.12787	2.5
179.14288	3.8
181.10040	2.1
183.11700	4.3
185.13318	2.9
187.11226	2.6
187.14923	2.2
189.11319	2.3
189.12746	9.1
191.33617	2.0
197.13246	3.9
207.13817	21.2
210.97604	1.4
213.12837	1.5
227.12790	13.1
229.19531	4.4
239.17923	3.9
247.20575	4.5
257.18970	13.2
267.15970	3.6
273.18613	3.9
275.20078	71.5
279.15948	3.4
281.17484	38.7
291.19727	3.9
293.21017	5.2
331.22617	2.4
349.23779	28.1
377.23007	2.0
390.18237	2.6
445.31482	1.6
475.30560	5.2
531.88910	1.7
537.35596	1.8
541.35278	2.4
555.37018	32.6
573.38409	22.1
573.48126	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	574.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.1
55.01877	10.8
55.05510	20.4
55.75971	6.0
57.03433	15.0
57.07085	65.3
67.05511	79.2
69.07069	33.7
69.08344	6.2
70.69694	17.6
71.05013	8.2
71.08640	49.3
72.79064	5.6
79.05508	67.1
81.03425	9.8
81.07069	77.6
82.07379	5.9
83.04984	17.3
83.08643	22.7
85.10194	22.5
87.04483	74.1
91.05481	43.2
93.07049	61.3
95.04974	19.0
95.08620	81.2
97.06538	13.7
97.10183	9.9
105.07041	23.0
107.04980	21.9
107.08624	34.7
109.06413	5.9
109.10167	31.3
111.04461	24.2
111.08123	14.2
117.07076	15.4
117.90521	5.4
118.31530	5.7
119.08628	20.0
121.06477	8.9
121.10155	44.5
123.11727	13.8
125.02393	7.5
131.08606	13.9
133.10127	12.8
135.11731	30.8
138.08090	5.9
145.10138	34.1
147.11729	11.2
153.12761	10.1
155.08643	6.7
163.11160	37.1
173.09650	28.9
177.45424	6.4
181.12254	16.6
191.10742	21.1
196.36633	6.0
205.53101	5.9
209.11702	16.7
227.12827	18.4
244.21484	7.3
262.22525	10.8
265.14368	66.8
267.15637	7.5
272.34235	6.2
283.15408	91.5
301.16464	75.3
313.27344	100.0
314.27856	10.5
317.24841	8.1
318.25116	10.2
336.62018	5.9
394.12836	6.2
521.38464	31.3
539.39618	48.5
574.40900	8.4
574.49353	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	574.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.2
54.39008	0.9
55.05514	12.8
57.03442	5.7
57.07081	38.0
59.05005	1.3
65.03943	1.4
67.05511	49.2
69.07076	12.6
71.04996	17.3
71.08238	1.5
71.08636	27.4
71.29439	2.2
73.61386	1.1
79.05497	14.0
81.07063	80.2
83.04967	2.8
83.08625	12.7
84.33490	1.0
85.06538	7.2
85.10188	13.9
87.04467	8.0
89.05976	1.2
91.05485	14.9
93.07046	13.1
95.04984	1.7
95.08615	26.0
96.08994	1.9
97.06510	3.2
97.07101	1.1
97.10184	6.5
99.08067	1.5
105.07039	9.9
107.08616	8.6
109.06554	1.3
109.10160	16.0
111.11716	1.6
117.06997	2.8
119.08605	1.5
121.10118	3.0
123.11707	13.6
131.08571	3.1
133.10149	14.1
135.11688	2.3
137.13257	1.8
149.13260	4.3
151.11198	5.4
159.11716	3.3
169.12178	1.5
177.12747	1.2
183.13803	3.8
187.13278	3.3
195.13832	1.3
195.64990	1.1
201.14876	1.8
239.23720	2.7
269.17465	4.5
283.26254	1.3
293.93396	1.0
298.77274	1.3
301.20062	21.6
313.27380	31.6
314.27676	1.9
317.24677	1.2
318.25055	1.4
326.19193	1.2
481.38934	100.0
482.39450	1.9
495.40231	5.4
507.40427	3.9
539.43085	48.1
540.43652	1.6
574.49194	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	573.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92402	1.6
53.03950	16.6
55.01875	12.9
55.05268	3.1
55.05513	39.6
55.27644	1.7
57.03436	9.2
57.07040	3.2
65.03947	5.0
65.21969	2.0
67.05506	84.6
69.03429	5.2
69.07075	25.9
70.93269	4.8
71.04984	6.5
73.06570	2.3
77.03954	2.8
77.86068	2.1
79.05496	100.0
81.03429	11.1
81.07061	99.0
83.04988	13.5
83.08621	19.2
85.06544	4.1
91.05482	84.0
93.07045	78.2
95.04964	22.8
95.08610	51.0
97.06535	21.6
97.10160	8.7
103.05464	3.7
105.04555	2.6
105.07037	75.7
107.04968	19.5
107.08598	40.0
109.06509	15.4
109.10172	23.0
111.04460	2.0
111.08093	6.1
117.07008	24.0
119.08579	47.1
121.06487	6.3
121.10156	16.3
123.08075	9.2
123.11722	5.5
125.09564	4.7
127.07533	3.5
128.06171	3.9
129.06999	19.1
131.08568	27.0
133.06453	5.0
133.10138	33.9
135.08083	6.4
135.11674	11.6
137.09601	5.9
141.06970	3.2
143.08546	11.0
144.99918	2.0
145.10121	26.9
147.08049	6.2
147.11691	44.6
149.09615	14.2
149.13214	5.5
151.11227	3.8
157.10130	5.7
159.11693	12.7
161.09622	6.4
161.13261	11.1
163.11218	12.4
165.12732	2.8
169.10138	5.6
171.11685	25.9
173.13298	5.7
175.11238	3.6
177.12654	3.2
179.14314	2.7
183.11714	4.2
183.31673	2.2
185.13203	2.5
187.11140	3.1
189.12720	7.8
191.14177	2.2
195.11792	2.7
197.13315	2.8
201.12729	2.5
207.13795	19.7
213.16388	2.0
227.12787	6.7
229.19566	6.5
239.17957	3.0
247.20686	3.4
253.14354	2.2
257.19003	8.6
267.15930	8.1
272.23914	2.2
273.18533	4.8
275.20078	68.7
281.17502	31.8
291.19534	6.2
293.21149	7.1
349.23727	24.9
447.04483	2.0
475.30536	7.3
537.35309	2.7
555.37122	29.6
573.38531	21.3
573.47430	4.4
598.30518	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	573.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
53.90335	1.2
55.01884	7.7
55.05314	1.1
55.05511	12.5
57.03440	8.4
59.04977	1.7
65.03945	2.9
67.05508	22.6
69.03413	4.2
69.07070	6.8
70.10310	2.7
70.10702	2.5
71.01346	2.0
71.04977	5.0
79.05069	1.8
79.05492	24.0
81.03423	68.1
81.07057	24.0
83.04980	6.2
83.08633	11.1
85.02914	22.5
85.06528	2.2
91.04983	1.8
91.05490	24.6
93.07040	15.1
95.01334	2.0
95.04979	17.5
95.08617	9.5
97.02883	3.5
97.06500	2.2
97.10169	3.8
99.04469	1.5
103.05470	3.5
104.06234	3.1
105.07035	24.7
107.04971	10.8
107.08578	7.4
109.02872	3.7
109.06543	6.1
109.10166	6.4
111.04440	3.6
111.08068	5.4
113.06008	2.9
115.05470	10.6
117.07053	7.8
119.04949	3.1
119.08607	12.3
121.06496	2.5
121.10154	7.5
123.04409	1.6
123.08055	2.4
123.11684	2.6
125.09626	2.0
128.06235	2.0
129.07062	6.4
131.04929	10.8
131.08588	8.8
133.06505	10.6
133.10129	7.9
135.04446	1.4
135.08055	2.1
135.11688	3.1
137.05986	3.3
137.09572	2.4
141.07013	3.3
142.07744	1.6
143.08549	5.0
145.06471	5.1
145.10135	4.9
147.04372	8.1
147.08061	3.1
147.10687	1.5
147.11696	7.3
149.09634	4.5
150.59146	1.2
151.11139	1.2
153.12770	2.1
155.08549	2.4
157.06522	3.6
157.10081	5.7
159.04433	7.9
159.08038	3.7
159.11688	2.8
160.05231	16.3
161.05994	23.6
161.09662	5.8
163.11217	3.4
166.07829	1.3
169.06442	1.2
169.10219	1.6
171.08014	3.5
173.05991	19.0
173.09679	2.8
173.11850	1.8
175.11136	6.2
185.09624	1.4
186.06776	1.4
187.07573	6.1
189.09155	2.7
191.10693	1.3
193.12254	13.5
194.15610	1.1
203.07155	1.3
203.10664	3.5
211.11365	1.8
211.13297	17.9
227.12788	2.0
243.13907	6.6
271.13306	31.4
273.14984	6.3
275.20023	4.0
283.15497	2.3
285.14423	3.0
285.17294	9.8
289.14380	24.0
301.14127	1.6
309.14963	1.3
313.14343	4.4
331.15402	3.1
345.16956	11.7
387.18063	4.2
405.19098	1.8
481.25690	1.6
549.69287	1.5
555.29352	8.5
573.30518	100.0
574.31238	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	572.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.05509	14.4
56.40443	1.7
57.03442	13.9
57.06798	2.2
57.07075	37.1
57.55454	1.7
64.97751	1.9
66.14008	1.7
67.05244	1.8
67.05512	21.5
69.07075	12.3
69.19235	11.0
69.19656	6.8
71.08632	24.1
79.05495	10.3
81.03421	68.4
81.07061	20.2
83.05048	2.4
83.08618	16.8
85.10178	11.2
85.66053	1.7
87.21093	1.9
89.06024	2.9
91.05489	16.9
93.07036	7.8
95.04977	15.7
95.08608	22.3
97.10162	4.3
105.07030	11.8
106.94453	2.0
107.04940	3.5
107.08588	5.4
109.10172	9.0
111.08073	3.9
117.07028	2.0
119.08579	10.8
121.10118	7.0
123.08129	2.0
123.11732	2.2
129.06985	6.9
131.08582	7.2
133.08563	2.8
133.10085	3.6
142.07730	2.7
145.10100	3.3
147.11620	4.1
149.09619	3.1
153.21129	2.0
157.10165	6.5
175.11201	4.2
193.12276	20.2
219.02576	2.0
239.23653	4.5
245.86673	1.9
249.14754	2.8
267.15933	100.0
283.26385	4.2
313.27383	87.3
314.27673	4.3
381.95642	2.3
505.38876	72.0
566.91034	1.9
573.24823	7.3
573.48639	5.1
577.91003	1.9
578.54309	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	573.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	6.4
55.01873	6.7
55.05515	13.4
57.03439	9.3
57.07080	1.8
59.04998	1.2
65.03948	2.7
65.92278	0.9
67.05508	20.9
68.03020	1.2
69.03419	4.1
69.07071	7.4
70.04089	1.0
70.06583	1.2
71.04983	4.2
71.51953	1.3
73.02884	1.1
78.04702	1.5
79.05499	23.3
81.03424	74.3
81.07062	25.2
83.04989	7.4
83.08627	11.2
85.02438	1.7
85.02912	23.5
85.06551	1.5
91.05485	27.9
93.03376	1.4
93.07051	13.7
95.01308	1.8
95.04973	17.9
95.08611	11.9
97.02898	3.1
97.06528	3.6
97.10162	4.2
103.05481	3.8
104.06227	3.3
105.07038	23.7
107.04949	9.3
107.08586	10.3
108.19582	1.0
109.02881	4.6
109.06521	4.0
109.10197	5.7
111.04446	3.6
111.08071	4.6
113.06034	2.4
115.05440	12.2
116.06277	1.1
117.07018	6.1
119.04929	3.4
119.08584	12.1
119.19610	1.0
120.08136	1.7
121.02855	1.1
121.06511	3.3
121.10146	8.8
123.04427	1.9
123.08078	2.5
123.11713	2.2
125.09670	2.4
126.48270	1.1
128.06261	1.7
129.06995	9.1
130.07811	1.7
131.04932	13.9
131.08583	8.3
132.05714	2.6
133.06499	10.1
133.10149	6.4
135.04449	1.8
135.08009	2.1
135.11682	2.9
137.05998	3.6
137.09601	2.5
141.07001	4.0
142.07793	2.2
143.04855	1.2
143.08566	3.2
145.06528	5.5
145.10152	6.5
147.04407	6.2
147.08040	3.8
147.11707	6.4
149.05981	1.2
149.09624	4.2
153.12756	1.2
155.08536	1.8
157.06479	3.5
157.10092	5.6
158.07355	1.4
159.04454	6.1
159.08051	3.2
159.11656	1.8
160.05205	22.2
161.05992	27.7
161.09625	8.1
161.13286	1.4
163.11169	3.4
165.12750	2.7
169.06543	2.2
169.10155	2.3
171.08029	1.9
171.11665	1.7
173.05998	25.7
173.09615	2.4
175.07559	1.4
175.11189	7.9
179.03484	1.4
181.12267	2.0
183.11667	1.6
185.06000	1.3
185.09618	2.2
187.07571	7.2
189.09087	4.3
191.10783	1.4
193.12248	16.1
199.07489	1.7
199.11069	1.1
203.10768	5.9
207.11627	1.3
211.07529	1.3
211.11317	2.3
211.13300	22.7
216.81482	1.1
227.12820	2.8
243.13870	6.9
267.15930	1.5
271.13281	30.0
273.14877	4.8
273.17972	1.1
275.20154	3.3
283.15518	1.8
285.17075	9.9
289.14365	30.0
289.17618	1.5
313.14389	1.5
345.16934	14.5
346.09216	1.1
387.17712	1.4
555.29901	6.7
573.30524	100.0
574.30743	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	572.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53794	0.4
53.03945	0.4
56.96560	0.9
61.92767	0.4
69.03430	1.1
70.06577	0.4
71.51395	0.6
79.05509	1.1
81.03413	0.6
85.02894	0.9
91.05486	1.3
93.07051	1.8
97.02880	1.0
98.97593	2.0
103.05473	7.0
105.04511	0.6
107.04961	2.2
110.97578	0.6
120.08116	100.0
121.06495	0.6
121.08446	0.8
123.04430	0.8
128.98590	0.7
131.04926	3.5
133.02841	1.3
137.05960	0.9
147.04439	1.3
149.06023	3.4
153.01834	2.3
153.65297	0.4
165.05513	1.5
166.08653	46.2
167.07088	1.8
177.01915	0.7
177.05489	3.5
185.30696	0.4
186.84293	0.4
197.08124	3.5
209.08125	3.2
219.01826	0.9
227.09235	1.3
237.02780	0.9
277.03522	0.8
303.01379	1.9
309.08731	0.6
341.67206	0.5
425.05432	0.4
438.66238	0.5
438.91522	0.5
444.13217	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45882	4.4
55.05516	10.7
57.07068	6.0
67.05178	6.5
67.05511	94.0
69.03419	12.5
69.07054	9.5
69.49688	4.4
71.52040	5.6
79.05490	24.2
81.07060	89.4
83.08586	5.4
89.06047	5.4
91.05473	16.1
93.07051	28.4
95.04986	6.2
95.08616	100.0
105.07026	13.9
107.08617	19.0
109.10171	56.6
117.07005	5.1
119.08584	7.0
119.25298	4.0
121.10140	11.2
123.04455	9.8
123.11691	21.9
125.02366	47.3
127.82450	3.9
129.07014	6.0
131.08580	4.9
133.10126	4.7
135.11700	10.0
137.13309	6.4
145.06488	4.6
145.10107	6.7
149.13274	8.1
153.01834	56.0
157.10060	4.1
161.06020	6.4
171.08086	5.7
175.03883	4.5
175.14780	6.0
181.06487	4.9
185.04488	9.5
189.16269	4.8
195.08055	3.9
219.06430	4.9
267.51190	4.7
345.11337	4.2
408.95740	4.1
471.88150	5.2
495.27789	5.7
523.26788	7.3
555.29791	33.2
572.46802	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	571.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.0
53.03950	13.5
54.58966	1.7
55.01878	11.0
55.05514	28.0
55.76887	1.7
57.03434	5.7
57.07078	4.7
57.61200	1.6
60.67258	1.9
65.03943	7.4
67.05511	89.2
67.46310	1.6
68.63239	1.9
69.03423	5.3
69.07075	21.2
71.04996	4.1
71.51466	1.9
77.03905	2.0
79.05502	93.0
81.03429	15.4
81.07065	92.0
83.04993	21.5
83.08624	11.4
85.06547	5.2
91.05486	100.0
93.07050	80.1
95.04980	26.7
95.08609	49.2
97.02861	2.7
97.06519	10.1
97.10157	5.5
103.05476	5.2
105.04499	3.6
105.07042	74.2
106.34312	1.8
107.04967	19.6
107.08611	41.3
109.06527	13.4
109.10157	21.9
111.04469	2.6
111.08083	6.1
115.05480	7.8
117.07018	22.7
119.04995	2.1
119.08595	38.5
121.06525	10.9
121.10155	14.8
123.04449	1.8
123.08041	8.3
123.11712	4.3
125.09645	2.9
128.06226	8.2
129.07013	19.8
131.08568	30.5
133.06493	10.8
133.10135	37.2
135.08054	14.8
135.11688	9.4
137.09660	3.3
141.06975	2.8
142.07791	3.5
143.08562	20.0
145.06506	3.3
145.10136	24.6
147.08032	8.2
147.11707	28.0
149.06062	3.0
149.09628	14.7
149.13261	2.2
151.11198	11.4
154.33649	1.8
155.08589	4.2
156.09457	1.9
157.10115	10.7
159.08075	6.6
159.11707	9.3
161.09613	12.7
161.13301	11.0
163.11195	5.4
165.09157	4.2
167.72375	1.7
169.10129	3.8
169.12308	2.9
171.08076	2.1
171.11667	19.1
173.09651	3.4
173.13293	4.9
175.11224	7.5
177.09125	7.2
177.12697	3.5
179.14339	2.2
181.10062	2.2
183.11691	3.8
185.09627	2.9
185.13290	4.5
187.11189	4.5
187.14761	2.1
189.12706	10.7
195.10197	2.2
197.13246	2.4
201.12764	2.6
207.13850	14.3
213.11218	4.0
219.13875	1.7
227.17969	3.1
245.19000	9.3
251.12733	4.8
253.14413	6.4
255.17549	5.3
263.20157	6.5
269.13794	2.1
273.18518	44.6
275.19839	2.3
281.17569	12.4
285.22217	4.8
291.19568	45.4
309.20560	4.8
347.22214	13.6
365.23300	6.4
470.08295	1.9
475.26941	2.7
479.31631	2.5
497.32513	2.1
498.59332	1.7
553.34869	11.7
571.36224	52.3
571.46490	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.6
53.53975	1.7
64.91235	1.5
65.03934	2.1
67.05521	1.6
69.03432	3.0
69.45031	3.8
69.45423	13.0
70.06610	1.9
76.29630	1.7
79.01850	2.8
79.05507	2.1
81.03421	3.0
85.02927	2.8
91.05492	11.8
95.04974	28.0
97.02908	3.7
98.21597	2.0
105.04526	1.8
107.04970	52.7
109.02911	4.7
111.04511	2.3
119.04951	52.1
119.05791	3.0
120.05780	2.1
121.02895	3.7
123.04440	91.4
125.02368	1.8
127.03922	4.6
135.04427	26.5
143.03429	3.4
147.04422	13.2
153.01839	65.9
153.02776	3.3
163.03928	5.2
165.07051	2.8
171.02885	5.2
183.08110	4.2
211.07561	3.6
213.10240	1.8
223.13307	3.1
224.13721	2.1
229.06430	3.6
229.08578	27.7
239.06920	4.4
241.09734	2.7
243.11270	4.7
253.09735	5.7
257.08090	26.5
259.10864	2.9
267.07687	3.4
267.11417	4.3
268.08539	5.4
271.10794	24.2
277.11884	2.3
285.08813	4.4
285.12360	4.2
289.11899	2.4
295.10797	4.1
297.06055	5.1
299.14026	2.8
313.08554	2.1
313.11920	6.3
323.10278	7.9
335.12097	2.1
341.11319	15.0
355.12991	4.5
373.13901	18.4
373.52847	1.9
391.11218	1.3
391.15082	25.8
409.16119	100.0
571.21637	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13163	1.1
56.96555	2.2
57.85424	1.0
68.31819	1.3
69.03430	5.7
69.32745	1.5
69.33153	8.7
70.06623	1.1
73.02916	3.0
76.19370	1.2
79.11926	1.0
81.03419	2.7
82.99874	2.2
85.02907	8.4
97.02875	3.3
98.97594	4.1
101.00880	13.5
109.02930	1.4
110.97567	1.9
113.00883	4.2
116.98613	2.3
119.01926	21.2
123.11682	1.4
127.02414	4.0
127.03927	2.8
128.98627	1.5
131.01920	9.3
133.03525	3.3
139.02487	2.1
143.01892	29.4
145.03481	12.0
145.04918	3.8
153.01852	5.5
155.01912	21.9
157.03470	8.3
159.01529	1.3
161.02974	20.4
167.01917	11.6
168.99818	3.7
169.03497	3.7
171.01434	2.8
171.05040	2.0
173.02980	21.5
175.04553	2.2
177.00763	3.0
179.01955	4.6
181.03400	1.5
183.01396	2.9
183.05156	1.9
185.02988	36.4
186.03093	1.6
187.00946	2.8
187.04579	5.5
189.00746	1.4
189.02454	1.9
191.03970	3.3
197.02985	16.3
199.00880	2.7
199.04543	1.5
201.00803	3.1
201.02446	3.3
203.04005	10.8
209.02980	2.5
211.04523	1.6
213.02464	2.9
215.00401	3.5
215.03935	7.2
217.01971	2.4
219.01801	3.1
219.03622	1.9
221.05048	4.2
225.02617	1.7
227.04007	8.4
228.05733	1.6
228.55568	1.2
229.02100	2.5
229.05908	1.7
231.03540	2.3
237.02699	1.8
239.04092	2.0
245.05104	100.0
246.05362	3.0
247.03055	4.5
247.05171	1.8
247.08327	1.2
257.05133	4.7
259.02988	2.5
261.02789	3.0
263.06158	12.6
271.02991	1.9
275.02963	2.8
275.06070	16.1
281.07257	2.2
289.04092	16.9
293.07147	2.3
301.03998	3.7
305.07193	11.2
306.07202	1.4
307.05115	9.0
317.03809	1.4
317.07233	1.5
319.05176	4.8
319.08612	1.4
323.10178	1.5
331.05103	2.8
333.06790	2.3
335.08258	5.2
343.05585	1.5
349.06042	9.2
359.04532	3.6
360.55115	1.3
361.06116	1.5
365.09323	15.0
373.05920	1.4
377.05713	2.2
391.07346	7.2
409.08279	8.1
410.08682	1.3
473.80655	1.3
511.11325	3.0
539.11176	2.2
553.12506	1.3
571.13177	5.6
571.21729	3.4
578.80591	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1294
Annotation	2''-O-p-Hydroxybenzoylorientin
Peak:m/z	Relative Intensity
50.93165	0.4
53.03954	1.1
57.03439	0.6
65.03944	3.4
68.13958	0.5
68.99800	0.5
69.03424	2.1
69.81352	0.4
70.83083	1.1
79.24419	0.4
81.03429	8.7
85.02909	1.8
94.15626	0.4
95.04973	5.0
97.02896	5.4
99.04466	0.6
106.72910	0.5
109.02890	3.5
111.04455	1.6
115.59540	0.5
121.02879	100.0
121.03905	3.6
122.03234	0.8
127.03907	2.3
139.03915	13.3
145.04976	1.0
153.01855	2.4
165.01875	1.2
202.51372	0.4
213.05524	0.7
258.05322	0.7
265.07092	9.1
283.08105	2.7
287.05524	48.8
288.05795	1.0
309.78305	0.5
473.08435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3838
Annotation	Integracin C
Peak:m/z	Relative Intensity
53.03939	5.1
55.01856	3.9
55.05276	1.6
55.05515	21.0
57.03423	3.1
57.07057	3.0
59.55349	1.3
65.03121	1.0
65.03928	4.8
67.05508	54.2
69.03423	1.6
69.07073	12.6
69.84704	3.8
69.85114	2.2
71.01351	1.8
71.04979	2.5
77.03911	1.5
79.05498	51.8
81.02994	1.2
81.03426	15.7
81.06596	2.2
81.07061	42.1
83.05002	5.3
83.08617	7.7
85.06528	2.2
91.05486	37.8
93.07047	49.3
93.07646	2.4
95.04970	46.0
95.08610	27.3
97.06527	3.2
97.10183	6.4
98.21513	1.2
105.04491	1.8
105.07035	24.4
107.04961	9.1
107.08598	25.5
109.02862	4.4
109.06505	4.7
109.10172	11.3
111.04464	1.2
111.08067	2.9
115.05461	3.0
117.07024	16.9
119.04906	1.5
119.08578	17.4
121.06515	5.7
121.10142	19.4
122.34607	1.0
123.04433	29.9
123.08038	3.7
123.11726	2.8
125.09641	5.0
128.06218	3.2
129.07010	10.2
130.07779	1.2
131.04926	3.1
131.08569	16.9
133.06482	1.6
133.10153	10.4
134.09679	1.5
135.08011	4.0
135.11705	12.4
137.05969	2.4
137.09604	1.7
141.07005	2.8
142.07787	2.2
143.08568	8.7
145.06531	5.3
145.10127	18.4
147.08038	6.1
147.11707	7.8
149.09689	3.3
149.13239	3.2
153.09097	3.9
155.08545	5.1
157.10150	5.5
159.08066	2.1
159.11726	8.2
160.11214	3.5
161.09560	2.7
161.13272	4.7
163.11192	13.2
163.14815	1.8
167.08548	1.7
169.10097	5.8
171.08128	2.6
171.11665	7.4
173.09679	5.9
173.13278	4.7
175.14857	2.0
178.12321	2.9
181.10153	2.7
183.08098	1.7
183.11673	4.0
185.09642	2.1
185.13304	3.4
187.11165	1.2
187.14844	1.2
189.11252	1.8
189.12776	4.4
191.10623	3.0
193.10156	1.3
195.11703	2.2
197.13251	2.7
199.11172	2.4
199.14850	2.4
205.12219	1.4
207.11916	1.8
207.13805	7.4
209.13316	1.6
211.11252	1.1
211.14847	1.5
213.16508	1.8
217.12282	5.5
221.13235	2.0
227.12679	2.0
235.13258	38.6
237.45151	1.2
258.08957	3.3
261.22101	4.2
271.20480	1.2
273.14789	2.6
291.16061	2.1
312.46964	1.5
325.25134	2.6
459.32712	3.7
471.34573	1.4
477.33582	6.4
495.34763	3.5
551.37445	6.0
569.38330	100.0
570.38354	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04350	0.2
51.79575	0.3
55.01887	0.2
55.87151	0.2
65.03943	3.3
68.99791	0.6
69.03429	0.6
71.01329	0.3
71.07104	0.2
71.07455	0.5
80.78137	0.2
81.03425	0.6
85.02923	1.0
94.00051	0.2
95.04987	1.2
97.02888	0.8
99.04456	0.3
107.04915	0.3
109.02898	0.5
111.00802	0.5
111.04453	1.7
120.04385	0.3
120.93807	0.3
121.02876	100.0
122.03216	0.8
127.03895	0.6
133.02962	0.2
137.02382	0.6
139.03879	1.4
145.04948	0.3
147.04349	0.4
153.01823	3.3
157.06551	0.3
165.01868	1.1
183.02882	0.5
185.05951	0.4
213.05544	0.7
223.06021	0.2
223.91901	0.3
231.06563	0.5
241.04964	0.4
258.05243	1.0
265.07086	1.0
283.08112	5.4
287.05515	65.8
288.05811	1.0
296.33929	0.3
329.06531	0.8
424.78043	0.2
427.12442	0.2
455.55042	0.3
481.48953	0.3
494.02045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1293
Annotation	Perfoliatumin A
Peak:m/z	Relative Intensity
54.91723	0.2
55.05478	0.3
65.03941	2.8
67.05514	0.4
68.99798	0.7
69.03434	0.6
71.62701	0.2
72.06863	0.2
79.05515	0.5
81.03412	1.5
81.07073	0.3
85.02901	1.0
91.05467	0.3
93.03414	0.8
97.02923	0.6
99.04468	0.3
105.03381	0.4
105.07057	0.3
107.04986	0.4
109.02897	0.9
111.00819	0.6
111.04436	0.7
121.02874	56.6
122.03209	0.4
127.03921	0.5
133.02910	0.4
137.02365	0.7
137.09674	0.2
139.03905	3.2
145.04980	0.3
147.04378	0.6
153.01851	4.2
157.06502	0.6
165.01857	1.5
171.04460	0.4
183.02902	0.9
185.05965	0.4
185.16125	0.2
213.05473	1.3
229.55437	0.3
231.06573	0.8
241.04970	0.7
242.08566	0.3
258.05255	1.5
259.06015	0.3
265.07126	1.3
283.08090	0.8
287.05508	100.0
288.05786	1.1
569.30139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
54.15398	1.4
55.05516	13.0
57.07077	11.3
59.05008	1.4
64.20447	1.5
65.03944	3.3
67.05505	18.1
69.03409	2.1
69.07079	16.3
69.50357	5.2
69.50780	4.9
70.06581	2.7
71.08633	2.0
76.62957	1.2
76.89063	1.4
79.05502	24.4
80.06288	3.3
81.07065	35.0
83.04972	3.0
83.08624	7.7
88.07620	2.6
91.05486	41.9
92.06270	2.5
93.06482	3.0
93.07048	52.1
94.07815	3.7
95.04976	40.2
95.08611	29.5
97.10175	1.5
98.20764	3.3
102.09181	2.7
103.05465	3.3
105.04539	2.0
105.07037	85.1
106.07785	4.9
106.82870	1.6
107.08601	43.3
109.06509	4.3
109.10152	20.2
115.05433	4.8
117.07017	27.2
118.07790	2.9
119.08591	100.0
120.09387	8.3
121.06559	2.0
121.09325	2.5
121.10149	29.7
123.08079	16.2
123.11707	6.9
125.09588	2.3
125.76548	1.4
128.06245	7.8
129.07013	17.0
130.07799	10.8
131.08585	47.6
132.09395	12.1
133.10136	59.6
134.10883	5.4
134.19804	1.6
135.08069	6.0
135.11705	18.4
137.09608	5.0
138.10396	6.1
139.11176	3.3
141.06979	8.0
142.07796	16.7
143.08571	42.1
144.09360	16.2
145.10133	97.7
146.10890	5.4
147.08076	2.1
147.11688	25.5
148.12508	2.0
149.09622	6.9
149.13181	5.0
151.11145	2.6
153.06981	3.5
154.07793	2.1
155.05959	1.8
155.08571	17.5
156.09358	16.5
157.10139	55.1
158.10928	14.4
159.11696	41.2
160.12451	3.8
161.09615	5.8
161.13260	9.0
163.11174	2.1
163.14760	2.0
165.06995	6.3
166.07748	1.7
167.08603	9.2
168.09378	5.2
169.10147	26.5
170.10963	10.4
171.11696	34.3
172.12477	6.1
173.13295	32.2
174.14020	3.0
175.11177	2.7
175.14819	15.7
177.12766	7.2
179.08609	10.2
180.09363	3.4
181.10133	16.2
182.10866	10.2
183.11699	27.2
184.12425	6.7
185.13272	26.7
186.14075	8.0
187.14809	17.5
189.12711	4.2
191.14272	9.6
192.09309	3.7
193.10103	6.6
193.15814	2.4
194.10957	9.9
195.11717	21.5
196.12476	10.4
197.13268	27.3
198.14018	6.6
199.14847	13.5
200.15562	1.9
201.12759	4.2
201.16386	8.5
203.14311	4.5
204.15137	1.9
205.10211	2.4
205.15933	2.2
206.10950	2.9
207.09975	1.7
207.11674	11.1
208.12469	5.1
209.13266	27.4
210.13995	3.4
211.14812	19.6
213.16386	5.8
215.14409	2.1
217.10159	2.4
217.15862	5.5
219.11681	2.6
219.17412	2.7
220.12479	2.3
221.13243	10.4
222.14069	3.1
223.14865	13.6
224.15561	3.6
225.12743	2.0
225.16411	7.6
226.17302	1.6
227.18054	2.9
231.11603	2.0
231.17532	2.3
233.13248	4.9
234.13957	2.0
235.14856	7.1
236.68291	1.6
237.16370	8.7
239.17987	7.4
241.19469	5.8
243.17645	1.5
247.14810	2.8
249.16461	4.7
251.17883	4.9
252.18890	2.0
253.19444	2.0
255.17558	2.6
257.19113	2.6
259.14832	2.1
259.20486	2.5
261.16528	3.6
263.17941	5.1
264.18613	1.9
265.19525	4.4
267.21103	3.0
269.19128	1.7
271.20523	2.4
272.21384	1.9
277.19418	3.7
279.21143	2.7
283.20547	5.8
284.29492	6.1
285.22165	3.7
291.20953	2.2
305.22659	3.9
309.22003	1.8
310.22806	1.6
311.29364	8.1
312.32703	2.2
323.23633	7.4
337.25082	2.8
338.26053	39.3
370.89270	1.6
420.30197	3.7
430.32419	14.6
476.36734	14.9
568.42926	21.0
568.56366	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	568.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.4
53.94692	1.1
55.05515	10.7
57.07080	8.7
59.05005	2.1
62.37806	1.1
65.03948	3.7
67.05510	16.3
69.03432	2.3
69.07076	13.9
70.06612	1.2
70.07987	2.2
70.08392	4.0
70.29892	1.0
71.08636	2.4
77.03929	1.6
79.05504	24.1
80.06274	4.0
81.07068	33.4
83.04988	3.4
83.08624	5.2
85.06538	2.4
85.18199	0.9
86.97976	1.2
88.07639	3.9
89.06008	1.2
91.05489	39.6
92.06286	2.2
93.07055	44.5
94.07809	2.0
95.04983	34.1
95.08058	2.0
95.08624	25.8
97.06564	1.7
97.10213	1.3
103.05472	3.9
105.07046	79.5
106.07836	5.0
107.07876	2.1
107.08608	40.1
108.09386	1.8
108.25362	1.2
109.06534	3.0
109.10162	18.2
109.33263	1.2
111.08090	2.6
115.05489	4.9
116.06258	1.9
117.07034	26.0
117.07856	1.8
118.07835	2.8
119.08598	100.0
120.09422	8.1
121.06521	3.0
121.09326	2.1
121.10161	31.4
122.10969	1.8
123.08088	12.3
123.11709	6.2
125.09615	1.9
128.06241	8.7
129.07031	15.6
130.07826	9.4
131.08594	42.8
132.09389	11.1
133.10144	52.5
134.11000	7.0
135.08075	5.8
135.11699	15.5
137.09621	6.8
138.10397	8.5
139.11212	1.8
141.06995	8.6
142.07803	14.2
143.08577	39.0
144.09378	10.7
145.10139	79.2
146.10930	6.1
147.08051	1.6
147.11711	23.7
148.12428	1.4
149.09612	5.5
149.13264	3.6
151.11156	3.8
151.14900	1.4
153.07027	3.6
154.07808	3.2
155.08574	14.7
156.09392	15.5
157.10152	46.7
158.10934	11.1
159.07990	1.3
159.11714	39.0
160.12488	3.4
161.09689	7.0
161.13303	5.8
163.11171	2.5
163.14995	1.3
165.07039	4.0
165.12849	1.3
166.07718	1.8
167.08565	8.5
168.09373	4.8
169.10143	24.6
170.10941	8.0
171.11700	31.8
172.12584	6.1
173.09621	1.9
173.13289	27.0
175.11293	1.5
175.14865	19.9
177.12776	6.2
179.08559	8.7
180.09331	3.2
181.10152	14.4
182.10909	8.3
183.11723	28.5
184.12445	6.0
185.13278	24.7
186.14064	8.0
187.11195	1.4
187.14854	14.2
189.12749	4.2
191.14351	10.3
192.09395	2.5
192.15050	2.3
193.10165	6.0
193.15796	2.0
194.10968	7.2
195.11722	19.5
196.12509	9.1
197.13278	27.1
198.14049	6.5
199.14873	11.5
200.15648	1.7
201.12737	3.6
201.16371	7.9
203.14328	2.8
205.10263	1.6
205.15855	3.4
206.10941	2.9
207.11760	9.7
208.12491	2.7
209.13290	22.7
210.14038	5.1
211.14836	19.5
212.15544	2.3
213.16415	5.1
215.14256	1.4
217.15846	6.3
219.11729	2.8
219.17526	3.4
220.12619	3.1
221.13283	7.8
222.14038	2.8
223.14789	10.6
224.15620	4.6
225.16408	9.3
226.17204	2.2
227.17955	2.3
229.15863	2.0
231.17482	1.9
233.13226	2.8
234.14044	2.0
235.14801	6.2
237.16441	9.4
238.17079	1.3
239.18005	8.0
241.19579	2.9
245.13348	2.3
245.19135	1.5
247.14879	2.8
249.16432	4.9
251.18045	4.0
253.19579	3.2
254.19751	1.6
257.18997	2.2
259.20651	3.3
261.16418	2.0
263.17920	5.0
265.19516	5.4
270.19977	2.5
272.21387	2.4
273.16425	1.4
275.17920	2.9
277.19519	2.3
279.21048	1.8
281.19089	1.2
283.20584	3.9
283.26486	1.7
284.29578	5.8
285.22092	3.4
290.20316	1.7
297.22134	2.5
305.22620	3.0
309.22049	3.3
311.29468	6.5
312.32837	1.6
319.23996	1.4
320.24951	2.1
323.23593	7.1
337.25342	2.1
338.26071	40.9
349.25345	2.0
357.41275	1.3
375.26816	1.7
415.29913	1.5
420.30170	2.7
429.31546	1.2
430.32355	15.2
458.35098	2.0
476.36627	14.3
568.42871	25.7
568.56451	18.3
569.58118	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.9
55.05517	12.3
57.07073	9.4
59.05001	2.1
65.03941	3.1
67.05508	21.1
69.03431	2.4
69.07072	15.9
69.31837	11.4
70.06596	2.4
71.05000	2.0
71.08645	3.2
71.97481	1.2
78.04711	1.2
78.65746	1.2
79.05502	23.5
80.06281	3.8
81.03469	1.5
81.06586	2.3
81.07063	38.0
83.04999	2.8
83.08613	8.1
83.70479	1.2
85.06553	3.9
87.76466	1.3
88.07644	2.1
91.05484	45.4
92.06269	2.8
93.07049	51.0
94.07880	1.9
95.04973	37.4
95.08617	31.0
97.06535	2.5
102.09203	3.3
103.05479	5.6
104.06230	1.9
105.04563	1.5
105.07040	80.0
106.07825	5.4
107.08605	46.1
108.09422	2.1
109.06519	3.6
109.10162	19.7
111.08076	1.8
112.90745	1.3
115.05465	5.1
116.06261	3.2
117.07026	25.3
118.07835	1.6
119.08588	100.0
120.09397	8.7
121.06521	2.1
121.10159	31.8
123.08065	16.9
123.11709	5.8
125.09632	2.1
128.06244	9.8
129.07005	19.5
130.07794	11.3
131.08582	53.7
132.09384	10.8
133.06517	1.8
133.09122	2.7
133.10143	56.4
134.10941	7.8
135.08044	6.1
135.11705	20.0
137.09654	5.5
138.10416	8.9
139.11211	3.5
141.06993	8.0
142.07780	15.1
143.08568	44.6
144.09363	17.6
145.10130	90.8
146.10907	6.7
147.08156	2.0
147.11700	28.2
149.09621	4.8
149.13275	4.2
151.11234	3.6
153.07036	2.6
154.07825	2.9
155.08556	18.1
156.09357	16.7
157.10146	52.5
158.10930	12.9
159.08109	2.8
159.11710	40.5
160.12419	2.3
161.09604	4.2
161.13289	6.9
163.11195	4.5
163.14836	1.5
165.06989	4.2
166.07838	2.4
167.08580	7.8
168.09326	6.8
169.10144	25.2
170.10909	7.9
171.11699	34.7
172.12483	6.3
173.09610	2.3
173.13283	30.4
174.14026	2.5
175.11281	1.5
175.14839	22.0
177.12791	6.1
179.08508	7.7
180.09340	3.6
181.10124	15.7
182.10925	8.5
183.11700	30.1
184.12476	8.6
185.13268	25.5
186.14034	7.9
187.14807	13.7
189.12753	4.1
189.16321	3.1
191.08598	1.8
191.14345	12.2
192.09407	2.5
192.15173	2.4
193.10114	8.9
193.15895	2.5
194.10880	9.8
195.11700	18.6
196.12462	7.9
197.13274	31.9
198.14061	7.1
199.14819	12.2
200.15617	2.2
201.12744	4.9
201.16367	7.2
203.14352	3.3
205.10144	1.6
205.15956	2.5
206.10915	3.3
207.11694	11.6
208.12488	4.8
209.13261	24.5
210.14154	4.3
211.14819	18.0
212.15419	2.1
213.16364	6.5
215.14314	1.4
217.15819	6.7
219.11763	3.0
219.17355	1.8
220.12520	2.6
221.13356	8.4
222.13983	1.9
223.14787	12.0
224.15674	5.1
225.16373	10.6
226.17235	4.8
227.14351	2.4
227.18057	2.4
229.16136	1.5
231.11743	2.3
231.17447	3.5
233.13264	5.1
234.14076	2.6
235.14751	8.8
237.16391	8.8
238.17017	2.2
239.17955	5.4
241.19559	5.3
241.63326	1.4
245.13266	2.5
245.18915	1.6
246.14006	1.7
247.14847	2.0
249.16501	6.5
251.18069	4.5
252.49440	1.2
253.19629	1.6
255.17464	2.0
257.18860	2.7
259.20511	4.7
260.15744	2.1
261.16470	4.7
263.18069	6.2
265.19574	5.5
267.21100	2.0
269.19061	1.8
270.19977	1.6
271.20056	1.4
275.17996	2.6
277.19574	4.5
279.21170	1.9
281.19019	3.1
283.20667	2.9
283.26279	3.2
284.21188	1.7
284.29398	7.0
285.22107	2.9
287.39905	1.2
289.19437	1.7
293.19144	1.8
297.22171	3.7
305.22668	3.7
309.22348	1.9
311.29449	7.3
312.32697	1.8
321.22241	2.0
323.23712	7.9
331.24332	2.1
337.25259	1.9
338.26050	45.7
349.25308	1.5
351.26810	2.1
363.00372	1.6
416.77066	1.6
420.30206	3.1
429.31512	2.0
430.32269	14.0
458.35434	2.7
476.36520	15.6
568.42859	30.5
568.56445	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	567.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93217	1.7
51.75324	1.3
52.13673	1.9
52.66509	1.6
53.03948	9.3
55.01875	2.2
55.05512	24.5
55.96356	1.4
57.03428	7.6
57.07069	2.2
59.04995	3.7
62.21693	1.7
65.03953	4.2
67.05509	100.0
69.03432	16.7
69.07075	15.0
71.01361	2.1
71.04981	6.7
74.34378	1.4
79.05496	29.8
81.03424	65.9
81.07063	56.6
83.04996	14.2
83.08627	14.4
85.02903	8.1
85.06544	3.0
89.10963	1.7
91.05489	25.0
93.07055	32.6
95.04967	6.9
95.08619	15.5
97.02922	12.9
97.06545	4.5
97.10162	10.8
99.04459	4.5
105.04478	1.9
105.07037	9.8
107.02296	1.5
107.04974	3.4
107.08588	15.8
109.02879	13.8
109.06533	2.7
109.10164	52.6
111.04465	11.4
111.08115	5.9
114.93640	1.8
115.05437	2.0
117.07026	8.2
119.08602	11.1
121.06541	3.1
121.10183	10.7
123.08097	2.6
123.11662	2.9
125.09624	7.9
127.03944	10.9
129.06981	3.4
131.08595	9.8
133.06503	1.7
133.10164	6.2
135.08072	3.2
135.11684	5.8
137.09602	2.7
139.11192	1.7
143.08594	3.7
145.10098	2.3
147.11711	4.1
149.05992	1.9
149.13281	13.4
155.10687	7.0
157.10065	1.9
157.35994	1.6
159.08095	2.0
159.11699	8.2
161.09607	2.2
165.12793	2.4
171.11703	2.1
173.11832	13.8
173.13281	2.9
177.12743	4.3
181.10115	1.8
189.11275	7.8
189.12759	1.9
195.13873	10.2
202.67125	1.7
213.14862	1.8
227.12761	3.4
229.14391	12.5
253.14238	2.2
267.15967	4.2
269.17651	2.3
275.16281	1.9
299.14886	11.1
303.15952	3.8
339.18121	6.8
355.17639	8.3
377.19614	2.6
395.20670	4.7
398.64105	1.8
407.42383	1.6
420.11432	1.8
423.27472	12.6
439.27026	2.3
480.31015	1.7
489.28735	3.8
549.30756	8.0
567.31628	95.6
568.32495	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	568.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.8
53.03935	4.2
55.05309	1.1
55.05520	12.6
57.07074	8.2
65.03943	3.0
67.05515	17.3
69.03424	2.0
69.07076	10.8
71.04985	1.5
71.73447	1.2
73.08320	1.4
75.25990	1.4
77.77586	1.0
79.05074	1.7
79.05499	24.0
80.06271	3.8
81.06593	1.9
81.07066	36.3
83.04963	3.4
83.08617	4.2
85.06537	4.3
89.50632	1.3
91.05486	41.9
92.06278	2.7
93.07052	51.7
93.07639	3.0
94.07825	3.1
95.04975	36.8
95.08053	2.2
95.08614	25.9
97.06508	3.0
98.21548	2.4
103.05466	5.7
105.04518	1.9
105.07040	86.0
106.07803	4.3
107.08599	45.1
108.09400	2.8
109.06525	4.5
109.10165	19.4
111.08031	1.4
113.20721	1.4
115.05427	8.0
116.06204	1.7
117.06244	2.1
117.07027	28.3
118.07779	3.5
119.08591	100.0
120.09388	9.1
121.06520	3.0
121.10141	32.5
122.10979	1.9
123.08080	17.6
123.11716	6.0
125.09655	2.5
128.06232	10.7
129.07014	17.4
130.07764	9.9
131.08572	51.6
132.09366	14.3
133.06444	1.5
133.10141	56.9
134.10909	7.4
135.08066	6.6
135.11682	14.9
137.09595	7.1
138.10396	9.0
139.11160	1.5
141.06993	9.2
142.07777	19.9
143.08572	47.5
144.09358	14.8
145.10133	94.1
146.10867	5.9
147.08034	3.4
147.11703	27.7
148.12491	2.0
149.09619	6.9
149.13249	4.6
151.11137	2.6
153.07033	3.6
154.07788	3.6
155.06096	1.7
155.08546	20.6
156.09343	19.3
157.10143	48.8
158.10922	10.5
159.08093	1.9
159.11711	45.7
160.12479	3.6
161.09601	7.8
161.13258	8.6
163.11150	3.1
165.06976	4.7
166.07767	3.4
167.08569	9.0
168.09357	6.7
169.10149	32.1
170.10939	10.5
171.11687	34.2
172.12511	6.7
173.09671	3.1
173.11800	1.7
173.13284	30.3
174.14056	2.9
175.14830	22.9
177.12825	6.6
179.08562	10.4
180.09341	4.7
181.10133	17.7
182.10912	7.2
182.63550	1.3
183.11710	30.0
184.12491	7.1
185.13283	28.7
186.14063	6.1
187.14850	14.2
189.12762	5.1
189.16432	1.4
191.14282	12.0
192.09380	2.6
192.15086	2.5
193.10098	8.8
193.15915	1.8
194.10962	8.4
195.11717	19.9
196.12535	9.0
197.13274	26.9
198.13979	8.7
199.14854	10.2
199.79666	1.4
200.15544	1.9
201.12801	3.7
201.16344	6.8
203.14334	3.2
205.15858	1.5
206.10860	3.1
207.11688	12.5
208.12447	4.3
209.13274	28.7
210.14078	3.9
211.14836	19.3
212.15610	1.4
213.12872	1.5
213.16403	7.6
217.10074	2.1
217.15919	7.6
218.16649	1.6
219.11583	2.6
219.17453	2.3
220.12437	3.2
221.13292	8.4
222.14069	2.2
223.14864	13.3
224.15540	5.1
225.12938	1.5
225.16389	8.7
226.17001	2.6
227.14339	2.0
227.17989	2.2
229.15916	1.7
230.16589	1.5
231.17448	3.1
233.13264	3.8
234.14008	2.5
235.14851	7.8
237.16391	9.4
238.17253	2.2
239.17958	7.4
241.15831	1.7
241.19521	4.0
243.17313	1.7
245.13403	2.4
245.18880	1.7
247.14833	3.7
248.15602	1.6
249.16393	4.8
251.17989	2.4
252.18611	1.3
255.17329	2.3
255.59628	1.3
257.19006	3.3
259.14944	2.5
259.20602	3.8
261.16336	3.4
263.17944	5.0
265.19379	3.3
267.21252	2.5
269.18948	1.5
270.19879	1.5
272.21521	2.6
273.16354	1.5
275.17883	3.6
277.19510	3.1
279.20905	1.5
283.20642	3.0
285.22043	3.1
289.19412	2.0
297.22150	3.6
305.22592	2.3
311.18292	1.3
323.23822	8.6
324.24396	1.8
337.25320	3.2
338.26071	51.3
339.26642	1.4
349.25433	1.5
350.25833	1.5
351.27057	1.8
362.25812	2.4
415.29904	2.8
420.30399	3.1
430.32391	15.1
476.36481	15.3
531.47156	1.6
568.42871	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.8
55.01862	4.5
55.05268	1.7
55.05517	26.4
57.03445	7.5
59.04992	2.3
62.20669	1.3
65.03929	4.9
67.05512	100.0
69.03440	19.1
69.06738	1.4
69.07075	15.3
71.01353	1.7
71.04993	7.0
71.51215	1.7
72.28563	1.2
74.16046	1.1
79.05074	2.1
79.05502	30.5
81.03428	65.4
81.07066	54.4
82.17905	1.2
83.04990	15.4
83.08635	18.0
85.02901	6.9
85.06541	5.3
91.05487	28.9
93.06480	2.4
93.07056	40.4
95.04992	8.2
95.08612	19.0
97.02911	12.5
97.06567	6.6
97.10176	8.8
97.65854	1.3
99.04461	5.7
99.08088	1.5
105.04507	1.4
105.07031	11.9
106.53133	1.3
107.04982	5.5
107.08601	18.7
109.02893	15.5
109.06511	3.4
109.10170	51.1
111.04440	10.6
111.08080	5.6
115.05466	1.8
117.07001	8.0
119.08615	11.4
121.06493	3.2
121.10156	13.1
123.04414	2.2
123.11735	2.0
125.09654	7.7
127.03928	11.9
129.07014	4.6
131.08582	11.5
133.06511	1.6
133.10168	8.4
135.08063	3.8
135.11717	6.8
137.09621	3.7
139.11230	2.4
142.07730	1.8
143.08563	2.6
145.06482	2.6
145.10147	4.5
147.04207	1.3
147.11678	4.1
149.09662	1.9
149.13268	13.3
151.11142	1.6
155.10692	3.9
157.10138	2.0
159.11696	6.4
171.10201	2.0
171.11699	2.6
173.04449	1.6
173.11765	16.0
177.12776	5.1
183.06552	1.9
184.07434	1.5
189.11263	7.6
195.12061	1.6
195.13835	8.4
217.33559	1.3
219.13928	1.5
227.12840	4.6
229.14383	8.7
237.14906	1.4
245.13835	2.1
257.15454	1.5
261.14832	2.5
269.17630	4.2
270.76410	1.2
299.14865	8.3
303.15891	3.8
303.23544	1.5
321.16718	2.3
331.22476	1.6
339.18137	5.7
355.17508	5.7
371.16666	1.3
377.19293	1.6
383.40710	1.5
395.20673	2.5
423.27469	10.8
531.29364	1.9
549.30548	5.4
567.31604	89.0
568.32410	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	566.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.4
55.05520	35.0
55.47211	6.7
57.03434	13.7
61.02932	9.9
67.05495	23.0
69.03415	29.2
69.07059	12.1
70.06599	11.7
71.04987	23.4
73.02902	13.0
73.06563	8.9
79.00800	6.1
79.05490	28.2
81.03403	7.1
81.07069	72.2
83.04980	20.2
83.08614	10.5
84.04507	11.1
85.02913	47.0
86.09698	8.3
91.05477	26.6
93.07052	75.8
95.04972	41.4
95.08626	53.5
96.05290	9.0
97.02876	22.1
97.06535	15.7
99.08076	11.0
100.11259	24.4
105.07051	64.0
107.08606	59.9
109.06503	14.7
109.10165	48.9
111.08069	14.9
117.07017	8.3
119.08575	54.8
121.06528	7.5
121.10155	100.0
123.08054	9.0
123.11694	7.5
125.09640	20.3
127.03915	12.2
131.08563	26.9
133.04996	15.6
133.10138	56.7
135.11687	27.4
136.07576	6.9
139.11121	8.9
143.10680	32.6
145.04945	15.6
145.10141	58.1
147.11687	22.8
148.06062	7.9
149.13312	13.3
151.11237	7.3
153.01793	17.3
159.11665	42.7
161.13254	21.0
163.11172	12.4
173.13228	14.7
177.12732	15.3
177.16211	7.8
182.15492	10.3
184.07471	9.3
191.17911	13.7
201.16412	80.4
210.14920	12.8
213.85629	7.6
219.17438	97.4
237.18506	35.6
271.12531	8.2
288.06143	7.9
292.19479	7.1
337.21381	9.5
566.42365	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	566.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87226	1.2
53.03937	2.5
53.76734	1.2
55.01877	1.3
55.05515	1.5
57.03428	1.0
58.12140	1.0
60.13224	1.0
61.02923	1.1
67.05503	1.5
69.03436	7.5
70.06567	1.3
70.76179	1.8
70.76513	1.6
71.04997	9.9
73.02914	1.5
79.05509	6.1
81.03419	2.4
81.07060	21.9
83.04975	1.3
85.02907	13.3
85.06544	2.4
91.05493	12.2
93.07047	18.7
95.04961	2.3
95.08611	3.5
97.02900	13.4
99.04459	29.2
105.07033	37.1
107.04965	2.9
107.08602	12.6
109.06516	4.0
111.08083	11.1
117.07039	1.2
119.08595	4.9
121.06513	4.3
123.08080	2.4
125.05968	2.3
127.03938	4.5
128.06248	2.5
133.06512	5.3
133.10133	55.8
135.11670	2.0
137.05972	6.8
143.08580	6.1
143.14363	1.2
145.04994	5.8
145.10135	3.5
146.07283	2.7
147.08061	1.2
151.07532	2.4
151.11201	3.6
153.01826	2.2
161.09625	61.5
163.06018	2.9
163.11203	15.9
167.07069	1.1
171.08105	1.8
179.10669	25.2
189.09103	21.4
207.10167	17.7
225.11215	100.0
354.29959	1.3
387.80130	1.2
402.14026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84158	2.8
53.00271	2.8
53.03946	4.4
55.01859	8.2
55.05518	31.2
57.03428	8.6
57.07086	17.5
59.05003	3.2
61.50579	3.0
63.63995	2.8
67.05180	4.9
67.05507	65.5
68.05797	3.0
69.03433	4.4
69.07077	35.6
71.04982	6.0
71.08632	7.9
71.51113	2.8
79.05501	36.4
81.03428	12.0
81.07064	70.0
82.07398	3.7
83.04980	8.5
83.08623	23.9
85.02863	3.1
85.06554	4.8
85.10184	3.9
91.05494	29.8
93.07042	49.5
95.04967	12.7
95.08060	4.9
95.08617	57.4
97.02900	3.4
97.06544	8.9
97.10165	13.4
99.04468	3.3
99.08097	4.4
105.07047	36.4
107.04961	8.1
107.08604	40.4
109.06545	4.2
109.10168	31.7
111.04418	4.6
111.08080	5.4
111.11755	4.6
115.05482	3.2
117.07030	11.7
119.08574	32.7
121.06472	5.2
121.10143	42.1
123.04446	5.8
123.08077	7.9
125.09616	9.1
128.06252	5.9
129.07007	5.8
130.07816	3.4
131.08575	17.5
131.22995	3.7
133.10126	25.2
134.64935	3.1
135.08104	3.2
135.11711	31.1
137.09616	4.3
142.07787	8.7
143.08545	12.9
144.09363	3.6
145.10127	26.1
147.08034	10.0
147.11664	8.4
149.09622	6.2
151.07533	3.6
155.08614	4.8
156.09348	7.7
157.10168	19.7
159.11729	15.6
161.09660	3.0
161.13243	5.2
163.11212	23.9
165.09123	16.5
167.10681	7.5
169.10143	7.1
170.10950	4.0
171.11728	9.6
173.09663	4.5
173.13254	5.6
175.14835	6.2
179.08604	3.6
181.10124	8.6
181.12230	5.2
183.11737	9.2
185.13310	9.8
187.14833	5.6
193.10197	3.7
195.11684	9.0
197.13289	8.3
203.14424	3.8
207.11723	6.1
209.13304	9.7
213.16489	4.2
221.13356	5.8
221.15405	25.0
223.14862	3.3
225.16338	4.7
227.12746	31.9
233.15453	3.7
235.14984	3.8
245.13737	3.6
253.19611	4.9
282.28009	4.8
283.15448	12.6
309.16751	4.4
310.31067	3.9
339.28998	16.4
385.28815	5.6
389.82468	3.8
529.38550	4.6
547.39899	31.9
565.24365	6.6
565.40521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.9
55.01870	25.9
55.05267	3.8
55.05514	52.0
57.03435	21.5
57.07079	40.6
65.03922	6.6
67.05508	100.0
69.03426	7.5
69.07077	44.9
71.01353	3.8
71.04977	9.2
71.08636	30.7
73.02924	2.6
79.05070	4.1
79.05498	54.9
81.03430	34.2
81.07060	83.6
82.04160	4.3
83.04978	15.4
83.08625	31.9
85.06529	5.1
85.10194	14.0
91.05487	44.1
93.07048	57.2
95.04977	66.9
95.08617	67.7
97.06523	11.1
97.10175	30.4
98.07293	3.7
105.07051	39.9
107.04966	15.4
107.08601	32.0
109.02856	12.7
109.06525	8.9
109.10162	35.4
111.04459	3.9
111.08080	9.1
111.11701	3.5
117.07021	14.6
119.08588	28.4
121.06494	5.6
121.10142	34.1
123.04434	68.4
123.08056	8.8
123.11688	10.8
125.09625	9.3
127.11129	5.5
129.07019	15.7
129.70163	2.9
131.08578	15.3
133.10130	19.1
135.08087	5.4
135.11691	23.8
137.13237	3.9
141.06963	3.1
143.08522	8.2
145.06468	6.7
145.10135	23.4
147.08052	8.0
147.11690	12.2
149.06006	3.8
149.09604	4.7
149.13287	4.5
151.11160	3.0
151.14674	2.8
153.09114	6.8
155.08582	6.4
156.09306	3.2
157.10114	9.0
159.07980	2.8
159.11691	6.2
161.09598	3.5
163.11212	16.2
167.10614	6.2
169.10170	7.2
171.06541	8.4
171.11717	14.2
173.09647	6.5
173.13263	5.8
175.14792	5.1
181.10179	4.3
188.93079	2.6
189.12758	12.2
191.10733	8.5
193.12305	4.5
195.11708	3.9
197.13200	3.7
199.11188	5.0
207.13715	15.4
209.11678	5.0
209.13400	3.2
217.12279	8.4
221.13203	3.5
227.12779	4.5
235.13297	84.8
239.23607	3.6
249.16594	3.4
255.15919	5.9
257.24612	4.9
263.47665	3.1
265.25208	9.1
305.22336	2.9
309.17001	52.8
313.27423	72.3
393.29919	10.7
421.33206	4.5
455.34857	3.9
473.35684	4.3
547.40015	57.7
565.40894	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.7
55.05501	15.9
57.07072	12.5
67.05511	46.1
69.07087	26.2
70.10886	18.3
71.08609	5.8
74.76575	4.1
79.05491	30.8
81.07063	38.1
83.08616	16.1
91.05477	36.0
93.07043	48.0
95.04967	8.1
95.08620	52.4
103.92959	4.3
105.07034	89.6
107.08602	46.3
107.13872	4.8
109.10160	62.9
112.83028	4.0
117.07034	20.9
117.59974	4.6
119.08587	100.0
121.10147	60.8
123.08048	7.5
123.11665	12.1
128.06250	10.4
129.07011	13.0
130.07771	9.2
131.08574	35.0
133.10115	56.9
135.08075	7.3
135.11708	40.0
141.06990	8.0
142.07764	23.0
143.08568	35.4
145.10130	59.2
147.08066	6.9
147.11731	23.0
149.13254	5.1
154.07822	5.2
155.08560	18.4
156.09315	13.9
157.10130	59.3
159.08032	7.4
159.11665	29.7
161.13278	10.7
165.06897	9.2
167.08524	11.2
167.10660	8.7
168.09290	7.5
169.10144	28.5
171.11684	29.9
173.09651	10.9
173.13248	22.3
175.11209	7.1
175.14862	35.0
179.08527	9.1
180.09300	7.5
181.10112	19.6
182.10820	9.7
183.11757	31.8
184.12465	5.3
185.09627	5.4
185.13214	12.3
187.14830	13.4
191.08713	5.0
193.10178	16.8
195.11679	18.5
197.13200	27.3
199.11220	12.1
201.16365	8.3
203.14310	4.7
207.11687	13.3
207.13815	4.6
208.12479	7.0
209.13312	15.1
210.13954	5.4
211.14862	9.2
213.12801	6.7
213.16417	11.1
215.14342	7.1
219.11652	5.9
221.13309	9.5
223.11360	5.2
223.14819	16.0
225.12764	7.7
229.10284	5.1
231.11673	5.6
232.12558	7.3
233.13174	7.8
235.14842	5.6
237.16309	6.3
239.14371	5.4
239.17961	7.5
247.14700	6.3
249.16460	5.9
263.18018	6.2
273.18610	25.5
275.17404	4.7
279.21140	5.7
282.27765	8.0
299.14297	5.0
299.20193	41.8
310.30960	11.2
366.80997	4.8
423.70883	6.0
473.34167	10.5
495.89047	4.8
565.40417	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75859	3.2
53.03948	4.7
55.05518	25.8
57.03434	7.9
57.07069	13.7
65.03954	2.9
67.05511	64.7
68.05846	3.4
69.02973	3.0
69.07072	39.6
70.76219	9.0
71.04983	14.3
71.08607	5.0
79.05501	38.3
81.07062	68.9
82.07384	4.7
83.04981	5.5
83.08645	18.3
91.05490	43.7
92.05801	3.4
93.06481	5.1
93.07047	66.2
95.04992	6.0
95.08614	58.0
97.06542	4.5
97.10153	5.3
103.05460	4.5
105.06389	5.4
105.07043	59.8
107.08607	58.6
109.06516	4.2
109.10173	55.1
117.07021	19.0
119.08589	100.0
121.10151	60.3
121.10949	6.5
123.08074	7.6
123.11709	9.8
128.06200	7.7
129.07024	8.4
130.07848	4.2
131.08585	35.1
133.10149	54.3
135.08055	7.1
135.11710	40.0
137.13251	4.7
141.07050	4.1
142.07802	14.0
143.08571	33.6
144.09351	5.0
145.10121	51.6
147.11671	22.4
149.09619	6.1
149.13260	13.0
150.13524	3.3
151.11157	3.0
154.07913	3.4
155.08562	12.5
156.09334	14.3
157.10129	47.3
159.08072	7.0
159.11703	27.8
161.09608	3.9
161.13306	4.9
167.08571	6.4
167.10699	11.6
168.09323	5.0
169.10150	18.1
171.11688	25.1
173.09619	5.5
173.13312	20.5
175.14836	36.1
177.12730	9.7
179.08620	8.7
180.09326	5.5
181.10130	14.5
182.10893	8.7
183.11688	21.9
183.13693	3.5
185.09660	3.2
185.13319	10.4
187.11226	3.9
187.14828	9.8
187.68120	3.3
189.16270	3.8
191.08566	3.8
191.67368	2.7
193.10228	6.4
194.10980	3.1
195.11725	16.4
195.13731	4.7
196.12405	4.7
197.09583	3.7
197.13277	31.4
199.11160	9.2
199.14745	5.9
201.16487	5.9
206.10748	6.5
207.11690	10.6
208.12422	5.0
209.13261	14.9
211.11111	4.9
211.14838	11.8
213.12788	4.1
213.16429	9.6
215.14351	5.1
219.11691	4.4
220.12399	3.6
221.13245	13.8
223.14796	12.3
225.12766	7.3
232.12442	4.3
233.13324	6.4
235.14864	7.4
237.12773	4.5
237.16437	3.9
239.17992	6.3
245.13322	4.7
247.15007	6.1
249.16231	6.2
253.19633	3.3
259.14810	5.3
261.16437	4.0
261.22235	3.8
263.17877	4.1
269.17487	12.6
270.17841	6.2
273.18579	30.1
279.21133	7.5
282.28064	3.9
285.16382	5.7
299.20197	44.0
307.14484	3.6
310.30960	4.5
335.25928	6.0
336.26251	13.1
350.59329	3.9
351.22906	3.6
376.33051	3.1
386.14053	3.1
406.99799	3.5
411.21075	3.3
467.37192	11.8
473.34030	10.5
501.38232	3.5
521.42133	4.4
530.39270	20.6
547.39551	7.2
565.39600	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54849	7.9
84.33923	1.1
85.02892	1.6
90.78585	1.4
91.05482	1.4
111.52022	1.1
115.05468	3.0
117.07031	2.1
118.06544	21.8
132.08089	3.8
142.06546	3.2
143.07336	3.3
144.08119	12.0
146.06013	66.4
147.06416	1.3
159.09209	5.2
170.06029	4.2
188.07077	100.0
205.09731	34.1
206.10028	1.4
237.02861	1.3
240.62585	1.5
250.61868	1.3
292.64459	1.1
383.49805	1.3
394.67480	1.2
457.81329	1.2
565.16779	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	565.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18526	1.0
53.02571	1.0
55.05501	4.1
57.07054	1.7
64.97733	1.0
67.05504	5.4
69.07078	2.5
79.05486	5.0
81.07077	6.1
81.69163	1.0
83.04990	1.6
83.08612	1.2
91.05480	4.2
93.07048	4.9
95.08602	4.0
97.10145	1.3
105.07042	6.1
107.08580	4.4
109.06507	1.3
109.10152	3.1
111.04455	1.4
119.08566	7.1
121.10172	2.6
123.08109	1.0
131.08591	2.8
133.10149	5.0
135.11731	2.7
138.54695	1.0
145.10153	5.6
147.11678	1.9
151.30019	0.9
157.10071	2.5
159.11685	2.6
163.11185	1.3
165.09084	1.9
169.10159	2.1
171.11639	1.7
173.13249	2.5
183.11682	2.3
187.14879	1.5
193.10234	1.6
193.12120	1.5
201.16335	1.4
203.14317	1.3
209.13286	2.0
219.11469	1.1
221.15361	2.3
282.28070	1.1
283.15585	1.4
310.31015	1.8
376.17044	1.2
377.17758	1.9
378.18396	1.9
379.19171	2.8
390.17969	1.3
391.19427	2.7
392.16214	1.8
393.20734	3.3
404.20419	1.6
405.12564	1.2
405.20798	3.1
406.17630	2.6
407.17944	2.0
407.22430	3.8
415.19211	1.2
419.22763	2.2
420.15390	2.4
421.20236	9.5
421.24594	1.1
433.16547	3.0
434.17404	2.9
434.24603	1.4
435.17609	12.5
436.22733	16.6
444.22995	1.7
447.21939	3.4
448.18930	3.5
449.19449	17.7
452.21570	1.7
462.20972	1.1
463.21375	6.5
464.21722	3.5
473.33994	2.7
475.20691	8.5
477.22980	4.5
491.24564	1.8
492.21646	23.4
493.26297	1.9
503.24164	3.0
508.20993	3.8
509.25537	9.6
519.24146	3.5
521.25427	5.0
522.22308	1.3
533.25293	1.4
537.25049	34.8
547.39624	1.6
565.24420	100.0
565.40527	8.5
566.24921	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	565.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.6
53.03948	8.2
55.01875	7.2
55.05510	26.7
57.03442	9.6
59.04984	4.1
65.03929	6.6
67.05507	100.0
68.59180	1.2
69.03427	11.8
69.07078	11.4
70.19216	1.3
71.01332	1.6
71.04981	5.1
71.51904	1.3
79.05495	31.2
81.03422	56.8
81.06589	2.3
81.07053	39.3
83.04564	1.4
83.04980	9.5
83.08630	17.3
83.91748	1.8
85.02901	12.7
85.06564	2.5
86.26810	1.2
91.05485	41.0
93.07042	20.9
95.04970	30.8
95.08620	12.9
97.02898	12.1
97.06525	4.0
97.10169	11.7
99.04440	2.7
99.08056	2.4
102.27007	1.6
103.05457	4.9
105.04493	1.8
105.07028	22.9
107.04955	13.1
107.08601	16.7
109.02885	23.8
109.06544	7.1
109.10161	56.4
111.04428	8.9
111.08074	6.2
111.45082	1.2
113.06044	2.8
115.05453	3.6
117.06979	8.5
119.04945	3.8
119.08578	19.9
121.02877	3.3
121.06515	9.8
121.10144	8.3
123.04442	7.2
123.08041	3.6
123.11714	2.3
125.02357	6.1
125.09602	9.6
127.03883	8.1
128.06224	3.8
129.06999	10.5
131.04950	8.0
131.08556	13.5
133.06525	6.7
133.10136	12.2
134.75912	1.5
135.04430	1.4
135.08046	5.8
135.11688	4.3
137.02328	2.3
137.05989	4.1
137.09618	3.6
141.06967	2.4
142.07831	2.1
143.08559	5.9
145.06493	5.7
145.10146	9.4
147.04405	7.5
147.08055	4.1
147.11684	11.5
149.06000	6.9
149.09610	3.9
149.13263	1.8
151.11205	3.4
155.08603	2.0
155.10693	3.4
157.06494	3.2
157.10185	6.3
159.04346	1.4
159.08093	3.3
159.11687	3.2
161.05991	6.8
161.09627	3.6
161.13274	2.2
163.07558	1.9
163.11186	6.6
165.12711	3.0
167.08531	2.6
171.04417	2.0
171.08066	1.9
171.11694	3.4
173.05933	6.4
173.09653	2.4
173.11742	15.7
174.06789	1.5
175.07576	3.4
175.11203	5.6
177.12737	2.0
181.10117	1.9
183.08003	1.8
185.06015	1.6
185.13217	1.9
187.07552	4.0
187.11223	2.0
189.05455	7.2
189.11282	7.1
189.12712	2.4
191.10742	2.6
193.12234	11.6
199.11188	1.9
201.12837	1.8
205.12332	2.8
209.13284	2.2
211.13283	8.8
213.12759	2.2
223.13211	1.8
227.12819	5.2
229.12149	3.0
229.14285	19.6
229.16248	1.7
231.13667	1.4
235.13286	4.2
241.19637	1.4
243.13850	2.1
245.15627	2.3
247.13246	2.8
249.14864	1.8
255.13869	2.4
259.13336	4.4
259.20554	2.6
261.15048	1.9
263.12814	2.8
267.16006	3.6
271.15576	1.8
273.14841	20.7
277.21677	1.8
283.13342	4.3
285.14880	3.3
289.14249	2.7
291.16028	3.3
299.14914	3.0
301.14371	24.6
303.15952	3.9
313.16818	1.9
319.15359	14.7
325.21811	1.4
333.24274	2.2
337.16559	3.2
355.17429	2.2
357.17294	1.8
375.17975	6.2
393.19064	6.7
421.25723	3.9
439.26950	6.6
445.26712	1.4
467.61368	1.7
473.24792	2.1
487.26779	2.0
491.26260	2.3
505.27979	3.2
511.26736	1.4
517.28046	4.8
529.28009	14.8
533.67175	1.4
547.29041	20.0
547.36847	1.9
565.30011	50.2
565.38715	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	564.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27942	3.2
52.76599	3.3
55.05515	23.9
57.03444	19.6
57.07074	7.7
65.03944	7.6
65.80860	4.0
67.05511	91.2
69.06780	3.4
69.07079	33.5
69.20631	5.6
69.21028	28.9
71.04970	6.8
79.05064	5.6
79.05498	59.7
80.16726	3.5
81.07063	100.0
83.04971	4.7
83.08630	23.4
85.06545	4.6
91.05489	43.8
93.07054	90.1
93.60439	3.8
94.23602	3.2
95.04980	7.7
95.08614	50.4
97.06551	11.2
97.10162	3.6
105.07046	32.7
107.08588	38.0
109.06535	3.3
109.10127	16.4
111.08069	7.5
117.07021	13.3
119.08593	26.0
121.06463	5.7
121.10166	38.0
123.11668	6.8
129.07083	4.1
131.08556	21.0
133.10147	13.5
135.11678	14.7
139.11105	4.0
142.07809	3.8
143.08577	4.9
145.10120	13.1
147.11705	8.6
149.13260	43.3
152.53857	3.5
156.09447	3.8
157.10135	10.4
158.16638	3.5
159.11705	21.2
161.13243	4.0
169.10109	3.9
169.63472	3.4
171.11644	4.2
173.13255	7.0
175.11122	11.2
177.12766	30.8
181.10071	4.3
187.49574	3.5
195.11714	4.2
195.13808	11.4
219.11865	3.8
219.13782	22.7
241.12274	5.1
261.22113	6.8
269.17508	91.5
271.13290	4.8
299.20444	4.3
327.19601	10.5
328.50150	3.5
335.22119	5.1
335.25858	76.7
404.78561	3.4
472.31396	3.4
529.38940	92.2
564.39301	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	565.1555
Annotation	Kaempferol 3-xylosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
50.94205	0.4
57.03436	0.6
61.02932	2.1
63.15938	0.4
64.77586	0.5
65.03931	0.5
67.05521	0.5
68.99783	1.0
69.03094	0.4
69.03430	2.7
70.06589	1.0
71.04996	2.3
71.52213	0.7
72.08150	0.6
73.02909	0.9
81.03409	1.9
85.02898	5.7
89.06039	7.0
91.03968	2.3
91.05479	0.5
93.07042	0.6
97.02901	3.4
99.04409	0.7
105.07040	0.7
107.04936	0.9
109.02865	1.3
111.00807	0.6
111.04462	0.4
120.68221	0.4
121.02869	3.3
127.03949	2.6
132.37337	0.4
137.02342	0.9
145.04950	2.5
145.06450	0.4
147.04443	0.6
148.07599	1.0
153.01834	5.7
154.32750	0.4
155.07176	0.4
157.06532	0.5
163.06007	0.8
165.01886	1.5
167.07028	3.4
169.10468	0.5
173.05986	0.7
181.04921	1.1
183.02917	1.2
194.08112	1.4
213.05493	1.6
217.07031	0.6
233.85654	0.5
241.04945	0.9
258.05206	1.5
259.05795	0.5
261.09604	1.0
266.56332	0.4
287.05508	100.0
288.05905	1.1
299.05646	0.7
317.06549	1.4
329.06479	1.1
353.06461	0.9
371.11490	0.5
444.59857	0.6
491.19025	1.5
512.10016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.4
55.05505	23.7
57.03437	15.9
63.00500	5.4
67.05511	75.3
69.03426	14.1
69.07069	33.9
69.76325	16.4
69.76740	18.3
73.02899	6.8
79.05490	56.1
81.03424	36.3
81.07056	74.3
83.04991	11.3
83.08624	14.7
85.02912	10.5
85.06545	7.6
91.05477	45.7
93.07054	64.6
95.04980	11.8
95.08617	31.4
97.06535	26.6
97.10175	12.4
105.07021	32.5
107.04945	14.0
107.08617	50.3
109.02874	7.2
109.06516	13.5
109.10175	24.2
113.06016	6.2
115.56849	6.2
117.07002	20.7
119.08600	30.5
121.06534	9.8
121.10175	16.7
123.11742	5.7
125.09631	11.4
131.08565	29.5
133.10124	30.0
135.08022	7.6
135.11714	27.1
145.10155	19.2
147.11682	10.8
149.09647	10.7
149.13275	26.2
159.11707	28.7
163.11208	14.0
173.13264	8.4
177.12794	27.4
204.19576	6.4
227.12735	5.9
255.15936	49.3
257.19000	9.7
269.17496	100.0
269.20230	10.1
275.20145	25.1
349.23755	62.7
367.24753	22.9
396.08557	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	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.9
53.84801	2.3
55.01868	5.0
55.05515	14.8
57.03440	14.3
61.02941	4.2
67.05179	4.3
67.05508	50.2
69.03437	5.6
69.07082	20.8
70.32240	10.7
79.05495	34.8
81.03414	11.3
81.07064	52.8
83.04989	8.6
83.08649	14.2
85.02908	4.6
85.06555	7.0
91.05486	31.2
93.07048	44.6
95.04959	6.0
95.08620	26.4
96.36850	3.2
97.02907	6.4
97.06557	14.2
97.10168	2.8
99.08060	3.3
102.23541	2.5
105.07058	22.3
107.04939	4.4
107.08608	26.2
109.02893	3.4
109.06468	2.8
109.10165	9.3
111.08114	4.5
117.07002	8.2
119.08591	16.4
121.10181	15.0
123.08064	4.7
127.03852	3.3
128.06067	2.5
129.07005	2.6
131.08588	18.8
133.10136	12.8
135.08104	3.0
135.11711	16.9
137.09604	3.2
143.08534	3.5
145.10146	9.1
147.11707	5.3
149.09644	3.7
149.13278	15.3
159.11688	21.1
161.13213	3.4
163.11172	5.0
173.13341	4.3
177.12762	22.2
179.14372	5.6
195.13779	8.8
251.16518	5.2
253.14264	3.5
255.15919	37.4
257.19025	4.8
267.16019	3.4
269.17505	100.0
275.20108	16.1
293.15710	3.0
349.23807	36.1
367.24982	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.1
55.01871	5.3
55.05513	31.3
57.03436	9.5
57.07064	8.5
59.99765	2.3
64.04144	2.1
65.03940	4.8
67.05507	86.3
69.07072	31.2
71.04984	4.5
71.08632	33.4
71.51093	3.0
71.51505	2.9
71.94475	2.3
79.05494	70.3
81.03423	13.9
81.07063	99.4
83.04990	12.9
83.08627	26.3
85.02882	4.4
85.06544	5.8
91.05483	54.2
93.07048	100.0
93.07637	5.7
95.04986	18.1
95.08612	48.4
97.06517	15.9
97.10165	8.6
99.08090	22.5
105.07037	32.5
107.04946	8.1
107.08604	52.1
109.06516	5.3
109.10159	18.5
111.08100	6.6
112.69434	2.3
113.09644	4.6
117.07029	12.8
119.08582	23.4
121.06513	3.4
121.10143	31.9
123.08080	4.1
123.11723	5.7
129.07007	4.7
131.08575	14.8
133.10149	18.2
135.11684	31.4
143.08525	3.7
145.10123	8.2
147.11697	10.7
149.13251	25.0
151.11151	12.2
155.08517	2.4
157.10181	3.0
159.11684	12.9
161.13219	12.4
163.11212	7.9
171.11740	4.7
173.13322	3.2
177.12701	5.3
179.14325	86.9
185.13297	3.0
189.12819	2.8
193.12236	6.5
195.13811	11.5
199.14830	2.9
213.94839	2.8
221.15297	3.7
235.16963	3.2
259.20718	5.8
267.15936	2.8
269.17505	49.9
277.21640	63.3
281.17447	3.2
295.22696	6.2
339.29135	5.7
351.25278	18.0
418.71609	2.6
545.38287	83.4
563.26105	5.6
563.43378	11.0
590.79553	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	563.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	14.3
54.23684	3.3
55.05513	47.9
56.02703	3.6
57.03424	10.0
57.07076	9.1
65.03925	4.2
67.05508	100.0
69.07074	49.0
70.18426	14.2
71.04987	15.5
71.08631	9.5
79.05073	5.8
79.05496	78.9
81.03396	11.3
81.07063	92.8
83.04963	14.6
83.08624	27.4
85.06510	3.9
91.05481	73.4
93.07055	85.5
95.04945	18.1
95.08619	55.7
97.06512	10.8
97.10161	12.7
105.07046	48.9
107.04993	4.8
107.08596	27.7
109.06504	5.5
109.10174	24.3
114.99983	3.6
117.06976	9.4
119.08569	20.7
121.10140	22.0
123.08031	6.1
123.11689	9.4
129.07005	12.7
131.08560	6.9
133.10117	19.5
135.11720	7.3
137.13220	3.5
143.08533	9.8
145.10106	14.4
147.11690	35.4
149.13263	9.5
151.11166	4.2
157.10107	4.3
161.13258	11.8
163.14923	4.2
171.11662	23.6
173.13158	5.4
175.14774	3.4
189.12804	8.1
194.43547	3.6
195.13773	3.4
207.13864	24.0
227.13081	3.8
266.24820	3.5
270.26599	3.5
281.17511	45.5
339.28931	58.2
345.99307	4.4
519.40387	6.1
545.42395	65.2
563.25897	11.0
563.41522	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	563.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.6
55.01871	12.6
55.05513	38.5
57.03432	11.2
57.07060	5.1
65.03956	5.4
67.05509	100.0
68.05840	5.5
69.03437	4.7
69.07072	34.4
70.63642	8.7
71.04990	9.8
71.08636	3.7
79.05072	5.1
79.05499	70.7
80.05820	4.8
81.03422	14.5
81.07065	98.3
83.04984	11.5
83.08627	23.2
88.49638	2.6
91.05484	58.8
92.05829	5.1
93.07054	74.0
94.07399	3.2
95.04958	14.4
95.08611	65.0
95.83387	3.3
97.06563	14.5
97.10173	21.4
99.08113	6.7
102.85255	2.8
105.07038	46.6
107.04961	7.7
107.08606	40.3
109.06537	6.9
109.10168	29.8
109.44309	2.8
111.08080	7.2
111.92748	2.8
115.05489	2.8
117.07017	17.8
119.08590	44.1
121.06544	4.2
121.10148	30.6
123.08050	3.9
123.11729	11.8
125.09627	11.5
126.16940	3.5
129.07008	11.6
131.08563	34.6
133.06479	4.0
133.10136	27.1
135.08064	6.4
135.11703	22.6
137.05896	3.3
137.09628	6.3
139.11201	8.7
140.13528	3.2
143.08574	13.2
145.10181	26.3
147.08086	3.4
147.11697	23.2
149.09647	7.4
149.13271	12.5
151.11125	6.3
153.09157	4.3
155.08519	6.9
157.10138	10.6
159.11726	21.4
161.09691	4.3
161.13249	12.6
163.11188	5.1
163.14822	4.1
169.10109	6.1
171.11693	13.6
173.13310	11.5
175.11253	5.2
175.14766	7.3
177.12801	6.0
179.14227	3.5
183.11690	9.3
185.13243	4.5
187.14839	7.1
189.11211	6.0
193.12306	5.7
196.09650	3.5
197.13252	4.2
199.14854	5.1
203.12802	5.8
212.76019	2.9
227.12805	9.3
229.14326	3.9
241.14297	4.2
259.15216	3.3
261.22028	7.3
267.15933	9.0
268.16199	2.9
269.17465	4.3
275.20123	4.7
277.21542	5.3
287.23645	9.0
289.21643	8.9
291.19620	4.2
291.22949	2.9
301.25238	4.0
303.23398	3.7
317.24561	3.8
320.51343	3.2
333.24359	2.7
335.25955	7.3
351.25394	3.1
363.25287	6.4
425.34155	3.5
425.81091	3.5
435.32440	5.2
451.51782	3.0
453.33438	10.5
457.90701	3.3
471.34705	13.1
484.50800	3.4
489.35388	4.3
527.37292	27.6
545.38422	52.9
563.39478	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
55.01868	9.8
55.05261	4.2
55.05512	39.5
56.88139	2.2
57.03438	14.9
57.07079	3.7
65.03937	5.3
67.05508	100.0
69.03439	3.6
69.07067	22.5
69.30710	2.2
71.04992	9.7
71.08618	4.5
71.47988	2.1
79.05492	55.0
81.03426	28.9
81.07062	92.7
83.04980	14.0
83.08622	28.3
85.02917	11.0
85.06544	5.6
91.05480	54.1
93.07050	64.7
95.04974	16.8
95.08607	68.3
97.06535	9.2
97.10168	13.9
99.08111	4.2
105.04542	4.2
105.06394	4.3
105.07038	46.2
107.04961	4.9
107.08598	41.6
109.06498	5.0
109.10163	42.2
111.04460	4.4
111.08109	9.0
113.09702	3.2
117.07044	15.0
119.08592	35.4
121.06535	3.3
121.10150	32.2
123.08094	2.6
123.11697	16.1
125.09632	14.0
128.06122	2.8
129.07056	10.9
131.08574	28.7
133.10129	33.9
135.08064	4.3
135.11687	22.9
136.88046	2.7
137.09627	5.0
137.13304	4.4
138.48674	2.8
139.11174	3.4
141.06989	4.0
142.07732	2.7
143.08546	12.8
145.10124	24.2
145.47067	2.4
147.08060	3.8
147.11694	23.1
149.09624	6.8
149.13268	12.9
151.11156	2.5
153.12749	5.9
155.08578	6.6
157.10109	17.7
159.11708	18.3
161.09686	3.5
161.13287	10.7
163.11189	8.9
163.14893	3.3
165.12735	3.9
167.08487	2.8
169.10141	4.9
171.11703	8.5
173.11972	3.0
173.13188	12.6
175.11197	4.6
175.14850	3.0
181.10187	3.2
181.12277	3.6
183.11725	5.0
185.13226	5.1
189.11211	4.8
191.10716	4.1
193.12233	23.5
195.11832	2.8
197.13295	5.0
199.14729	4.5
211.13269	34.0
211.15012	3.8
227.12776	9.4
229.14320	5.3
243.21104	3.4
245.19000	2.7
261.22116	12.3
267.15930	4.6
267.21228	2.8
277.21509	2.8
279.23102	4.3
285.16934	13.0
285.22086	4.3
301.21786	3.0
303.23184	7.4
317.24731	6.9
326.00974	2.9
335.26105	13.8
359.25836	2.8
371.25662	3.1
417.31412	4.7
435.32617	9.4
440.47998	2.4
453.33841	14.8
471.34894	13.2
487.34033	3.0
509.36560	2.6
527.37427	31.1
545.38354	65.1
563.39392	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	563.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.1
55.01890	6.9
55.05516	35.6
56.00816	2.8
57.03436	8.3
57.07074	3.8
59.05006	2.8
60.86877	2.8
66.47805	2.6
67.05510	100.0
69.03431	5.9
69.07075	21.5
69.27672	18.6
69.28088	7.1
71.04999	8.7
71.08652	3.6
79.05502	58.1
80.89523	2.7
81.03423	31.7
81.07066	99.4
83.05001	15.2
83.08630	26.2
85.02904	6.8
85.06508	3.4
91.05490	49.2
93.07051	67.1
95.04983	19.5
95.08614	60.3
97.06539	11.9
97.10164	18.1
99.08111	4.7
105.07035	55.5
107.04990	6.3
107.08599	46.8
109.06507	5.9
109.10147	30.4
111.04479	7.0
111.08093	10.5
114.99787	2.7
117.07007	19.9
119.08581	44.4
121.10155	31.6
123.08092	4.6
123.11682	14.9
125.09637	11.4
129.07014	12.1
131.08572	29.5
133.10146	33.1
135.08083	4.7
135.11693	17.5
137.09608	4.9
137.13225	4.3
143.08594	8.1
145.10144	21.4
147.11688	21.1
149.09645	5.3
149.13300	12.7
151.11232	7.0
153.12752	3.7
155.08577	7.5
157.10181	9.6
159.11716	15.7
161.09602	3.7
161.13293	10.1
163.11145	7.3
163.14810	4.0
169.10117	5.9
171.10248	4.1
171.11761	10.1
173.11874	4.2
173.13289	16.0
175.11209	7.2
175.15001	3.2
181.10213	3.8
181.12224	3.6
183.11696	4.3
185.13333	7.0
187.14761	7.5
189.11215	9.3
191.10815	3.0
193.12221	19.0
194.42792	3.1
197.13322	3.7
201.16476	4.1
211.13235	25.1
211.14943	3.7
227.12820	9.6
229.14275	5.8
243.21152	3.3
249.97992	3.4
261.22183	13.9
267.15958	4.8
277.21582	5.1
279.22952	3.7
283.15530	4.5
285.16898	13.4
285.22113	3.4
294.78949	3.1
303.23187	10.5
317.24744	5.0
335.25775	19.4
369.69070	2.7
417.30981	3.0
435.32739	10.4
453.33661	14.3
471.34378	9.9
489.35706	3.2
527.37335	25.9
545.38379	66.6
563.39496	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
57.03426	0.9
61.02934	2.8
68.99797	0.4
69.03090	0.4
69.03436	6.0
69.07064	0.5
69.52010	0.3
71.51624	0.6
73.02918	1.5
75.85193	0.3
79.05498	0.5
81.03435	2.8
85.02913	13.2
87.04488	1.5
87.95261	0.3
91.03966	3.0
92.51537	0.3
97.02901	6.0
99.04457	0.9
103.03973	0.3
105.03396	0.4
109.02866	1.6
111.00819	0.9
115.03940	3.4
121.02859	2.8
127.03928	5.3
137.02344	0.7
140.07185	0.3
145.04979	5.2
153.01837	5.5
163.06039	0.6
165.01855	1.8
183.02965	0.8
185.05899	0.4
213.05530	1.5
216.19147	0.4
231.06516	0.7
241.04953	1.5
258.05307	1.7
259.05792	0.4
259.08038	1.5
287.05524	100.0
288.05872	1.5
299.05530	0.9
311.05527	0.5
325.07053	0.4
329.06766	1.9
353.06570	1.2
395.07703	0.8
449.40250	0.4
503.17630	0.4
563.19659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
54.63089	2.3
55.01867	8.4
55.05505	14.7
55.49762	2.3
57.03436	12.3
57.78288	2.3
59.64377	2.7
65.03959	3.1
67.05503	54.4
68.05849	2.8
69.03445	4.1
69.07066	13.5
71.04991	4.4
71.52149	2.8
72.87384	2.6
79.05496	34.8
80.80009	2.3
81.03417	24.8
81.07059	53.4
81.07885	2.3
83.04980	15.6
83.08626	10.1
85.02909	7.2
85.06541	8.2
91.05482	54.6
92.10999	2.5
93.07048	28.0
95.04962	14.9
95.08611	13.9
97.02924	3.5
97.06522	7.2
97.10101	3.5
105.07048	45.6
107.04968	11.2
107.08607	33.6
109.06518	7.4
109.10166	51.8
111.08142	4.0
113.06011	4.8
115.05521	3.1
115.49110	3.1
117.07026	7.2
119.08617	15.0
121.06525	6.0
121.10143	8.2
122.10556	3.2
123.08114	3.9
123.11707	8.9
125.09662	4.9
129.06985	4.0
131.08565	12.4
133.06479	6.5
133.10136	62.0
135.08029	6.3
135.11714	3.8
141.06920	3.5
143.08510	3.9
145.10147	6.6
147.11714	6.8
149.09651	10.4
151.11192	27.1
157.10132	4.8
160.08295	2.6
161.09615	9.2
169.12181	4.0
171.11723	3.5
175.11226	5.3
193.12230	5.4
211.13200	5.5
215.12740	3.6
234.04950	2.6
239.10342	2.8
253.14371	100.0
263.20193	3.5
267.16040	12.5
271.15466	15.1
273.18546	18.6
285.17105	6.2
291.19492	15.6
291.96893	3.0
347.21979	6.0
365.23227	89.6
367.22861	3.3
383.24365	2.6
390.57184	3.5
459.27225	10.8
477.28537	21.3
544.36365	3.5
562.36578	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	562.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.0
55.01867	4.9
55.05507	11.0
57.03440	15.8
57.94986	2.1
67.05508	28.9
69.03405	2.3
69.07056	7.6
69.47902	12.4
71.04982	6.6
72.06705	2.0
79.05502	23.9
81.03424	99.8
81.07063	24.7
83.04969	10.0
83.08620	22.2
85.02914	14.3
85.06522	4.1
91.05489	32.0
93.07031	13.6
95.04976	24.5
95.08612	8.3
97.02879	5.0
97.06546	2.9
97.10155	6.6
98.20803	2.5
104.80092	2.1
105.07037	21.1
107.04955	6.8
107.08585	8.9
109.06528	7.3
109.10129	7.2
111.04456	2.9
111.08079	9.3
117.07049	2.0
119.08582	16.0
121.06507	6.0
121.10128	11.1
123.08047	3.9
125.09595	3.6
129.06985	9.3
131.08580	11.2
133.06516	5.6
133.10130	9.9
137.09618	3.2
142.07716	3.1
145.06479	4.2
147.08018	5.2
147.11664	10.7
149.09631	6.7
152.74557	2.3
157.10158	13.9
165.12802	3.2
172.16982	2.3
175.11192	13.1
193.12254	39.6
211.13338	22.1
255.14018	2.4
267.15948	100.0
285.17035	17.7
349.21417	3.4
367.22781	10.7
385.23465	10.4
403.24548	3.3
412.10257	2.6
433.25781	8.1
441.26358	3.4
459.27448	45.1
477.28531	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
54.89899	1.1
55.01871	2.6
55.05270	1.5
55.05518	18.1
56.64315	1.0
57.03445	4.8
57.07076	3.2
59.05011	1.2
64.11097	1.2
65.03947	1.7
67.05511	48.6
69.03433	1.5
69.07074	18.6
71.04998	17.2
71.08627	4.4
71.51247	1.3
77.03938	1.3
79.05500	36.5
81.03437	3.4
81.07065	50.3
83.04997	4.7
83.08626	9.2
85.06542	3.9
87.36887	1.0
91.05487	34.5
93.07052	35.7
93.07641	1.7
93.95583	1.1
95.04984	5.7
95.08614	27.6
97.06544	4.6
97.10178	4.6
99.08106	3.7
103.05479	2.0
105.04510	1.9
105.07043	28.6
107.04981	2.5
107.08602	22.1
109.06528	3.9
109.10168	12.0
109.91403	1.0
111.08099	2.2
115.05455	1.1
117.07039	11.3
119.08594	20.4
121.06503	2.0
121.10148	17.1
123.08102	3.2
123.11684	6.4
124.38237	1.0
125.09617	2.2
128.06247	1.2
129.07022	8.2
130.07748	1.2
131.08586	24.1
131.48218	1.0
133.10149	18.0
135.11697	9.4
137.09567	1.3
139.11256	1.4
141.07021	2.1
142.07811	1.1
143.08574	8.4
145.10129	17.1
147.08058	1.2
147.11714	8.7
149.09630	2.2
149.13249	5.8
151.11191	3.3
155.08574	4.6
157.10130	8.5
159.11732	11.6
161.13290	5.1
163.11230	3.1
163.14822	1.5
167.08659	1.2
169.10179	4.3
171.11684	6.7
173.09645	2.0
173.13292	7.1
175.14789	3.8
177.12842	1.6
177.16394	1.6
179.14336	1.9
181.10129	1.6
183.11714	3.8
183.13828	1.6
185.13249	6.2
187.13322	1.9
187.14879	4.5
189.11189	1.4
193.10251	1.2
193.12187	1.1
195.11797	2.4
195.13811	1.4
197.13313	3.6
199.14865	4.4
201.16420	3.8
203.17947	1.0
205.12366	1.0
209.13338	1.5
211.14856	3.0
213.16426	2.8
227.12798	4.3
229.19627	1.0
241.19583	1.3
243.21175	1.2
261.22253	2.4
269.17499	1.6
269.22638	1.3
271.20554	1.3
273.22061	1.7
275.20108	3.0
277.21747	2.5
285.22165	2.7
287.23785	3.3
291.23230	1.0
293.21124	8.0
299.23773	1.2
317.24738	2.6
325.25262	1.6
343.26285	2.4
388.49149	1.3
393.33093	1.4
417.30090	1.2
419.33060	3.5
437.34189	10.1
451.32169	2.0
455.35162	2.6
511.37823	3.9
517.38770	2.2
529.38959	100.0
530.39276	3.5
543.36432	5.6
561.40497	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.7
53.03949	6.4
55.01862	3.3
55.05512	28.7
57.03432	3.5
57.07071	3.4
59.05009	1.5
61.02907	1.0
65.03950	5.9
67.05506	87.9
69.03432	1.7
69.07069	23.9
69.43203	6.8
69.43610	2.3
71.04996	51.6
71.08647	2.5
77.03944	1.6
79.05495	68.5
81.03432	2.5
81.07058	100.0
81.90006	1.2
83.04978	13.0
83.08625	11.3
85.06535	7.5
91.05483	70.8
93.07043	64.6
93.07642	2.3
95.04985	8.4
95.08607	41.9
97.06530	11.2
97.10178	4.8
99.08116	3.4
105.04529	3.3
105.07033	41.2
107.04977	1.7
107.07880	2.2
107.08594	36.8
107.09298	1.9
107.49399	1.0
109.06547	3.9
109.10155	20.2
109.10846	1.7
111.08104	4.7
113.09660	1.1
117.07035	10.3
119.08583	16.1
121.06480	1.7
121.10141	24.8
123.08102	2.2
123.11716	18.7
125.09636	3.1
129.07022	2.6
131.08580	15.6
133.10141	32.6
133.11095	2.1
135.08067	1.8
135.11693	19.4
137.13304	1.4
143.08636	2.8
145.10104	9.4
145.10950	0.9
147.08125	1.0
147.11740	7.3
149.09602	1.8
149.13278	11.8
151.11182	12.2
152.99135	1.1
157.10188	2.8
159.11699	15.6
161.09761	1.8
161.13281	5.7
163.11241	2.0
163.14828	1.7
165.12866	2.0
169.10049	1.5
169.12292	2.1
171.11746	3.2
173.13335	4.8
175.14850	1.4
177.12799	3.8
178.83186	1.1
179.14407	2.7
183.12010	2.0
183.13805	16.5
185.13322	3.3
187.13342	1.5
187.14876	2.2
195.13799	6.9
197.13260	1.3
201.14896	1.9
223.13095	1.4
227.16464	1.9
241.19629	1.5
253.18095	2.8
261.22113	5.7
261.92419	1.3
269.17419	2.4
271.20679	1.8
275.20377	1.7
283.15924	1.3
283.19168	3.7
285.17102	4.4
285.22336	1.3
289.21695	1.6
293.21130	6.1
317.24884	1.4
349.27695	1.3
361.27524	2.7
363.25555	3.8
437.34613	2.8
517.38910	24.8
529.39014	19.0
539.18762	1.3
543.37878	1.7
561.25049	4.5
561.41675	68.9
562.41901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	1.1
51.02384	1.7
53.03962	6.4
55.01872	6.6
55.05515	30.1
57.03428	5.7
57.07069	4.0
59.04994	1.7
65.03921	4.2
65.49780	1.4
67.05511	87.5
67.20555	1.2
67.21219	1.3
69.03423	5.5
69.07073	25.4
69.80176	1.1
70.90744	1.3
70.91061	2.7
71.05000	34.2
71.08640	1.7
77.03911	1.7
79.05499	67.5
80.81728	1.2
81.03407	5.3
81.07065	100.0
83.04996	10.7
83.08622	12.5
85.06550	5.6
87.04469	1.8
91.05491	62.2
93.07050	61.4
93.07645	2.7
95.04980	8.6
95.08613	45.6
97.06528	8.5
97.10152	7.3
98.44761	1.3
99.08083	4.6
105.04536	1.8
105.07042	37.0
107.04973	2.5
107.08607	39.1
109.06516	4.9
109.10162	21.9
111.04482	1.5
111.08083	5.4
115.05436	2.2
117.07037	10.8
119.08597	18.8
121.06525	2.6
121.10154	21.7
123.08080	4.3
123.11718	14.6
125.09626	4.6
128.06207	1.8
129.07005	5.7
131.08572	21.4
133.10143	34.7
135.08034	2.4
135.11696	17.8
137.09674	2.0
137.13245	1.2
143.08528	3.9
145.10161	12.7
147.08093	1.3
147.11723	12.5
149.09615	2.5
149.13240	11.1
151.11203	12.2
153.09090	1.5
155.08574	1.6
157.10130	4.3
159.11693	14.3
161.13297	6.8
163.11198	5.2
163.14836	1.8
165.12811	2.5
169.10052	2.4
171.11626	1.8
172.56322	1.2
173.13292	6.6
175.11168	2.1
175.14873	1.8
177.12735	4.1
179.14296	4.5
183.11710	1.9
183.13817	10.5
185.13232	3.0
187.11017	1.7
187.13289	1.6
187.14844	3.9
189.11240	1.5
193.12317	1.6
195.13808	5.9
199.14853	1.4
199.99756	1.3
203.14372	1.3
211.14865	1.5
227.12807	9.5
227.16411	2.0
251.16437	1.1
253.14340	5.3
253.17969	2.0
259.20724	1.3
261.22195	3.4
267.15854	2.8
269.17578	6.6
275.20035	5.6
277.21689	4.2
283.15445	1.8
285.17017	2.3
291.19608	4.4
293.21094	5.2
327.22946	1.6
335.25723	4.5
349.23795	2.1
437.34296	2.4
451.31964	3.0
469.33145	1.9
487.34470	1.5
517.38898	12.5
525.35339	1.3
529.38879	18.2
543.36731	13.9
561.42084	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	561.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.0
55.01866	5.9
55.05512	32.5
57.03446	5.8
57.07065	3.6
59.04994	1.9
65.03944	6.5
65.25986	1.1
67.05508	87.0
69.03424	3.2
69.06727	2.1
69.07072	26.6
71.04996	48.3
71.08638	5.9
79.05495	74.2
81.03420	9.3
81.07061	100.0
83.04987	11.7
83.08620	15.1
85.06551	6.3
87.04478	1.5
87.50533	1.1
91.05485	67.9
93.07048	73.3
95.04969	11.7
95.08611	41.4
95.28663	1.3
97.06526	12.1
97.10178	8.1
99.08096	4.6
103.05470	1.5
105.04553	1.7
105.07038	41.8
107.04959	3.0
107.08598	43.3
109.06516	5.6
109.10154	21.0
111.08079	7.4
115.05452	2.3
115.38771	1.6
117.07015	14.1
119.08588	19.7
121.06496	1.6
121.10140	28.5
123.08083	3.7
123.11720	18.6
125.09679	5.8
128.06204	1.5
129.07004	5.0
131.08578	20.6
133.06573	1.3
133.10138	32.7
133.41173	1.1
135.08081	2.9
135.11699	18.8
137.09647	2.6
141.06956	1.3
142.07761	1.6
143.08563	5.4
145.06441	1.6
145.10135	11.5
147.08054	1.6
147.11691	7.7
149.09630	3.9
149.13275	14.6
150.47453	1.5
151.11191	13.3
155.08578	1.8
157.10144	4.9
159.07999	1.9
159.11720	14.6
161.13260	4.8
163.11179	2.4
165.12720	2.3
169.10185	2.4
171.11682	3.0
173.13300	4.9
175.11263	1.6
175.14819	2.2
177.12740	5.4
179.14322	3.5
183.11731	1.3
183.12251	1.6
183.13834	14.3
185.13263	2.5
187.13335	2.8
187.14854	1.4
189.11256	2.8
193.12328	2.1
195.12206	1.3
195.13820	8.0
199.32397	1.2
213.14868	1.5
227.12726	3.9
229.14542	1.8
243.21049	2.1
257.17392	1.2
259.20605	1.6
261.22092	4.8
267.15942	5.2
269.17410	2.6
275.20044	4.1
277.21686	6.7
283.15411	1.7
283.19052	4.2
285.17026	4.1
285.22110	1.3
293.21094	11.0
314.41638	1.3
315.23141	2.2
317.24866	2.1
333.24203	1.3
361.27328	2.1
363.25314	4.4
365.14450	1.3
517.38971	17.5
525.35468	3.0
529.38745	10.3
543.36731	15.4
561.41986	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
61.01139	3.5
64.40219	1.5
65.03944	3.9
69.03436	3.8
69.22258	3.1
69.22656	14.6
70.06605	2.4
72.04514	5.9
78.03800	11.1
85.02904	7.0
88.02197	2.9
97.02908	2.0
98.20715	3.4
102.03769	17.9
113.05970	2.2
120.04819	2.0
121.02873	98.1
123.04441	2.4
130.08644	1.7
131.06419	10.3
132.04805	12.6
142.08667	3.6
149.07446	90.6
150.05504	7.3
153.01881	5.0
159.05933	2.5
184.09773	1.6
192.06567	19.6
261.12656	17.3
269.09570	100.0
373.09396	2.0
381.14822	28.1
411.37186	1.9
468.51541	1.9
543.19855	2.9
571.10547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88492	0.8
55.01859	0.8
57.07069	0.9
57.67427	0.7
61.01154	3.6
61.02915	0.7
65.03927	2.0
67.05486	1.9
68.52354	0.8
69.03417	2.0
69.07055	0.8
69.68958	3.8
70.06583	1.5
72.04514	6.9
73.02917	1.1
78.03794	10.5
81.03414	1.9
84.08138	1.8
85.02908	3.8
85.06539	1.7
85.49163	0.7
86.09753	0.7
88.02206	2.7
91.05487	0.9
93.07020	1.1
95.04940	1.3
95.08620	1.0
97.02895	2.0
97.06532	2.1
98.20850	1.3
99.05589	1.5
102.03773	18.7
103.02167	0.8
105.07069	0.9
106.85340	0.7
113.06006	1.6
114.03738	2.1
119.08586	1.0
120.04805	2.5
121.02868	90.9
122.03229	0.7
124.07585	1.8
127.03942	1.0
131.06392	12.6
132.04793	12.6
136.81776	0.7
142.08604	4.5
147.04425	1.1
149.07446	85.4
150.05521	5.9
151.07800	0.7
153.01811	2.5
158.54138	0.8
159.05887	2.2
166.08557	0.7
181.22993	0.7
184.09697	2.3
192.06561	22.0
212.80132	0.6
229.12698	0.7
232.14105	1.6
243.11588	1.3
247.02301	1.7
261.12717	17.0
269.09558	100.0
270.09869	1.5
273.04004	1.1
277.03430	0.8
283.10782	1.1
287.05383	1.3
311.05582	0.8
319.12811	1.4
325.07034	1.0
355.08124	1.5
373.09155	3.0
381.10437	1.2
381.14795	35.6
391.13693	7.6
399.06766	2.1
399.11224	6.0
399.27271	1.5
561.17249	3.2
561.32098	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.4
54.81016	2.0
55.01867	8.8
55.05513	37.3
57.03422	9.9
57.07072	4.0
65.03951	4.6
67.05507	100.0
69.03428	4.4
69.06723	3.0
69.07068	28.3
71.01350	3.8
71.04988	11.7
71.08643	2.4
71.51848	2.9
76.91844	2.2
77.11311	2.2
79.05496	64.7
81.03410	11.7
81.07055	78.8
81.07532	4.1
83.04986	16.2
83.08608	17.5
85.02892	2.1
85.06545	4.6
87.04429	2.7
91.04900	3.2
91.05478	59.0
93.07047	66.9
95.04966	15.4
95.08611	43.0
97.02887	3.6
97.06522	12.6
97.09628	1.8
97.10161	13.5
105.07030	40.4
107.04958	8.7
107.08593	41.3
109.06522	5.7
109.09460	3.3
109.10160	33.3
110.82409	1.9
111.08076	5.3
115.05511	2.4
115.92841	2.0
117.07027	21.5
119.08577	27.9
121.06478	4.9
121.10149	30.1
123.08091	8.3
123.11698	6.1
125.09615	13.0
128.06242	3.0
129.07014	10.6
131.08572	24.7
133.10120	28.7
135.08061	3.1
135.11705	21.9
137.09644	8.1
139.11118	2.7
139.55159	2.1
143.08534	8.7
145.06458	2.7
145.10133	26.5
147.08098	4.9
147.11710	14.1
149.09628	3.2
149.13263	12.9
151.11165	9.2
153.12822	5.1
155.08534	3.7
157.10168	7.0
159.08066	4.6
159.11665	14.6
161.13237	7.2
163.09952	3.8
163.11157	16.8
163.14798	2.7
169.10179	6.8
169.12233	2.9
171.11674	8.5
173.09683	3.2
173.11774	5.6
173.13167	5.1
173.17128	2.5
175.14836	4.4
177.12759	5.0
181.10147	2.3
181.12245	5.5
183.11717	5.0
185.13246	6.6
187.14861	4.1
189.11218	4.7
191.10661	2.4
195.11870	2.9
195.13751	4.9
197.13246	3.9
209.11757	7.0
227.12822	8.0
229.14125	4.2
245.13664	2.5
246.95601	2.1
247.20473	2.4
261.22351	3.1
267.15881	2.2
269.17560	3.1
275.20184	11.2
277.21704	2.6
283.15530	2.2
289.21616	3.6
293.21127	5.5
297.22348	2.9
299.23877	3.3
301.00278	2.3
305.21780	2.0
315.23129	8.0
317.24738	2.4
327.23297	4.1
342.55435	2.0
346.39142	2.4
389.26694	2.9
433.31061	4.2
451.32095	6.1
469.33057	5.3
487.34030	4.2
517.34808	2.4
525.35754	4.8
543.36749	36.2
561.25195	24.4
561.37915	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.7
58.76455	0.6
61.02918	1.5
67.05497	1.6
69.03436	5.4
70.49681	1.3
73.02913	1.4
73.04817	0.6
74.47342	0.6
81.03442	0.9
83.04971	1.2
84.08134	0.6
85.02898	6.0
87.04475	1.1
97.02896	2.8
111.08153	0.9
117.02171	0.8
127.03935	1.6
134.04616	6.1
152.05696	1.1
153.01843	1.9
153.09129	1.1
165.02312	5.5
165.62439	0.6
175.09848	1.0
181.05434	1.5
182.04976	100.0
190.03091	0.8
194.05061	3.8
200.09308	1.7
205.05403	3.4
216.04634	2.3
219.07042	1.1
224.05994	1.0
231.07001	12.5
248.07596	0.5
248.09665	25.7
266.10727	52.0
278.06952	0.6
290.07791	0.6
314.09064	0.8
344.10376	0.9
380.13821	1.2
398.14996	9.3
428.16034	44.7
429.16693	0.9
560.20233	25.8
561.20111	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
53.20863	0.8
55.05515	9.4
57.03440	7.0
57.07079	34.7
59.05006	1.9
65.03931	1.5
67.05507	73.5
69.03442	1.6
69.06736	1.0
69.07076	11.1
70.10662	2.3
70.11071	1.8
71.04998	22.6
71.08633	23.1
71.65162	0.8
73.34489	0.8
74.27493	0.8
79.05493	9.4
81.03402	0.8
81.07057	23.1
83.04990	1.9
83.08609	11.7
85.06549	2.1
85.10188	14.0
87.04482	1.5
89.06022	1.4
91.05479	10.7
93.07050	13.5
95.08610	25.2
95.34293	0.8
97.06535	2.6
97.10162	4.0
104.73093	0.8
105.07036	2.2
107.08619	6.5
109.06532	1.1
109.10161	56.7
111.08092	2.7
111.11731	1.2
117.07063	1.1
119.07921	0.9
119.08604	8.4
121.10118	3.1
123.11710	3.8
133.10095	1.0
135.11678	9.1
137.09644	8.7
137.13234	0.9
145.10081	1.7
155.10666	3.1
162.01959	0.8
163.11200	3.2
169.12244	1.1
173.11751	7.7
181.12198	2.3
187.13300	1.7
211.13274	0.9
239.23734	2.5
243.15874	1.7
255.15872	4.0
269.17474	1.2
287.18518	20.6
313.27356	26.6
341.26920	1.1
467.37354	100.0
468.37549	2.4
481.38916	3.7
493.39001	4.6
525.41577	41.4
526.42273	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04081	2.5
50.25810	2.2
53.03940	10.8
55.01873	3.0
55.05513	27.6
56.49584	2.3
57.03445	12.0
57.07073	4.0
65.03934	4.3
67.05509	94.1
69.07079	19.6
71.05001	3.7
77.03915	3.3
78.64769	2.2
79.05499	100.0
81.03410	10.4
81.07062	94.7
83.05001	11.9
83.08614	11.4
91.05489	67.0
93.07049	90.6
94.88392	2.6
95.04976	19.6
95.08612	58.0
97.06506	5.1
97.10161	5.8
98.20743	7.3
105.04529	3.9
105.07033	50.6
107.04955	7.6
107.08610	37.5
109.06531	5.6
109.10188	18.3
111.08114	2.6
115.05473	3.1
117.07024	15.8
119.08594	31.9
121.06501	4.8
121.10149	12.6
123.08064	5.5
123.11720	8.0
128.06219	4.4
129.07033	15.1
131.08565	17.3
133.10158	21.9
135.10799	2.4
135.11685	12.6
141.06982	3.2
143.08568	11.4
145.10159	19.9
147.11702	43.4
149.13263	10.1
150.33363	2.7
155.08548	3.3
157.10147	3.2
159.11719	13.0
160.00797	2.5
161.09592	3.0
161.13277	16.5
163.11166	3.0
171.11708	23.4
173.13290	6.9
175.14772	2.9
175.46622	2.9
179.14444	3.1
182.03059	2.3
183.11783	3.4
187.11313	3.7
187.14891	3.2
189.12743	10.6
207.13774	23.9
230.27887	3.4
259.20499	3.0
261.22110	10.0
279.15878	4.2
281.17422	35.2
317.24890	5.4
335.25830	56.5
449.34442	3.9
467.35229	4.7
470.27991	2.8
493.70630	2.9
541.39001	76.7
559.39655	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	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.5
55.01865	7.7
55.05513	31.7
55.68668	2.5
57.03431	9.4
59.05009	2.6
62.15154	2.8
65.03927	4.7
67.05508	100.0
69.07068	26.1
71.04981	10.5
71.08633	6.2
73.51677	2.3
75.90090	2.4
79.05495	77.2
81.03402	13.3
81.07064	91.5
81.76875	2.7
83.04975	16.4
83.08628	15.3
85.06545	7.2
91.05482	73.8
93.06488	5.0
93.07050	89.9
95.04977	25.6
95.07995	2.9
95.08610	59.5
97.06553	15.0
97.10172	6.6
99.08077	8.0
105.04478	3.1
105.07043	60.8
107.04948	9.7
107.08597	36.5
109.06514	7.0
109.10161	21.0
111.08066	5.1
114.30502	2.5
117.07034	22.1
119.08577	37.3
121.06556	3.1
121.10149	21.6
123.08048	8.2
123.11713	5.6
128.06224	5.8
129.06969	18.3
130.07791	3.7
131.08571	24.6
133.06497	2.7
133.10127	21.6
135.08037	3.0
135.11707	20.8
137.09584	2.8
141.06938	3.7
143.08568	19.0
145.10155	26.4
147.08026	4.2
147.11705	26.7
149.07556	2.6
149.13251	8.3
151.11211	3.5
155.08577	4.8
156.09465	2.7
157.10143	9.7
159.11653	14.0
161.09578	5.9
161.13268	11.4
163.11243	7.3
163.14708	3.3
169.10115	4.3
171.08177	2.7
171.11703	25.9
173.13231	5.9
175.14853	5.3
179.14342	21.1
183.11658	5.0
185.13261	5.5
186.83986	2.6
189.12717	6.9
191.14580	3.1
195.11761	2.9
199.14778	4.2
207.13890	16.5
217.24660	2.7
261.22159	5.7
273.18314	4.9
277.21674	11.8
279.16119	3.7
281.17471	33.8
291.19516	6.1
335.25833	28.1
343.30588	2.9
394.96661	2.8
527.37061	25.7
541.39056	42.1
559.38263	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	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.3
55.01880	19.1
55.05280	4.4
55.05518	56.7
57.03445	14.8
58.19751	3.1
59.04990	3.7
65.03455	2.7
65.03921	10.1
67.05508	90.9
69.03422	4.9
69.07071	37.2
69.26516	30.8
71.04979	9.4
79.05499	90.6
81.03424	75.3
81.07063	100.0
83.04984	20.2
83.08616	32.5
85.02900	17.3
85.06544	7.0
87.06439	3.3
90.43727	3.2
91.05488	92.3
93.07049	61.8
95.04977	43.6
95.08614	41.1
97.06524	22.2
97.10184	25.7
99.08095	3.2
103.05450	6.2
105.04517	3.2
105.07035	85.2
107.04971	21.2
107.08606	53.5
109.06513	23.6
109.10161	28.9
111.04450	4.8
111.08077	12.6
115.05459	8.4
117.07023	30.4
118.60458	3.2
119.08603	51.8
121.06506	12.5
121.10133	24.5
123.08064	11.8
123.11698	10.2
125.09625	20.1
128.06242	6.0
129.06989	21.0
131.08582	43.0
133.06476	8.8
133.10123	31.8
135.08046	11.8
135.11676	9.8
137.09622	5.7
141.06973	8.2
142.07759	11.9
143.08563	18.9
145.06448	9.7
145.10132	38.0
147.08066	6.9
147.11702	37.6
149.09668	23.4
149.13329	4.0
151.11255	5.2
153.09081	4.4
155.08560	12.7
157.10127	26.3
159.08031	6.4
159.11717	19.0
161.09657	7.5
161.13228	6.8
163.11172	14.7
165.12810	3.5
167.08554	3.7
169.10124	14.1
171.11694	12.2
173.09627	7.0
173.13326	7.2
175.11224	14.5
177.12753	4.6
179.14249	4.3
183.11708	8.6
185.13275	3.9
187.11124	7.3
189.11232	13.6
189.12743	4.1
193.12238	39.9
195.11714	6.3
197.13318	4.7
199.14679	4.2
201.16559	3.8
211.13239	26.4
213.12828	3.0
219.13733	4.1
227.12791	14.1
239.17943	4.7
247.20627	5.7
257.19061	15.5
267.15918	30.9
269.55011	3.9
275.20102	65.9
293.21268	5.9
297.22247	6.6
299.20041	10.5
313.21490	5.7
315.23285	6.0
317.21182	4.7
331.22745	4.8
337.21872	3.3
349.23672	13.5
353.25217	3.5
431.29340	6.1
443.28101	3.1
449.30432	13.7
467.31430	10.5
485.32574	7.0
523.34650	3.2
541.35297	58.2
559.36322	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.0
55.01869	9.5
55.05514	36.4
57.03439	6.5
57.07088	1.7
59.04994	2.3
63.69872	1.3
65.03939	2.2
67.05508	67.5
69.03437	10.0
69.07075	39.8
69.07440	1.5
71.04999	4.7
71.08617	2.0
75.59510	1.1
79.05501	42.1
81.03426	9.8
81.07061	72.4
83.04980	7.0
83.07224	1.2
83.08624	16.7
85.06544	4.0
91.05485	37.9
93.07050	47.2
95.04971	11.1
95.08614	22.9
95.09181	2.0
97.02892	11.1
97.06535	9.0
97.10176	12.2
98.20722	2.5
99.08080	2.2
105.04565	2.0
105.07037	24.9
105.07701	2.2
107.04957	8.3
107.08603	34.7
109.06543	5.4
109.10144	12.0
111.04456	1.7
111.08086	7.1
115.05445	1.6
117.07025	15.2
119.08591	16.8
121.06525	2.8
121.10159	12.6
123.08099	4.7
123.11696	4.1
124.36223	1.1
125.09635	10.3
128.06172	1.9
129.07010	5.7
131.08580	17.3
133.06535	2.7
133.10136	15.2
135.08075	6.8
135.11690	7.1
137.09619	4.2
142.07719	1.3
143.08612	5.0
145.06509	1.8
145.10156	8.1
147.08052	6.6
147.11700	5.6
149.09653	5.2
149.13268	16.6
151.11198	3.6
157.10150	3.5
159.08131	2.2
159.11699	12.6
161.09624	4.7
163.11191	3.4
165.09103	1.9
169.10176	2.7
171.10266	2.8
171.11745	4.2
173.09651	1.6
173.13345	1.7
175.11243	3.8
177.12758	4.8
179.14015	1.4
183.11800	1.6
185.13293	3.3
189.11292	3.7
189.12836	1.4
193.12267	2.4
195.11945	2.0
195.13832	6.4
205.12212	2.4
223.13289	18.9
227.12807	4.0
245.18950	3.0
255.17476	1.4
269.17450	1.9
273.18527	17.4
275.20169	3.0
291.19556	100.0
292.20105	1.6
315.23288	3.0
347.22009	1.7
357.95993	1.2
369.54788	1.3
467.31747	2.4
485.32690	3.4
523.34479	2.3
541.35339	8.9
559.36334	80.6
560.36603	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	559.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81400	0.7
53.03941	5.1
55.01878	7.7
55.05515	27.7
57.03446	6.0
57.07072	2.7
65.03939	2.9
67.05509	62.5
69.03438	10.4
69.07074	36.0
69.07462	1.2
69.80068	4.0
71.04990	4.2
71.08640	0.9
77.03905	1.4
78.96918	0.8
79.05498	46.7
81.03433	7.0
81.07062	65.4
83.04981	8.3
83.08627	13.7
85.06544	3.1
91.05486	37.4
93.07050	44.1
95.01335	1.5
95.04977	11.8
95.08611	22.8
97.02890	10.9
97.06535	8.3
97.10179	12.1
99.08083	1.6
103.05452	1.2
105.04507	2.6
105.07040	20.3
107.04970	7.6
107.08598	26.9
109.06521	5.0
109.10174	9.7
111.08069	4.1
115.05459	2.2
117.07018	13.4
119.04988	0.9
119.08587	15.4
121.06530	4.6
121.10146	13.0
123.04453	0.7
123.08093	4.3
123.11694	3.4
125.06026	1.3
125.09641	8.6
126.04922	0.8
128.06230	1.5
129.07013	6.4
130.07816	0.8
131.08572	14.3
133.06480	2.9
133.10144	11.7
135.08076	3.9
135.11696	6.7
137.09610	3.0
139.11221	1.1
141.06938	1.0
142.07793	1.1
143.08566	5.1
145.10112	8.4
147.08066	5.3
147.11667	5.6
149.09608	2.3
149.13271	16.5
151.11217	1.9
151.12395	0.7
153.07068	0.8
153.09152	1.4
153.12784	1.0
155.08559	1.6
157.10172	5.9
159.11713	9.8
161.09651	2.8
161.13203	1.0
163.11194	2.7
165.09120	2.6
167.14337	1.1
167.32256	0.8
169.10098	2.2
169.12260	1.1
171.10292	1.0
171.11707	2.9
173.09531	1.0
173.11784	1.2
173.13240	1.7
175.11211	2.1
177.12772	4.2
181.10118	1.6
183.11736	1.6
185.13254	1.7
187.11282	1.0
189.11221	5.2
189.12767	1.4
193.12253	1.4
195.13806	6.6
197.13354	1.1
199.14821	1.6
200.47223	0.9
203.14261	1.0
205.12285	1.5
211.14952	0.9
213.14688	1.3
213.16524	1.1
223.13292	20.1
227.12776	2.4
231.17342	1.0
233.15474	0.9
245.13463	0.8
245.19005	2.5
249.14951	2.2
255.17514	0.8
263.20316	0.9
269.17493	2.2
273.18521	14.0
275.20251	0.9
277.21692	1.0
291.19556	100.0
292.19647	1.1
297.22183	0.9
315.23343	1.3
321.36389	0.8
347.22028	2.1
355.14993	0.7
365.23343	1.8
541.35529	3.7
559.36218	66.8
560.36658	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	2.5
55.05514	13.5
57.03428	9.4
57.07079	26.3
57.60421	2.0
60.92287	2.2
61.65268	2.0
63.21058	2.3
67.05506	15.6
69.03412	3.6
69.05019	2.3
69.07069	9.6
69.40525	16.9
71.08360	1.8
71.08636	21.3
75.91080	2.2
79.05490	12.7
81.02988	3.6
81.03422	45.0
81.06638	3.6
81.07060	25.1
83.04974	12.4
83.08208	2.4
83.08630	18.7
85.02917	10.6
85.10210	10.8
88.09965	2.3
89.06031	2.6
91.05489	18.8
93.07031	7.5
95.04971	15.7
95.08616	16.5
97.06465	2.2
97.10180	5.7
105.07021	12.0
107.08587	3.9
109.06533	2.4
109.10136	8.4
111.08066	8.6
119.08595	11.5
119.76218	2.5
121.10150	2.7
123.11669	3.5
129.07037	7.8
131.08582	4.3
133.10130	2.7
147.11676	9.9
149.09624	3.6
157.10158	8.2
175.11188	7.0
181.98999	2.7
193.12241	28.7
211.13309	54.2
267.16037	10.7
284.26501	3.3
285.16965	35.7
313.27368	66.5
505.38776	5.0
523.39954	100.0
558.45770	2.9
558.53864	14.5
575.60016	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	559.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39357	2.5
53.03934	10.9
55.01873	20.3
55.05512	52.4
57.03437	12.7
57.07071	2.4
65.03934	4.7
67.05509	79.8
69.03419	10.4
69.07072	30.8
69.15807	25.1
69.16229	8.9
71.04989	8.3
79.03263	2.3
79.05501	75.2
81.03424	69.8
81.06589	5.9
81.07059	100.0
83.04971	11.7
83.08630	33.7
85.02899	6.9
85.06544	4.7
91.05485	66.0
93.07050	51.9
94.04234	3.1
95.04973	36.9
95.05944	2.5
95.08607	35.6
97.02866	3.6
97.06535	16.3
97.10165	31.2
99.08071	3.0
102.70033	2.6
103.05453	5.4
105.07035	67.1
105.35725	2.8
107.04956	18.5
107.08602	45.8
109.06509	14.7
109.10164	27.8
111.08093	13.9
113.24770	2.5
115.05466	6.9
117.07029	27.6
119.08588	49.4
121.06517	12.7
121.10158	22.7
123.08055	6.2
123.11704	12.9
125.09644	27.6
128.06227	5.8
129.07033	21.2
130.07800	4.0
131.08569	36.5
133.06497	8.2
133.10143	31.3
135.08054	11.6
135.11707	11.9
137.09604	5.9
141.07089	3.9
141.09322	3.0
142.07796	4.8
143.08585	14.7
145.06502	10.9
145.10147	30.2
147.08049	9.2
147.11702	27.7
149.09567	17.3
149.13260	3.7
151.11209	7.1
153.09079	5.1
155.08566	8.2
157.10109	18.3
159.08064	7.3
159.11700	19.7
161.09618	8.3
161.13269	7.1
163.11214	10.9
165.12737	3.6
169.10176	7.9
171.10294	4.9
171.11714	12.4
173.09653	5.8
173.13286	10.1
175.11217	12.5
177.12729	5.6
183.11710	7.5
185.09576	3.2
185.13303	6.1
187.11227	8.9
187.14856	3.5
189.11287	12.4
189.12744	4.6
193.12286	24.6
197.13225	6.1
199.14891	4.6
201.12770	4.3
203.14235	3.5
205.12305	3.6
209.13341	3.6
211.13275	8.7
227.12720	15.5
233.15462	4.0
239.17929	3.9
257.18915	13.2
267.15918	27.4
273.18530	5.2
275.20068	56.3
281.19196	3.4
291.19373	2.9
293.21027	6.1
297.22177	6.7
299.20093	17.0
313.21768	4.2
315.19827	3.0
315.23248	9.5
317.21091	10.4
331.22894	3.6
340.72064	3.1
344.83148	2.8
346.10449	3.3
349.23755	16.1
350.91849	3.1
355.22610	3.7
371.25421	3.6
373.23721	6.3
431.29306	6.5
445.06644	3.0
449.30399	11.9
467.31439	19.0
477.28561	3.4
485.32343	10.9
523.33856	5.1
541.35242	59.8
559.36414	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	558.255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61773	5.0
55.86832	4.5
69.03426	9.0
69.42778	35.6
70.06593	100.0
74.84161	4.1
79.05502	5.6
81.03397	7.7
81.07076	7.3
85.02909	21.5
91.05491	16.2
94.84351	4.2
97.02886	5.1
98.21455	9.7
103.05489	9.5
105.07044	20.1
107.04948	52.1
109.02879	8.5
112.07619	93.2
114.43618	4.2
115.05494	7.1
119.04952	29.4
121.06515	6.8
127.03936	4.8
128.15112	4.5
129.07057	7.1
131.04924	10.6
133.02881	13.0
133.06525	13.5
135.08070	11.2
137.06004	76.5
140.07071	55.8
147.02867	4.8
147.04431	32.6
149.05969	19.2
151.07559	24.9
157.06491	5.2
158.08154	10.3
161.05995	62.2
161.09644	11.7
163.07558	61.0
165.05573	4.5
165.09059	6.0
167.07060	6.5
174.06662	6.1
175.07513	11.9
177.05608	4.6
179.07045	19.6
181.08598	15.1
189.09140	30.0
191.07008	9.0
207.10181	73.1
221.09657	4.5
224.18993	5.0
235.56483	4.6
239.07031	15.0
246.82379	4.5
257.08121	10.5
273.11224	10.3
284.11121	4.9
287.12711	6.5
291.12360	6.7
313.14392	9.9
331.15521	27.1
331.18933	4.5
343.15433	11.0
375.12125	5.3
377.22415	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87677	2.3
52.84161	2.0
53.03946	2.9
55.01862	3.4
55.05519	19.4
57.03442	13.2
57.06838	3.2
57.07084	40.8
65.03954	2.0
67.05516	25.3
69.07069	11.0
69.22213	17.0
69.22628	5.4
71.05007	6.2
71.08302	2.2
71.08643	23.5
79.05498	20.5
81.02988	3.6
81.03426	43.4
81.07069	31.4
83.04989	13.5
83.08621	25.5
83.12157	2.2
85.02918	16.0
85.06562	3.2
85.10202	13.1
89.06029	4.6
91.05484	29.9
93.07036	11.3
95.04992	21.2
95.08617	32.6
97.02908	2.3
97.06523	3.6
97.10154	6.4
105.07052	17.4
107.04939	7.6
107.08584	8.3
109.06484	5.5
109.10163	11.0
110.30959	2.3
111.04401	3.0
111.08076	8.7
113.06001	2.9
119.08562	14.2
121.06554	2.3
121.10124	5.6
123.11723	5.2
129.06995	8.8
130.32455	2.4
131.08534	11.0
133.10114	10.4
137.21439	2.4
142.07823	2.4
145.10213	2.6
147.08051	3.5
147.11722	12.0
149.09633	4.4
150.89476	2.5
155.78926	2.5
157.10155	12.9
175.11212	8.5
193.12267	42.3
211.13318	60.6
239.23631	3.4
267.16016	17.7
284.26691	6.0
285.16971	72.9
313.23663	4.8
313.27374	100.0
387.53384	2.4
500.23569	3.0
505.38611	12.0
523.39996	62.8
558.53491	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	557.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.1
55.01876	10.6
55.05268	2.8
55.05515	31.1
57.03437	7.4
57.07066	5.1
64.35220	2.4
65.03939	3.8
67.05511	67.4
68.05842	2.1
69.03439	3.6
69.06799	2.0
69.07082	27.1
71.04996	3.3
79.05494	66.3
81.03410	9.2
81.07059	61.7
83.04984	10.6
83.08609	15.1
85.06558	4.2
91.05492	67.4
93.07050	64.0
94.07384	2.2
95.04987	11.1
95.08615	42.6
96.50462	2.0
97.06551	11.9
97.10162	8.0
99.08086	4.9
103.05476	2.5
105.07037	60.3
107.04955	12.2
107.08601	31.6
109.06512	9.2
109.10167	16.3
111.04464	2.0
111.08101	6.3
111.38297	2.5
115.05457	4.6
117.07042	24.7
119.08589	40.9
119.09380	4.0
121.06565	5.6
121.10150	15.9
123.08071	8.1
125.09643	6.1
127.55075	2.4
128.06215	7.5
129.07022	21.4
130.07814	2.0
131.08580	43.1
132.78145	1.9
133.06451	3.0
133.10138	31.5
135.08063	6.1
135.11705	20.8
137.09625	2.7
141.06989	10.8
142.07765	7.3
143.08571	27.8
144.09309	2.7
145.06494	4.6
145.10133	38.4
147.08043	3.5
147.11696	29.0
149.09616	6.9
149.13266	5.5
153.07050	2.9
154.07820	2.5
155.08565	22.0
157.10118	27.7
159.08055	3.8
159.11697	21.2
161.09605	4.4
161.13257	14.1
163.11189	17.3
167.08627	8.3
169.10126	24.8
171.08003	2.4
171.11690	24.6
173.09634	4.9
173.13271	13.2
175.11192	4.1
175.14789	5.2
177.12868	3.6
179.14380	4.9
181.10141	12.5
181.12260	4.3
183.11700	19.3
185.09511	2.5
185.13229	13.2
187.11169	4.2
187.14899	5.9
189.11235	2.2
189.12744	2.3
193.10335	5.1
195.11757	12.1
195.13414	2.4
197.13301	14.8
199.14877	13.5
201.16502	3.2
207.11739	4.3
207.13824	6.0
209.13313	9.4
211.14877	8.5
213.16420	10.6
221.13205	4.2
223.15002	4.1
225.16344	4.8
227.12785	17.4
231.21101	2.9
233.13231	3.0
234.91075	2.0
235.14845	2.7
237.16370	4.5
239.17937	5.6
241.19598	4.6
247.14606	2.8
247.16917	4.9
255.17415	2.6
257.18988	6.7
259.20529	11.1
271.16965	3.7
273.18707	3.5
275.20169	19.8
279.15881	3.8
281.17310	5.7
285.21918	2.4
287.19995	2.3
295.20456	2.3
297.21719	2.7
299.23743	3.5
313.21655	2.6
315.23306	3.0
321.22198	2.2
333.24274	3.6
333.76337	2.2
335.23935	3.1
349.25403	4.4
353.24799	4.1
379.26343	3.0
419.32977	5.1
429.31549	6.1
437.34189	10.0
447.32669	29.9
465.33881	30.8
483.35132	15.8
501.35837	2.9
521.36285	8.7
529.38861	8.9
539.37433	100.0
557.38849	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	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.1
55.01867	4.3
55.05510	22.0
57.03423	6.6
57.07070	4.1
59.21683	1.5
65.03938	3.1
67.05506	40.4
69.03416	1.8
69.07072	15.9
70.63426	3.3
70.63776	2.2
71.04977	3.4
79.05071	2.9
79.05497	38.0
81.03417	4.1
81.07063	46.3
83.04971	6.8
83.08617	11.3
85.06552	2.7
91.05491	35.9
93.06475	3.2
93.07043	36.3
95.04959	6.5
95.08058	2.5
95.08613	27.2
97.06527	5.1
97.10153	5.3
105.07036	33.9
106.14830	1.6
107.04948	4.9
107.08620	15.9
109.06518	3.6
109.10168	10.5
111.08085	2.5
116.06276	1.9
117.07014	17.8
119.08582	30.9
121.06509	4.6
121.10175	10.1
123.08086	3.8
123.11703	3.3
125.09627	2.2
128.06204	5.7
129.06998	18.4
131.08582	28.6
133.10120	16.4
135.08101	3.0
135.11699	9.3
137.09586	2.7
141.07004	6.8
142.07803	4.2
143.08572	25.3
145.06487	1.8
145.10129	25.6
147.08075	2.5
147.11673	13.1
149.09608	3.1
149.13293	4.0
153.07001	2.0
154.07811	2.1
155.08556	17.2
156.09419	2.5
157.06595	1.8
157.10121	19.9
159.08026	2.0
159.11713	17.5
161.13257	9.8
163.11208	1.9
165.07060	2.5
166.07735	1.9
167.08582	8.1
168.09370	2.3
169.10127	19.4
171.08043	2.3
171.11711	20.2
173.13258	10.9
173.46364	1.6
175.11143	2.6
175.14734	3.6
177.12798	1.8
178.07906	1.7
179.08606	4.4
181.10117	10.1
182.10866	2.4
183.11702	18.5
185.13260	15.8
187.11148	3.6
187.14851	3.8
189.12772	2.9
193.10181	4.5
195.11713	10.3
197.13252	11.1
199.14857	5.5
201.12784	1.9
205.10223	2.1
207.11769	2.9
207.13820	4.5
208.73985	1.7
209.13235	7.1
211.14859	8.8
213.12936	1.7
213.16351	8.9
219.76141	1.6
221.13293	3.4
223.14873	5.2
225.16455	2.3
235.14833	4.0
237.16396	3.2
241.19525	7.1
247.16925	3.8
249.16306	2.8
251.17905	2.8
255.20876	1.7
257.44412	1.7
259.20578	11.8
261.22101	2.2
263.17734	1.7
275.20242	2.6
279.15979	3.6
281.17374	9.1
287.20023	2.5
297.21954	1.8
309.22488	1.8
323.23596	3.7
333.24219	5.3
335.23663	2.6
353.24850	2.9
390.96411	2.0
391.26120	2.4
419.33197	3.1
429.31552	7.1
437.34238	13.7
447.32764	23.7
455.35205	2.3
465.33762	30.2
483.34772	19.2
501.35498	3.1
503.34732	1.5
521.36584	11.6
527.37408	2.3
529.39111	8.3
536.67352	1.7
539.37360	100.0
540.37408	3.4
557.38580	46.7
558.38580	2.2
579.41644	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	557.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26464	1.8
52.78777	1.8
53.03946	8.6
54.32320	1.9
55.01872	13.9
55.05516	31.0
57.03439	8.5
60.04413	2.5
62.92970	1.8
67.05505	64.7
69.03438	6.5
69.07073	22.3
69.41341	16.0
71.05002	5.6
72.03172	2.3
79.05500	54.9
81.03424	37.0
81.07059	56.1
83.04966	10.2
83.08621	20.7
85.06555	3.4
91.05483	51.9
93.07043	49.7
95.01363	2.2
95.04969	22.5
95.08607	32.4
95.09174	2.7
97.02889	4.1
97.06542	13.3
97.10183	11.6
98.20806	4.8
99.04489	2.5
105.04550	2.3
105.07037	44.9
107.04967	17.1
107.08601	34.0
109.06554	10.8
109.10169	21.2
111.04453	3.9
111.08117	6.8
115.05455	4.7
117.07006	21.6
119.08578	31.1
121.06502	13.0
121.10137	16.2
122.11927	2.1
123.08079	8.0
125.09634	12.3
128.06258	6.0
129.06999	20.1
130.07817	5.2
131.04984	3.9
131.08588	27.1
133.06509	5.8
133.10114	29.2
133.10925	2.2
135.07129	2.1
135.08064	9.7
135.11719	20.2
137.09676	6.1
141.06935	4.7
142.07782	3.0
143.08589	9.8
145.06514	8.1
145.10126	25.9
146.07283	2.4
147.08084	8.4
147.11681	9.8
149.09621	12.6
149.13283	2.9
151.11244	7.0
155.08586	6.8
157.10115	12.5
159.08115	5.4
159.11731	8.8
161.05989	3.0
161.09665	6.5
161.13344	3.2
163.11209	20.8
165.07014	2.5
167.08588	3.3
169.10199	8.2
171.08173	4.3
171.10362	2.6
171.11697	5.0
173.09618	5.1
173.11871	2.5
173.13275	4.8
175.11206	7.0
177.12730	4.9
181.10127	5.4
181.12329	4.5
183.11755	7.8
185.09631	3.5
185.13324	3.6
187.11183	4.2
189.11270	5.3
189.12825	3.8
191.10686	2.5
193.12257	9.8
195.11812	4.9
195.13831	4.1
197.09676	2.3
197.13287	3.7
199.11246	3.0
201.12846	2.5
203.10735	2.1
205.12317	2.5
211.11308	3.8
219.13889	4.0
223.13313	1.9
227.12766	28.1
229.19635	2.3
237.12648	2.5
253.14134	10.4
257.18948	10.6
267.15918	3.1
273.15717	2.0
273.18484	10.8
275.20087	13.9
287.20163	7.0
291.19476	15.5
292.82916	2.3
293.21475	2.1
297.18637	3.1
311.20203	5.4
313.21774	8.7
329.21286	3.9
347.22266	3.4
419.29547	2.5
447.29034	7.7
461.25214	4.9
465.30203	10.5
483.31116	7.7
521.32562	3.2
539.33820	25.4
557.34821	100.0
558.34991	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	557.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.7
55.01865	3.8
55.05516	30.4
57.03432	5.6
57.07079	8.2
64.12665	2.2
65.03942	3.2
67.05508	92.3
69.03413	3.8
69.07070	23.7
69.15015	2.2
70.06593	2.1
71.04995	3.4
71.08638	36.8
71.51458	2.8
79.05500	98.7
81.03419	17.4
81.07060	86.9
83.04988	17.9
83.08628	15.7
85.06550	4.4
89.06045	2.7
91.05487	81.8
93.07050	98.1
95.04973	25.1
95.08611	56.5
95.09175	4.2
97.06538	12.5
97.10179	9.4
99.08099	25.4
105.04536	3.8
105.07042	52.2
107.04968	16.6
107.08604	48.5
107.09306	3.4
109.06513	6.9
109.10146	17.6
111.08077	3.3
113.09626	2.9
117.07012	13.0
119.08583	38.4
121.06536	3.0
121.10149	28.1
123.08060	6.7
123.11735	2.9
125.09612	2.6
128.06226	2.9
129.07021	14.3
130.07848	2.8
131.08566	11.3
133.10144	19.8
135.08009	2.5
135.11705	39.9
137.09665	5.2
141.09113	4.2
143.08572	11.6
145.10135	13.4
147.08107	2.7
147.11682	26.5
149.13260	12.9
151.11179	15.5
157.10197	3.6
159.11699	8.4
161.09612	2.3
161.13232	21.3
163.11230	7.2
163.14856	2.8
165.12727	2.6
171.11742	20.9
173.13268	4.5
175.14769	2.3
177.12724	5.2
179.12738	5.1
179.14320	100.0
185.13287	4.1
189.12747	8.8
195.13846	3.9
199.14771	3.2
207.13768	14.9
221.15335	5.9
235.16930	6.4
241.19543	3.6
256.26437	8.4
259.20566	5.6
277.21655	72.2
283.26190	2.4
284.29593	7.9
295.22763	5.2
354.99988	2.4
390.83829	2.0
431.67078	2.4
448.41208	2.1
467.36890	4.5
539.37793	3.0
557.38269	66.4
557.53204	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	557.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36817	1.5
50.59820	1.7
53.03946	8.0
55.01876	13.3
55.05511	34.2
57.03429	5.4
57.07079	1.5
58.42919	1.3
59.04996	2.3
65.03931	2.9
67.05508	45.3
69.03443	8.1
69.07072	23.1
71.05008	2.9
79.05495	43.2
81.03419	40.9
81.07058	42.3
83.04971	11.5
83.08624	21.2
85.06543	2.9
86.49275	1.4
91.05489	43.5
93.07047	36.3
95.04967	22.8
95.08605	21.5
97.02901	6.0
97.06536	11.3
97.10171	16.1
99.04465	2.2
103.05473	1.8
105.04539	1.4
105.07029	32.6
107.04954	16.3
107.08585	21.8
107.09280	1.4
109.06490	7.4
109.10168	13.0
111.08085	4.8
115.05458	5.1
117.07016	19.9
119.04937	1.8
119.08580	27.3
119.09356	2.4
121.06509	7.9
121.10132	12.1
123.08112	5.4
125.06113	1.8
125.09623	13.2
128.06253	4.6
129.07013	12.3
130.07774	2.6
131.04930	2.7
131.08568	19.6
133.06532	6.5
133.10126	14.8
135.08083	8.8
135.11670	6.9
137.09674	5.3
141.07004	4.6
142.07777	3.4
143.08588	9.9
145.06506	5.2
145.10120	21.1
147.08081	7.3
147.11705	6.6
149.09631	7.8
149.13277	2.5
151.11142	3.0
153.07033	1.5
153.09096	2.2
155.08575	4.3
157.10115	9.4
159.08070	4.2
159.11699	8.4
160.62820	1.5
161.09642	5.3
161.13287	1.9
163.11168	9.1
169.10149	5.8
171.08043	2.0
171.11742	5.2
173.09641	4.1
173.13242	1.7
175.11232	6.5
177.12756	3.2
181.10159	3.3
183.11729	4.3
185.09625	3.0
185.13297	2.9
187.11264	4.5
189.11267	5.2
189.12759	1.8
193.12245	8.1
195.11743	2.1
197.13252	2.6
199.11203	2.2
201.12787	2.5
205.12215	1.9
219.13817	10.9
223.13246	8.3
227.12735	15.6
239.17847	2.0
253.14188	1.6
257.19037	5.9
267.15845	3.6
271.17020	2.3
273.18463	10.0
273.58228	1.6
275.20093	14.8
287.13156	1.4
287.16431	1.9
291.19543	45.0
295.20718	2.5
295.61612	1.6
313.21677	11.3
315.19678	3.5
329.21191	1.7
347.22205	2.9
367.09613	1.6
371.22058	2.1
429.28259	1.9
445.25784	4.6
447.28763	4.4
465.30090	8.1
483.31055	6.0
501.32413	2.8
521.32397	1.9
539.33691	19.2
557.34790	100.0
558.35382	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	557.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	6.9
55.01878	10.4
55.05268	2.0
55.05516	29.2
57.03437	4.2
58.67710	1.4
63.56818	1.5
65.03938	2.3
67.05506	38.8
69.03443	8.4
69.07063	21.2
69.77586	7.7
69.78947	1.6
71.04982	3.6
78.23180	1.6
79.05499	33.6
79.05961	1.7
81.03421	53.7
81.07062	26.9
83.04974	5.4
83.08622	18.7
91.05487	34.3
93.07047	30.7
95.04979	21.9
95.08613	17.8
97.02900	8.0
97.06527	6.0
97.10189	14.2
105.07037	28.5
105.07698	2.5
107.04964	14.1
107.08597	18.8
109.06503	7.6
109.10181	11.6
111.08112	5.0
115.05502	1.7
116.06186	1.7
117.07027	12.9
119.04944	2.1
119.08598	22.7
121.06511	7.9
121.10183	9.1
123.08077	3.8
123.11774	1.7
125.09675	10.4
128.06250	3.2
129.07040	7.7
131.08589	15.0
133.06493	6.0
133.10130	10.7
135.08035	5.6
135.11681	5.6
137.09621	4.7
140.53680	1.5
141.06943	2.0
143.08588	6.8
145.06509	4.7
145.10135	11.7
147.08063	7.9
147.11661	8.4
149.09630	4.8
151.11217	1.9
153.09114	1.9
155.08580	4.3
157.06528	1.4
157.10164	9.3
159.08060	4.1
159.11714	6.4
161.05959	1.5
161.09589	2.6
163.11249	3.3
169.10081	3.6
171.08102	1.5
171.10280	2.9
171.11673	3.4
173.09654	3.4
173.13293	2.4
175.11258	9.5
177.12843	1.9
181.10001	1.5
183.11731	3.1
185.09665	2.1
185.13324	2.1
187.11230	3.0
189.11247	7.6
193.12263	11.2
197.13351	2.9
201.12776	2.3
205.12277	3.7
215.14316	1.7
219.13774	10.9
223.13274	10.3
227.12740	10.4
237.54776	1.6
249.14755	2.7
267.16119	2.0
273.18555	12.9
275.20096	3.2
287.20087	1.7
289.18167	2.1
291.19553	51.1
313.21594	7.8
315.19629	2.1
347.22504	1.5
365.23248	2.3
421.26407	2.2
429.28070	1.6
445.26193	2.4
447.29178	2.2
461.48050	1.7
465.30179	5.5
483.30991	5.3
539.33661	17.5
557.34802	100.0
558.34766	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	556.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.6
57.03445	4.1
59.84936	1.9
67.05505	18.4
69.03432	12.6
69.07070	13.8
71.04994	5.0
71.51373	3.7
79.05499	9.6
81.03413	5.9
81.07062	44.3
83.04989	3.5
83.08630	10.8
84.51704	2.2
85.02906	35.6
85.06566	3.6
87.04479	3.4
91.05483	34.9
93.07044	12.9
95.08611	59.5
96.08145	3.1
97.02923	13.6
97.06531	13.7
97.10182	7.6
99.08103	7.7
105.07024	16.0
107.08619	6.3
107.94738	1.9
108.08102	2.5
109.02845	3.6
109.06558	3.4
109.10181	5.0
109.50506	1.9
110.09698	4.5
115.03947	3.3
119.08588	27.5
120.08141	3.2
121.10159	7.4
123.08080	5.1
127.03928	6.5
131.08623	2.8
133.04997	4.2
133.10138	23.2
135.11691	17.1
136.07512	2.5
137.05977	2.4
137.13271	13.6
138.09158	6.6
141.09209	2.5
145.04959	11.6
147.21635	2.2
149.13182	2.3
153.01819	10.9
161.13261	69.1
163.06004	3.5
166.08606	12.1
168.28203	2.6
174.01892	2.2
179.14316	100.0
189.12718	4.9
190.63913	2.3
192.52046	2.1
197.15388	65.7
215.16438	23.3
221.70863	2.0
225.10304	2.5
225.42670	2.0
237.10114	2.3
238.77806	2.2
245.08017	3.2
253.09779	3.0
265.09839	3.5
281.09219	2.5
293.09232	3.9
311.10486	2.8
327.09848	3.3
339.09872	4.1
359.11954	2.1
363.42871	2.4
464.18210	5.2
492.17615	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	556.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01868	1.9
55.05521	10.8
57.03434	7.3
57.07082	40.3
62.61264	1.4
67.05504	14.4
69.07081	10.1
69.29889	14.0
70.06604	12.0
71.04982	2.3
71.08286	2.9
71.08636	28.1
73.02935	2.3
79.05505	13.8
79.44686	1.6
81.07070	20.0
83.04991	3.1
83.08624	11.1
85.06609	1.7
85.10176	10.5
86.09720	1.7
88.07641	5.1
89.06040	8.6
91.05485	6.4
93.07055	24.0
95.04989	3.9
95.08611	37.8
97.06530	1.7
97.10178	3.6
104.10741	8.9
105.07047	5.5
107.04956	5.8
107.08604	18.3
109.10169	6.2
117.07018	4.9
119.08587	7.3
121.06549	4.3
121.10130	9.1
123.11700	2.2
132.10216	4.4
133.08621	5.2
135.11705	32.3
143.08652	2.1
145.10135	20.6
146.11789	3.0
163.11200	42.8
165.72887	1.6
177.11336	2.0
181.12268	6.9
227.12798	69.5
231.77373	1.9
232.51978	1.9
256.26407	5.8
257.24750	2.1
272.25943	2.8
283.15411	59.0
283.18546	2.9
283.26300	31.9
300.28989	15.3
311.29559	4.0
313.27383	100.0
521.38428	70.2
556.53082	81.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29101	0.5
51.59272	0.5
55.05507	1.3
57.07061	0.6
67.05523	0.7
69.03419	1.2
69.07067	0.7
70.06605	1.3
71.04997	0.6
71.51857	0.8
79.05476	1.0
81.07065	2.8
82.92001	0.5
83.04961	0.5
83.08624	1.7
84.08160	1.1
85.02895	1.0
85.06551	2.7
91.05496	0.7
93.07046	2.0
95.08614	2.2
96.08115	0.9
97.02907	1.1
99.08109	0.9
105.07066	1.3
107.08614	2.5
109.06501	0.6
109.10177	1.3
111.08098	1.1
119.08601	1.0
121.10163	1.4
123.11783	0.6
125.09663	1.8
127.03719	1.9
133.10150	1.2
135.11708	0.9
141.05241	0.6
145.10150	0.7
153.01807	2.4
153.12805	0.6
163.05048	0.5
169.04784	2.0
171.02664	1.2
171.13869	0.5
181.12224	0.6
185.04289	0.6
205.08504	0.9
215.05281	0.6
223.16995	0.9
229.06816	0.7
245.11600	1.6
263.12631	0.8
275.07465	0.8
301.09039	0.8
305.24750	0.8
317.08463	1.6
323.25964	1.0
327.14029	0.5
333.07944	9.9
335.09460	4.7
341.26923	0.7
361.11069	0.8
395.25668	0.8
425.17816	2.7
459.18561	1.6
529.22992	2.6
532.14099	0.5
551.98285	0.5
557.22107	100.0
558.22388	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	556.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.5
53.52506	0.3
55.01881	1.4
55.30990	0.2
57.03444	1.9
61.02929	1.0
65.03948	1.6
69.03435	2.2
69.69849	1.7
71.01359	0.5
73.02924	3.6
80.12774	0.3
81.03452	0.5
85.02911	5.7
87.04480	0.5
91.05489	100.0
92.05823	0.8
97.02898	7.6
97.41111	0.3
98.21545	0.4
99.04471	0.3
99.72236	0.3
102.05361	0.3
105.07027	1.3
115.03952	2.4
117.07030	0.6
127.03937	1.2
129.07021	0.4
131.08577	0.3
133.04985	2.3
133.10153	0.7
145.05006	1.7
145.06476	0.5
150.07674	0.3
159.23727	0.3
161.09709	0.4
163.06058	0.4
163.11226	0.4
167.03410	1.0
172.75414	0.3
179.10722	1.0
200.23195	0.3
217.08565	0.4
227.07071	0.4
245.08127	4.2
289.52679	0.3
330.97452	0.3
394.06497	0.3
470.52390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.8
55.01865	2.2
56.02236	2.0
59.55802	2.0
67.05499	2.4
69.03444	10.6
71.04996	8.4
71.10225	4.3
71.10559	3.2
73.02947	2.5
79.05486	5.9
81.03420	15.6
81.07056	9.0
83.04965	2.3
83.08633	2.2
85.02930	2.7
91.05486	22.1
93.07053	10.8
95.04982	4.2
95.08620	7.1
97.02908	14.0
99.04433	14.3
105.07038	100.0
107.08605	10.0
108.04508	2.9
109.02885	10.1
109.06517	8.2
109.10147	6.2
111.04471	2.5
117.07016	3.2
119.08587	22.9
121.06495	6.2
123.08072	6.0
127.03898	13.9
131.08588	4.1
133.06505	6.2
133.10143	95.4
135.11691	2.7
137.05977	3.6
137.09619	4.6
143.08546	7.6
145.10121	6.7
147.08055	4.5
151.07593	12.5
151.11201	2.3
153.01819	27.4
161.08301	5.1
161.09630	79.3
163.11191	39.5
165.09120	7.3
171.02858	2.8
179.10674	40.1
189.09129	43.6
193.43219	2.0
207.10164	38.3
207.13724	3.5
215.67619	2.3
225.11275	7.5
305.13745	11.6
315.06934	4.3
315.12436	3.9
323.14917	20.8
333.13446	14.5
351.10284	2.0
351.14383	46.5
351.18427	3.8
415.69507	2.5
556.27777	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	556.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60815	1.2
53.03945	2.2
55.05500	4.6
67.05488	3.0
69.03411	3.5
69.05617	1.1
69.07069	3.1
69.07439	1.1
70.06588	1.5
71.51614	1.8
73.18954	1.2
75.62323	1.2
79.01844	1.6
79.05475	3.9
79.97717	1.1
81.03415	6.0
81.07054	3.6
85.02892	3.9
91.05487	10.3
93.07037	3.5
95.04983	1.7
95.08599	4.6
97.02865	2.5
103.05445	1.5
105.07037	29.8
107.08600	6.1
109.02863	4.4
109.06514	9.0
109.10170	1.9
109.66196	1.1
115.05350	1.2
117.07037	3.4
119.07700	1.6
119.08585	32.5
121.10159	5.7
121.79503	1.1
123.08057	4.7
123.11686	2.7
127.03947	8.3
130.07767	1.7
131.08565	3.7
133.06512	1.6
133.10051	1.9
137.09625	1.7
143.03436	2.1
143.08496	1.2
145.10136	8.5
147.11688	43.0
149.09625	5.3
153.01833	100.0
153.02852	3.5
156.09294	1.4
163.11208	2.1
165.12746	3.9
171.02887	18.2
171.11664	3.4
189.09315	1.2
189.11101	1.8
189.12756	29.6
207.13808	21.1
297.06042	13.6
315.07095	58.7
316.07333	1.3
339.66779	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02146	1.4
52.72861	1.2
53.03956	2.6
55.05516	2.1
57.03445	3.7
59.54587	1.2
61.02927	2.3
61.54279	1.3
69.03431	4.8
69.07072	2.1
70.06579	1.4
71.05000	15.7
71.51470	1.4
73.02917	1.8
75.04493	2.1
79.05505	8.6
81.03439	1.6
81.07056	3.2
83.04985	3.3
85.02442	1.9
85.02912	22.4
86.09701	1.4
87.04465	3.2
91.05489	6.9
93.07038	4.1
95.04955	2.4
95.08617	1.6
97.02887	3.1
99.04440	2.3
105.03394	3.6
105.04551	1.5
105.07038	3.6
107.04963	100.0
107.08624	1.6
109.10199	1.8
111.04430	2.1
117.05529	1.4
117.67953	1.5
119.04947	7.3
119.08580	2.5
121.06513	12.6
123.04433	3.0
123.11732	1.4
127.03909	2.4
127.11225	1.3
129.05501	7.1
131.04906	2.9
133.06482	3.2
133.10178	2.4
135.04434	1.9
145.06552	2.3
147.06483	2.7
149.06004	3.6
153.01826	3.7
157.10265	1.2
159.08089	3.0
161.05991	15.9
161.09575	1.7
184.98972	1.4
187.07573	4.2
189.09097	1.4
191.07048	1.8
205.08556	3.3
223.09686	6.5
225.09113	2.5
227.77870	1.6
332.08597	1.5
429.37787	1.4
554.26611	2.5
572.25854	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77427	0.4
51.02376	0.6
51.25763	0.4
53.03932	1.7
53.89030	0.4
55.01846	0.5
55.05505	0.5
57.03426	1.0
61.02902	0.6
67.05507	0.9
69.03419	1.4
69.07057	0.4
70.06594	0.5
71.01371	0.4
71.51759	0.7
73.02934	0.7
79.05491	5.3
81.03423	1.1
81.07043	1.1
85.02903	2.4
91.05477	1.7
93.07069	0.9
95.04989	1.9
97.02885	2.0
99.04424	0.5
105.04506	0.6
105.07011	0.7
107.04958	100.0
108.05267	0.6
109.10142	0.4
114.09202	0.9
115.03931	0.9
119.08576	0.6
121.02852	0.6
121.06490	1.0
127.03925	0.8
131.04955	0.5
133.02853	2.3
133.04977	1.6
133.06517	0.5
133.10091	0.8
139.03893	0.4
145.04964	1.2
145.06477	1.0
147.04417	0.6
147.08070	0.6
149.05948	1.1
151.03897	15.2
153.01826	0.4
161.05937	0.5
161.09550	0.5
173.05986	0.7
191.07059	0.7
221.07954	0.5
227.07011	5.9
228.85201	0.5
245.08170	3.3
302.98874	0.4
410.65588	0.4
496.09933	0.6
555.41687	0.5
556.28137	1.7
557.28253	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
55.05513	6.5
56.05032	4.5
57.07087	5.4
60.04519	2.2
66.89903	1.2
67.05508	12.5
68.05022	1.2
69.07067	8.1
69.35260	6.2
69.35687	3.7
71.08632	3.2
75.34116	1.2
79.05493	10.7
80.05022	3.1
81.05771	2.1
81.07066	11.3
82.06591	6.7
83.08609	4.3
85.10162	1.4
91.05488	8.4
93.07053	8.2
94.06577	17.2
95.07335	8.3
95.08629	7.4
96.08125	4.6
97.10165	3.1
98.20805	2.5
105.07028	5.6
107.08620	4.5
108.08118	3.1
109.10161	4.2
119.08587	5.2
121.10139	5.3
122.09686	2.1
123.11697	1.7
133.10144	4.5
135.11742	2.4
161.13234	1.4
166.72580	1.2
233.22646	6.2
245.22685	4.3
250.25395	8.3
262.25317	100.0
272.25885	5.3
280.26343	8.4
496.68463	1.4
504.47733	3.0
516.47882	8.4
534.48792	6.4
552.50574	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	1.4
69.33171	9.7
69.33582	2.8
83.70728	1.6
84.62576	1.6
107.08614	1.6
111.08102	2.3
118.06537	17.7
132.08119	4.7
136.23083	1.6
144.08113	11.9
146.06023	63.2
147.06345	7.0
151.11206	4.8
159.09196	7.2
170.06041	3.6
188.07082	100.0
189.07422	10.7
190.07654	4.3
205.09729	47.1
206.10025	4.3
312.32153	1.6
366.29413	2.2
488.46606	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61982	0.2
55.05506	0.4
56.05039	0.8
57.03432	0.2
58.06367	0.2
58.06629	0.5
60.08170	6.2
66.57716	0.2
67.05517	0.9
67.07156	0.2
69.03432	0.2
69.07050	0.3
70.06603	0.2
71.07379	3.7
71.41412	0.2
72.66476	0.2
79.05518	0.5
81.03431	0.3
81.07058	1.0
82.07382	0.2
86.09714	32.8
91.05479	0.6
93.07051	0.6
95.08627	0.5
95.94261	0.2
98.98476	3.7
104.10756	7.0
107.08617	0.2
109.10172	0.3
125.00014	23.0
127.03949	0.2
129.07022	0.2
145.05028	0.3
153.01799	0.3
154.84326	0.2
154.85547	0.2
184.07356	100.0
185.07678	0.5
193.04945	0.2
229.41277	0.2
258.11053	0.3
397.07443	0.2
434.23193	0.2
452.23840	0.7
500.81613	0.2
533.84949	0.2
534.32068	1.3
552.33069	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	552.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.4
56.05030	0.8
58.06628	0.5
60.08166	7.2
67.05495	0.6
69.21956	0.5
69.22375	1.4
70.06596	0.3
71.07376	3.1
79.05491	0.5
81.07064	0.7
82.12520	0.2
86.09708	33.0
87.10096	0.2
91.05478	0.4
93.07018	0.3
95.08605	0.4
97.06459	0.2
98.98464	3.3
104.10752	3.6
105.07050	0.3
107.08572	0.2
117.88791	0.2
119.08633	0.2
125.00008	22.7
156.74669	0.2
171.11655	0.3
184.07344	100.0
185.07639	0.4
193.61169	0.2
446.22845	0.5
464.24155	2.4
518.32727	1.5
552.28986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.33
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.5
58.06285	0.2
58.06591	0.4
58.63422	0.3
58.97727	0.3
60.08165	6.5
61.56791	0.3
67.05502	1.3
71.07372	2.8
71.51389	0.3
71.51768	0.3
79.05479	0.8
81.03400	0.3
81.07043	0.8
82.29680	0.3
86.09708	29.6
87.26682	0.3
93.07018	0.6
98.98483	2.9
104.10738	3.6
119.08627	0.3
125.00011	21.2
135.29634	0.3
139.01717	0.3
184.07346	100.0
185.07712	0.6
275.62033	0.3
345.11304	0.3
446.23285	0.4
464.24164	2.1
518.32147	1.0
534.31494	0.3
552.29169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.3
64.91553	1.7
69.29459	17.5
70.06569	2.6
71.04993	2.4
71.54958	2.4
73.12270	2.2
79.05482	4.9
81.07058	3.9
83.04988	4.2
83.08624	34.4
85.02884	5.5
91.05489	3.0
95.08620	2.9
96.08121	3.8
97.02882	14.0
105.07021	2.1
107.08607	42.1
109.10129	3.1
119.08578	8.7
121.10150	5.9
123.08067	2.8
125.06051	4.1
125.09639	35.0
135.11694	4.2
137.09633	4.3
145.10104	3.4
147.08047	5.6
153.01816	2.9
153.12784	5.5
155.46646	2.0
159.11723	6.6
163.11229	7.9
165.09106	8.1
177.12703	7.3
181.12282	27.2
205.12248	15.7
223.13307	100.0
465.32001	2.1
552.28278	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	552.33
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17514	0.2
55.05506	0.2
56.05032	0.6
57.03438	0.3
58.06610	0.4
60.08170	6.8
67.05501	0.7
69.07079	0.4
71.07378	3.5
71.51087	0.3
79.05495	0.5
81.03419	0.3
81.07052	0.9
86.09713	30.1
91.05476	0.7
93.07044	0.6
95.04943	0.3
95.08615	0.4
98.98479	3.3
104.10756	7.9
105.07069	0.3
107.08604	0.4
109.10136	0.4
121.10152	0.3
125.00014	22.2
125.09629	0.2
129.81053	0.2
143.01105	0.3
169.08508	0.2
178.67569	0.2
182.49065	0.2
184.07353	100.0
185.07709	0.5
237.10112	0.2
258.11099	0.3
277.09549	0.2
280.11823	0.2
293.09262	0.6
294.09741	0.5
352.10211	0.3
452.24155	1.0
479.20251	0.5
520.20770	0.3
534.32135	1.6
544.08533	0.2
552.22589	1.5
552.32336	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	551.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
55.01874	1.4
55.05515	15.4
56.14162	1.2
57.03446	5.7
57.07083	39.4
65.03922	1.5
67.05507	29.1
69.03436	2.9
69.07066	11.7
70.17382	2.1
70.17770	2.5
71.03394	1.0
71.05000	4.7
71.08242	1.3
71.08636	29.2
79.05498	16.0
81.03424	41.5
81.07065	34.3
83.04985	5.9
83.08627	20.9
85.02911	22.1
85.06552	1.7
85.10191	15.5
91.05492	18.4
93.07054	13.3
95.04980	15.5
95.08616	25.8
95.55193	1.3
97.02897	3.1
97.06563	1.2
97.10164	10.3
98.20881	1.2
105.07034	14.8
105.07687	1.5
107.04971	3.3
107.08614	4.9
109.06541	3.2
109.10158	12.2
111.04478	2.1
111.08108	7.2
111.11752	3.4
113.06017	2.4
119.08578	9.9
121.06487	1.5
121.10169	6.6
123.11729	5.3
129.07001	6.4
131.08557	7.0
133.06526	1.3
133.10173	4.3
136.53403	1.1
137.09691	1.2
137.13272	1.8
147.11694	8.6
149.09682	4.4
157.10127	9.5
165.12781	1.9
175.11168	9.0
193.12262	38.3
211.13307	48.0
223.58142	1.3
234.18130	1.1
235.43013	1.1
244.37570	1.3
249.14828	1.7
267.15955	5.1
267.26892	3.9
312.41733	1.4
341.30548	3.8
377.23813	1.2
533.42151	2.4
551.43115	100.0
552.43207	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	552.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10177	0.5
53.03944	0.7
55.01847	0.7
55.05504	0.6
57.03425	0.7
61.02927	1.4
62.68945	0.5
69.03416	2.4
69.46786	2.5
69.47212	1.5
70.06584	1.7
79.65343	0.6
81.03407	1.9
83.04951	0.6
85.02439	0.8
85.02911	10.4
90.25000	0.4
91.03930	0.7
91.05471	0.8
95.04970	0.7
96.08147	0.5
97.02908	3.3
98.21558	0.5
103.05469	3.3
107.08620	0.9
109.02862	1.2
119.08548	0.5
120.08089	0.6
123.04432	20.3
123.05341	1.0
127.03896	2.9
129.07036	0.9
131.04938	14.1
133.06505	1.3
136.07607	0.7
137.05966	1.2
141.25038	0.5
145.05000	3.4
147.04408	1.1
147.08058	4.5
149.05983	33.2
157.06491	0.8
163.06024	1.2
165.09164	1.5
175.07533	1.9
193.08609	100.0
194.08928	0.7
211.09660	20.9
223.13373	0.6
238.14661	0.4
314.12357	0.7
360.66287	0.6
373.13928	0.6
419.55988	0.6
460.64319	0.6
492.16934	1.2
520.16504	2.0
552.19214	1.5
552.27301	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.1
55.05518	15.9
57.07083	18.7
65.03960	2.7
67.05515	32.5
69.07076	19.8
69.51933	13.7
71.05012	2.6
71.08634	5.5
75.02737	1.8
79.05503	24.1
81.07066	49.6
83.08627	9.3
85.10178	4.2
91.05491	42.7
93.07048	57.9
95.04964	4.1
95.08613	48.9
97.06550	2.5
97.10177	4.0
103.05468	3.5
105.07038	72.3
107.08601	51.3
107.09316	4.3
108.08923	2.5
109.06520	2.5
109.10166	42.7
115.05476	4.1
116.06256	2.4
117.07036	15.8
119.08594	100.0
121.10154	49.5
123.11723	18.0
128.06209	5.8
129.07019	10.9
130.07797	7.2
131.08588	32.9
133.10147	59.4
135.11703	40.5
137.09668	3.4
137.13239	2.9
139.11246	2.6
141.06989	4.3
142.07823	9.9
143.08566	23.5
144.09343	6.5
145.10133	74.4
146.10629	2.9
147.11690	21.7
149.13251	6.7
152.01376	2.2
153.07021	3.3
155.08612	12.9
156.09360	11.9
157.10152	37.9
158.10941	5.0
159.11714	30.1
160.12520	2.3
161.13249	12.5
163.11133	2.7
163.14894	2.3
166.07909	3.6
167.08612	6.7
168.09323	4.0
169.10121	16.0
170.10878	4.4
171.11699	21.8
172.12502	2.4
173.13280	20.9
175.14838	30.7
179.08578	4.8
180.09364	3.3
181.10129	11.5
182.10965	5.8
183.11732	19.1
185.13255	14.0
187.14828	16.8
189.16496	5.4
193.10153	6.5
194.10950	5.4
195.11757	11.7
196.12489	3.8
197.13258	23.7
199.14870	8.0
201.16431	11.4
206.10902	3.8
207.11739	8.0
209.13306	14.0
210.13873	3.5
211.14853	11.3
213.16438	7.2
219.95677	2.1
221.13272	8.7
223.14944	13.0
225.16377	4.7
227.17961	3.2
231.11848	2.6
233.13200	3.5
235.14798	6.0
237.16402	5.3
239.17938	5.6
241.19516	5.1
245.13269	2.7
249.16394	3.4
251.17879	3.4
253.19664	3.2
257.18976	3.8
259.14777	2.5
261.16461	3.7
265.19540	3.8
267.21057	3.6
271.20642	2.8
275.17932	2.6
277.19580	2.9
279.20969	3.1
283.20639	3.6
285.22208	2.9
309.22098	2.2
317.22913	2.6
345.25635	3.5
349.25266	2.2
411.30542	2.8
429.31046	2.5
477.34650	2.3
533.41248	6.3
551.42413	46.9
551.50397	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	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.05514	17.7
57.07086	15.7
65.03943	3.8
67.05513	30.1
67.73460	1.7
69.07076	20.9
69.21812	2.5
69.22212	16.5
71.08626	4.2
71.40607	1.8
79.05499	23.1
81.06590	3.1
81.07062	40.3
83.08627	10.5
85.06571	2.3
85.10168	3.3
87.78609	1.8
91.05489	45.9
93.06477	3.6
93.07052	54.0
95.04974	4.2
95.08611	45.0
103.05460	2.4
105.04555	3.5
105.07038	71.3
107.08600	57.1
109.10166	44.5
115.05482	4.1
117.07020	16.3
119.08592	100.0
121.09332	3.1
121.10161	45.0
123.11721	16.0
125.27663	2.0
128.06223	6.2
129.07007	11.8
130.07800	7.2
131.08575	27.5
132.09351	1.8
133.10136	63.6
135.11714	37.4
137.09567	2.4
137.13223	3.0
141.06981	3.9
142.07771	11.0
143.08582	25.6
144.09364	6.2
145.10136	64.6
147.11711	19.9
147.48621	1.6
149.09674	2.9
149.13286	6.1
153.06966	2.9
155.08568	11.4
156.09377	10.2
157.10150	41.1
158.10924	5.9
159.11685	36.5
161.13232	10.0
165.06979	2.5
167.08630	5.5
168.09360	3.1
169.10139	19.4
170.10951	4.8
171.11702	21.3
172.12439	2.6
173.13255	19.2
174.06273	2.0
175.14844	38.9
179.08563	4.6
180.09419	2.9
181.10097	7.4
182.10846	7.1
183.11700	17.6
184.12617	2.2
185.13252	13.2
187.14821	15.3
189.16426	5.0
192.09361	3.1
193.10138	6.8
194.10869	4.6
195.11690	11.3
196.12503	4.4
197.13289	18.0
198.14091	2.7
199.14810	8.2
201.16434	13.7
206.11037	2.8
207.11676	6.7
208.12471	3.6
209.13255	14.1
211.14845	10.8
213.16353	5.7
215.17958	2.4
219.17302	4.7
221.13275	7.3
222.13812	2.4
223.14839	9.5
225.16463	4.9
233.13266	5.0
235.14841	8.4
237.16394	6.9
239.17953	4.2
241.19647	3.5
247.14934	3.2
249.16435	4.2
251.18018	4.2
253.19559	3.0
261.16397	2.2
263.17972	2.8
265.19638	4.0
267.21042	4.1
275.17957	2.6
277.19418	3.2
279.21176	2.2
285.22165	4.0
289.19675	3.1
291.21036	3.2
305.22348	2.7
319.24164	3.0
327.07773	2.1
343.24283	2.3
349.25266	2.8
487.88214	2.2
533.41168	5.6
551.34393	2.7
551.42712	38.0
551.50415	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	550.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
53.31012	1.8
53.79412	1.8
55.01869	6.5
55.05508	5.9
57.03434	12.0
57.58319	1.8
58.99673	1.7
61.02915	5.5
61.85310	1.8
67.05493	6.6
69.03433	15.1
69.07077	4.3
70.06600	3.1
71.01364	3.2
71.04990	4.6
71.51564	2.2
71.51915	2.0
73.02930	16.9
79.05485	11.8
81.03417	3.8
81.07054	21.1
83.08622	5.2
85.02909	34.4
85.06548	100.0
87.04482	3.9
91.05482	10.7
93.07050	45.0
95.04956	2.7
95.08614	10.3
97.02895	22.1
97.06539	13.4
99.04458	5.9
103.03907	2.5
105.07027	18.6
107.08598	20.3
109.06522	6.6
109.10139	3.0
111.08121	4.3
115.03972	9.0
117.06886	1.9
119.08591	12.5
120.08219	1.9
121.06503	8.0
121.10153	4.8
123.11722	3.2
125.09636	4.9
127.03905	9.9
131.08623	3.2
133.04980	10.3
133.10161	5.6
135.11752	2.3
136.07643	2.5
139.07541	65.6
143.08568	3.4
145.04985	6.8
147.04420	6.1
147.08092	4.5
147.11690	2.4
150.07668	2.6
153.01808	6.5
157.10149	2.5
159.11723	5.1
161.09627	3.4
161.13274	22.5
163.06070	2.8
165.09280	2.3
166.08679	3.7
175.14877	5.2
180.10158	1.8
181.12215	2.9
184.07397	2.1
185.13242	9.8
203.14355	13.8
221.15373	33.4
239.16405	13.9
265.09756	3.0
283.14395	2.3
335.22391	2.2
501.46613	1.8
518.19153	6.1
550.21912	15.5
550.30206	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	551.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99544	0.7
54.06310	0.7
62.41541	0.7
69.36886	5.8
70.41476	0.8
87.99638	0.6
98.21503	0.8
115.05442	1.4
117.07057	1.6
118.06551	19.4
119.16157	0.7
130.06523	2.3
132.08081	5.6
142.06548	2.3
143.07300	2.1
144.08095	12.7
146.06017	64.5
146.51282	0.6
148.82999	0.7
155.05959	0.7
159.09160	5.8
170.06003	5.1
188.07076	100.0
189.07391	1.3
205.09731	41.3
439.33984	0.9
484.61011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4251
Annotation	(3'Z,5'Z)-Celaxanthin
Peak:m/z	Relative Intensity
53.03947	3.9
55.05518	12.8
57.07072	9.2
58.81834	1.2
61.60289	1.5
65.03953	3.2
67.05177	2.2
67.05509	26.2
69.07074	18.3
70.82223	2.8
71.08643	1.9
77.03928	1.5
79.05499	19.5
79.48701	1.2
81.07062	43.3
83.08620	7.5
85.06555	1.7
91.04916	1.4
91.05490	36.7
93.07050	52.7
93.07642	2.6
95.04979	3.2
95.08613	45.6
97.06548	1.7
97.10153	2.0
103.05472	4.1
105.04523	2.2
105.07037	69.9
107.08601	53.3
109.06519	1.3
109.10168	39.9
111.08090	1.7
115.05469	4.6
116.06238	1.4
117.07016	16.6
119.08588	100.0
120.08883	1.3
121.10155	47.6
123.08055	1.7
123.11726	14.3
123.49226	1.0
128.06215	9.2
129.07025	11.4
130.07796	7.2
131.08582	26.9
133.10138	58.2
135.11697	36.3
137.09656	4.0
139.11191	1.9
141.07014	4.9
142.07794	15.5
143.08575	23.2
144.09370	7.6
145.10132	66.3
147.11697	20.2
149.09647	3.3
149.13297	6.1
153.07022	2.3
155.08569	9.3
156.09355	10.6
157.10139	35.5
158.10915	5.8
159.11705	34.6
161.13254	11.5
163.11165	2.8
163.14870	2.8
165.06989	3.0
166.07841	1.4
167.08578	6.1
168.09366	3.4
169.10138	17.3
170.10910	5.5
171.11702	20.9
172.12479	2.5
173.13280	21.8
175.14830	39.8
175.16277	2.5
177.16388	1.8
178.07674	1.4
179.08591	5.4
180.09401	2.1
181.10143	10.3
182.10910	4.1
183.11717	15.3
184.12457	2.5
185.13264	13.6
186.14001	1.9
187.14818	15.4
189.16417	2.8
192.09296	1.9
193.10165	5.2
193.15927	1.7
194.10947	4.4
195.11717	11.3
196.12466	4.6
197.13271	18.9
199.14856	12.3
201.16386	15.3
206.10919	3.0
207.11789	6.1
208.12473	4.0
209.13287	13.5
210.14075	1.5
211.14819	11.3
213.16428	5.6
215.17947	1.4
218.10875	1.4
219.11703	2.3
219.17516	3.6
220.12401	2.0
221.13292	8.0
222.14014	1.7
223.14827	13.3
225.16353	6.3
227.17989	3.4
231.11731	2.3
232.12498	1.5
233.13307	4.0
234.14056	2.2
235.14848	6.0
237.16391	6.0
239.18018	5.3
241.19536	4.0
245.13239	3.5
247.14876	4.0
249.16357	3.9
250.17029	1.9
251.17926	3.7
253.19559	4.2
259.20670	1.5
261.16418	3.7
263.17975	2.4
265.19601	5.6
267.21088	5.5
272.15585	1.7
274.17017	1.5
275.17960	3.2
277.19510	3.9
279.21115	3.1
283.20688	1.9
285.22153	4.0
289.19476	2.8
291.21072	1.6
303.21362	1.6
305.22830	1.7
317.22800	1.8
319.24350	1.5
331.24240	1.7
333.25906	1.8
345.25687	3.1
347.23639	1.4
349.25308	2.5
359.27084	1.5
411.30508	2.1
429.31534	3.4
451.33377	1.6
453.35162	1.4
459.36130	2.3
495.36295	2.7
533.41479	3.8
551.42535	39.4
551.50763	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	549.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01884	2.3
55.05515	41.0
57.03444	7.9
57.07071	9.8
61.50792	1.7
65.03921	2.2
67.05508	55.4
68.05824	1.8
69.03432	2.6
69.07069	37.6
70.10203	3.2
70.10606	5.2
71.04997	7.0
71.08627	5.4
79.05067	3.0
79.05498	38.4
81.02933	2.1
81.03422	48.1
81.07062	56.7
82.07403	3.1
83.04993	11.7
83.08622	45.6
85.02911	22.4
85.06548	2.4
85.10188	1.9
91.05482	28.8
93.07057	26.9
94.07385	1.6
95.04973	25.0
95.08611	37.8
97.02869	1.8
97.06551	5.6
97.10191	16.9
99.08060	2.1
105.04574	1.7
105.07032	18.2
107.04975	3.5
107.08601	17.3
109.06542	3.9
109.10170	20.8
111.04449	2.2
111.08081	9.2
111.11713	6.2
115.05492	1.5
117.07012	2.8
119.08578	16.2
121.10142	21.9
123.08127	1.8
123.11719	6.1
125.09629	2.4
129.07002	7.2
131.08549	11.3
133.06482	2.0
133.10124	7.9
135.11702	14.2
137.09688	1.7
142.07817	3.2
145.10141	4.1
147.08052	3.4
147.10725	2.4
147.11708	12.3
149.09662	5.3
149.13312	4.3
157.10123	9.4
163.11133	2.5
165.12856	2.9
175.11197	9.9
193.12247	45.4
211.13274	48.0
247.24219	3.4
263.06821	1.5
265.25275	9.8
267.15939	5.7
339.29047	4.3
457.36606	4.7
531.40320	8.9
549.41467	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	549.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
53.63492	0.9
55.01863	2.4
55.05515	39.6
57.03442	9.2
57.07078	9.8
65.03937	1.8
66.70884	0.7
66.85646	0.8
67.05510	45.4
69.03430	3.4
69.07074	37.4
71.00787	1.8
71.04994	4.2
71.08643	5.1
72.66531	0.8
77.03934	1.1
79.05498	25.0
79.05962	1.4
81.03424	42.0
81.07062	49.9
83.04989	8.4
83.08623	35.5
85.02912	23.0
85.06542	2.0
85.10168	2.4
88.52092	0.9
91.05486	23.3
93.07051	23.5
95.04977	18.0
95.08614	38.5
97.02904	1.5
97.06543	5.0
97.10181	18.0
98.39167	1.0
99.08084	2.1
105.07039	19.7
105.07697	1.7
107.04993	4.4
107.08606	12.1
109.06518	3.0
109.10163	17.9
111.04461	2.6
111.08092	9.2
111.11739	3.7
113.05993	2.4
113.09668	1.3
117.07033	1.8
119.08585	13.9
121.10155	18.2
123.08083	2.5
123.11727	4.7
125.09637	2.0
129.07019	6.1
131.08549	7.7
133.06485	2.1
133.10150	8.5
135.11699	9.4
137.09607	1.0
137.13277	2.4
142.07808	1.5
145.10109	1.8
147.08104	2.7
147.11713	10.5
149.09665	5.3
149.13292	3.2
151.11157	1.6
151.14830	1.9
157.10136	8.7
165.12810	2.7
175.11206	10.5
193.10455	1.6
193.10858	0.8
193.12254	45.6
211.13298	51.1
227.12827	1.0
247.24335	2.9
249.14894	1.4
253.14438	4.2
261.22266	1.1
265.25354	7.4
267.15820	4.7
271.15262	1.5
285.16977	1.9
339.29019	4.7
406.46533	0.9
457.36649	2.5
531.40656	4.9
549.41528	100.0
550.42047	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	549.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.7
55.01868	2.1
55.05512	40.8
57.03440	6.8
57.07077	9.1
59.04992	1.4
61.53858	1.2
65.03948	1.5
67.05509	45.5
69.03439	3.0
69.07072	38.8
69.15195	13.6
71.04995	5.5
71.08636	4.8
79.05497	24.1
81.02939	1.9
81.03423	44.5
81.07063	51.7
83.04977	5.9
83.08625	37.2
85.02914	23.3
85.06546	3.0
85.10201	3.0
91.05489	24.4
93.00423	1.1
93.07048	22.5
95.04979	18.7
95.08612	37.5
97.06522	4.4
97.10168	15.8
99.08108	2.2
105.07023	14.4
107.04963	3.5
107.08604	11.9
109.06519	4.9
109.10171	16.9
111.04445	1.7
111.08103	9.2
111.11727	3.9
113.06020	1.8
113.09646	1.4
115.05456	1.5
119.08589	12.8
121.06522	1.5
121.10154	15.7
123.08100	1.5
123.11722	3.7
125.09708	1.8
129.06996	5.5
131.08591	6.8
133.06471	1.5
133.10150	7.3
135.11687	8.8
137.13290	2.0
142.07745	1.9
145.10176	1.8
147.08047	2.4
147.11714	12.0
149.09645	4.8
149.13309	4.5
151.14865	1.2
157.09030	1.7
157.10120	9.0
175.11203	12.7
193.10469	1.5
193.10889	0.9
193.12256	45.9
211.13300	48.3
227.12793	1.5
247.24236	2.5
248.51743	1.2
256.77115	1.1
265.25302	7.3
267.15894	5.8
285.16943	1.6
295.75955	1.1
339.29047	4.8
353.38901	1.4
457.36829	2.9
531.40656	6.0
549.41534	100.0
550.42108	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	549.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56947	2.6
53.03935	6.3
55.01869	9.4
55.05517	32.3
57.03426	9.5
57.07080	6.7
61.60378	2.9
65.03931	3.8
67.05510	86.2
68.05833	5.0
69.03429	4.8
69.07076	30.2
71.04976	7.8
71.08620	5.1
71.23244	2.7
71.94492	3.2
79.05496	51.3
80.73857	2.5
80.76888	2.5
81.03429	11.5
81.06591	5.9
81.07063	100.0
82.07394	3.9
83.04982	9.9
83.08631	20.4
85.02914	5.1
85.06535	7.3
87.33636	2.4
91.05486	54.7
93.07044	54.1
95.04964	11.5
95.08614	58.3
96.08891	3.7
97.06533	6.3
97.10157	11.1
98.20793	7.2
99.04459	4.8
105.07039	45.6
107.04957	3.8
107.08604	50.6
108.08920	4.2
109.06530	7.0
109.10163	66.0
111.08085	6.6
117.07023	9.3
119.08609	24.3
121.10159	20.1
123.11722	18.4
129.06985	3.5
131.08572	21.3
133.09134	4.2
133.10135	70.0
135.11726	21.1
137.13266	5.7
143.08420	2.7
145.10129	8.1
147.11676	9.1
149.13263	8.9
151.11189	33.9
157.10164	4.2
159.11749	7.3
161.13280	7.7
163.11227	2.7
163.14828	3.2
169.12274	9.4
171.11699	2.9
173.13261	4.5
175.11238	2.8
177.16374	3.2
193.12210	11.6
211.13226	9.4
215.12926	3.4
243.21046	4.8
253.14368	82.5
261.22177	32.8
267.15820	4.4
271.15457	29.0
279.23187	5.5
317.24774	6.7
335.25787	29.8
381.77609	3.1
439.31549	3.8
447.34326	2.9
505.38574	3.2
513.35828	7.1
531.36578	17.1
549.41638	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	549.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.1
55.01876	3.6
55.05515	27.7
57.03437	8.9
57.07076	9.9
57.97902	2.6
64.55918	2.3
65.03943	2.8
67.05511	100.0
69.03432	4.5
69.07078	30.5
70.96955	4.0
70.97262	2.5
71.04997	10.5
71.08637	5.6
73.62575	2.3
79.05504	51.4
81.03421	13.9
81.07065	97.7
82.07397	2.4
83.04996	11.2
83.08630	22.4
85.02888	3.6
85.06525	5.2
91.05486	54.7
93.07050	57.7
94.07380	5.1
95.04980	14.6
95.08611	61.0
95.09177	4.3
96.08961	2.5
96.17284	2.3
97.06529	7.4
97.10185	7.8
99.08103	3.1
105.07037	45.5
107.05003	2.2
107.08604	53.4
109.06522	5.3
109.10165	71.2
111.08070	3.3
117.07037	6.6
119.08591	21.1
121.10159	23.1
123.08140	4.8
123.11709	15.4
125.09628	4.0
127.07590	3.3
129.07018	4.6
131.08562	12.1
133.10143	64.4
133.41614	2.1
135.11716	17.5
137.13281	3.6
143.08539	3.3
145.10161	12.8
147.11708	8.5
149.09668	3.4
149.13275	6.7
151.11203	33.9
157.10149	5.0
159.11681	6.6
161.13329	4.0
163.14862	5.6
165.12828	3.2
169.12213	6.5
173.13330	3.3
175.14868	3.4
187.14876	2.8
188.50774	2.6
193.12225	8.0
201.16376	3.1
211.13300	10.6
215.12898	5.3
243.20938	5.7
253.14378	70.5
261.22202	31.4
262.84613	2.4
265.25223	3.5
271.15445	28.6
279.23172	3.4
315.06210	2.4
317.24857	8.3
335.25784	28.2
339.28854	3.2
439.31805	3.4
457.32281	2.6
513.35883	9.1
531.36816	17.8
549.41589	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	549.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	13.4
55.01845	5.4
55.05518	73.5
57.03442	24.0
57.07076	25.6
65.03938	4.6
67.05181	5.6
67.05513	79.4
69.03437	5.4
69.07073	66.2
70.98729	4.1
71.04988	9.8
71.08632	15.6
72.87625	3.6
79.05508	55.3
81.03423	71.6
81.07068	83.9
83.04999	12.1
83.08633	62.1
85.02920	4.6
85.10195	5.5
88.54184	4.8
91.05492	35.0
93.07053	53.8
95.04980	54.7
95.08611	69.1
97.02870	4.4
97.06554	17.9
97.10174	30.8
99.08121	5.1
105.07026	34.2
107.04934	8.7
107.08610	31.4
109.06557	8.8
109.10172	35.2
111.08138	7.2
111.11720	6.4
117.07027	10.7
119.08604	33.6
121.06530	4.6
121.10168	31.5
123.08064	5.0
123.11711	12.1
125.09687	10.6
129.07047	10.3
131.08588	16.1
133.10143	18.1
134.85513	4.0
135.11717	20.9
136.12132	4.7
139.11195	4.5
143.08621	3.8
145.10152	10.6
147.08049	7.9
147.11719	11.8
149.13271	8.4
157.10153	9.9
159.11716	6.5
163.11154	9.0
171.11662	4.2
175.11215	9.5
189.11214	5.1
193.12238	40.1
211.13321	13.4
228.13132	4.5
249.14827	8.2
250.11166	4.0
265.25311	13.8
267.15988	32.2
305.28305	4.3
312.88736	3.9
333.79877	3.7
339.29080	32.0
435.96329	3.8
439.35361	8.8
457.36853	87.3
475.37747	15.2
505.39124	6.4
531.33099	6.7
531.40546	100.0
549.41547	99.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.2
55.01868	10.8
55.05514	7.4
57.03445	16.2
61.02925	8.5
67.05508	28.2
69.03427	21.1
69.07063	8.7
71.01347	6.2
71.05004	6.1
73.02914	19.7
79.05501	29.0
81.03423	7.7
81.06593	4.3
81.07063	71.9
83.04982	8.2
83.08627	3.4
85.02914	41.2
91.03956	3.0
91.05492	35.2
93.07047	64.7
95.04971	4.7
95.08614	39.7
97.02898	21.5
97.06519	5.5
98.21535	6.5
103.05507	3.6
105.07037	55.6
107.04916	2.9
107.08599	73.2
109.02884	2.8
109.06567	3.9
109.10166	38.0
115.03938	9.3
117.07030	10.7
119.08588	42.0
121.06514	3.5
121.10156	29.8
123.11702	4.4
125.09653	4.3
127.03938	11.5
128.05264	2.8
128.06252	4.6
129.06999	9.5
130.07797	9.0
131.08571	27.2
133.04973	15.0
133.10146	21.8
135.08051	5.2
135.11710	7.5
137.09584	3.1
143.08589	6.7
144.09428	3.8
145.04971	11.6
145.10143	100.0
147.11736	5.8
155.08546	3.7
157.10213	5.0
159.11697	48.7
161.13280	10.7
162.13916	2.9
163.11224	4.2
173.13310	14.5
201.16403	47.4
212.08443	3.1
219.17503	11.2
303.66061	2.9
334.23022	3.3
343.57062	3.3
348.75906	3.1
516.17810	5.3
548.20630	4.6
548.29108	6.7
577.87762	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	7.7
55.01868	9.5
55.05510	10.2
57.03442	18.0
57.07073	2.5
60.45728	1.8
61.02917	5.7
65.03924	4.0
67.05510	30.2
67.64501	1.9
69.03432	23.0
69.07058	7.7
70.06577	3.0
71.01344	4.4
71.04988	4.5
73.02929	20.2
79.05492	26.8
79.25958	1.9
79.97953	2.2
81.03415	8.4
81.07065	65.0
83.04959	6.6
83.08624	4.3
85.02918	43.0
86.09727	2.2
87.04469	3.2
91.03971	1.9
91.05495	31.0
93.07053	73.7
93.07640	4.8
94.07394	2.1
95.04952	6.3
95.08070	3.4
95.08620	42.5
97.02895	25.7
98.20747	6.4
99.04433	4.7
105.07043	64.9
107.08605	84.6
108.08076	1.9
109.02917	2.5
109.06504	7.4
109.10168	29.5
115.03982	11.0
115.05428	3.4
117.07057	14.9
118.98199	1.9
119.06086	4.1
119.07808	3.4
119.08593	43.5
119.21965	1.7
121.10162	29.5
123.11745	4.2
127.03913	9.4
127.04758	2.2
128.06152	2.7
129.06993	6.5
130.07788	6.8
131.08594	30.4
133.05002	16.1
133.10150	28.9
135.11714	3.6
136.07576	5.3
143.08592	8.6
144.09322	6.1
145.04932	11.0
145.10135	100.0
146.10919	2.8
147.11676	6.8
149.09686	3.3
153.01831	4.4
157.10120	5.5
159.10466	3.6
159.11705	51.2
161.13284	12.3
171.11751	2.4
173.13362	11.7
184.07278	5.7
199.14825	3.6
201.16388	45.7
213.16319	3.2
219.17424	7.2
227.73497	2.1
229.42291	2.1
249.10291	4.7
263.08578	2.3
265.84518	2.1
276.08884	2.4
277.09680	2.6
279.11246	2.4
293.09329	2.3
307.10889	2.8
319.10812	4.2
340.10922	2.4
353.11469	2.9
354.12424	4.3
365.11084	2.9
368.13879	3.5
370.15833	2.8
396.13226	2.5
397.14203	2.4
398.14728	3.9
400.16660	2.7
486.94800	2.2
515.16980	2.1
516.10315	3.9
516.17700	50.0
530.28156	2.4
548.20465	22.8
548.28406	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	548.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
54.03481	0.9
55.01876	0.7
57.52554	0.4
58.06606	1.0
68.99776	2.2
69.03446	0.9
70.06598	100.0
71.27722	0.9
79.05460	0.4
81.07076	1.1
82.81006	0.4
85.02922	1.0
86.61242	0.4
86.61875	0.5
91.05503	1.7
93.07053	1.4
97.02921	0.9
103.05486	1.5
105.07007	0.4
105.13860	0.5
107.04952	2.2
108.85368	0.5
119.04937	1.3
121.06522	4.1
123.04429	5.4
131.04955	1.4
135.04453	3.2
141.48917	0.5
147.04465	3.7
149.05989	9.0
153.01826	0.8
159.04478	1.3
161.06009	0.5
163.03926	1.2
164.04710	0.5
165.05482	3.1
170.28960	0.5
172.55669	0.4
173.06117	0.4
175.07538	1.2
177.05482	77.4
178.05792	0.8
188.07187	0.4
189.05528	0.7
193.05000	0.9
205.05054	0.5
207.06586	0.8
232.22330	0.4
234.11296	4.9
287.14157	0.4
311.09271	1.3
329.10223	6.1
381.46320	0.5
386.15955	1.5
413.81409	0.5
473.14484	1.2
491.15601	3.0
530.20056	0.6
548.21326	48.4
549.21405	1.3
567.76459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
65.08274	0.2
71.52200	0.3
175.25285	0.3
221.10556	0.3
252.96603	0.3
323.13980	0.3
374.14755	0.6
375.16202	0.4
387.16177	1.0
388.16577	1.6
389.17410	1.6
390.18005	1.9
401.17621	0.9
402.18353	2.8
403.18964	3.4
404.19556	5.2
405.20410	0.8
415.19806	0.5
416.20422	1.8
417.20966	3.1
418.21307	6.0
419.21970	2.2
429.17023	0.4
430.17065	0.6
430.22104	0.7
431.18555	3.0
431.23026	1.0
432.18393	6.4
432.24033	0.6
433.24130	3.3
434.18375	0.7
434.24307	13.8
435.24570	0.3
444.19147	0.5
445.19431	2.6
446.20020	10.0
447.20990	3.5
458.20886	0.7
459.21704	1.1
460.21933	5.0
461.22964	15.8
462.23703	13.6
463.24155	0.4
473.23419	0.5
474.23694	3.9
475.24820	1.4
488.25278	1.0
489.26395	0.6
505.25470	0.9
516.24658	0.4
520.27997	2.7
533.25226	0.9
548.27435	100.0
549.27808	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.7
54.00444	1.7
55.01871	3.7
55.05508	26.0
57.03447	8.0
57.07071	4.3
65.03934	4.7
67.05507	92.8
69.06744	1.6
69.07070	22.3
69.26437	16.5
70.67412	1.7
71.04975	5.3
71.08629	3.2
79.05495	48.2
81.03407	7.5
81.07056	100.0
82.07368	1.9
83.04967	7.4
83.08619	16.0
85.06519	3.9
91.05482	38.7
93.07047	53.4
95.04965	7.2
95.08608	62.0
96.08922	2.0
97.06510	8.5
97.10149	6.3
99.08080	2.4
102.48948	1.7
105.07029	34.3
106.07401	1.8
107.04951	2.2
107.08598	35.8
109.06506	4.2
109.10159	35.9
111.08050	4.6
111.11733	2.0
117.06995	11.9
119.08590	27.8
121.06516	3.0
121.10136	26.5
123.08049	2.6
123.11718	11.5
125.09583	2.9
126.47585	1.6
129.06979	5.0
131.08563	24.8
133.10127	21.7
135.08055	3.4
135.11694	18.7
137.09595	1.9
137.13263	3.7
143.08495	6.0
145.10110	17.5
147.11708	15.3
149.09604	1.9
149.13263	20.4
155.08527	3.3
157.10172	9.9
159.11682	18.5
161.13277	8.4
163.11172	3.4
163.14830	4.4
165.12785	3.5
167.08554	2.0
169.10133	3.0
171.11676	5.8
173.13264	6.4
175.14841	3.8
177.12746	3.5
183.11612	3.0
185.13254	3.3
187.14781	3.8
193.12219	3.6
195.13817	6.4
199.14734	2.8
201.16362	2.8
215.17935	2.1
229.14244	3.2
233.22844	2.2
238.87335	1.7
243.21068	3.4
247.20596	2.2
259.20758	2.5
261.22150	18.0
267.15881	8.9
269.17520	20.6
277.21707	4.1
279.23282	3.4
287.23740	3.7
297.21634	1.9
301.25241	5.4
303.26578	2.6
317.24850	3.3
329.24188	1.5
333.24332	2.1
334.32928	1.8
335.25882	16.9
419.33014	3.9
437.34213	10.4
455.35318	12.9
473.36292	11.3
503.37155	3.7
511.37842	4.1
529.38904	58.2
547.39789	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.6
55.01873	5.6
55.05516	29.1
57.03441	13.0
57.07070	7.5
59.05011	2.1
65.03941	6.6
67.05509	100.0
69.03427	3.8
69.07072	29.6
70.95607	3.6
71.04996	9.1
71.08648	4.7
74.07233	1.4
75.78832	1.7
78.61128	1.5
79.05497	56.0
80.05836	2.0
81.03423	47.7
81.07062	89.2
83.04985	10.5
83.08627	27.4
85.02914	16.7
85.06548	4.8
86.06924	1.7
91.05485	46.9
91.06024	3.0
92.05827	1.9
93.07048	45.1
95.04965	24.7
95.08616	61.5
96.05277	2.7
97.02882	2.0
97.06550	7.3
97.10187	11.3
99.08092	3.1
103.05511	1.6
105.07039	29.2
107.04972	10.0
107.08601	27.3
109.06529	6.4
109.10163	30.0
111.04406	2.8
111.08081	10.8
117.07040	6.5
119.08582	25.0
119.09363	2.0
121.06533	3.7
121.10152	16.5
123.04437	4.5
123.08048	2.2
123.11745	9.3
125.09643	5.0
129.07011	8.5
131.08598	12.7
133.06552	2.1
133.10139	16.7
135.08090	2.8
135.11690	9.6
137.05913	1.6
137.09625	2.6
137.13274	4.2
139.11159	2.3
143.08572	3.5
145.10149	9.4
147.08113	2.9
147.11731	14.0
149.09682	6.4
149.13286	4.9
151.11159	2.4
157.10132	9.9
159.11720	4.5
161.13275	5.7
163.11205	4.7
163.14845	2.2
165.12831	2.0
173.09608	2.2
173.13374	3.8
175.11200	10.3
175.14891	3.5
187.14870	2.0
189.11276	2.7
189.16405	1.9
193.12257	34.9
193.15990	1.7
194.12755	2.0
201.16350	2.3
211.13333	39.8
211.15300	3.1
219.42532	1.7
227.12798	2.6
235.13368	5.1
253.14528	2.8
263.23788	4.8
267.15842	8.0
271.15396	3.4
303.26797	2.2
337.27365	6.4
381.57703	2.1
437.34268	2.4
449.29425	2.8
455.35208	6.2
473.35870	2.7
503.37640	1.8
529.38953	25.2
547.39966	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	547.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.6
55.01861	7.2
55.05516	18.7
57.03443	10.8
57.07066	5.1
65.03924	4.3
67.05510	76.2
68.05848	1.4
69.03416	4.5
69.07074	19.5
71.05001	8.0
71.51487	1.9
79.05499	49.0
81.03411	5.4
81.07061	65.8
82.07379	2.2
83.04971	8.3
83.08617	9.4
85.06551	8.7
91.05489	75.3
92.05819	1.8
93.06490	3.4
93.07050	58.3
95.04974	9.3
95.08063	2.1
95.08617	26.8
97.06537	9.9
97.10168	5.2
99.04449	2.1
99.08089	3.3
103.05492	2.2
105.07042	74.4
107.04945	2.9
107.08600	49.6
109.06523	8.5
109.10167	67.2
110.10455	1.9
111.08064	4.3
113.05980	2.6
115.05484	1.7
117.07024	12.7
119.08591	46.8
121.10145	16.8
123.11729	11.2
125.09628	4.7
127.07558	3.1
128.06271	1.9
129.06993	9.1
131.07617	2.0
131.08571	21.2
133.10141	100.0
134.10446	1.9
135.08047	3.6
135.11734	14.7
137.09634	2.2
143.08565	9.9
145.10109	15.5
145.37895	1.6
147.08049	2.4
147.11684	33.4
149.09596	3.6
149.13275	9.8
151.11186	35.3
157.10109	7.8
159.11726	15.2
160.45097	1.5
161.09615	3.6
161.13252	26.4
163.11197	3.4
163.14838	4.4
169.12318	7.4
171.11728	9.5
173.13260	9.4
175.14848	12.8
183.11609	1.9
185.13342	7.6
187.11391	1.7
187.14760	4.3
199.14824	3.3
201.16415	2.2
213.16493	2.2
215.12729	2.4
231.21091	6.9
241.17247	2.6
241.19542	29.5
253.14372	65.9
255.15842	4.6
257.18820	2.4
259.20584	51.6
261.14911	2.3
269.17297	1.8
271.15421	41.1
275.20087	5.4
277.21555	5.8
315.23087	4.7
333.24255	31.7
349.23703	3.7
419.29565	2.5
449.28790	1.9
455.31396	2.7
511.34332	5.0
529.35486	19.5
547.38556	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	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68338	1.2
53.03946	6.8
55.01870	7.4
55.05515	51.6
57.03445	17.8
57.07080	10.7
59.05000	1.4
65.03933	3.7
67.05509	92.3
69.03427	5.1
69.07073	40.5
69.07430	1.2
69.37135	5.8
69.37560	5.2
71.04990	8.8
71.08627	4.2
72.04529	10.1
79.05497	53.2
81.03423	52.2
81.03786	1.2
81.07063	86.2
83.04969	7.4
83.08146	2.5
83.08623	34.1
85.06544	3.7
85.10178	2.0
91.05486	45.4
93.07047	51.5
95.04975	41.9
95.08612	62.9
97.06550	12.3
97.10172	30.5
99.08096	2.7
103.21444	1.8
105.04546	1.7
105.07034	34.7
107.04969	12.9
107.08607	33.6
108.89555	1.5
109.06519	6.3
109.10163	33.1
111.08106	9.3
111.11731	3.0
117.07024	15.3
119.08591	33.0
121.06541	10.3
121.09312	2.4
121.10146	22.0
123.08079	4.8
123.11713	10.7
123.76858	1.5
124.70350	1.3
125.09637	15.9
126.72861	1.3
128.06242	1.7
129.07004	11.4
130.07840	1.9
131.08583	19.0
133.06516	4.2
133.10141	15.7
135.08043	6.6
135.11700	13.7
137.09648	4.1
137.13248	5.5
141.06960	1.8
142.07779	3.5
143.08598	6.3
145.10123	14.8
147.08078	5.4
147.11693	12.3
149.09692	5.2
149.13222	7.2
151.11243	2.0
155.08585	3.8
157.10121	10.4
159.11678	6.6
161.09650	1.6
161.13237	8.1
163.11212	11.6
163.14853	4.4
164.11523	1.6
165.12779	3.4
165.16373	1.8
169.10139	2.8
171.11694	4.5
173.11891	2.7
173.13300	5.0
175.11232	5.9
175.14845	5.6
177.12808	2.7
177.16423	2.1
179.14400	2.5
183.11732	2.2
185.13310	3.1
187.11195	1.9
187.14848	3.1
189.09697	1.7
189.11209	8.8
189.16380	4.0
193.12248	23.1
195.11758	2.0
197.13275	2.4
199.14861	2.8
201.16434	2.7
203.10756	1.5
205.12273	3.7
205.15961	1.8
207.13786	2.1
211.13231	1.8
213.16443	2.1
215.18018	2.0
223.13275	2.9
227.12769	17.7
231.14005	1.6
241.18053	4.1
245.22795	4.7
249.14944	2.9
255.19508	2.0
263.23785	10.0
267.15930	51.6
275.20242	3.2
287.23792	4.2
289.21695	5.0
303.23413	2.1
303.26779	20.3
325.25226	1.7
329.24762	1.5
337.27390	39.9
341.28479	1.8
343.26569	3.5
357.28262	2.3
361.27551	4.2
363.25232	1.8
423.39810	1.5
427.08658	1.8
427.36078	2.9
437.34085	13.3
440.00729	1.7
455.35168	26.6
473.36362	18.2
491.38214	2.0
511.37906	2.7
529.38922	73.7
530.39087	2.4
547.39984	100.0
548.40497	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75273	0.7
53.03954	1.2
54.03479	1.2
58.06588	0.8
65.46376	0.7
69.03428	2.4
69.43399	5.6
69.43720	1.4
70.06599	100.0
72.08163	2.8
77.57789	0.6
79.05511	1.6
81.03408	1.4
84.08138	0.9
85.02916	3.1
86.03259	0.7
86.09710	2.2
91.05476	0.8
95.04982	2.3
97.02890	1.1
105.07034	0.9
107.04961	22.7
108.87707	0.8
119.04948	1.7
121.02889	1.7
127.03982	1.7
135.04488	4.2
137.06021	1.9
139.63428	0.8
147.04413	5.5
153.01895	3.2
154.02258	1.0
163.03911	7.7
165.05473	4.7
166.39038	0.8
170.85867	0.9
187.03940	1.4
191.03412	44.2
209.04501	1.3
225.09045	0.8
248.09239	1.7
253.08588	7.2
281.05457	1.1
281.07977	4.8
309.07593	4.5
325.07114	1.4
327.08664	13.6
373.94662	0.7
384.14798	4.0
395.30408	0.8
432.34534	0.8
489.14130	2.3
520.45593	0.7
532.71149	0.7
546.19800	38.1
547.20190	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01867	1.1
55.05512	3.9
56.96544	0.6
57.03441	4.4
57.07066	1.3
61.02928	3.6
65.03912	0.7
67.05506	3.6
68.99785	0.7
69.03093	0.7
69.03430	11.7
69.07054	2.2
69.38179	4.0
71.01361	0.8
71.05003	4.5
73.02917	6.4
73.06568	0.9
75.09094	0.5
79.05495	4.7
81.03408	4.8
81.06598	1.1
81.07056	20.2
83.01339	0.7
83.04987	4.5
85.02901	9.5
85.06506	0.9
87.04456	1.5
91.03945	1.3
91.05458	1.6
93.07056	1.6
95.04946	1.5
95.08589	1.9
97.02898	7.0
97.06505	1.4
98.20786	1.2
98.97576	3.0
99.04455	3.5
99.08099	5.7
105.07012	2.5
107.04951	1.3
107.08575	1.6
109.02892	3.2
109.06525	1.1
109.10138	0.8
111.00787	0.9
111.04449	3.3
115.07550	2.2
116.14137	0.5
116.98663	0.6
117.06994	0.9
119.08576	1.7
121.02848	3.2
127.03925	9.3
127.07540	1.0
129.05464	1.6
129.09088	0.6
131.08607	0.6
133.10132	0.8
137.02316	1.6
140.98587	0.7
143.08530	0.9
145.04984	4.9
145.06120	0.8
145.06464	0.7
145.08571	1.3
147.04422	1.1
147.08008	0.7
147.11723	0.8
153.01822	4.4
153.09099	0.9
153.95958	0.5
157.06474	0.6
157.10088	2.1
158.10381	0.6
158.99649	1.6
161.09572	1.1
165.01799	1.8
171.10220	1.3
177.05453	0.5
179.03397	2.0
183.02861	1.0
184.07375	0.6
185.05974	0.7
189.09261	0.7
191.76883	0.6
199.09639	5.9
199.14815	0.6
200.15208	0.7
213.05452	0.9
217.10666	3.7
258.05267	1.2
287.05499	100.0
288.05734	1.0
291.03848	2.0
299.05493	1.7
311.05701	1.1
329.06509	3.0
341.10135	0.8
353.06488	1.3
380.89276	0.6
385.12766	1.8
395.07498	0.8
479.21362	0.6
487.18558	2.0
547.20074	1.2
547.28949	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	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.7
51.02378	1.2
53.03946	6.3
53.49749	0.7
55.01881	3.6
55.05516	27.3
57.03432	4.6
57.07078	4.9
61.05793	0.8
64.03177	0.7
65.03958	4.0
67.05510	79.4
69.03419	1.7
69.07075	29.9
71.05000	4.1
71.08637	29.6
73.08538	0.7
79.05499	72.8
81.03419	7.7
81.07064	94.7
82.07391	1.2
83.04988	12.6
83.08161	1.2
83.08624	17.0
85.02912	1.1
85.06522	3.2
91.05489	53.4
93.07050	85.0
95.04975	13.3
95.08615	49.1
97.06535	12.6
97.10161	6.2
99.07500	1.5
99.08101	22.0
103.05446	1.0
105.04502	3.3
105.07040	29.2
107.04971	8.1
107.08604	41.4
108.08843	1.2
109.06518	4.9
109.10165	14.7
111.08077	5.7
111.11721	1.3
113.09619	3.6
115.05447	1.2
117.07040	12.2
119.08586	21.6
121.06493	3.3
121.10149	31.5
123.08074	1.9
123.11690	3.3
125.09609	2.5
127.11219	1.2
129.07028	5.3
131.08574	12.4
133.06442	1.3
133.10150	15.5
135.08025	2.7
135.11705	32.5
137.09621	2.7
137.13197	1.0
139.11183	1.5
141.09090	3.6
143.08594	3.9
145.10126	5.6
147.08084	1.6
147.11713	10.5
149.09604	2.3
149.13272	17.9
151.11191	13.0
157.10101	3.6
159.11717	7.3
161.09627	1.4
161.12027	0.8
161.13271	11.5
163.11203	6.2
163.14795	3.3
167.10722	2.0
171.11681	5.8
173.13237	1.8
175.11206	1.1
175.14746	2.1
177.12718	4.7
179.14326	100.0
180.14679	1.2
181.12225	1.0
185.13225	3.6
189.11246	0.9
189.12759	3.7
193.12202	1.8
195.13843	4.5
199.09506	0.8
199.14775	2.2
203.14343	1.2
207.13808	3.4
213.16353	0.8
217.15967	0.8
221.15404	2.5
227.12796	2.6
229.19469	1.5
233.15416	1.4
235.16896	4.4
241.19455	1.5
251.16441	1.0
259.20651	3.8
277.21646	66.4
292.50745	0.8
295.22754	4.3
301.25375	1.1
351.25281	1.2
353.35516	0.8
453.33542	1.4
471.34567	1.6
527.37457	3.9
545.38300	63.6
546.38586	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02407	1.3
53.03942	5.8
55.01863	4.6
55.05512	29.9
57.03441	9.4
57.07070	2.9
59.04986	2.1
65.03938	4.1
67.05505	69.7
69.03436	4.8
69.07068	16.0
71.04990	6.9
76.52446	1.4
77.03937	2.1
79.05495	69.7
81.03420	53.2
81.07057	72.2
83.04990	11.2
83.08618	23.2
85.02910	20.9
85.06522	3.3
86.38696	1.4
86.41234	1.4
91.05485	56.5
93.07046	67.5
95.04970	24.1
95.08609	38.1
97.02911	1.9
97.06525	6.5
97.10179	10.8
105.04525	3.1
105.07030	41.0
107.04978	5.6
107.08598	33.0
109.06532	5.2
109.10148	17.4
111.08085	11.8
117.07024	12.1
119.08587	34.4
121.06519	3.1
121.10146	34.0
123.08086	5.5
123.11710	5.6
125.05984	1.5
125.09637	7.1
129.07033	11.2
131.08559	20.2
133.06502	3.2
133.10129	17.2
135.08147	1.7
135.11705	12.4
137.09636	1.8
137.13220	2.0
141.07162	1.6
142.07785	2.9
143.08606	3.6
145.10136	14.2
147.08110	2.2
147.11702	16.5
147.39734	1.5
149.09615	6.0
149.13240	7.0
151.11282	2.4
153.07190	1.4
155.08586	2.6
157.10150	11.5
159.11751	6.4
161.09615	1.5
161.13315	6.4
163.11143	2.2
163.14839	2.7
165.12779	2.6
169.10165	4.4
171.11664	3.1
173.13249	5.0
175.11194	9.1
175.14827	1.4
177.16533	1.3
183.11736	1.9
185.13326	4.1
187.14888	4.4
189.11229	2.0
193.12247	47.5
196.35240	1.7
199.14844	2.1
201.16399	2.4
211.13281	51.9
227.12830	5.0
229.14275	1.6
243.21121	2.9
249.14803	1.9
261.22122	8.3
267.15982	6.1
273.22266	1.4
285.22272	1.7
292.93088	1.6
301.25241	5.5
303.23260	2.1
321.46338	1.5
335.25858	5.5
381.29480	1.4
435.32596	6.0
453.33749	6.3
471.34879	3.7
527.37341	20.8
545.38367	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.5
53.03942	5.4
55.01853	3.6
55.05270	2.4
55.05513	28.2
57.03442	11.2
57.07053	2.3
60.61800	1.8
60.97186	1.8
65.03939	3.0
67.05508	56.4
69.03416	4.3
69.07070	16.7
69.81697	8.7
71.04984	5.9
77.03951	2.1
79.05498	55.4
81.02937	2.3
81.03420	46.0
81.06594	3.1
81.07063	60.0
83.04986	9.9
83.08620	22.7
85.02905	20.4
85.06540	3.1
85.41692	2.2
90.20753	1.8
91.05490	46.9
93.06485	3.4
93.07049	56.1
95.04971	19.6
95.08613	38.0
97.06527	6.6
97.10190	10.1
104.20533	2.0
105.04518	2.0
105.07040	39.7
107.04951	6.0
107.08598	29.3
109.06531	4.3
109.10162	14.7
111.08095	9.0
115.05496	2.4
117.07017	10.6
119.08587	28.1
121.06509	2.4
121.10149	25.6
123.08094	2.9
123.11699	6.5
125.09642	5.2
129.06984	10.1
131.08569	19.8
133.06534	3.1
133.10147	19.4
135.08069	2.7
135.11711	15.3
137.09653	2.5
143.08566	5.4
145.10152	14.9
147.08078	3.1
147.11682	15.5
149.09633	5.0
149.13271	5.4
151.11163	1.8
155.08623	2.0
157.10107	7.0
159.11716	7.6
161.09605	2.4
161.13254	3.6
165.12717	2.8
169.10130	1.9
171.11798	3.4
173.13319	5.8
173.73927	2.0
175.11234	11.9
175.14848	3.1
183.11703	2.5
185.13303	3.1
187.14854	4.3
189.11346	2.8
193.12273	47.6
199.14818	2.0
211.13304	41.9
211.40897	1.9
227.12885	3.6
261.22134	7.2
267.15906	7.0
269.17941	1.9
285.22040	2.4
301.25385	6.4
335.25912	4.8
359.26001	2.1
435.32541	5.8
453.33838	5.2
471.34723	3.8
509.36795	2.5
527.37360	20.3
545.38385	100.0
546.38361	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
55.01864	5.4
55.05270	3.3
55.05514	38.9
57.03446	11.2
57.07067	3.5
59.05013	3.0
65.03924	2.9
67.05510	79.4
69.03426	4.0
69.06783	1.9
69.07076	20.7
69.81517	5.6
69.81915	2.6
71.04981	4.5
71.08620	3.8
79.05498	50.6
81.03426	27.5
81.07059	75.0
83.04983	6.8
83.08627	19.0
85.02870	1.8
85.06541	3.8
91.05489	43.5
93.06487	3.1
93.07052	45.1
93.07635	2.4
95.04981	21.2
95.08614	44.0
97.06543	7.8
97.10169	22.4
98.21486	2.2
99.08078	2.2
105.07040	38.1
107.04943	8.2
107.08607	30.1
109.06537	4.5
109.10165	29.5
111.08068	5.0
117.07025	16.4
119.08582	30.0
121.06495	8.4
121.10144	18.8
123.08075	6.0
123.11691	8.3
125.09644	21.2
128.06204	3.2
129.06978	10.9
131.08585	28.9
133.10152	23.5
135.08052	8.0
135.11688	12.4
137.09604	5.1
141.07013	2.1
142.07745	3.1
143.08594	9.2
145.10133	17.0
147.08090	3.1
147.11690	17.3
149.09621	6.0
149.13240	9.0
151.11215	2.1
155.08549	6.4
157.10133	10.1
159.11696	16.5
161.13278	9.9
163.11241	4.2
163.14824	3.8
165.12827	3.4
169.10156	5.1
171.10326	2.2
171.11716	8.5
173.09572	2.0
173.13286	8.5
175.11230	6.2
175.14861	6.2
177.12668	2.5
183.11719	5.9
185.13243	7.5
187.11076	2.1
187.14857	7.2
189.11224	8.7
189.16374	3.9
193.12228	12.3
197.13322	2.4
199.14742	4.6
201.16370	2.8
203.14511	2.6
205.12190	2.3
209.13425	2.7
211.13206	3.9
223.14874	2.1
223.17058	2.0
227.12787	15.9
233.15662	2.7
243.21187	2.9
247.16951	2.0
249.14958	2.4
261.22147	13.1
267.15912	23.5
279.23196	2.4
285.22214	4.7
299.23718	4.1
301.21936	3.2
301.25244	21.7
303.23123	2.8
327.23251	2.3
329.21268	2.8
335.25806	18.8
359.25964	2.2
383.25989	2.1
417.26480	2.6
417.31552	4.7
421.25653	3.2
435.27368	2.5
435.32764	9.6
453.33762	14.8
454.34137	1.9
471.34961	14.9
509.36328	4.2
527.37384	63.3
545.38403	100.0
546.39038	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.7
55.01868	5.0
55.05272	2.1
55.05515	31.5
57.03438	12.3
57.07080	2.5
58.13243	1.7
59.04987	2.3
65.03940	3.5
65.85800	1.4
67.05506	68.4
68.85096	1.5
69.03420	4.8
69.06788	1.7
69.07076	18.8
71.04992	6.3
79.05492	59.7
80.64608	1.4
81.03417	40.1
81.07060	64.5
83.04970	10.0
83.08617	24.6
85.02906	16.0
85.06528	3.0
91.05482	48.3
93.07044	57.0
95.04963	25.8
95.08607	41.0
97.06536	6.2
97.10165	9.9
99.08097	1.9
103.64294	1.6
105.04529	3.0
105.07033	36.7
107.04945	4.9
107.08598	27.4
107.09321	2.7
109.06531	4.4
109.10158	19.0
111.04459	2.3
111.08097	8.8
113.06013	1.5
115.05450	2.8
117.07042	12.4
119.04975	2.0
119.08583	29.6
121.06524	5.2
121.10150	25.7
123.08107	4.3
123.11729	5.8
125.09624	9.6
128.06302	1.8
129.07027	11.6
131.08580	26.9
133.06531	3.2
133.10126	18.8
135.08049	2.3
135.11707	13.9
137.09601	2.4
142.07835	3.1
143.08601	6.0
145.10130	16.1
147.08081	2.6
147.11685	18.3
149.09631	5.1
149.13261	6.0
155.08614	3.9
157.10139	11.3
159.11708	11.9
161.09662	1.9
161.13260	4.6
171.11740	4.7
173.13298	6.5
175.11174	10.8
175.14839	3.8
177.12849	2.5
183.11690	4.3
185.13290	3.5
187.14816	3.0
189.11221	4.0
193.12233	39.6
197.13295	3.4
199.14806	2.7
209.13109	1.7
211.13281	36.9
218.28925	1.7
227.12833	4.4
261.22137	10.6
267.15915	12.1
285.22031	3.3
299.23743	3.0
301.25330	8.0
335.25980	6.2
417.31787	1.8
421.25861	1.9
435.32608	5.8
453.33554	8.6
471.34604	4.6
527.37280	26.3
545.38373	100.0
546.38696	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.2
51.25875	1.1
53.03951	8.7
55.01866	4.9
55.05515	37.2
57.03438	13.3
57.07070	3.3
58.09238	1.1
59.04998	1.4
65.03635	1.3
65.03934	6.0
67.05508	81.5
69.03436	6.4
69.06731	1.9
69.07069	18.9
70.03060	4.0
71.04992	5.1
71.08619	1.8
72.70820	1.2
77.03920	2.5
77.35008	1.1
79.05498	77.7
81.02937	2.3
81.03423	54.4
81.07062	75.4
83.04984	13.9
83.08145	2.2
83.08626	28.6
83.09115	1.5
85.02908	24.3
85.06540	3.7
87.45080	1.2
91.04900	2.3
91.05487	65.1
93.07048	74.5
95.04974	27.5
95.08609	43.7
97.02884	1.9
97.06543	7.2
97.10188	8.3
99.08125	1.6
103.05488	1.8
105.04561	2.0
105.07039	45.7
107.04963	7.3
107.08601	37.4
109.06527	5.2
109.10165	19.4
111.04456	1.9
111.08091	13.6
111.11749	1.4
113.06023	2.2
115.05440	2.5
117.07014	11.5
119.08587	37.1
121.06523	3.9
121.10147	33.5
123.08068	3.6
123.11724	7.1
125.09650	6.3
128.06267	1.4
129.07011	11.7
131.08575	27.9
133.06514	2.9
133.10139	24.3
135.08078	3.3
135.11696	17.0
137.09653	2.9
137.47815	1.1
139.11234	1.5
142.07780	2.2
143.08617	5.2
145.06586	1.4
145.10143	16.4
147.08078	3.2
147.11697	17.8
149.09598	6.1
149.13303	7.5
151.11208	3.1
155.08598	2.5
157.10136	15.6
159.08138	1.1
159.11678	9.7
161.13275	5.3
163.11234	3.3
165.12794	2.6
169.10175	4.0
171.11720	5.2
173.13245	6.0
175.11208	11.7
175.14854	4.1
181.10114	1.3
183.11710	2.1
185.13329	3.5
187.14891	3.8
189.11261	3.4
189.16429	2.0
193.12251	50.1
197.13283	1.7
199.14864	3.8
201.16513	2.2
209.13129	1.5
211.13306	45.9
227.12851	4.5
243.21028	2.6
261.22116	7.3
267.15894	8.6
277.21701	1.4
285.22171	2.9
301.21960	1.9
301.25159	6.7
303.22974	1.2
317.24701	2.3
335.25949	5.0
337.25522	1.4
357.27924	1.3
359.25803	1.8
435.32648	4.1
453.33643	7.4
471.34836	5.0
509.35889	1.9
527.37402	25.1
545.38428	100.0
546.38599	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.5
67.05521	0.8
69.03429	0.6
69.07059	0.4
70.06585	0.4
71.50887	0.5
81.07067	1.1
85.02895	0.6
93.07040	0.5
94.85865	0.3
95.08623	0.4
97.02884	0.5
105.07042	0.6
107.08611	0.3
119.08559	0.5
121.10143	0.4
125.23868	0.4
133.10123	0.3
143.08624	0.3
147.04344	0.4
147.11659	0.4
153.01828	1.1
177.05472	0.4
201.11244	0.5
203.05310	3.6
225.98537	0.4
309.44864	0.3
317.66467	0.4
343.17313	2.2
357.30643	0.4
361.13495	0.4
365.26645	9.3
383.07520	0.4
383.27911	0.6
430.10364	0.4
545.19592	2.6
545.33014	100.0
546.33508	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	545.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31852	0.3
56.62754	0.4
67.05499	0.5
69.03424	0.6
69.07066	0.4
70.06594	3.5
71.06912	0.5
71.51649	0.5
79.05477	0.7
81.03410	0.6
81.07043	1.0
83.66090	0.3
85.02913	1.0
91.05495	0.7
93.07058	1.0
95.08629	0.6
97.02883	0.7
105.07045	0.8
107.08590	0.4
109.06537	0.4
121.02885	0.7
133.10133	0.4
135.11684	0.5
143.08546	0.8
153.01825	1.0
155.58234	0.3
157.10127	0.9
194.37219	0.4
199.14893	0.7
313.07266	0.4
314.07465	1.4
325.07114	0.6
326.07516	1.5
383.12817	0.8
383.27594	1.0
527.28802	0.3
545.32990	100.0
546.33539	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.3
55.01865	7.4
55.05269	2.6
55.05511	31.7
57.03438	8.1
57.07073	2.9
60.00951	1.8
61.53486	1.6
64.31484	1.7
65.03943	3.4
67.05507	55.5
67.39616	1.5
69.03436	5.2
69.07074	17.9
71.04992	2.8
78.46432	1.8
79.05144	1.0
79.05495	42.8
81.03422	23.5
81.07058	61.5
83.04986	7.5
83.08615	17.2
85.02928	1.8
85.06528	3.5
91.05484	33.2
93.07051	34.8
95.04967	17.6
95.08616	34.8
97.06525	5.3
97.10167	20.4
99.08112	3.2
104.53780	2.0
105.07034	29.0
107.04964	5.7
107.08597	28.8
107.95359	1.8
109.06537	6.0
109.10163	25.9
111.08118	5.1
117.07021	12.7
119.08596	24.2
121.06516	7.2
121.10139	17.5
123.08092	5.1
123.11696	8.3
125.09615	13.9
129.07024	12.6
131.08560	23.2
133.10146	21.9
135.08093	5.6
135.11679	10.6
137.09634	3.6
137.13228	2.1
143.08578	10.8
145.06538	3.4
145.10132	22.6
147.08099	4.3
147.11739	14.2
149.09657	5.1
149.13243	6.2
155.08589	3.7
155.10532	1.9
157.10165	12.7
159.08086	3.1
159.11728	13.9
161.09604	3.4
161.13298	4.1
163.11211	4.0
163.14763	3.7
165.12772	1.9
169.10194	4.0
171.10300	3.4
171.11743	6.2
173.13261	12.4
175.11208	4.8
175.14813	4.3
177.12793	2.5
183.11790	5.2
185.13264	6.7
187.14870	5.5
189.11263	10.7
193.12262	9.4
197.13361	2.5
199.14897	2.2
201.16501	2.3
211.13229	2.7
213.16467	2.3
223.14935	1.8
227.12730	12.0
233.15338	3.0
239.18077	2.1
243.21051	3.5
259.20593	2.9
261.18530	2.4
261.22208	13.3
267.15979	24.3
279.23282	3.3
285.22153	4.1
287.20065	2.3
299.23813	2.3
301.25229	18.3
303.23242	2.4
317.24979	2.8
327.23206	2.4
329.21118	2.3
335.25885	12.4
359.25699	2.8
373.27502	1.8
417.31628	3.0
435.32816	6.7
453.33679	18.0
471.34695	11.7
509.36099	2.1
527.37354	57.7
545.38440	100.0
546.38464	4.3
556.09778	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02449	0.4
67.05496	1.0
68.39019	0.5
69.03448	0.8
70.06590	1.0
70.92747	0.5
71.51502	0.9
79.05474	0.7
81.03449	0.8
81.07050	0.6
83.08585	0.6
84.08123	0.8
85.02901	1.5
88.85491	0.5
91.05480	0.8
93.07021	0.6
97.02898	0.7
97.06556	0.6
105.03403	0.6
105.06998	0.8
107.08615	0.5
109.02878	0.7
109.10196	0.9
127.03885	0.7
135.11682	0.8
137.09685	0.5
149.05962	0.6
153.01862	1.8
163.11171	0.6
177.05605	0.6
203.03690	0.5
203.05275	3.2
253.10196	0.8
262.86169	0.6
287.05530	1.4
343.17355	2.2
365.26672	15.5
383.27728	1.0
545.33014	100.0
546.33569	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	545.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60481	0.3
54.95979	0.3
67.05504	0.5
69.03427	0.5
69.07070	0.4
70.06602	6.3
71.06927	1.4
71.11667	0.8
79.05486	0.5
81.07049	0.6
85.02891	0.8
88.80830	0.3
91.05471	0.4
93.07034	0.4
95.08606	1.0
95.16744	0.3
97.02888	0.6
105.07059	0.6
107.08618	0.5
121.02874	1.2
121.10151	0.6
122.03251	0.4
147.04463	0.4
153.01854	0.5
157.24838	0.3
174.29634	0.3
194.12360	0.3
210.75589	0.3
310.06268	0.3
313.07211	1.0
314.07498	1.5
325.07104	1.4
326.07404	2.8
352.67484	0.3
383.13098	1.2
383.27661	0.6
394.32608	0.4
498.43494	0.3
515.31769	0.4
545.33002	100.0
546.33533	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	545.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01858	1.4
56.73445	0.4
57.03442	2.4
61.02931	0.6
67.05505	0.7
69.03408	1.1
70.06593	0.8
70.68744	1.3
71.01351	0.7
73.02934	0.8
79.05484	1.7
81.03411	0.8
81.07042	1.3
85.02914	2.7
91.05498	1.2
93.07030	1.0
95.04955	0.6
95.08607	0.6
97.02884	1.6
97.17494	0.5
105.07028	1.0
107.04964	7.9
107.08619	0.8
109.10166	1.0
121.10120	1.0
127.03934	0.5
129.03145	1.5
133.10101	0.7
140.09084	0.5
145.08537	0.5
145.10182	0.5
153.01830	1.4
175.14931	0.7
185.09737	0.6
229.06877	1.1
277.39835	0.5
317.08453	13.0
413.12106	0.5
423.12494	1.3
544.31995	2.9
545.16278	100.0
545.32782	9.6
546.16876	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	544.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.8
55.01888	2.4
55.05507	6.4
58.13006	1.9
58.60851	2.2
67.05511	10.2
69.03435	7.7
69.07060	8.9
69.80959	7.3
70.06599	51.1
70.41817	1.9
71.04997	5.9
79.05506	14.3
81.03420	13.6
81.07060	26.6
83.05003	4.9
83.08629	4.1
85.02910	5.9
85.06548	100.0
91.05492	12.9
93.07050	44.7
95.04975	3.5
95.08615	12.5
97.02906	10.2
97.06539	31.1
97.10188	2.2
99.04442	5.1
105.07037	18.2
107.05019	3.0
107.08591	26.0
109.02866	5.7
109.10186	5.8
111.04460	3.4
111.08085	4.4
117.07029	5.0
119.04951	2.5
119.08582	26.6
121.02884	9.2
121.06529	5.2
121.10157	49.2
123.08043	5.5
123.11749	2.6
125.02394	4.5
125.09638	2.8
127.03920	14.0
129.06964	2.9
131.08598	6.8
133.10132	13.7
135.08138	3.0
135.11682	4.8
137.05916	3.4
143.08592	2.4
144.09331	2.4
145.10130	4.8
147.08049	2.8
147.11697	7.0
149.09621	2.5
149.13272	37.9
151.11232	2.8
153.01816	7.2
155.08603	2.5
159.11681	14.8
161.13280	9.4
163.11208	3.0
165.12820	2.0
167.14314	6.7
175.11156	6.6
177.09149	2.4
177.12762	30.7
179.14371	10.1
187.11157	2.4
189.12784	6.0
191.03432	3.4
191.14337	2.7
193.12300	6.8
194.74821	2.0
195.02940	2.4
195.08092	2.6
195.13824	38.9
203.05392	2.3
207.13800	5.1
213.14899	4.6
219.13840	3.6
223.13086	2.1
236.72389	2.3
237.14886	2.1
240.66110	2.0
247.13469	2.4
261.14923	3.1
261.47388	2.0
273.14984	3.3
285.14801	4.9
297.07516	3.5
303.15970	10.9
313.07059	19.4
321.17004	23.7
325.07071	30.1
339.18124	20.5
357.19250	3.7
364.25107	2.0
382.12659	11.6
544.18091	7.8
544.31787	37.3
545.33063	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	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01869	2.7
55.05273	1.6
55.05518	20.4
57.03439	4.4
57.07074	1.6
59.04998	1.6
65.03942	2.8
67.05507	28.8
69.03426	1.6
69.07072	9.4
71.04989	2.3
73.91775	0.7
79.05496	22.8
81.03422	8.3
81.07061	24.4
83.04992	3.1
83.08626	9.4
85.06555	2.2
91.05486	24.5
93.07043	19.8
95.04961	7.4
95.08618	15.1
97.06544	2.2
97.10183	9.1
99.08085	1.4
103.05488	0.9
105.04539	0.7
105.07034	20.4
107.04964	4.6
107.08592	12.8
107.09289	0.8
109.06520	3.0
109.10155	10.4
111.08082	3.5
115.05470	2.5
117.07031	10.9
119.04961	0.8
119.08592	14.6
121.06509	3.1
121.10140	7.2
123.08092	2.4
123.11713	2.9
125.09640	6.6
128.06226	2.7
129.07018	10.8
130.07838	2.0
131.08575	16.7
131.09532	1.1
133.06485	1.7
133.10138	9.8
135.08090	3.2
135.11664	3.7
137.09631	1.4
141.07037	4.0
142.07840	1.6
143.08577	12.0
145.06512	1.4
145.10123	13.3
147.08055	2.8
147.11700	7.3
149.09669	2.0
149.13298	2.6
151.11113	0.9
153.07068	0.9
154.07797	1.2
155.08548	7.6
157.06573	0.9
157.10130	10.6
159.08157	4.1
159.11702	9.7
161.09653	1.6
161.13246	3.6
163.11139	1.7
165.12843	0.9
166.07829	1.0
166.31696	0.8
167.08594	2.5
169.10109	8.1
171.08090	3.2
171.11691	7.6
173.09665	2.3
173.13210	3.9
175.11217	3.0
175.14819	1.7
179.08632	1.3
179.14369	1.4
180.09526	1.0
181.10147	4.5
183.08182	1.1
183.11690	5.6
185.09627	2.6
185.13263	6.9
187.11160	1.6
187.13347	1.0
187.14865	3.0
189.11227	2.8
189.12738	1.4
191.08539	0.8
193.10313	1.7
193.12303	2.5
195.11743	4.8
197.13300	4.5
199.11195	1.5
199.14822	4.3
201.12741	1.9
201.16348	1.7
207.11749	1.3
209.13307	3.2
211.14880	2.7
213.12833	1.7
213.16495	1.4
215.14268	0.8
217.15875	0.8
218.10858	0.8
219.11650	1.2
221.13242	1.1
223.14940	2.3
225.16446	1.0
227.12675	1.8
229.14349	1.7
231.47711	0.7
233.15479	0.9
235.14867	1.4
237.16493	1.4
241.15836	1.0
241.19595	1.9
243.51225	0.8
247.17012	0.8
257.19061	2.0
259.20508	3.8
263.17877	1.2
267.15848	4.0
271.20721	0.8
275.20154	2.8
277.21896	1.1
281.22232	0.8
283.20660	2.4
285.18921	0.8
297.22168	2.3
299.20612	1.1
299.23590	4.7
301.21585	1.8
307.20541	1.1
309.22217	1.0
313.21628	1.6
315.23380	1.3
325.21799	2.0
327.23056	1.3
331.22720	1.6
333.24225	1.7
335.23471	1.4
339.23190	1.9
341.25055	1.0
371.25848	1.0
415.29764	2.3
423.32578	2.3
433.31107	8.5
451.32104	11.0
469.33115	4.6
471.31439	0.8
487.34351	1.2
489.34915	0.8
507.34732	1.8
515.37433	2.1
525.35785	18.6
543.36841	100.0
544.37061	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42340	0.4
56.64428	0.4
58.61861	0.4
59.57105	0.4
59.90160	0.4
64.13930	0.4
70.99011	0.9
94.01942	0.4
97.23855	0.4
110.18235	0.4
118.14323	0.4
160.51811	0.4
181.05470	0.4
269.78973	0.5
363.06940	0.8
381.07953	17.4
461.85434	0.4
543.13257	100.0
544.13641	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
57.03428	0.7
61.30828	0.8
64.75835	0.7
69.03419	2.9
70.06601	1.0
71.09204	1.0
71.09544	1.0
71.46072	0.8
72.95514	0.7
74.78471	0.7
79.01857	2.8
81.03423	5.2
81.07049	1.1
84.08154	1.4
85.02909	5.2
95.08601	1.2
97.02914	3.8
99.04465	0.8
105.07101	0.6
107.01333	2.2
109.02885	4.5
109.10175	0.9
113.03526	0.8
121.02895	2.0
125.02342	3.0
127.03930	6.7
133.10155	0.8
143.03389	4.3
150.58473	0.7
153.01836	100.0
153.02847	4.5
154.02139	1.1
164.57239	0.7
171.02896	12.0
229.11917	1.2
261.12653	2.0
279.05011	0.9
297.06146	5.4
315.07108	13.2
381.14609	2.8
382.51196	0.7
385.64642	0.7
506.21613	0.8
543.25067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.9
53.03954	4.6
54.34534	1.1
55.01870	3.8
55.05516	16.2
57.03434	2.8
57.07080	1.4
58.54800	1.0
65.03950	2.3
66.05908	0.9
67.05508	36.7
69.03416	1.7
69.07079	11.5
69.22472	9.4
71.04984	3.4
73.41666	1.0
77.03946	1.9
79.05499	50.0
81.03411	3.4
81.07062	40.0
83.04986	3.3
83.08617	8.5
85.06557	1.3
91.05493	24.6
91.94572	1.0
93.07052	65.4
95.04975	8.2
95.08613	47.4
97.02886	2.7
97.06531	3.8
97.10169	1.9
99.04489	4.6
103.05446	1.2
105.04536	1.6
105.07039	15.6
107.04964	7.5
107.08601	37.9
109.06551	2.3
109.10162	9.0
111.04478	1.6
111.08100	2.8
113.06001	1.3
115.05403	1.4
117.07032	14.3
119.08589	15.5
121.06532	5.4
121.09320	2.1
121.10149	21.6
123.11691	2.1
125.06023	2.8
125.09692	1.5
129.07047	1.8
130.07777	1.6
131.08565	7.2
133.10143	9.7
135.08195	1.1
135.11702	48.1
139.07620	1.0
143.08580	3.0
145.10126	27.8
147.11705	3.4
149.13263	4.5
153.12750	1.0
157.10162	1.2
159.11720	2.8
161.13232	2.4
163.11192	55.0
169.40814	1.0
171.46860	1.0
173.13313	2.4
179.14397	1.4
181.12248	12.8
209.11694	2.4
227.12793	100.0
243.21341	1.2
261.22241	6.2
275.20050	1.4
283.15503	1.2
317.24832	2.4
451.32718	1.5
469.33261	1.2
525.35657	2.9
543.36847	53.9
544.37311	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.5
58.38522	0.5
69.03436	1.1
71.51095	0.8
71.70454	0.5
79.05516	0.7
79.77944	0.5
81.03383	0.7
85.02899	1.9
91.05484	1.6
97.02911	1.1
98.97593	3.6
103.05476	7.8
107.04954	2.1
109.02907	1.0
110.03541	0.5
110.97576	0.6
115.77203	0.6
119.04945	1.7
120.08115	100.0
127.03833	0.7
127.08102	0.5
128.98619	0.8
131.04962	2.5
135.04431	0.8
136.06079	1.2
137.05959	1.0
147.04393	3.6
149.05934	3.0
153.01851	2.0
166.08655	47.7
177.00732	1.1
179.07047	2.2
219.01979	0.9
237.02927	1.1
241.46976	0.6
275.01981	0.8
295.01343	0.6
303.01434	1.9
314.35245	0.6
394.99130	0.9
424.80029	0.7
428.03928	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85946	4.4
52.01545	4.9
54.57716	5.7
55.05516	11.5
57.03437	18.1
57.07080	37.7
67.05515	54.7
69.07059	16.1
69.27748	14.8
69.28172	32.4
71.08627	22.7
79.05494	29.1
81.07059	69.0
83.04980	6.4
83.08615	18.0
85.10178	11.3
88.21349	4.6
89.06041	9.8
90.21455	5.3
90.87267	4.4
91.05479	17.3
93.07054	44.2
95.05015	5.7
95.08594	33.9
95.94264	4.3
97.06505	6.5
97.10181	5.6
99.08073	5.1
107.08601	14.1
109.10178	12.6
117.06972	6.6
121.10141	10.9
122.73043	4.7
131.08554	9.3
133.10124	7.6
135.11743	8.2
140.44159	5.6
143.24188	5.1
149.13232	25.1
159.11736	9.1
195.13849	10.8
256.26370	6.9
257.26767	7.5
269.17502	100.0
313.27350	66.7
313.30554	4.5
337.13141	4.6
507.40533	75.0
542.54407	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45190	0.5
70.14410	0.8
70.14797	0.9
112.89592	2.7
114.89328	1.4
136.98956	0.5
145.45401	0.7
192.68681	0.5
284.58969	0.6
336.45728	0.6
363.06857	1.5
381.07916	18.5
543.13226	100.0
544.13751	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18623	0.9
53.03952	3.7
53.53123	0.9
55.01876	1.7
55.05515	19.2
57.03436	3.4
57.06823	1.4
57.07079	13.1
58.06598	2.0
58.07413	1.6
60.63982	1.1
65.03944	2.1
67.05508	36.9
67.96593	0.9
69.07077	13.2
69.61264	1.1
69.91384	2.3
69.91798	2.6
70.06590	8.4
71.04980	2.7
71.08651	7.0
71.08990	1.2
73.02895	1.0
79.05499	31.7
81.03407	3.1
81.07061	34.7
83.04995	3.3
83.08625	10.6
85.06523	2.3
85.10191	3.6
88.07633	11.4
89.06078	1.0
91.05486	26.4
93.07048	28.6
95.04998	5.2
95.08610	25.7
97.06530	2.8
97.10181	5.0
99.08076	1.2
102.09176	8.4
105.04527	1.5
105.07036	20.8
105.07696	2.0
106.08635	1.0
107.04968	2.6
107.08611	14.6
109.06537	2.2
109.10159	11.1
111.08088	1.8
113.09647	1.1
115.05455	2.1
117.07009	11.3
119.08588	16.5
121.06538	1.4
121.10136	8.6
123.08105	3.2
123.11742	2.6
125.09628	1.7
128.06262	3.8
129.07013	15.8
131.08578	23.0
131.09517	1.2
133.10139	9.3
135.08093	1.8
135.11736	4.1
139.07471	1.1
141.07011	6.6
142.07823	3.7
143.08571	21.1
145.10130	18.7
147.08113	1.6
147.11682	7.7
149.13321	3.9
151.11250	1.4
153.01932	1.0
153.07071	1.4
155.08536	12.8
156.09398	2.9
157.10139	14.4
159.11742	7.1
161.13240	4.6
163.11182	1.1
163.14787	2.3
166.07863	1.3
167.08601	3.3
168.09402	1.3
169.10114	14.3
171.11691	13.4
173.13347	5.3
175.14812	1.5
179.08627	1.1
180.09425	1.2
181.10110	6.1
183.11719	9.1
185.13257	7.1
187.14893	3.9
189.12782	1.9
193.10179	2.2
195.11711	6.1
197.13275	7.1
199.14725	4.7
201.16443	2.4
207.11757	2.8
207.13904	4.1
209.13359	3.6
211.14737	5.5
213.16508	3.3
217.25012	1.1
221.13199	2.0
223.14984	2.5
225.16463	3.7
226.49565	0.9
227.18098	1.5
233.13371	1.5
235.15021	2.1
237.16426	2.7
239.18068	3.7
243.21204	2.8
249.16333	1.3
251.18095	1.3
253.19609	1.0
256.26370	18.1
257.26755	9.8
261.22183	2.4
273.18472	1.2
274.27515	2.4
281.17468	1.3
283.26483	4.1
284.26697	2.7
284.29620	3.5
285.18494	1.2
285.29944	2.5
297.22134	1.2
299.20294	1.6
309.22153	1.1
311.23737	1.1
311.29434	13.9
311.32861	1.5
312.29871	11.3
317.24731	2.4
323.23996	1.5
325.25323	1.8
337.25415	1.2
339.26968	1.4
353.25012	1.4
355.26575	1.5
365.24817	1.4
367.26514	1.6
379.26761	1.5
381.28052	1.0
431.33261	6.3
439.36044	1.1
449.34274	19.3
450.34839	1.2
467.35406	5.9
485.36322	2.8
505.37012	1.4
523.37982	11.0
540.53540	11.8
541.39075	100.0
541.53705	56.1
542.39514	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	541.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	1.7
51.02369	1.9
53.03952	10.5
55.01870	2.8
55.05516	27.1
57.03428	3.9
57.07080	6.7
60.68925	0.8
64.05834	0.8
65.03950	5.7
67.05510	83.8
69.03422	1.9
69.07075	18.9
70.06592	3.9
71.04995	3.0
71.08625	3.0
73.06561	2.8
77.03949	2.4
79.05499	100.0
81.03428	8.5
81.07063	74.7
83.04986	11.7
83.08633	10.7
83.91422	0.9
85.06566	3.2
85.10177	1.3
88.07626	3.6
91.05487	73.0
93.07051	91.5
95.04976	18.6
95.08616	46.9
95.09246	1.5
97.02881	1.0
97.06534	6.2
97.10182	6.0
99.08079	1.3
102.09194	2.8
103.05486	1.1
105.04530	3.1
105.07037	50.7
107.04963	8.6
107.08602	32.6
109.06543	5.6
109.10156	13.5
111.08092	2.7
114.73051	0.9
115.05437	1.6
116.06223	0.8
117.07024	12.4
118.84940	0.8
119.08590	28.2
121.06522	2.6
121.10159	21.1
122.57763	0.9
122.74761	0.8
123.08073	6.0
123.11739	1.9
125.09629	1.2
128.06226	2.8
129.07014	18.4
130.07825	1.1
130.45726	0.9
131.08583	15.3
133.06549	1.0
133.10141	18.3
135.08069	1.1
135.11711	11.5
137.09671	1.9
141.07005	1.5
142.07809	1.5
143.08588	10.2
145.10144	16.9
147.08054	2.9
147.11697	36.0
149.13292	5.8
151.11252	1.0
155.08614	4.3
157.10150	4.7
159.11700	6.6
161.09683	4.8
161.13295	14.1
163.11279	1.0
163.14877	1.7
167.08575	1.3
169.10161	3.3
171.11700	27.2
173.13310	5.5
175.14813	2.0
179.14372	1.3
181.10080	1.5
183.11778	2.7
185.13324	2.8
187.14880	2.1
189.12767	10.8
195.11728	1.0
197.13292	2.5
199.14879	1.8
207.13818	29.2
209.13318	1.4
223.14886	0.9
225.14845	1.5
243.21228	1.6
256.26361	7.1
257.26828	2.8
261.22275	5.8
274.27383	0.9
281.17618	2.4
283.26468	1.2
311.29449	4.5
312.29929	3.9
317.25052	2.0
335.26001	1.3
431.33121	2.1
449.34372	4.7
456.82388	0.9
467.35339	1.2
485.36551	1.3
523.37781	2.7
540.53601	6.6
541.38989	87.4
541.53278	20.3
542.39044	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	1.3
50.72559	1.4
51.02388	2.0
53.03946	11.5
55.01877	12.9
55.05265	2.4
55.05513	28.4
57.03440	3.4
57.07076	2.9
65.03941	5.9
67.05505	60.9
69.03426	4.0
69.07072	42.2
69.13435	1.3
69.40968	10.6
71.04983	6.1
73.06540	1.3
73.28940	1.3
74.68620	1.2
76.11708	1.0
79.05496	58.8
81.03422	94.8
81.07061	63.8
83.04992	11.8
83.08625	23.7
85.06574	2.7
91.05486	79.5
93.07047	46.8
95.01333	12.5
95.04974	32.3
95.08613	37.4
97.02894	2.4
97.06536	20.4
97.10165	9.0
99.08099	1.7
103.05502	2.8
105.04559	1.9
105.07036	84.3
107.04961	27.5
107.08588	22.1
109.06558	5.9
109.10156	12.1
111.04456	2.7
111.08115	6.7
114.64023	1.3
115.05488	4.8
117.07027	22.8
119.08588	50.4
121.06523	6.2
121.10165	13.9
121.31158	1.2
123.04458	2.7
123.08112	6.0
123.11710	3.4
125.09669	6.5
128.06218	4.5
129.07019	18.4
130.07906	1.7
131.08578	35.5
133.06514	7.3
133.10143	43.1
135.08017	6.4
135.11678	7.8
137.09621	4.6
139.07526	1.6
141.07008	6.5
142.07816	4.6
143.08533	8.7
145.06525	4.7
145.10129	21.9
147.08049	4.3
147.11700	22.8
147.15036	1.3
149.09651	12.2
149.13287	3.9
151.11191	2.0
155.08589	6.1
157.10120	14.0
159.08099	4.5
159.11684	14.0
161.09682	2.4
161.13251	6.1
163.11125	7.7
165.07014	1.4
165.09106	1.6
165.12749	3.2
167.08591	1.9
168.09283	1.5
169.10159	9.0
171.08055	1.8
171.11696	8.1
173.09717	2.8
173.11917	1.5
173.13246	5.9
175.11203	6.2
177.12811	5.0
179.14313	21.2
181.10069	2.6
183.11609	6.8
185.09654	2.0
185.13293	4.3
185.14973	1.2
187.11189	5.2
187.14870	2.6
189.11235	2.0
193.12231	15.7
195.11774	2.1
197.13321	4.0
199.11256	2.5
201.12677	2.5
205.12250	2.9
207.11874	2.2
207.13811	2.1
219.17598	1.3
229.19666	2.1
239.14345	1.5
239.18011	4.6
241.14346	1.3
242.51357	1.2
247.20604	3.4
249.14874	2.7
257.19077	9.0
267.16168	3.0
275.20074	94.9
276.20447	1.7
293.21124	9.6
295.20370	1.6
297.22131	1.8
337.21729	1.4
349.24014	2.7
372.03986	1.3
431.29880	3.2
449.30856	5.9
467.31616	4.3
505.33325	1.5
523.34436	4.4
541.35321	100.0
542.35333	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05502	1.1
55.38738	0.8
56.80303	0.6
67.05475	2.5
69.03428	3.7
69.07075	3.1
70.06564	0.7
70.39994	1.4
70.40363	1.3
71.04965	2.5
79.01875	3.7
79.05479	2.5
79.35072	0.6
81.03419	5.7
81.07059	6.2
83.08585	1.1
85.02891	3.8
85.06530	2.6
91.05473	1.2
93.07053	6.3
95.08625	3.6
97.02899	4.7
99.04461	7.6
105.07024	2.4
107.01336	1.5
107.08582	3.8
109.02875	5.3
109.06496	1.0
109.10162	3.4
114.81976	0.8
117.07011	0.6
119.08567	1.1
121.10150	6.9
123.08061	1.9
123.11707	2.8
125.02357	2.5
125.09627	1.7
127.03949	5.8
133.10153	3.4
135.08055	1.1
135.11664	1.6
137.09625	1.4
139.11205	1.3
143.03430	4.9
145.04951	1.0
147.11696	0.6
149.09628	95.6
149.13249	1.7
150.09981	1.1
151.11206	1.7
153.01839	100.0
153.02878	5.4
154.02217	1.0
159.11765	0.8
163.14853	1.2
169.12352	1.2
171.02892	9.9
171.13872	0.8
173.13350	1.6
175.14862	0.9
183.13861	3.2
191.14313	6.7
197.85701	0.7
209.15381	10.9
227.16402	8.8
243.13405	0.8
247.09506	0.8
271.59872	0.7
289.25214	1.1
297.06021	5.7
307.26501	1.5
309.47916	0.7
315.07074	7.2
315.10364	0.8
343.28671	0.8
541.21094	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
53.03952	5.6
55.01880	6.9
55.05515	22.8
57.03434	4.5
65.03963	2.0
65.16405	0.9
67.05509	31.3
68.66150	1.3
69.03444	2.8
69.07072	14.8
69.45210	8.0
71.04995	3.5
79.05499	30.6
81.03425	29.4
81.07063	29.3
83.04977	4.5
83.08624	11.6
85.06553	2.2
91.05487	27.0
91.05927	1.0
93.07043	19.4
95.04978	16.6
95.08611	17.7
97.02919	1.1
97.06560	5.6
97.10180	9.6
103.05443	1.2
105.03442	1.2
105.04547	1.3
105.07041	25.7
107.04961	6.1
107.08604	15.8
109.06538	4.6
109.10163	9.4
111.08080	2.5
115.05457	3.0
116.06268	1.3
117.07002	11.0
119.04945	1.4
119.08585	17.0
121.06538	5.8
121.10155	7.0
123.04429	1.1
123.08089	3.4
123.11721	2.5
123.44293	1.0
125.09661	7.2
128.06277	2.7
129.07024	10.8
129.19385	1.1
130.07784	1.8
131.08582	14.9
133.06493	4.8
133.10144	15.5
135.08084	4.9
135.11690	2.9
137.09630	3.0
141.07011	4.2
142.07826	4.4
143.08582	8.7
144.09474	1.1
145.06508	5.4
145.10141	11.7
147.08072	3.4
147.11705	8.0
149.09624	5.7
149.13297	1.6
151.11171	1.4
153.07025	1.9
153.09177	1.2
154.07851	1.6
155.08562	6.3
157.06480	1.7
157.10127	10.8
159.08075	3.5
159.11710	9.1
161.09700	1.9
161.13292	3.7
163.11172	5.2
164.82407	1.1
167.08630	3.4
169.10103	5.9
171.08176	2.1
171.11688	7.0
173.09691	3.2
173.11841	1.5
173.13307	2.3
175.11229	4.1
177.12773	1.4
178.07777	1.3
179.14296	2.6
181.10204	4.2
183.08061	1.7
183.11665	5.3
185.09660	2.1
185.13235	2.6
185.70291	1.1
187.11212	3.3
189.11270	3.2
189.24391	1.0
193.10518	1.6
193.12245	10.9
195.11765	3.1
197.09666	2.0
197.13268	5.0
199.11243	2.9
199.14886	2.6
201.12772	2.1
207.11810	1.6
209.13333	2.8
211.11255	2.2
213.12756	1.8
219.13980	1.3
221.13396	1.9
223.14992	1.5
225.12785	1.3
227.12656	1.6
239.18071	3.2
249.14838	1.4
257.19089	4.7
267.15894	1.8
273.15030	1.4
275.20105	22.2
281.18997	1.5
293.21280	2.3
295.20679	1.7
297.19037	1.6
297.22168	2.4
299.20236	4.0
329.21198	1.8
331.22815	1.8
337.21729	2.2
355.22821	2.5
431.29538	2.6
443.27982	1.5
449.30542	12.0
467.31784	9.8
485.32843	1.6
523.34100	9.6
541.35345	100.0
542.35559	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01869	2.0
55.05511	1.3
57.03438	1.2
57.07059	1.6
67.05508	6.3
68.84195	1.2
69.03427	4.8
69.07060	2.5
69.41537	9.0
70.06576	3.3
71.04985	5.1
72.08141	2.0
79.01859	2.4
79.05494	4.0
81.03437	7.3
81.07054	5.2
85.02905	5.2
85.06551	2.7
85.61306	1.2
91.05487	7.3
93.07059	6.1
94.07392	1.2
95.04984	2.8
95.08606	4.7
97.02943	5.5
97.06535	1.7
99.04450	5.3
105.07051	17.1
106.07362	4.0
107.01252	1.5
107.04942	1.6
107.08600	7.6
107.56427	1.1
109.02892	7.5
109.06529	49.5
109.10183	16.3
111.08057	1.7
115.74760	1.2
117.07036	1.9
118.07345	1.3
119.08607	4.2
121.06527	1.5
121.10151	3.0
123.08091	7.4
125.02354	3.2
127.03898	8.2
131.08595	7.8
133.10136	17.7
134.10452	5.4
135.08057	24.1
137.05968	1.4
143.03308	2.2
143.08566	1.9
145.10114	3.3
147.11688	1.6
149.09619	2.6
153.01849	100.0
153.02933	4.7
153.09091	1.9
154.02185	2.5
158.11003	1.5
161.09619	9.2
162.10004	7.1
163.11208	3.2
164.11548	2.1
171.02882	11.6
173.13264	12.0
179.10707	4.4
180.11029	2.3
189.09146	2.3
190.09413	2.3
191.14334	45.9
195.02902	1.4
208.10478	1.5
209.15396	42.1
286.03979	1.3
292.16159	1.2
296.65353	1.3
297.06042	4.2
315.07141	13.6
540.28937	2.2
541.29425	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2289
Annotation	Erizomycin
Peak:m/z	Relative Intensity
53.03935	1.3
55.05505	2.5
57.07087	1.3
61.02905	1.4
67.05495	4.8
69.03436	5.8
69.07079	5.3
70.06604	1.3
71.05000	2.4
71.50851	1.4
79.01846	3.1
79.05506	2.3
81.03424	5.5
81.07069	9.5
83.04968	2.1
83.08612	2.5
84.08164	1.5
85.02914	7.5
85.06557	5.9
91.05479	3.4
93.07049	8.7
95.04951	1.5
95.08610	10.8
97.02899	5.8
97.06541	4.0
99.04475	1.6
99.08101	4.7
105.07017	4.1
107.01304	2.0
107.04965	1.7
107.08604	13.1
109.02907	6.0
109.06522	1.2
109.10157	8.4
111.08066	1.9
119.08578	3.9
121.06505	3.6
121.10176	9.4
123.08076	4.2
123.11728	3.0
125.02306	2.9
125.05956	1.0
125.09623	3.1
127.03933	8.1
127.11198	1.7
131.08562	1.7
133.10144	4.6
135.08058	4.5
135.11700	3.7
137.05977	1.4
137.09613	2.6
139.11214	1.8
143.03397	3.6
145.04991	1.3
145.10085	1.3
145.24812	1.3
147.11685	3.8
149.09636	13.3
149.13289	5.2
151.11197	3.8
153.01846	100.0
153.02928	5.2
163.14798	6.8
165.12799	3.6
165.25394	1.1
171.02907	10.2
171.13808	8.3
173.13292	5.4
183.13786	1.2
191.14328	14.8
209.15356	16.6
219.03947	1.3
219.10158	1.9
220.10541	1.8
228.70296	1.1
249.95943	1.4
281.31073	1.2
289.25256	2.2
297.06033	5.0
307.26443	2.3
315.07080	10.1
325.27478	2.3
343.28387	1.6
345.04404	1.1
356.20230	1.3
405.54279	1.0
478.31934	1.7
505.88004	1.1
550.87103	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
57.05917	1.4
58.65448	1.3
61.38393	1.4
67.05499	1.5
69.03430	3.8
69.07059	1.4
71.51479	2.5
72.30867	1.8
81.03422	2.3
81.07056	1.8
85.02922	10.4
87.04444	1.4
91.05484	13.3
93.07050	1.6
95.04977	4.5
95.08599	2.1
97.02901	3.0
103.05485	2.2
105.07029	2.4
107.04949	3.2
107.08654	2.3
108.08886	1.4
109.02898	2.2
109.06464	1.4
119.04963	8.1
119.08539	1.3
119.81598	1.3
121.06529	1.5
122.03616	2.9
127.03893	2.2
129.07025	6.8
131.04965	4.1
135.08025	2.8
137.05992	43.9
145.04976	2.3
145.06473	2.0
145.75340	1.4
149.05986	9.2
151.07552	54.1
153.01846	13.5
154.02054	1.4
157.06509	5.5
161.04836	1.4
161.05969	7.8
163.07529	12.7
165.07014	2.9
165.09138	3.8
167.07266	1.3
167.08578	5.4
174.06769	3.0
175.07594	4.1
177.09122	5.7
189.09125	18.5
193.06522	2.6
193.10147	3.3
195.08066	12.4
207.10243	4.3
210.06865	1.4
211.16980	2.4
212.08380	1.5
221.06084	4.0
221.09653	4.6
223.07605	6.2
224.08379	2.3
225.09032	4.1
227.10699	16.8
238.06285	2.7
241.08522	2.0
249.09146	3.9
253.08656	5.6
253.12262	10.9
255.10219	16.5
267.10187	2.8
268.28009	1.4
269.08200	2.1
281.11823	3.9
285.11197	12.0
287.12814	28.7
301.14423	2.1
313.14346	27.8
330.11478	1.8
331.15424	100.0
332.15836	2.6
343.15469	5.0
345.15610	1.3
417.83502	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.8
55.01878	47.6
55.05515	35.2
57.03435	8.3
57.07080	93.7
59.05010	1.5
61.02929	2.2
65.03943	2.6
67.05509	63.9
67.58868	1.4
69.03437	14.5
69.07070	26.5
69.22543	5.5
69.22974	9.1
71.01355	2.1
71.05029	3.1
71.08640	55.1
73.02927	7.4
79.05499	32.8
80.06284	2.3
81.03438	11.3
81.06586	3.3
81.07064	61.5
82.04211	11.2
83.04991	18.8
83.08633	29.2
84.05774	1.9
84.29308	1.3
85.02911	4.0
85.06554	2.4
85.10188	33.0
88.25439	1.4
89.06028	3.4
91.05496	26.0
93.07050	24.3
94.07838	1.6
95.04972	14.7
95.08617	60.9
96.05775	2.2
97.02893	3.6
97.06545	14.8
97.10177	17.2
98.07319	15.8
98.21584	2.5
99.04487	1.9
99.11787	2.2
105.07032	12.6
107.04969	6.0
107.08591	13.6
107.64461	1.6
109.06516	4.7
109.10167	26.5
110.07398	2.0
111.04477	7.4
111.08092	8.5
111.11727	3.1
116.04736	2.6
117.07018	6.6
119.08612	6.3
121.06536	2.0
121.10134	7.6
123.08096	5.6
123.11715	9.7
125.09622	6.8
125.13301	1.8
127.11219	5.9
129.07031	5.5
131.08604	5.4
131.10689	1.4
133.10121	7.7
135.08066	2.2
135.11731	6.2
137.09650	3.6
137.13229	3.4
145.10130	3.9
147.11707	6.1
149.09633	2.9
153.09125	1.6
153.12718	1.6
157.10149	6.3
158.05727	7.7
163.11238	5.0
165.12810	3.9
171.06541	17.6
175.11215	2.2
185.08141	6.8
193.12297	2.0
199.09703	3.6
209.11751	11.1
213.11250	4.0
219.46252	1.4
221.22641	1.8
227.12778	12.7
239.23689	15.3
241.14447	3.3
242.15059	2.0
255.15857	14.2
269.17477	3.2
283.15460	4.1
283.18918	2.0
297.20728	2.7
311.18594	3.7
311.22275	11.3
313.27341	6.8
325.23740	2.9
339.25290	2.5
353.27066	2.8
354.27631	3.5
367.24387	2.4
367.28513	27.1
381.30151	7.9
394.24823	1.6
395.31635	20.6
409.33121	6.8
423.34784	5.4
437.36816	2.9
438.37146	10.8
465.36020	2.3
493.38712	2.7
517.67773	1.8
521.38019	2.5
532.60803	1.5
539.39484	100.0
540.39728	1.7
552.10461	1.7
553.60748	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22901	1.5
52.93135	1.3
53.03942	5.5
55.01875	31.6
55.05267	2.4
55.05516	37.5
57.03437	10.4
57.07079	76.1
61.02896	1.5
65.03938	2.9
67.05508	62.7
69.03434	12.5
69.07071	28.1
70.07835	6.7
71.04977	4.5
71.08635	54.0
73.02913	6.4
79.05495	39.6
81.03423	9.2
81.07059	61.0
82.04196	6.5
83.04988	20.5
83.08623	32.4
85.02896	3.9
85.06535	1.7
85.10189	24.2
89.06051	2.4
91.05482	27.8
93.07044	27.4
95.04963	14.3
95.08611	52.7
97.02895	6.6
97.06541	10.5
97.10171	14.4
98.07317	8.5
99.04478	1.8
99.08075	2.7
105.07027	14.2
107.04974	6.2
107.08585	16.6
109.06516	3.8
109.10159	29.3
111.04449	23.9
111.05138	2.8
111.08100	7.8
111.11720	1.7
113.36016	1.8
115.03973	2.3
115.05414	1.7
117.07021	6.2
119.08565	8.6
121.06516	3.3
121.10143	10.7
123.08092	5.9
123.11677	11.5
125.09621	7.6
125.13342	1.7
127.11226	5.4
129.07039	4.4
131.08598	6.7
133.10112	8.6
135.08093	3.7
135.11739	8.5
137.09570	2.4
137.13275	3.9
141.07097	1.6
145.06523	3.1
145.10132	9.9
147.11729	5.2
149.09602	3.6
153.12762	1.7
157.10127	2.3
158.05804	4.6
163.11183	8.9
171.06537	13.1
173.09631	3.9
175.11223	2.3
181.12300	5.6
185.08136	4.4
191.10693	5.2
193.12340	2.0
199.09663	2.6
209.11737	95.2
213.11230	2.0
221.22784	1.6
227.12782	28.2
239.23746	17.3
255.15883	10.6
269.17563	2.6
282.73090	1.9
283.15408	28.5
297.20667	3.3
311.22238	7.7
313.27414	21.3
325.23840	2.5
339.25186	1.9
341.26929	1.9
354.27734	3.0
367.28464	21.3
381.30096	5.8
395.31680	13.8
409.33075	4.3
423.34854	4.2
437.36389	1.8
438.36932	7.7
493.39343	2.1
521.38330	16.2
522.39526	2.4
539.39465	100.0
540.39539	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.8
55.01862	2.0
55.05271	1.5
55.05512	20.9
57.03418	2.3
57.07077	55.2
58.55101	0.8
59.04985	2.0
61.02927	1.4
65.03925	2.8
67.05507	69.5
69.03418	1.9
69.06729	1.3
69.07069	19.3
70.06583	0.8
71.04994	62.6
71.08632	40.0
76.16992	0.9
79.05495	25.8
81.03423	1.9
81.07057	91.1
83.04987	11.3
83.08154	1.5
83.08623	23.1
85.06547	7.3
85.10182	20.8
87.04444	1.1
89.06038	1.2
91.05482	41.6
93.07046	24.3
95.04983	2.9
95.08604	44.5
97.06533	7.9
97.10165	8.8
98.20742	2.4
99.08125	2.1
99.11722	1.8
101.05993	1.0
105.07031	22.8
107.08600	16.6
109.06490	2.9
109.10154	22.1
111.08085	1.9
111.11707	1.9
117.07018	5.5
121.10144	5.8
123.08118	1.3
123.11716	25.2
125.13235	1.0
131.08583	6.0
133.10130	28.3
135.11676	5.5
137.13286	2.8
149.09685	0.9
149.13274	11.7
151.11180	15.1
151.14751	1.0
155.98993	0.8
158.29274	0.7
159.11690	7.7
161.13249	1.0
165.16335	1.2
169.12219	1.9
177.12737	5.6
183.13814	22.0
187.13327	3.8
195.13829	8.6
201.14859	1.6
213.14928	2.1
221.22600	1.1
227.16492	1.1
239.23723	11.1
257.17502	2.3
269.17496	3.2
282.28113	0.9
283.19113	3.7
283.28244	1.7
284.28516	1.2
285.16888	4.8
310.28394	1.2
313.27347	2.6
327.28934	2.1
339.28851	4.1
341.26852	5.9
461.11688	0.8
495.40457	39.7
496.41046	1.1
507.40460	2.8
539.43115	100.0
540.43481	2.5
540.53320	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
67.05496	3.2
69.03430	6.9
69.07068	1.5
69.86114	6.3
70.06593	1.3
71.04995	4.3
79.05489	3.4
81.03433	5.8
81.07042	4.4
83.08622	1.8
85.02911	7.0
85.06557	2.1
89.50976	1.4
91.05475	4.8
93.07053	4.7
95.08602	5.8
97.02888	5.2
97.06557	6.5
99.04465	3.7
105.07033	12.7
107.08596	9.0
109.02878	6.2
109.06534	3.2
109.10170	3.7
111.08083	2.0
117.07005	1.6
119.08581	5.3
121.10162	9.2
125.02361	1.8
127.03920	8.0
128.87273	1.2
131.08617	2.8
133.10133	33.9
135.08067	6.4
143.03392	2.2
145.10143	3.3
147.11703	4.8
149.13260	5.8
151.07501	1.3
151.14764	1.6
153.01833	100.0
154.02194	2.1
158.10986	1.7
161.09662	7.2
163.11201	3.7
171.02884	17.1
173.13303	5.4
179.10692	3.9
189.09123	4.2
191.14290	10.9
207.10176	2.6
297.06024	9.0
313.97153	1.3
315.07098	46.3
333.13266	1.9
351.14264	2.0
378.23199	1.5
390.69980	1.2
413.10812	1.4
417.14105	1.4
424.55597	1.4
508.90591	1.2
540.28259	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	540.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.01141	0.2
53.03943	1.0
55.01880	1.6
57.03442	2.4
61.02917	0.8
61.25981	0.2
65.03952	0.3
65.67482	0.2
67.05502	0.3
69.03088	0.3
69.03436	3.4
69.07106	0.2
69.95683	0.3
71.01347	0.6
71.05002	0.4
71.51503	0.4
73.02924	3.7
77.03938	0.4
78.79726	0.2
79.05492	4.9
81.03418	1.0
81.07057	0.7
85.02910	6.8
87.04487	0.5
91.05486	24.7
93.07044	0.7
95.04986	1.6
95.08597	0.5
97.02900	5.8
99.04462	1.0
103.03953	0.4
105.04505	0.6
105.07043	3.1
107.04960	100.0
108.05269	0.4
109.02879	0.9
109.06555	0.8
109.10168	0.6
115.03945	2.6
119.04936	0.4
119.08600	1.2
121.06503	1.1
123.08112	0.3
127.03928	1.8
131.04916	0.5
133.04967	3.8
133.06551	0.6
133.10149	3.3
135.07948	0.4
135.11700	0.6
137.05994	0.7
141.47144	0.3
143.08659	0.4
145.04951	2.7
145.06493	0.7
147.08066	0.8
149.05988	0.9
152.34891	0.3
153.01857	0.7
161.05960	0.6
161.09625	3.1
163.06023	0.8
163.07481	0.3
163.11217	1.0
168.06564	0.3
171.07986	0.3
173.06020	0.6
175.07573	0.4
175.14688	0.3
179.10745	1.0
189.09099	1.4
191.07182	0.4
191.14328	0.5
203.07018	0.7
207.10204	1.7
209.48793	0.2
221.08153	0.7
225.11296	0.5
229.08655	1.0
241.07138	0.3
258.07846	0.3
305.13971	0.4
323.15149	0.3
339.16718	0.3
351.14426	0.7
540.28186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07431	6.3
53.03936	8.1
55.01867	19.0
55.05516	43.5
57.03424	19.3
57.07080	80.8
59.98669	5.9
67.05510	83.2
69.03432	10.3
69.07063	25.7
70.90280	11.3
71.05009	7.9
71.08636	47.8
79.05499	63.2
81.03415	7.3
81.07063	80.7
83.04977	25.0
83.08627	37.5
85.10179	29.4
91.05488	42.9
93.07041	47.9
95.04961	16.4
95.08613	86.2
97.10168	19.9
99.04449	7.2
105.07026	26.8
107.08585	37.4
109.10168	39.9
111.04424	15.5
115.05408	5.7
115.15604	7.1
117.06999	31.1
119.08600	24.1
121.10126	12.6
123.11674	8.2
123.41511	7.0
125.09632	12.5
129.07004	11.2
131.08580	18.5
133.10153	10.1
135.11705	49.6
140.91333	7.0
143.08618	15.5
145.10097	39.1
147.11678	6.1
151.11176	5.5
155.08716	7.8
163.11172	53.6
181.12221	14.5
183.11786	10.8
191.10701	12.4
209.11732	25.3
223.14905	6.3
227.12796	91.7
239.23697	18.4
283.15445	48.9
313.27386	85.5
465.33536	8.2
467.37357	12.1
521.38599	42.7
539.38495	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	539.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.8
55.05516	18.4
57.03447	11.6
57.07079	41.0
65.03951	1.9
67.05177	2.5
67.05509	29.2
67.40456	2.0
69.03419	2.7
69.07065	16.9
69.70463	3.3
69.70860	10.1
71.04985	4.6
71.08635	29.6
73.02893	3.4
79.05509	21.1
81.03413	2.3
81.07061	37.7
83.04970	3.9
83.08620	16.3
85.02924	2.5
85.10199	10.9
89.06026	4.4
91.05475	12.7
93.07047	31.3
94.72903	1.7
95.04958	6.3
95.08613	51.0
96.11728	1.9
97.02891	3.0
97.06514	4.7
97.10149	6.7
98.20741	2.6
99.04453	3.5
103.07445	1.8
105.07024	8.3
107.04948	8.0
107.08601	23.2
109.10157	11.5
111.04414	3.2
111.11724	2.4
117.07014	8.3
119.08620	9.3
121.06512	6.5
121.10144	12.5
123.11686	6.8
130.07784	2.4
131.08553	2.9
133.08565	2.8
133.10086	3.2
135.08014	2.6
135.11699	46.9
140.68056	1.9
145.10120	28.7
160.46567	2.2
163.11189	56.5
181.12227	9.3
209.11716	4.9
217.07654	1.9
227.12790	100.0
239.23705	7.1
265.19769	1.9
276.09558	2.3
283.15393	46.6
313.27374	89.3
521.38385	52.7
539.39508	7.1
540.53137	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	539.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70801	2.8
51.95328	3.0
53.03956	4.0
53.50570	3.1
55.01870	2.9
55.05504	4.6
67.05508	4.1
69.03427	9.6
69.07082	5.4
70.06600	3.4
71.04993	12.3
71.51289	4.3
71.51677	4.0
79.05490	8.8
81.03418	8.8
81.07068	8.8
85.02909	7.2
91.05480	16.4
93.07045	13.1
95.04970	2.8
95.08610	12.1
97.02891	8.2
98.50012	2.5
99.04454	28.5
103.05466	5.7
105.07043	100.0
107.04972	4.3
107.08597	10.5
109.02856	4.8
109.06526	10.9
109.10160	6.0
115.05478	2.8
119.08604	16.6
121.06525	8.4
121.10165	7.6
123.08072	3.1
123.11737	3.6
127.03918	6.5
128.06212	4.2
131.08607	5.9
133.06496	12.5
133.10141	76.9
135.08058	6.4
137.05971	5.4
138.40367	2.9
138.87180	2.9
143.08554	6.2
145.10097	6.6
146.07254	4.1
151.07588	9.7
153.01840	50.5
153.02975	6.5
156.14294	3.0
159.08044	4.4
161.09627	95.7
163.11197	33.9
171.08084	5.4
179.10672	34.3
189.09128	35.1
191.14342	3.5
195.02945	7.2
207.10213	17.1
305.13651	7.3
323.14832	11.4
333.13168	6.9
345.13702	3.8
351.14481	15.5
368.44534	3.7
436.83524	3.1
503.15570	5.3
539.20819	4.8
539.28094	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2128
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
55.05499	2.0
67.05490	7.2
69.03422	3.0
69.74357	6.9
69.74760	4.2
70.06602	11.9
72.08147	2.2
74.09712	2.5
79.01852	2.7
79.05491	4.3
81.03409	7.1
81.07049	8.4
84.08166	8.6
85.02921	6.6
85.06540	3.7
86.09736	2.7
91.05479	4.4
93.07037	6.9
95.04948	2.0
95.08614	16.6
97.02893	4.3
97.06552	2.6
99.08056	3.0
105.07047	5.4
107.04950	4.8
107.08595	3.7
109.02888	4.9
109.10180	3.6
110.06022	2.1
113.06005	1.8
119.08588	6.7
121.10151	3.7
123.08085	5.9
123.11729	2.2
125.02420	2.7
127.03911	7.3
131.08549	3.4
133.10118	4.4
134.44374	1.9
135.11653	3.1
137.06003	13.3
143.03377	2.9
145.04951	2.8
147.08064	1.8
149.09653	14.5
153.01848	100.0
153.02893	3.7
161.13289	3.5
171.02910	11.2
177.05476	4.4
189.12769	5.5
207.13802	22.5
297.06082	5.5
315.07214	9.9
429.23059	2.0
527.13727	1.9
539.17633	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	539.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44853	1.2
53.03939	2.7
55.01869	3.5
55.05509	10.2
57.03436	2.6
57.07071	1.6
58.48646	1.2
58.60753	1.1
59.13882	1.4
65.03942	3.0
67.05186	1.8
67.05511	26.0
69.03439	11.8
69.07067	9.5
71.04980	4.0
79.05497	17.6
80.00567	1.3
81.03422	11.0
81.07063	35.3
83.04968	6.0
83.08638	6.4
85.02888	2.9
85.06556	2.1
88.15054	1.4
91.05483	15.0
93.03397	2.5
93.06478	2.2
93.07047	27.3
95.04977	37.9
95.08614	24.0
97.02909	11.8
97.06504	1.6
97.10156	3.9
98.20667	1.9
99.08092	2.7
103.05465	5.5
105.07038	25.1
107.01311	10.1
107.04953	11.3
107.08591	17.9
109.02841	2.5
109.06506	6.2
109.10167	59.3
111.08077	4.2
117.07006	4.0
119.08591	30.3
121.02874	19.5
121.06509	25.4
121.10156	9.3
123.07207	2.0
123.08076	34.8
123.11700	5.3
125.02350	10.0
125.09618	3.0
127.03918	4.5
128.06171	1.8
129.07005	3.5
131.08560	3.0
133.06531	1.4
133.10156	15.6
135.08047	3.9
135.11702	62.8
137.09624	8.9
139.11243	1.8
143.03342	1.9
143.08539	2.3
145.06461	2.5
145.10107	3.8
147.11688	1.9
149.05994	52.6
149.13260	3.3
151.11185	5.5
151.14828	5.7
155.08568	2.5
157.10129	4.7
159.11783	1.9
163.11145	2.0
167.07056	100.0
169.10135	2.7
171.07942	1.6
171.11737	2.1
173.09706	1.6
175.14850	28.1
181.10066	1.9
183.11684	2.4
185.08110	57.0
193.15884	36.3
211.16963	38.9
227.12666	2.1
254.85570	1.5
273.18604	2.0
311.11227	6.2
329.12268	3.0
421.47250	1.4
429.27798	2.5
439.16769	1.4
447.28741	2.1
449.06018	1.5
465.30014	2.6
521.31982	2.2
539.34344	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	537.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.9
55.01868	3.1
55.05516	18.3
57.03432	7.8
57.07081	34.9
66.72990	2.0
67.05178	3.2
67.05508	42.0
69.07073	12.0
69.30139	5.2
69.30548	14.5
71.08637	26.9
76.29506	2.0
79.05496	46.2
81.03421	5.8
81.07056	36.0
83.04976	9.7
83.08610	10.4
85.06577	2.7
85.10189	13.3
91.05474	39.0
93.07048	40.4
93.25143	2.2
94.58915	2.1
95.04982	14.4
95.08614	30.5
96.35404	2.2
97.06535	3.4
97.07698	2.5
97.10172	6.8
99.78676	2.4
105.07036	26.1
107.04980	4.9
107.08575	8.6
109.06505	4.2
109.10146	9.2
117.07010	4.5
119.08568	16.3
121.10114	2.4
123.08054	3.6
123.11711	3.5
129.06989	9.5
133.10115	6.1
135.11658	3.0
143.08594	4.4
145.10168	5.0
147.11707	21.5
161.09634	5.2
161.13264	9.8
171.11725	18.9
189.12737	9.8
207.13829	27.4
221.49808	2.4
239.23726	3.4
281.17459	41.8
281.20374	3.3
281.29541	35.6
282.27924	100.0
299.30585	28.3
313.27405	56.4
519.40485	69.9
519.52106	2.6
537.38269	2.9
537.53485	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	538.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	9.5
56.58391	3.5
57.03440	5.2
57.31762	2.8
59.05000	2.9
60.20515	3.3
67.05499	4.8
69.03436	29.5
70.06588	19.6
71.04984	4.2
71.50198	3.7
71.50542	3.6
72.08155	3.7
77.51263	3.3
77.75572	2.9
79.05495	9.6
81.03424	3.8
81.07067	9.0
83.04985	23.3
83.08616	4.8
84.04530	4.4
84.08139	4.8
85.02901	23.7
85.06561	3.7
86.09718	5.9
87.04468	12.6
88.04037	3.3
91.05486	8.3
93.07059	13.5
95.04990	7.0
95.08614	10.7
97.02905	17.4
97.06571	6.2
97.10190	4.2
99.04475	4.0
102.86184	3.5
105.07029	10.0
107.08604	54.7
109.02879	6.4
109.06530	7.7
109.10194	5.6
110.33346	3.2
111.08041	7.8
113.80235	3.6
115.03951	22.4
119.08605	8.3
120.08087	5.7
121.06541	5.1
121.10172	14.8
123.08092	5.8
123.11663	4.2
127.03913	5.5
127.07549	5.6
133.04974	18.9
133.10127	16.2
135.08101	5.2
135.11678	6.5
136.07584	4.1
137.06000	5.1
138.09184	3.5
140.07072	6.0
145.10110	5.5
146.06026	6.2
147.11673	5.8
149.13321	11.7
151.11200	10.4
151.12398	3.2
153.01892	20.7
153.09116	18.1
172.63197	3.1
173.13286	5.6
177.05495	8.9
183.44589	3.1
191.14314	100.0
200.75357	3.1
209.15425	36.4
329.80539	3.7
384.14767	3.2
525.93201	3.9
538.16937	5.3
538.25421	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	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.9
55.05517	30.2
57.03444	16.6
57.06837	4.1
57.07083	53.8
61.57801	3.3
65.03942	5.3
67.05177	5.4
67.05508	66.3
69.07074	27.4
71.05003	4.7
71.08633	39.3
79.05493	83.7
81.03423	8.5
81.07060	54.1
83.04979	16.1
83.08623	22.8
85.06536	5.0
85.10171	17.9
86.15808	3.1
90.01716	3.0
91.05489	65.4
93.07045	68.0
94.21317	3.3
95.04956	18.9
95.08609	60.3
97.06519	3.6
97.10186	11.2
102.56145	3.4
105.07028	44.2
107.04945	4.3
107.08608	19.8
109.06510	10.1
109.10190	17.2
117.07006	11.1
119.08559	18.0
121.06550	5.1
121.10118	9.5
123.08025	7.4
123.11686	6.1
129.07042	11.4
133.10124	10.8
135.11716	4.2
143.08566	9.3
145.10095	9.8
147.11703	33.2
151.57207	3.9
161.09615	3.8
161.13242	8.7
167.05635	3.1
171.11717	28.1
189.12744	10.4
207.13777	25.1
225.14948	4.4
239.23685	5.3
281.17480	77.0
313.27362	60.5
454.64694	3.7
519.40454	100.0
520.40723	3.9
537.24603	8.9
537.38000	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	537.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01610	2.1
51.23190	1.9
52.69442	2.0
53.03945	8.4
55.01869	4.0
55.05268	3.0
55.05514	35.7
56.63197	2.4
57.03434	10.3
57.07080	50.9
65.03929	4.6
67.05507	68.0
67.30559	2.4
69.03457	2.2
69.07070	27.3
69.30683	15.1
69.31088	6.3
71.04990	12.4
71.08287	3.2
71.08638	33.7
73.04752	2.3
73.06587	2.8
77.03927	3.1
79.05499	74.6
81.03407	9.9
81.06590	4.8
81.07064	80.7
83.04994	16.6
83.08630	26.7
85.06538	4.8
85.10188	14.8
91.05482	66.1
93.07050	75.5
95.04977	17.5
95.08610	51.5
95.71305	2.0
97.06529	8.5
97.10192	11.5
105.04527	5.0
105.07037	44.7
107.04935	6.9
107.08602	23.9
109.06512	4.8
109.10175	15.8
111.08054	2.6
117.07018	10.2
119.08588	24.9
121.06586	2.9
121.10159	5.3
123.08060	6.6
123.11718	6.8
127.07607	2.7
128.06253	5.2
129.07025	13.9
131.08571	2.7
133.10121	13.4
135.11688	5.2
137.13284	2.8
143.08549	9.4
145.10110	10.3
147.11703	33.3
149.13243	2.6
151.11203	4.8
161.09601	7.1
161.13283	10.9
167.05528	3.5
171.11674	32.4
183.13724	3.2
189.12801	10.8
202.21335	2.9
207.13792	37.1
239.23706	7.6
281.17487	62.2
282.27936	3.4
299.06216	5.5
300.06180	4.3
313.27390	92.0
350.58499	2.6
435.18729	2.3
493.68771	2.4
519.40509	100.0
537.35944	6.9
537.41730	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	537.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.9
55.05506	25.6
57.03430	12.6
57.06834	3.1
57.07078	42.9
67.05509	75.1
69.07076	21.4
69.29943	23.3
71.08634	28.1
72.22014	3.4
77.03923	3.0
79.05495	76.8
81.03410	6.7
81.07056	57.4
83.04994	14.4
83.08616	18.0
85.10183	15.4
91.05480	66.3
93.06487	4.1
93.07053	72.3
95.04971	21.2
95.08616	45.1
97.06518	7.1
97.10188	6.0
105.04517	4.8
105.07039	42.5
107.04947	5.5
107.08610	14.8
109.06529	3.7
109.10145	10.9
111.08082	3.9
113.91395	2.9
117.07013	9.7
119.08580	23.4
121.10145	4.0
123.08050	5.3
123.11675	3.8
129.06999	14.6
131.08578	6.3
133.10118	11.4
143.08524	14.5
145.10130	7.9
147.08057	3.8
147.11696	42.3
161.09648	5.9
161.13211	11.7
171.11694	34.8
189.12775	13.1
207.13828	36.3
216.40501	3.1
239.23669	4.7
257.24652	3.0
281.17484	65.7
313.27362	77.1
481.31244	2.9
519.40515	100.0
537.37781	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	537.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	4.8
53.03945	4.9
55.01865	6.2
55.05272	2.1
55.05518	33.7
55.22315	1.7
57.03437	3.3
57.07082	50.6
59.05008	2.4
65.03955	2.5
67.05511	40.7
67.05881	2.1
69.03435	3.1
69.06725	2.3
69.07072	24.9
69.15382	14.8
71.01367	3.0
71.05001	3.2
71.08638	34.9
79.05079	1.5
79.05507	21.6
80.81779	1.3
81.03435	7.5
81.07063	47.5
83.04974	6.2
83.08630	30.5
85.02933	1.8
85.06549	4.5
85.10188	13.5
91.05476	29.4
93.07047	25.9
95.04983	7.7
95.08617	37.2
97.02886	7.0
97.06532	7.6
97.10178	17.7
99.00827	11.5
99.11758	1.5
103.05488	1.7
105.07032	24.0
107.04947	8.0
107.08591	14.6
109.02892	9.2
109.06545	4.6
109.10161	25.2
111.04442	3.8
111.08101	5.1
111.11736	2.4
115.03927	2.9
115.05383	1.3
117.07038	5.6
119.08598	15.6
121.06474	7.5
121.10166	7.4
123.04396	2.5
123.08069	3.0
123.11729	9.2
125.13268	3.1
127.03955	2.7
128.06186	2.1
129.07021	2.5
131.08560	3.5
133.06522	2.3
133.10141	40.5
135.08067	1.8
135.11736	6.8
137.09613	3.4
139.07541	3.0
143.08580	7.7
145.06496	2.0
145.10150	5.0
147.08028	2.3
147.11691	1.7
151.11234	11.9
161.09624	18.4
163.11227	2.9
165.09132	1.7
171.08076	3.6
179.10680	10.7
189.09171	13.4
191.10719	2.4
197.11752	5.4
207.10229	4.8
209.11710	2.5
225.11241	17.8
227.12791	2.7
239.23763	10.4
243.12297	2.5
275.20016	1.4
281.13950	5.0
283.15286	2.8
300.05948	1.5
337.96863	1.7
442.55377	1.4
449.42050	1.4
519.34961	1.5
537.37903	100.0
538.38025	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18860	0.2
55.05499	0.3
56.05033	0.7
58.06603	0.3
59.07459	0.2
60.07892	0.4
60.08168	6.2
65.03964	0.2
67.05491	0.8
69.86263	0.2
70.91342	0.6
71.07374	2.9
73.17132	0.2
79.05502	0.4
81.07050	0.7
85.57463	0.2
86.09711	30.1
93.07075	0.4
95.08604	0.4
98.98473	3.1
104.10759	2.7
107.08557	0.3
125.00011	20.1
134.65677	0.2
166.06314	0.3
184.07350	100.0
185.07666	0.5
220.98000	0.2
291.19354	0.3
292.69742	0.3
500.31293	0.7
518.32489	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94904	1.2
51.02383	1.1
52.33173	1.1
52.61361	1.0
55.01864	6.0
55.05507	3.5
57.03446	6.4
59.74012	1.2
61.02924	2.0
65.03932	1.5
66.00025	1.5
67.05510	8.4
69.03433	10.4
70.06593	1.2
70.79714	1.7
70.80039	2.2
71.01340	1.7
71.04978	3.6
71.64237	1.2
73.02908	6.0
74.57392	1.2
79.05481	5.4
81.03400	1.4
81.07054	25.8
83.04966	2.1
85.02911	18.3
88.03138	1.6
91.05477	11.8
93.07051	6.5
95.04955	3.4
95.08598	4.3
97.02897	12.2
99.04459	7.6
105.07026	18.7
107.04964	2.5
107.08598	3.8
109.02897	2.1
109.06517	22.8
109.10159	11.2
111.04446	4.7
115.03932	5.1
117.07030	3.2
119.08588	47.1
121.06477	2.1
121.10123	1.5
123.08099	2.2
127.03892	5.6
128.06238	2.6
131.08482	1.8
133.04973	7.3
133.10132	16.0
133.48650	1.4
135.08022	2.2
135.11725	1.3
137.05930	3.1
137.09618	16.9
143.08559	3.5
144.06622	1.4
145.04982	5.5
145.10094	2.0
147.08044	9.1
147.11761	1.4
149.09718	1.6
150.07570	1.3
151.07550	4.7
151.11208	4.5
159.11732	1.3
161.09601	25.7
163.06300	1.3
163.07558	6.8
163.11198	2.7
165.09103	19.7
173.13274	1.3
175.14796	1.2
179.10686	20.4
183.10181	2.9
189.09117	12.9
207.10170	60.4
217.15982	1.5
225.11217	100.0
235.16855	1.6
299.06180	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	536.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94904	1.2
51.02383	1.1
52.33173	1.1
52.61361	1.0
55.01864	6.0
55.05507	3.5
57.03446	6.4
59.74012	1.2
61.02924	2.0
65.03932	1.5
66.00025	1.5
67.05510	8.4
69.03433	10.4
70.06593	1.2
70.79714	1.7
70.80039	2.2
71.01340	1.7
71.04978	3.6
71.64237	1.2
73.02908	6.0
74.57392	1.2
79.05481	5.4
81.03400	1.4
81.07054	25.8
83.04966	2.1
85.02911	18.3
88.03138	1.6
91.05477	11.8
93.07051	6.5
95.04955	3.4
95.08598	4.3
97.02897	12.2
99.04459	7.6
105.07026	18.7
107.04964	2.5
107.08598	3.8
109.02897	2.1
109.06517	22.8
109.10159	11.2
111.04446	4.7
115.03932	5.1
117.07030	3.2
119.08588	47.1
121.06477	2.1
121.10123	1.5
123.08099	2.2
127.03892	5.6
128.06238	2.6
131.08482	1.8
133.04973	7.3
133.10132	16.0
133.48650	1.4
135.08022	2.2
135.11725	1.3
137.05930	3.1
137.09618	16.9
143.08559	3.5
144.06622	1.4
145.04982	5.5
145.10094	2.0
147.08044	9.1
147.11761	1.4
149.09718	1.6
150.07570	1.3
151.07550	4.7
151.11208	4.5
159.11732	1.3
161.09601	25.7
163.06300	1.3
163.07558	6.8
163.11198	2.7
165.09103	19.7
173.13274	1.3
175.14796	1.2
179.10686	20.4
183.10181	2.9
189.09117	12.9
207.10170	60.4
217.15982	1.5
225.11217	100.0
235.16855	1.6
299.06180	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	536.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01875	5.6
55.05513	11.6
56.02088	1.5
57.03434	9.3
57.06823	1.2
61.02926	3.2
67.05505	8.2
68.78336	1.1
69.03434	13.1
69.07072	2.7
70.05581	2.2
70.05987	3.9
70.06569	2.2
71.01356	1.2
71.04996	3.8
72.08157	1.5
73.02563	1.3
73.02921	8.6
74.09126	1.4
79.05502	8.2
81.03418	4.8
81.07061	31.7
83.04990	4.0
85.02905	21.1
87.00851	2.4
89.90368	1.4
91.05486	15.8
93.07043	11.5
95.04958	4.1
95.08632	6.9
97.02878	12.0
99.04456	7.5
105.01854	3.1
105.07034	16.8
107.04963	4.0
107.08611	8.4
107.87408	1.3
109.02869	3.2
109.06524	20.2
109.10159	15.8
111.04462	4.9
115.03936	5.3
117.07028	3.5
119.08586	58.6
121.06524	3.0
121.10151	3.6
123.08100	3.5
127.03923	7.4
129.44899	1.2
131.00160	1.2
131.08554	4.4
133.04977	5.6
133.06538	1.7
133.10120	23.1
135.08052	2.2
135.11679	1.6
137.05972	3.9
137.09619	25.4
143.08568	5.1
145.04977	7.6
145.10143	4.8
147.08034	8.5
147.11682	2.7
149.09627	6.2
151.07544	5.2
151.11208	4.0
153.01816	1.4
153.09116	1.5
153.12724	1.6
159.02875	2.2
159.11729	3.0
161.09630	27.6
163.07526	7.5
163.11172	3.5
165.09119	19.2
167.18900	1.3
173.13217	2.6
175.14876	1.8
179.10692	21.3
183.10159	3.0
189.09081	10.5
207.08537	1.2
207.10167	62.9
217.15891	6.2
225.11224	100.0
235.16931	5.0
273.11551	2.2
299.06161	1.9
402.79327	1.6
539.44318	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2754
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
55.05496	6.9
61.25846	3.5
64.94754	3.4
67.05489	17.7
69.03419	13.7
69.07053	13.8
69.77505	19.0
70.06596	3.9
71.04979	4.7
79.05491	8.3
81.03407	4.2
81.07063	24.3
83.04986	10.8
83.08606	5.4
85.02888	17.7
91.05470	9.5
93.07048	14.3
95.04984	8.5
95.08602	39.2
97.02882	7.0
97.09348	3.2
102.71145	4.0
105.07026	12.9
107.08597	25.9
109.06515	7.8
109.10163	100.0
111.08096	6.5
119.08577	37.9
121.10139	15.2
123.08076	14.9
123.11668	7.6
127.03911	6.3
132.46999	3.4
133.10138	23.4
135.08136	3.9
135.11687	92.1
137.09590	13.9
149.09521	4.1
149.13223	4.5
151.11130	8.3
151.14795	9.4
153.01840	12.9
153.12761	3.9
163.03932	6.4
165.16420	3.5
169.78922	4.2
175.14801	37.5
193.15901	67.8
211.16946	91.6
221.15288	6.7
287.05579	20.3
431.18826	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	535.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77344	1.5
53.03941	7.0
55.01869	5.7
55.05514	23.9
55.35827	1.4
57.03436	3.8
57.07078	47.3
63.83871	1.5
65.03937	3.7
67.05508	55.7
69.03419	4.8
69.07066	19.7
71.05000	3.0
71.08634	32.4
71.51779	1.9
73.02963	1.5
79.05074	2.2
79.05502	29.1
81.03423	17.8
81.07059	50.7
83.04977	6.0
83.08627	23.6
85.02901	2.8
85.06543	2.9
85.10181	16.6
91.05479	24.3
93.07051	22.5
95.04974	26.7
95.08614	38.3
97.06524	4.5
97.10168	13.2
99.08120	2.0
105.04581	2.0
105.07048	13.2
107.04959	18.8
107.08586	12.2
109.06525	3.7
109.10156	23.1
111.08068	1.8
111.11736	2.8
115.05466	2.6
117.07034	8.6
119.08596	6.4
119.70506	1.3
121.06516	8.1
121.10168	4.7
123.11742	6.1
125.09657	3.4
128.06248	1.7
129.07042	2.5
131.08568	11.4
133.10143	9.2
135.08083	3.1
135.11729	4.6
137.09631	2.1
137.13261	3.4
143.08557	2.6
145.06488	1.8
145.10149	5.5
149.13280	3.0
159.11769	7.9
161.09628	3.8
169.10127	2.6
173.11601	1.8
177.12773	5.7
179.10800	2.0
187.11253	4.9
193.12247	1.9
205.12267	11.5
223.13287	63.8
239.23709	8.5
241.14256	1.7
279.15930	13.6
297.16809	1.8
299.06323	2.7
313.27365	9.3
341.69116	1.5
428.63635	1.7
443.35410	2.2
517.39081	7.6
535.40039	100.0
536.40460	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86552	0.2
55.05508	0.6
55.98035	0.2
56.05046	0.9
57.03428	0.2
58.06606	0.3
58.59023	0.2
60.08166	6.0
66.16103	0.2
67.05502	0.7
70.06602	0.4
71.07381	3.5
79.05510	0.7
81.07072	0.6
86.09711	31.0
91.05490	0.5
93.07041	0.6
94.07387	0.2
95.04990	0.2
95.08618	0.3
98.21141	1.3
98.98472	3.4
104.10741	3.0
105.07001	0.5
107.08604	0.3
109.10179	0.4
111.04496	0.3
121.10151	0.3
125.00014	21.6
131.08540	0.3
143.01086	0.3
184.07350	100.0
185.07507	0.3
233.33562	0.2
253.65799	0.2
258.11111	0.4
379.89227	0.2
498.29565	0.9
516.30865	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	534.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70176	4.3
54.72484	4.1
55.05520	29.5
57.03443	5.1
57.07064	9.4
60.08150	8.0
61.02908	6.3
67.05507	95.5
69.07067	25.7
69.78755	23.5
71.08634	7.7
79.05491	28.0
81.07057	100.0
83.08613	19.2
86.09703	28.0
91.05477	17.7
93.07051	26.8
95.08614	78.7
97.06506	9.0
97.10180	10.1
100.20116	5.5
104.10744	44.3
105.07031	15.3
107.08595	22.3
109.10161	46.4
111.11711	6.3
112.39756	4.4
115.10435	5.8
119.08572	9.7
121.10126	24.4
123.11709	19.0
125.00013	17.0
133.10139	18.2
135.11670	11.3
137.13252	8.8
147.11694	12.7
149.13223	8.4
151.14804	6.1
161.13278	11.9
163.14738	9.2
165.16409	8.3
175.14865	7.9
184.07368	47.3
189.16357	6.4
219.52380	5.4
245.22655	48.6
263.23730	58.1
291.92810	5.3
324.17072	5.2
337.27304	46.7
534.35461	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	535.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97147	0.5
53.00635	0.6
56.96556	1.0
58.99856	0.6
69.03418	1.6
70.53737	1.2
70.54083	0.8
70.99870	1.0
73.02937	0.7
81.03416	0.9
82.99869	2.1
85.02904	3.2
94.99839	0.8
97.02908	3.7
98.97588	2.2
101.00892	14.0
109.02869	1.6
110.97576	1.3
113.00860	3.8
115.02390	0.7
119.01935	17.9
127.02435	3.7
127.03914	0.9
128.98669	0.8
129.00337	1.5
131.01917	8.4
139.02402	2.7
143.01912	22.3
145.03485	10.5
145.04767	1.0
147.01407	1.2
147.04457	1.0
149.03012	0.6
151.02379	0.5
153.01843	15.4
153.03888	0.7
155.01907	17.6
156.82249	0.5
157.03493	7.1
158.99672	0.8
161.02974	17.3
163.02495	0.5
163.04520	0.7
166.01297	0.6
167.01923	12.2
168.02592	1.0
169.03441	4.6
171.05008	1.6
173.02986	20.7
174.98767	1.3
175.04547	1.1
179.01915	4.5
181.03450	3.5
183.01402	0.7
185.02974	49.0
186.03043	0.6
187.04527	4.0
191.01962	2.0
191.03973	1.1
192.99893	2.5
197.02986	15.6
197.04805	0.9
198.03064	0.6
199.04546	2.5
200.04599	0.6
203.04033	9.9
203.05806	1.0
207.01447	0.7
209.02954	6.8
211.00903	23.5
215.04031	8.7
219.01727	1.1
221.03169	0.7
221.05112	2.4
225.02568	0.6
227.01787	1.1
227.04025	16.8
229.01991	5.8
234.98653	1.1
235.00893	9.7
237.02888	0.7
239.04039	2.0
240.49219	0.6
245.05103	100.0
246.05283	1.9
247.00891	1.1
247.03030	4.0
249.02541	0.6
253.01930	15.2
257.05133	6.2
261.02890	0.9
263.03812	1.1
263.06210	11.6
265.01999	2.2
267.03714	0.6
271.03030	55.1
272.03253	0.8
275.06137	13.9
275.08929	1.1
283.03040	2.1
285.04630	1.2
289.01590	0.6
289.04172	6.3
293.07175	4.2
294.04773	0.9
295.03134	1.8
297.04684	0.7
301.04102	10.6
305.07193	10.3
307.03009	3.0
313.04065	19.5
317.07217	0.8
325.04138	1.0
331.05283	2.6
335.08017	2.7
337.03732	0.7
343.04944	2.6
355.05145	18.8
365.09363	5.2
373.06210	30.0
415.07254	1.5
427.07272	0.5
535.11426	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	534.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.05500	1.6
56.05030	1.2
58.06611	1.0
60.08167	18.0
67.05504	3.1
69.07079	1.1
70.69180	1.4
71.07370	6.6
71.08625	1.0
79.05511	2.4
81.03426	1.0
81.07053	4.5
83.08633	0.6
85.02930	1.1
86.09710	50.6
91.05485	2.0
93.07055	2.4
95.04979	0.6
95.08607	2.1
97.02890	0.5
97.06572	0.6
98.98481	3.9
99.08081	0.5
104.10748	100.0
105.07029	0.8
107.04926	0.6
107.08576	1.2
109.10159	1.6
119.05422	0.5
119.08583	0.8
121.10163	1.7
125.00010	27.9
127.03909	0.7
135.11708	1.4
141.36476	0.5
142.71739	0.5
145.05020	0.8
149.13197	0.4
151.11235	0.8
163.01595	0.6
179.14273	0.5
184.07350	89.6
247.71295	0.5
258.11160	1.3
351.25452	0.6
386.22437	0.6
413.35342	0.5
516.30878	5.4
534.31903	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	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.8
58.06606	0.4
60.08166	7.8
67.05500	0.6
67.76176	0.2
69.17155	1.9
69.17563	0.4
69.66222	0.2
70.06607	0.3
71.07378	3.6
79.05499	0.5
81.03408	0.2
81.07032	0.5
86.09707	35.4
91.05455	0.4
93.07036	0.4
95.08613	0.4
98.21120	1.0
98.98468	3.2
104.10745	6.3
104.11430	0.4
105.07052	0.4
107.08576	0.3
108.69293	0.2
113.43362	0.2
125.00009	23.2
145.10199	0.2
184.07343	100.0
185.07613	0.4
209.99165	0.2
258.11050	0.5
351.25204	0.3
516.30676	1.3
534.24841	0.3
534.31995	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	534.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
57.07062	2.1
59.05000	1.7
59.68330	0.4
60.23279	0.5
67.05499	1.5
69.03425	1.1
69.07056	1.5
69.90298	2.5
70.02946	2.0
72.04153	0.8
72.04517	8.2
72.27438	0.5
73.02903	1.5
74.02437	0.7
79.01873	1.3
81.03415	2.5
85.02895	1.0
85.06538	3.9
86.09716	0.9
87.08123	0.9
90.05560	48.2
95.04974	3.4
95.48000	0.5
96.08114	0.9
97.02892	2.1
98.01835	0.7
98.02422	8.2
99.04464	0.7
100.03966	1.2
103.07597	2.8
107.01303	0.9
109.02895	2.3
113.06007	1.9
116.03453	6.6
124.07592	7.4
125.02337	1.3
127.03918	2.1
142.08638	4.4
143.03400	1.8
153.01840	32.6
153.02898	1.6
156.10260	0.6
160.09702	1.4
166.08618	1.4
171.02832	2.3
174.11292	1.5
184.09708	9.7
202.08846	0.7
202.10762	20.5
220.11815	100.0
221.12108	0.9
276.81601	0.4
297.06100	2.0
315.07037	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22059	2.3
53.03944	4.2
55.01883	11.5
57.03433	3.8
57.07073	5.8
67.05503	5.3
69.03437	8.3
69.07069	8.6
70.02953	8.6
70.06606	3.2
71.50340	3.3
72.04523	24.2
73.02921	9.3
81.03421	20.8
83.04970	7.2
85.02917	6.5
85.06526	6.4
86.09697	5.6
87.08110	3.1
90.05562	48.0
91.05486	3.2
95.04954	12.7
96.08114	4.1
97.02920	12.8
98.02433	21.3
99.04457	4.9
100.03994	7.6
103.07587	4.9
109.02901	31.8
113.06007	6.9
116.03471	16.1
124.07610	24.1
127.03933	12.6
132.06563	9.0
142.08626	15.3
145.05002	6.1
153.01842	23.9
153.02910	4.1
153.30386	2.3
153.99391	2.5
160.09633	3.2
166.08617	3.7
172.09676	5.1
174.11325	3.4
184.09717	40.5
198.07579	5.9
199.06067	4.1
202.10774	100.0
211.09715	9.6
216.08699	5.0
217.07161	3.5
220.11819	57.0
230.10257	10.8
234.09756	9.2
241.45610	2.4
262.12909	16.7
299.20477	2.4
310.12814	8.4
328.13950	41.8
346.15039	6.0
364.15970	13.7
478.47354	3.3
534.21533	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	534.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01880	4.0
55.05505	0.6
57.03441	7.6
57.47582	0.5
59.05002	1.1
59.38633	0.5
61.02933	3.8
65.03957	1.8
66.27999	0.4
67.05508	0.9
69.03434	11.3
69.07063	0.7
69.48659	0.9
69.49059	3.0
70.06591	0.8
71.01362	1.5
71.05007	1.3
73.02925	10.9
79.05489	0.9
81.03430	2.1
81.07060	1.7
83.04981	0.8
85.02911	28.0
85.06549	22.3
87.04483	1.5
91.03958	1.6
91.05470	0.5
93.07048	1.4
95.04976	1.1
95.08590	1.0
97.02901	15.3
97.06547	1.1
99.04472	1.5
103.03955	1.0
105.07005	1.1
105.76039	0.5
107.04940	0.5
107.08569	0.6
109.02888	1.7
109.06541	1.4
111.04445	0.6
115.03936	7.0
117.07007	0.6
121.02877	59.2
121.06442	0.8
122.03210	0.6
127.03928	6.6
132.06560	0.9
133.04982	7.7
133.10120	0.4
135.08047	1.0
137.52245	0.5
137.53487	0.5
139.03912	100.0
140.04332	0.8
145.04970	11.7
149.02374	1.4
150.07602	1.4
151.03877	0.5
151.07558	0.8
153.01836	0.9
163.06071	3.7
163.07329	0.7
181.08606	0.6
187.07643	0.5
199.09663	0.7
205.08554	2.1
211.09683	1.0
217.10756	0.9
223.06123	0.7
223.09615	0.6
229.10678	2.8
241.07138	1.3
259.08041	0.8
265.15579	0.5
312.90054	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3842
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
53.03931	7.4
55.01878	6.5
55.05515	28.8
57.03450	15.6
57.07073	9.2
58.26822	2.7
65.03934	5.0
67.05509	81.7
69.07076	27.3
71.04991	8.4
71.08609	4.9
71.51785	4.6
79.05496	63.7
81.03413	12.0
81.07064	100.0
82.07371	3.2
83.04983	9.1
83.08633	19.7
85.06539	7.5
91.05489	38.6
93.06479	4.8
93.07053	69.3
95.04968	9.3
95.08611	61.9
97.06528	10.3
97.10175	18.2
105.07047	40.7
107.08598	44.8
109.06532	3.1
109.10165	35.6
111.08099	4.8
117.07021	12.1
119.08591	31.3
121.10165	21.7
123.07985	4.3
123.11699	13.6
125.09634	6.3
127.11174	3.2
129.07018	7.9
131.08574	23.8
133.10133	25.1
133.32249	2.7
135.08087	4.2
135.11714	36.1
137.09673	3.5
137.13203	3.1
143.08565	10.5
145.10126	25.2
147.11681	19.8
149.13260	13.5
151.11148	3.2
153.12819	4.9
155.08542	3.7
157.10123	10.3
159.11664	16.5
161.13271	10.6
163.11205	4.5
163.14830	4.9
165.35367	2.7
171.11734	7.0
173.11870	3.9
173.13350	9.2
175.14862	6.5
177.12724	2.9
181.10115	4.0
181.12236	8.1
183.11758	5.0
185.13242	8.2
187.14873	5.9
189.11221	4.0
193.12230	8.0
195.13933	3.6
213.16324	2.8
227.12851	6.5
229.14365	4.5
243.21085	3.1
253.14262	5.2
255.15913	22.1
259.20627	4.7
261.22083	19.1
273.22202	6.3
287.23709	8.3
299.23767	3.2
335.25714	14.0
389.64911	3.2
423.32611	13.3
441.33578	16.3
459.34753	9.8
497.36176	4.5
515.37366	66.2
525.95343	3.5
533.38220	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.7
55.01866	4.5
55.05516	30.2
57.03429	5.3
57.07080	42.6
65.03925	2.7
65.35111	1.2
67.05509	60.6
67.63387	1.2
69.03433	2.9
69.07072	33.7
69.60810	1.0
69.71298	7.0
71.04997	4.6
71.08634	23.7
79.05497	34.6
81.03423	79.3
81.07061	66.9
83.04984	4.6
83.08147	2.5
83.08625	34.0
85.06544	3.6
85.10193	14.6
87.58308	1.1
91.05487	28.9
91.06024	2.3
93.07046	34.4
95.04974	19.1
95.08614	51.1
97.02860	1.2
97.06557	5.4
97.10168	16.7
99.08110	1.7
105.04568	1.8
105.07047	17.1
107.04973	5.3
107.08599	14.9
108.24802	1.4
109.06551	3.5
109.10164	20.0
109.10837	1.7
111.04507	1.7
111.08070	9.9
111.11720	5.7
115.05451	1.7
117.07031	4.8
119.04925	1.5
119.08598	11.3
121.06548	2.5
121.10154	16.7
123.08032	1.5
123.11727	7.4
125.09670	1.3
128.06229	1.6
129.07042	9.4
131.08566	11.3
133.06548	2.2
133.10130	8.0
135.11693	6.7
137.09618	1.9
137.13304	2.5
142.07774	1.9
145.10123	3.3
147.08057	2.2
147.11668	6.4
149.09662	2.7
149.13272	12.2
157.10132	7.9
159.11740	5.1
171.24251	1.2
175.11241	4.9
177.12837	2.3
180.34036	1.1
193.12254	39.4
195.13882	3.3
205.12370	1.2
249.15001	4.7
261.22284	2.2
265.25323	3.4
265.99716	1.5
267.27032	4.2
300.63879	1.4
366.64444	1.4
389.17746	2.0
417.17041	2.0
419.22504	3.4
446.21320	2.9
447.22003	2.5
515.37317	2.8
533.25824	19.1
533.42126	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	532.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
55.01859	11.2
55.05500	10.5
57.03445	17.2
61.02918	7.8
66.26615	2.7
67.05505	33.9
69.03136	2.8
69.03436	27.8
69.07061	9.4
70.96378	7.4
73.02916	25.0
79.05499	31.4
81.03407	9.0
81.07062	84.5
85.02907	63.7
86.09692	10.5
87.04448	5.5
91.05486	25.2
93.07037	46.2
95.04990	6.5
95.08612	68.0
97.02900	28.9
97.10188	3.1
104.10734	14.3
105.07037	100.0
107.08600	63.2
109.02956	2.9
109.06523	3.4
109.10155	49.1
115.03931	19.4
117.07012	5.3
119.07801	4.4
119.08591	57.2
121.10161	24.9
123.08074	3.2
123.11710	11.9
124.99989	7.4
127.03917	15.1
127.16458	3.3
131.08560	5.1
132.06560	6.1
133.04999	29.0
133.10158	33.4
135.11687	16.8
145.04961	18.9
145.10146	8.4
147.10533	2.8
147.11697	56.7
149.13167	4.0
150.07559	7.2
157.10103	3.2
161.13232	18.5
163.06017	6.8
163.14751	3.2
169.75020	2.6
171.11636	4.0
173.13319	3.4
173.95145	2.4
175.14838	5.8
179.08755	2.8
184.07314	24.4
201.16487	2.6
203.17960	52.9
241.07060	4.6
338.52707	2.8
356.39209	2.6
520.83362	3.3
532.30200	6.9
551.44873	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	532.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.9
54.07982	2.8
55.05515	21.6
56.59607	4.0
57.03410	5.4
57.07060	3.5
61.02936	5.3
65.03939	3.8
67.05511	86.6
69.03416	5.3
69.07069	13.7
69.94774	14.2
79.05500	62.7
81.03439	4.6
81.07063	84.2
82.07275	3.5
83.08620	8.8
84.19492	3.1
85.02914	8.7
85.06519	3.8
91.05494	29.6
93.07055	68.9
95.08612	66.1
96.73791	3.6
97.02869	5.6
97.10158	4.2
105.07039	26.8
107.08595	45.2
109.10163	39.5
113.82652	3.2
117.07017	10.9
119.08627	24.7
121.10142	39.2
123.11721	14.7
127.03900	3.0
131.08601	23.9
133.10130	19.2
135.11728	32.1
137.13156	5.1
145.10133	22.0
147.11696	14.5
149.13286	18.6
151.11165	4.7
159.11700	17.6
161.13261	16.2
163.14836	16.3
173.13234	17.0
175.14774	4.6
177.16432	7.1
187.14748	8.8
191.14345	3.8
199.14642	4.1
233.22552	5.7
243.21124	37.9
261.22137	100.0
291.19498	4.7
335.25739	12.6
353.26953	27.7
369.24219	4.6
514.36340	4.3
532.37158	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	533.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96580	14.8
61.02934	5.2
61.40596	3.9
69.03455	4.9
69.13354	3.7
70.06586	4.3
71.50942	4.9
79.01875	5.3
81.03387	6.2
85.02919	18.6
91.41484	4.1
97.02906	6.2
98.97601	30.3
110.97592	6.3
116.98627	7.9
120.08068	4.6
127.03989	6.2
128.98654	6.7
143.00130	6.9
145.04901	4.6
146.13538	4.0
147.04433	11.8
153.01836	48.0
158.99680	8.5
163.03903	4.9
170.99686	5.1
177.00775	7.2
208.97697	5.4
219.01811	15.3
226.98637	8.6
237.02827	18.6
244.99725	7.6
249.77367	4.1
263.00732	6.1
277.03720	4.6
303.01453	9.9
310.08066	6.7
371.03677	8.0
406.03946	4.7
415.09467	5.7
450.10306	4.5
475.11081	7.7
533.09070	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	532.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01962	1.7
53.03951	2.2
55.01862	1.3
55.05507	4.4
57.03438	12.3
61.02914	3.3
66.32204	1.0
67.05518	2.6
69.03435	5.9
70.06595	1.8
71.04996	64.1
71.51656	1.6
72.08163	1.7
72.55503	1.0
73.02905	3.2
75.04479	4.7
79.05497	9.1
81.03432	3.4
81.07063	13.9
83.04992	10.8
85.02910	100.0
85.06549	8.3
86.03220	1.4
87.04492	2.7
91.05500	2.2
93.07082	3.0
95.04968	3.8
97.02885	7.2
97.06511	1.3
99.04472	3.2
105.03394	7.6
105.07050	2.3
107.04970	1.5
107.08577	1.9
108.22351	1.2
109.02887	2.1
109.06515	2.6
109.10178	1.9
111.04465	7.3
119.08581	1.5
121.06480	1.6
123.04436	23.1
123.08081	2.9
127.03931	6.7
129.05492	38.4
131.08589	1.4
137.09595	1.7
144.26155	1.3
145.05029	7.7
147.06529	23.2
149.09627	1.4
151.07561	2.9
153.01819	4.4
161.09628	2.2
163.06076	2.7
164.09171	2.5
189.09140	1.8
195.10086	1.6
213.11252	4.8
238.12666	3.3
255.08734	1.2
309.11575	1.5
400.17999	2.9
454.24161	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82294	3.7
53.03949	5.5
53.52942	3.1
55.01868	12.6
55.05503	15.6
57.03440	29.8
60.08177	4.5
61.02925	6.4
61.86855	3.9
64.97636	3.8
65.03922	5.0
67.05179	4.7
67.05509	53.8
69.03418	24.9
69.07083	17.6
71.05004	4.7
71.51767	5.2
73.02919	28.5
78.12778	3.3
79.05504	31.8
79.35603	3.4
81.03418	6.9
81.07060	96.3
83.08601	4.0
85.02444	5.9
85.02914	75.5
86.09713	25.0
87.04475	5.4
90.42447	3.7
91.05482	39.7
93.07054	55.3
93.38231	3.5
95.04961	11.5
95.08614	90.1
95.83694	3.6
97.02897	37.5
97.10191	4.0
97.53523	3.3
99.04472	5.8
104.10768	4.0
105.07044	100.0
107.08603	77.8
109.02897	4.4
109.10165	65.7
115.03936	32.4
117.07028	4.9
119.08591	72.8
121.06509	4.0
121.10136	31.9
123.11710	19.9
125.00013	17.7
127.03904	18.1
131.08574	7.9
132.06497	5.2
133.04968	26.6
133.10139	45.9
135.08012	3.9
135.11694	16.4
138.21054	3.3
145.04974	19.6
145.10156	12.0
147.11694	64.0
149.13219	5.6
150.07599	8.7
151.11153	7.7
157.10110	3.9
159.11720	8.9
160.93181	3.5
161.13307	17.7
163.06032	6.9
175.14777	7.7
184.07359	82.0
203.17987	49.6
224.39624	3.4
241.07141	4.2
306.17001	4.2
452.43021	3.7
532.29999	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	531.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.3
55.01862	7.4
55.02131	2.2
55.05516	51.9
55.87111	2.2
57.03434	17.2
57.07066	9.9
65.03954	5.0
67.05508	100.0
69.03416	3.6
69.07070	43.4
69.16373	2.3
69.16673	26.1
71.04988	9.0
71.08630	4.0
79.05499	76.3
81.02984	4.0
81.03424	40.7
81.03873	4.6
81.07065	89.2
83.04973	7.3
83.08625	36.4
85.06538	7.2
91.05487	74.3
93.07051	79.5
95.04990	19.4
95.08610	59.9
97.06522	11.0
97.10179	16.2
99.08072	6.0
103.05476	3.3
105.07041	77.7
107.04974	4.6
107.08601	47.0
109.06508	6.7
109.10167	37.2
111.08086	8.2
115.05418	2.9
117.07018	26.2
119.08588	53.5
121.06474	6.6
121.10167	27.7
123.08051	5.4
123.11691	8.3
125.09634	7.1
128.06233	5.7
129.07018	22.7
130.07881	2.7
131.08575	44.0
133.06485	4.3
133.10139	40.9
135.07999	3.1
135.11697	39.9
137.09619	4.8
141.07018	8.0
142.07819	6.3
143.08560	26.3
145.10130	48.7
147.08034	3.5
147.11707	32.6
149.09622	3.9
149.13274	9.4
151.11169	6.4
155.08534	13.4
156.09380	3.2
157.10129	30.9
159.10492	2.6
159.11719	36.6
161.09566	4.2
161.13252	20.0
163.11235	6.0
163.14871	3.8
165.12807	2.8
167.08562	4.0
169.10123	15.2
171.11693	25.7
173.13310	23.0
175.11263	5.2
175.14873	8.3
181.10133	3.7
181.12273	7.1
183.11688	14.6
185.13286	18.4
187.11169	2.7
187.14838	11.6
193.10519	4.3
193.12260	21.6
195.11719	7.6
197.13248	10.2
199.13197	3.7
199.14867	8.5
203.14346	2.5
207.11629	2.9
209.13284	3.9
211.14865	6.7
213.16406	4.6
221.13295	3.4
223.14818	4.3
225.16589	2.6
237.16554	3.2
239.18057	2.5
241.19511	14.8
253.14395	7.1
255.15903	20.6
257.18961	3.3
259.20569	30.4
265.25259	3.4
269.22028	2.2
275.20020	3.5
277.21884	3.0
285.22061	5.5
309.22031	3.7
311.23523	2.6
313.21640	3.0
315.23236	4.4
333.24133	11.9
393.31464	2.8
403.29999	8.4
409.30765	3.8
411.32666	9.3
421.30991	26.5
439.31796	21.6
457.32996	17.2
483.34952	2.6
495.34592	7.5
501.35797	4.9
503.37466	26.9
513.28198	4.5
513.35809	88.2
531.37372	47.5
532.37274	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	531.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.0
53.03949	6.4
55.01873	3.8
55.05515	40.8
57.03442	4.1
57.07077	11.7
65.03946	3.5
67.05509	55.6
69.03442	3.2
69.07073	39.0
71.01339	0.9
71.05000	3.4
71.08633	5.6
71.51006	1.1
73.83274	0.8
79.05497	34.4
81.03423	100.0
81.07061	55.6
83.04983	5.5
83.08623	46.6
85.06549	4.2
85.10165	2.0
87.04479	2.9
91.05489	32.0
92.05806	1.2
93.07046	29.3
95.04972	30.4
95.05563	1.7
95.08612	45.7
97.02937	2.3
97.06531	4.7
97.10174	19.2
97.10777	1.3
99.08127	2.9
103.30231	0.7
105.00162	1.0
105.04562	1.3
105.07035	21.9
107.04962	5.8
107.08596	14.5
109.06556	3.7
109.10166	23.4
111.04462	1.9
111.08089	11.5
111.11745	3.7
115.05500	2.4
117.07032	4.9
119.04963	1.3
119.08582	17.3
119.09357	1.2
121.06527	3.1
121.10147	18.1
123.04436	1.5
123.08096	2.3
123.11707	5.1
125.09691	2.9
125.13278	1.3
128.06259	1.7
129.07019	9.7
131.08569	13.3
131.09514	0.8
131.62941	0.9
133.06505	4.4
133.10138	13.5
133.11063	0.9
134.10522	1.4
135.11699	13.2
137.09731	1.8
137.13297	2.0
141.07016	0.9
142.07803	4.0
143.08640	2.4
145.10109	4.7
147.08110	3.4
147.11694	7.8
149.09650	6.8
149.13306	5.0
151.11205	1.6
151.14891	1.8
153.12811	1.1
155.08615	1.1
157.10147	11.9
159.11765	3.0
161.13307	2.6
163.11209	2.0
163.14879	3.0
165.12781	2.1
165.16432	2.5
171.11816	1.1
175.11169	8.2
179.14374	2.0
184.31116	0.8
185.13313	1.3
189.11214	1.3
193.12254	54.2
199.14854	0.9
204.66422	0.8
205.12308	0.8
213.12888	1.2
226.00931	1.0
231.13835	1.7
247.24326	3.7
249.14902	7.5
253.14137	0.9
265.25278	12.3
277.21759	3.3
321.27960	1.0
374.28409	1.1
375.14108	1.0
439.36172	1.6
457.36902	5.7
513.35931	1.5
531.40607	93.1
532.41010	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	531.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03934	4.6
55.01881	7.1
55.05272	1.7
55.05513	22.3
57.03421	5.5
57.07051	3.9
61.86556	1.5
65.03922	5.2
67.05510	100.0
68.05828	2.6
69.03426	4.0
69.06724	2.1
69.07072	25.8
70.17627	3.4
70.18037	3.9
71.04990	8.1
79.05023	2.1
79.05496	59.3
81.03414	4.6
81.07063	86.2
82.07411	2.0
83.04981	9.9
83.08614	7.8
85.06558	8.1
87.04443	4.7
91.05487	64.1
93.07047	62.5
94.07317	1.5
95.04975	8.8
95.07993	1.9
95.08610	36.1
96.68285	1.4
97.06524	5.7
97.10162	4.5
98.21507	1.9
99.04446	4.4
99.08076	2.8
105.04510	2.7
105.06320	1.7
105.07038	53.7
107.08607	58.3
109.06538	7.7
109.10163	82.9
111.08086	3.4
113.05985	4.2
117.07021	10.2
119.08596	14.5
121.10136	21.8
123.08094	1.5
123.11731	13.3
125.09632	2.4
127.07515	3.1
128.06223	2.8
129.06982	1.6
131.08565	15.5
133.10141	87.5
135.11688	17.7
137.09520	2.3
139.33891	1.6
143.08572	2.4
145.10107	10.9
147.11659	6.7
149.13234	8.5
151.11191	54.8
152.11584	1.6
157.10114	2.0
159.11688	8.2
161.09595	2.8
161.13243	6.7
163.14832	2.6
169.12300	15.0
171.11679	2.5
173.13248	7.2
177.05432	2.6
177.16402	1.8
179.10670	2.0
179.14255	3.5
183.11545	1.8
187.14822	4.8
215.12715	4.5
243.21017	5.1
245.66942	1.5
253.14377	80.5
261.22137	21.4
271.15344	4.2
317.24631	4.2
421.30807	2.3
436.28415	1.4
439.31915	5.1
457.32968	4.5
513.35748	11.9
531.36768	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	531.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13364	1.7
53.03933	7.8
54.09187	2.0
55.01856	7.1
55.05268	2.9
55.05512	30.9
57.03424	7.3
57.07071	3.3
63.55539	1.9
65.03932	5.0
67.05508	100.0
68.05827	3.8
69.03420	4.0
69.07066	26.6
69.35291	13.0
71.04980	6.6
71.08607	2.4
79.05498	64.7
80.05798	2.3
81.03405	6.8
81.07058	82.3
82.07395	3.0
83.04986	9.2
83.08622	13.6
85.02854	2.1
85.06527	8.2
87.04438	2.6
91.04915	3.6
91.05482	69.3
93.07047	69.0
94.07373	3.5
95.04969	12.5
95.08064	3.2
95.08611	39.5
97.06516	7.1
97.10153	5.8
99.04446	3.5
99.08096	3.9
105.04528	2.1
105.07037	65.9
107.04956	4.4
107.08591	62.4
108.08878	2.2
109.06492	5.4
109.10162	84.9
110.10478	2.5
111.08087	5.5
113.06013	3.1
117.06996	10.5
119.08597	20.8
121.10143	24.6
123.08083	2.3
123.10957	2.1
123.11704	10.8
125.09599	5.2
127.07605	3.4
129.06938	3.3
131.08565	18.9
133.10136	88.2
134.10510	2.0
135.11713	23.2
143.08580	4.1
145.10123	12.6
147.11687	8.5
149.13326	9.3
151.11198	46.8
157.10139	4.0
159.11649	8.9
161.13257	6.0
163.11163	2.7
163.14775	2.9
169.12242	13.0
171.11678	2.2
173.13182	4.5
175.14859	3.0
179.10744	2.8
179.14325	5.4
187.14801	3.9
215.12698	2.8
220.58603	2.0
229.14299	4.2
230.14728	4.8
243.21162	3.6
253.14365	69.9
255.15810	2.4
261.22156	21.3
269.17288	3.2
270.17865	7.9
277.21674	3.4
317.24860	3.4
342.29572	2.0
439.32129	7.0
457.32867	5.3
513.35590	15.7
531.36804	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.01872	6.6
55.05516	33.2
55.05777	1.6
57.03438	6.7
57.07076	7.2
61.69648	1.9
65.03947	6.0
67.05508	94.7
68.05847	1.8
69.03410	3.1
69.07072	26.2
69.23245	3.1
69.23648	16.1
71.04992	6.0
71.08636	2.7
72.81070	1.9
77.03896	2.1
77.50231	1.9
79.05497	62.6
81.03425	32.9
81.07057	91.5
83.04974	10.1
83.08633	19.3
85.06548	9.8
87.04489	4.0
91.05484	67.3
93.07048	65.8
95.04977	15.4
95.08604	45.8
97.06541	7.5
97.10175	6.9
98.21484	3.3
99.04433	2.7
99.08081	4.7
103.05461	2.0
105.04533	2.0
105.07037	60.5
107.04950	4.2
107.08600	51.4
107.09315	3.6
109.06554	5.4
109.10162	75.9
111.08088	4.1
113.06000	3.3
115.05467	2.3
117.07032	9.9
119.08595	22.7
121.06520	3.9
121.10146	24.1
123.11730	15.2
125.09602	2.9
127.07537	3.5
128.06242	2.3
129.07016	4.9
131.08583	19.3
133.09123	4.0
133.10139	82.4
135.08003	2.3
135.11691	22.0
137.13283	2.3
143.08527	3.2
145.10100	12.2
147.11673	9.3
149.13216	10.9
151.11195	48.8
157.10103	4.5
159.11719	6.8
161.09595	2.7
161.13254	4.7
163.14803	3.4
169.12245	10.4
171.11743	3.6
173.13304	6.5
175.14836	2.0
179.10738	2.6
179.14388	2.3
185.13222	2.1
187.14880	2.4
193.12216	13.2
215.12845	4.5
216.08856	1.8
223.97621	1.7
243.20990	4.0
253.14362	100.0
261.22168	23.1
271.15417	4.0
307.07062	1.9
317.24701	4.2
329.01184	2.0
382.74661	1.9
411.32745	2.2
418.45776	2.0
439.32162	7.0
457.33109	4.6
458.45395	1.9
513.35590	15.2
527.67523	2.0
531.37469	54.2
532.37750	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22493	2.0
53.03944	8.5
55.01872	4.8
55.05516	33.7
56.05667	2.0
57.03442	16.3
57.07064	3.6
62.64577	2.3
66.46517	1.9
67.05508	85.3
69.03433	4.8
69.07072	30.1
70.95705	3.3
70.96015	2.3
71.01350	4.8
71.04991	6.8
79.05498	71.8
81.03413	4.8
81.07058	67.9
83.04987	8.3
83.08627	14.3
85.06542	7.5
91.05482	61.0
91.06026	4.3
93.06480	4.8
93.07049	73.6
95.04965	7.7
95.08614	46.7
97.06531	10.1
97.10182	12.0
99.08081	5.2
102.14420	2.1
105.07037	57.4
107.04919	2.8
107.08600	47.2
109.06516	5.8
109.10157	26.4
109.10859	3.5
111.08104	3.3
115.05437	6.1
117.07022	22.7
119.08587	53.1
121.10147	23.6
123.08082	4.6
123.11703	4.1
125.09640	4.6
128.06262	4.7
129.07018	17.1
131.08574	41.0
133.10138	40.6
135.08110	2.6
135.11696	36.6
137.09535	2.6
141.07007	5.7
142.07817	6.1
143.08562	26.9
144.09340	2.8
145.06635	2.5
145.10124	51.3
147.08080	3.9
147.11702	34.9
149.09634	4.0
149.13274	9.4
151.11208	4.1
155.08592	6.4
157.10110	25.8
159.11691	36.2
161.09612	5.2
161.13260	33.5
163.11176	6.6
163.14787	2.9
164.37973	2.3
167.08597	2.8
169.10139	14.0
171.11705	29.2
173.13223	22.8
175.11174	3.5
175.14796	11.7
177.12804	2.4
181.10129	4.4
181.12230	4.7
183.11670	16.3
185.13251	22.6
187.14876	12.2
195.11676	5.5
197.13252	9.5
199.13257	2.6
199.14807	13.0
201.12746	3.4
201.16417	2.6
207.11719	3.8
209.13210	7.0
211.14809	7.0
213.16422	8.2
217.15900	2.1
223.14818	4.3
225.16449	5.2
227.17966	2.5
231.21054	3.2
235.14798	3.6
237.16454	3.4
241.19554	21.2
253.14317	7.7
255.15863	33.1
257.19049	5.0
259.20602	39.7
261.22195	6.7
271.20749	3.2
277.21716	4.2
285.22229	3.8
287.23618	4.2
297.22382	2.6
299.23550	2.5
301.21674	3.1
304.21338	2.6
311.23657	3.1
313.21677	3.7
313.25186	2.9
315.23154	3.1
323.23715	3.3
327.23401	3.6
333.24225	17.8
345.24283	2.8
384.61169	2.6
390.88171	2.3
393.31683	5.2
403.29922	7.8
409.31241	6.0
411.32562	7.7
421.31061	21.2
427.31970	2.8
429.33569	5.9
439.31992	25.5
457.33081	22.5
485.36292	5.3
495.34848	5.9
501.35690	4.0
503.37372	30.8
513.35809	100.0
531.36768	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.3
55.01862	7.4
55.02131	2.2
55.05516	51.9
55.87111	2.2
57.03434	17.2
57.07066	9.9
65.03954	5.0
67.05508	100.0
69.03416	3.6
69.07070	43.4
69.16373	2.3
69.16673	26.1
71.04988	9.0
71.08630	4.0
79.05499	76.3
81.02984	4.0
81.03424	40.7
81.03873	4.6
81.07065	89.2
83.04973	7.3
83.08625	36.4
85.06538	7.2
91.05487	74.3
93.07051	79.5
95.04990	19.4
95.08610	59.9
97.06522	11.0
97.10179	16.2
99.08072	6.0
103.05476	3.3
105.07041	77.7
107.04974	4.6
107.08601	47.0
109.06508	6.7
109.10167	37.2
111.08086	8.2
115.05418	2.9
117.07018	26.2
119.08588	53.5
121.06474	6.6
121.10167	27.7
123.08051	5.4
123.11691	8.3
125.09634	7.1
128.06233	5.7
129.07018	22.7
130.07881	2.7
131.08575	44.0
133.06485	4.3
133.10139	40.9
135.07999	3.1
135.11697	39.9
137.09619	4.8
141.07018	8.0
142.07819	6.3
143.08560	26.3
145.10130	48.7
147.08034	3.5
147.11707	32.6
149.09622	3.9
149.13274	9.4
151.11169	6.4
155.08534	13.4
156.09380	3.2
157.10129	30.9
159.10492	2.6
159.11719	36.6
161.09566	4.2
161.13252	20.0
163.11235	6.0
163.14871	3.8
165.12807	2.8
167.08562	4.0
169.10123	15.2
171.11693	25.7
173.13310	23.0
175.11263	5.2
175.14873	8.3
181.10133	3.7
181.12273	7.1
183.11688	14.6
185.13286	18.4
187.11169	2.7
187.14838	11.6
193.10519	4.3
193.12260	21.6
195.11719	7.6
197.13248	10.2
199.13197	3.7
199.14867	8.5
203.14346	2.5
207.11629	2.9
209.13284	3.9
211.14865	6.7
213.16406	4.6
221.13295	3.4
223.14818	4.3
225.16589	2.6
237.16554	3.2
239.18057	2.5
241.19511	14.8
253.14395	7.1
255.15903	20.6
257.18961	3.3
259.20569	30.4
265.25259	3.4
269.22028	2.2
275.20020	3.5
277.21884	3.0
285.22061	5.5
309.22031	3.7
311.23523	2.6
313.21640	3.0
315.23236	4.4
333.24133	11.9
393.31464	2.8
403.29999	8.4
409.30765	3.8
411.32666	9.3
421.30991	26.5
439.31796	21.6
457.32996	17.2
483.34952	2.6
495.34592	7.5
501.35797	4.9
503.37466	26.9
513.28198	4.5
513.35809	88.2
531.37372	47.5
532.37274	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	530.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66243	0.4
55.01880	4.4
55.05510	1.1
57.03439	5.1
57.07073	2.8
59.05001	0.5
61.02920	2.6
63.50679	0.4
67.05493	1.7
69.03433	8.7
69.07062	0.7
70.73268	0.7
70.73598	0.9
71.01359	1.0
71.04997	0.7
71.08643	4.6
72.04500	0.4
73.02920	8.3
78.45136	0.4
79.05495	1.1
81.03419	2.9
81.07065	1.0
81.93869	0.4
85.02911	23.2
85.25809	0.4
87.04458	1.5
91.03969	0.8
91.05477	2.9
92.70665	0.5
93.07043	0.8
95.08590	0.6
97.02892	12.6
99.04459	1.1
103.03936	1.0
105.07036	10.2
109.02901	2.2
109.10160	0.6
114.05511	0.4
115.03935	7.1
117.07034	4.6
119.08583	15.2
127.03924	7.4
127.84536	0.5
128.06174	0.6
129.07008	1.2
130.07813	4.4
131.08571	8.5
132.06613	1.5
133.04965	9.7
134.13626	0.5
143.08562	2.3
144.09346	1.8
145.04985	8.9
145.10130	100.0
146.10466	1.1
150.07608	2.2
157.10149	1.8
159.11694	14.0
163.06044	3.1
169.10106	0.6
192.64896	0.4
193.05028	0.7
201.16393	35.7
211.14828	0.7
213.16382	0.7
223.06068	1.1
226.68378	0.5
241.07069	0.9
259.08157	0.5
368.51620	0.5
504.33099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66243	0.4
55.01880	4.4
55.05510	1.1
57.03439	5.1
57.07073	2.8
59.05001	0.5
61.02920	2.6
63.50679	0.4
67.05493	1.7
69.03433	8.7
69.07062	0.7
70.73268	0.7
70.73598	0.9
71.01359	1.0
71.04997	0.7
71.08643	4.6
72.04500	0.4
73.02920	8.3
78.45136	0.4
79.05495	1.1
81.03419	2.9
81.07065	1.0
81.93869	0.4
85.02911	23.2
85.25809	0.4
87.04458	1.5
91.03969	0.8
91.05477	2.9
92.70665	0.5
93.07043	0.8
95.08590	0.6
97.02892	12.6
99.04459	1.1
103.03936	1.0
105.07036	10.2
109.02901	2.2
109.10160	0.6
114.05511	0.4
115.03935	7.1
117.07034	4.6
119.08583	15.2
127.03924	7.4
127.84536	0.5
128.06174	0.6
129.07008	1.2
130.07813	4.4
131.08571	8.5
132.06613	1.5
133.04965	9.7
134.13626	0.5
143.08562	2.3
144.09346	1.8
145.04985	8.9
145.10130	100.0
146.10466	1.1
150.07608	2.2
157.10149	1.8
159.11694	14.0
163.06044	3.1
169.10106	0.6
192.64896	0.4
193.05028	0.7
201.16393	35.7
211.14828	0.7
213.16382	0.7
223.06068	1.1
226.68378	0.5
241.07069	0.9
259.08157	0.5
368.51620	0.5
504.33099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.8
55.01863	8.3
55.05271	3.3
55.05515	40.5
57.03440	17.6
57.07065	2.8
59.05005	2.4
65.03939	4.5
67.05508	100.0
69.03426	3.7
69.07076	22.2
69.82096	9.3
71.04991	5.7
73.02905	6.3
79.05496	45.2
81.03419	15.2
81.07061	83.7
81.70403	1.8
82.07401	2.1
83.04964	11.6
83.08618	24.0
84.17631	1.7
85.02916	13.3
85.06548	4.3
87.04472	9.0
91.05487	36.7
93.07047	49.9
95.04960	10.0
95.08615	22.5
97.02888	2.8
97.06562	10.0
97.10169	14.3
99.08102	3.8
105.07026	17.9
107.04958	4.0
107.08599	32.1
109.06522	3.1
109.10159	43.9
111.08109	6.1
116.04750	2.7
117.07009	13.0
119.08559	12.6
121.06525	4.9
121.10149	13.9
123.08069	2.5
123.11711	5.4
125.09631	18.3
125.56862	2.1
129.05476	6.3
131.08591	12.5
133.10130	16.0
135.08072	4.2
135.11719	16.8
137.09598	2.0
145.10129	6.9
147.11707	4.2
149.13289	15.2
153.12773	3.5
155.10678	4.8
157.10083	2.4
159.11691	10.2
163.11174	9.1
173.11758	15.2
173.13087	3.4
177.12746	4.2
178.89749	1.8
179.14122	2.1
181.12244	2.8
195.13770	18.9
199.13313	11.0
209.11737	4.3
213.14891	1.9
227.12788	5.5
229.14365	38.7
230.14645	1.8
267.15915	3.0
269.17499	47.2
283.15433	2.2
301.16431	12.3
321.72559	2.3
411.27219	4.1
423.27341	14.5
495.29880	10.2
513.30774	10.6
530.39630	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	530.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.7
55.05515	22.8
57.03448	19.7
65.03944	3.0
67.05177	2.8
67.05509	33.8
69.03413	6.5
69.07075	10.3
69.45634	4.8
69.46040	11.2
71.04979	7.6
79.05499	29.7
81.03423	84.2
81.07056	39.0
83.04992	24.8
83.08626	27.9
85.02902	29.7
85.06535	3.0
88.92429	1.9
91.05487	44.7
93.07053	24.9
95.04974	31.8
95.08622	13.7
97.02869	3.8
97.06529	6.5
97.10144	4.5
105.07039	27.4
107.04979	11.9
107.08588	9.2
109.06498	4.1
109.10161	5.1
110.29596	2.4
111.08091	15.7
113.06014	2.7
114.93800	2.1
117.07020	3.5
119.08597	24.4
121.10146	15.6
123.08044	3.2
125.09621	3.3
129.07007	15.3
131.08565	14.2
133.06438	3.4
133.10130	19.4
142.07790	3.4
145.10152	2.9
147.08047	5.3
147.11717	18.6
149.09613	8.4
157.10115	17.6
163.11234	2.8
165.12877	3.2
175.11177	19.1
176.14374	2.9
193.12244	67.5
211.13286	100.0
249.14734	2.5
267.15976	32.8
285.16983	83.5
459.27264	3.6
477.28311	13.0
495.29547	30.8
530.35828	8.7
552.54327	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	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32138	1.0
53.03946	6.6
54.18219	0.9
55.01870	2.8
55.05516	19.1
57.03432	5.4
57.07077	3.0
57.53457	1.0
65.03940	3.9
67.05508	62.3
69.03439	1.3
69.06728	1.5
69.07076	16.0
69.57159	7.0
71.04996	4.1
77.03926	1.8
79.05496	52.2
81.03415	1.3
81.07058	67.7
83.04993	3.3
83.08628	11.2
85.06548	2.8
87.04459	0.9
91.05489	34.1
93.07050	59.0
95.04975	4.9
95.08609	34.4
97.06529	7.3
97.10165	2.6
99.08109	1.2
105.04506	1.8
105.07036	22.9
105.07698	2.0
107.04993	1.1
107.08600	28.8
109.06518	2.2
109.10155	10.8
111.08105	5.2
113.09654	1.2
115.05506	1.1
117.07027	12.0
119.06089	1.4
119.08581	14.2
121.10154	24.0
123.08092	1.6
123.11737	3.1
129.07016	4.8
131.08575	20.2
131.09518	1.3
133.10129	13.4
135.11708	11.0
137.13306	1.3
141.06947	1.5
142.07700	1.2
143.08565	6.6
144.09354	1.0
145.10138	14.2
145.50377	1.0
147.08145	1.1
147.11681	5.0
149.13268	21.5
149.14386	1.5
155.08562	2.0
157.10158	4.4
159.11702	16.2
161.13260	5.8
163.14854	1.7
169.10120	2.4
171.11765	4.5
173.13228	6.0
175.14903	2.3
177.12790	3.8
183.11757	2.9
185.13315	3.3
187.14812	3.0
195.12012	1.2
195.13777	6.3
197.13312	1.8
199.14905	1.8
201.16382	1.3
211.14839	1.7
219.17596	1.4
223.14818	1.2
256.26416	1.8
259.20813	1.3
261.22070	2.8
291.22638	1.0
297.86273	1.2
299.23538	1.5
311.23599	1.2
419.33234	1.7
437.34073	7.5
455.35162	2.8
473.36334	1.5
511.38330	5.1
529.38959	100.0
530.39441	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	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.1
55.01880	2.2
55.05510	23.2
57.03435	6.0
57.07066	4.7
64.83754	1.1
65.03936	3.8
67.05506	80.0
68.55500	1.1
69.07073	27.5
69.82275	4.0
69.82673	2.5
71.04978	4.0
77.03890	1.8
79.05497	63.9
81.03412	3.8
81.07058	83.7
83.04994	5.8
83.08625	13.5
85.06543	4.0
91.05485	43.8
93.07047	74.0
95.04963	7.2
95.08612	41.1
97.06517	8.6
97.10146	3.1
98.20903	1.4
99.08102	3.1
105.04539	2.7
105.07035	24.8
107.08595	36.4
109.06518	3.8
109.10164	14.9
111.08080	6.5
111.11728	1.3
113.09640	1.4
115.05486	2.6
117.07024	12.9
119.08585	17.3
121.10144	29.3
123.11692	1.7
125.09618	1.4
129.07001	4.9
131.08589	21.2
133.10146	13.7
135.11720	13.4
139.11206	1.3
139.59250	1.2
141.06995	1.9
143.08588	7.2
145.10133	16.7
145.41386	1.0
147.11705	7.8
149.09622	1.3
149.13268	27.5
151.11044	1.2
157.10095	6.1
159.11702	15.1
161.13278	4.2
169.10164	2.9
171.11731	4.8
173.13280	6.7
175.14792	1.6
177.12750	6.0
183.11728	2.2
185.13272	2.7
187.14859	3.5
195.11967	1.5
195.13702	5.2
197.13155	1.2
199.14801	2.9
201.16385	1.2
209.13370	1.6
211.14761	1.8
243.21169	2.3
261.22116	6.5
317.24716	2.5
325.25366	1.5
419.33237	2.2
437.34262	7.4
455.35196	2.7
473.36194	2.0
511.37909	4.1
529.38885	100.0
530.39008	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08364	0.3
53.03946	0.6
54.03473	1.1
55.01876	0.6
55.04252	0.3
57.03429	0.4
58.01600	0.3
61.02924	0.7
61.65831	0.3
68.99794	0.5
69.03436	2.7
69.44931	0.7
69.45328	1.8
70.06597	100.0
71.04971	0.5
71.06936	0.4
73.02919	0.4
81.03433	1.3
85.02909	3.1
87.04504	0.3
91.05493	1.3
95.04983	0.8
97.02909	1.9
99.04502	0.3
103.05496	0.5
104.31306	0.3
105.07092	0.5
107.04961	13.0
109.02898	0.5
111.04497	0.4
119.04953	7.8
121.02882	1.0
121.06517	0.7
123.04448	1.3
127.03892	0.7
131.04926	0.8
133.06540	1.6
135.04414	1.2
137.06041	1.0
145.06503	1.9
147.04419	6.8
147.08066	0.4
149.06035	1.0
151.03925	0.5
157.06520	1.3
159.04404	0.8
161.05977	2.3
163.03917	13.7
163.05252	0.7
164.04698	9.1
165.05486	1.2
171.04362	0.3
171.07964	0.4
173.06012	1.4
177.05482	5.8
185.05972	0.7
187.03929	3.6
188.07106	0.5
189.05461	1.9
193.04980	7.8
199.07588	0.6
205.05011	2.7
237.09163	0.9
265.08826	0.6
269.08148	1.5
283.09644	3.1
284.10092	0.3
293.08182	1.4
295.09741	0.5
311.09155	7.2
322.10776	1.3
323.12360	0.5
350.13702	0.5
473.14447	9.1
477.37845	0.3
530.20245	40.9
531.20734	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.8
53.03951	4.6
55.01876	1.6
55.05267	1.4
55.05515	17.5
57.03434	4.1
57.07072	2.1
65.03942	2.9
67.05509	45.3
69.03454	0.9
69.06723	1.3
69.07075	16.1
69.91641	1.4
69.92030	1.9
71.04985	2.6
77.10387	0.7
79.05498	30.9
80.64094	0.7
81.03423	2.2
81.07063	52.6
83.04989	3.6
83.08629	9.8
85.06551	2.2
90.58847	0.8
91.05492	25.8
93.07050	42.6
95.04975	3.1
95.08614	26.4
96.53040	0.8
97.06532	4.1
97.10172	3.1
99.08097	0.8
105.04485	1.2
105.07037	19.9
107.08601	20.4
109.06506	1.4
109.10156	8.9
110.60350	0.8
111.08106	3.6
115.05454	1.4
117.07010	11.6
119.08592	13.9
121.10159	15.9
123.08058	1.3
123.11697	2.3
125.09646	1.4
128.06210	0.8
129.07007	5.4
130.07776	0.9
131.08572	18.5
133.10127	10.6
135.08118	0.9
135.11699	7.2
137.09697	0.8
137.13348	0.8
139.11168	1.1
141.07010	1.9
143.08565	8.5
145.10123	13.3
147.11722	5.5
149.09697	0.8
149.13264	10.9
151.11220	1.3
154.11673	0.9
155.08565	3.6
155.25665	0.8
157.10147	7.3
159.11703	13.4
161.13211	3.8
163.14851	1.3
167.08698	1.4
169.10173	2.8
171.11745	6.7
173.13271	5.5
175.14865	2.2
177.12785	2.7
181.10123	1.6
183.11763	2.4
185.13313	3.2
187.14859	3.4
193.12280	1.2
195.12048	1.6
195.13872	3.8
197.13289	2.5
199.14917	2.8
201.16351	2.1
209.13280	1.9
211.14946	1.2
213.16470	1.9
223.14787	1.3
225.16287	0.8
227.18054	0.9
243.21170	1.0
261.22189	3.1
271.20807	0.8
297.21951	1.3
299.23593	1.5
313.25272	1.1
317.64328	0.8
346.11169	0.8
346.51462	0.9
419.33136	2.5
437.34192	9.8
455.35373	3.1
473.36319	2.4
493.36703	1.3
511.37500	4.2
529.38916	100.0
530.39166	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93522	1.7
55.05515	14.4
57.07066	2.3
59.05014	1.9
65.03961	2.1
67.05508	21.6
69.00130	1.5
69.03427	13.5
69.07073	11.7
70.06596	2.2
71.04993	3.0
71.08665	1.7
71.41260	2.8
79.05497	5.7
81.03414	5.4
81.07061	21.1
83.04984	38.8
83.08614	8.3
83.37975	1.7
85.02911	7.1
85.06533	3.5
85.13043	1.6
90.46432	1.5
91.05489	4.9
93.03400	3.1
93.07069	9.1
93.75391	1.5
94.12753	1.6
95.04958	1.7
95.08614	34.3
97.02879	8.2
97.06578	1.9
99.08099	3.1
105.07028	9.8
107.08598	24.4
109.02880	3.6
109.06522	6.9
109.10165	99.3
111.04447	15.4
111.08083	4.3
119.08594	46.0
121.02871	14.3
121.10154	12.5
123.08082	12.7
123.11720	7.1
125.09661	2.8
127.03934	4.6
133.10146	22.0
135.11702	100.0
137.09615	16.1
139.03917	18.6
145.05003	1.9
149.13272	8.3
151.11154	10.2
151.14818	11.1
156.02901	2.2
157.04973	8.2
165.16364	2.3
166.19511	1.5
175.14841	45.4
176.02589	1.7
193.15898	73.4
211.16948	75.7
267.49344	1.8
283.08243	4.0
293.29715	1.6
301.09207	5.3
301.39960	1.8
303.85715	1.7
317.08386	2.7
319.10245	5.2
408.40747	1.8
529.22742	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	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01870	2.5
55.05279	1.0
55.05518	15.8
57.03428	3.9
57.07061	2.5
57.94330	1.0
65.03934	2.8
67.05510	41.5
69.03452	1.0
69.07072	16.5
69.12391	0.8
71.04986	2.8
71.08646	1.0
77.03920	0.9
79.05504	32.2
81.03422	2.8
81.07062	45.2
83.04984	2.5
83.08619	9.1
85.06545	2.5
90.70132	0.8
91.05486	25.9
93.07050	36.0
95.04983	3.4
95.08617	23.7
97.06548	3.8
97.10175	3.8
97.70517	0.9
99.08092	1.4
99.74088	1.0
103.05529	1.2
104.95456	0.9
105.04525	1.4
105.07047	24.6
107.08609	16.3
109.06505	1.3
109.10164	7.5
111.08113	1.4
115.05459	1.4
117.07027	9.9
119.08595	14.8
121.06486	0.9
121.10162	10.2
123.08085	1.1
123.11705	3.3
125.09628	1.1
128.06226	1.1
129.07021	8.4
131.08574	21.3
133.10130	10.4
135.08041	1.3
135.11713	6.8
139.11230	1.3
141.07022	2.4
142.07849	1.2
143.08595	8.5
145.10150	16.7
147.11688	5.6
149.09663	1.3
149.13264	7.8
155.08601	3.4
157.10150	9.4
159.11711	9.5
161.13272	3.3
163.14929	1.1
167.08582	1.4
169.10168	3.1
171.10495	0.9
171.11658	5.8
173.13239	6.1
175.14905	2.3
177.12833	1.9
181.10133	2.8
183.11745	3.3
185.13322	3.2
187.14844	4.0
189.16571	1.2
195.11760	2.8
195.13843	2.7
197.13298	2.4
199.13145	1.1
199.14850	3.3
201.16435	2.7
209.13319	2.5
211.15038	2.3
213.16426	2.9
223.14919	1.8
225.16493	1.7
227.18005	1.1
243.21144	1.2
259.20770	1.0
261.22266	2.5
267.21259	1.0
283.26212	1.0
311.23724	1.0
317.24939	1.2
325.25281	1.2
329.24927	1.1
339.26682	1.0
419.32916	4.4
437.34256	11.3
455.35239	4.5
473.36157	3.3
493.37036	1.3
511.38080	5.2
529.38959	100.0
530.39471	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	527.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.6
55.01881	4.6
55.05267	1.3
55.05515	20.2
57.03448	4.2
57.07065	2.1
59.04997	1.0
62.20212	1.0
64.78667	0.8
65.03953	2.2
67.05510	50.0
67.67096	0.8
69.03432	1.6
69.06732	1.0
69.07071	13.1
69.20277	9.0
71.04998	2.3
77.03919	1.0
77.49883	0.8
79.05499	30.6
81.03424	26.6
81.07063	38.5
83.04998	4.5
83.08620	13.2
85.02914	1.2
85.06566	1.5
91.05489	30.1
93.07053	26.9
95.04984	9.8
95.08616	21.4
97.06528	3.8
97.10169	9.3
98.20709	1.4
100.47143	0.8
102.21922	0.9
103.05495	1.2
105.04512	1.2
105.07043	23.0
107.04948	3.8
107.08603	17.0
107.40615	0.8
109.06508	2.4
109.10163	17.6
111.08101	3.9
113.46261	1.0
115.05450	2.4
117.07016	11.3
119.08592	19.4
121.06506	1.6
121.10146	12.1
123.08074	1.1
123.11749	2.0
125.09644	5.0
128.06227	2.8
129.07010	12.7
130.07777	1.0
131.08580	23.0
133.06429	0.9
133.10141	12.9
135.08061	1.4
135.11700	6.7
137.09616	1.7
141.07007	3.7
142.07785	3.2
143.08557	13.6
145.10130	15.8
147.08049	1.6
147.11720	6.8
149.09634	2.2
149.13246	3.8
154.59514	0.9
155.08568	7.5
155.76471	0.8
156.09303	1.3
157.10150	14.2
159.08083	1.5
159.11710	10.6
161.13271	3.6
163.11197	1.8
163.84140	0.9
165.12816	1.2
167.08578	3.0
169.10143	8.9
171.11691	9.9
173.11754	2.6
173.13283	7.4
175.11185	2.3
175.14783	2.0
181.10167	3.8
183.11728	8.1
185.13280	6.7
187.14847	2.9
189.11237	3.2
193.10374	1.5
193.12241	11.2
195.11658	4.3
197.13208	5.8
199.14890	4.1
207.11772	1.6
209.13274	3.5
211.14867	3.3
213.16458	2.6
223.14798	3.4
225.16475	1.4
236.39366	0.9
237.16371	1.4
239.17912	1.3
241.19653	1.0
243.21013	1.6
249.14684	1.6
261.22220	3.9
273.21671	1.0
278.53879	1.0
283.20761	1.0
297.22314	1.2
299.23846	1.5
301.25223	2.2
309.22144	1.6
311.23755	1.2
315.23120	0.9
323.23691	1.4
327.23160	1.7
329.24915	1.1
337.25323	1.0
343.69846	0.9
347.23730	0.9
355.17172	1.3
365.25064	1.0
383.24130	1.9
407.33286	1.6
417.31442	4.2
425.34348	1.4
435.32568	14.8
453.33710	11.0
471.34680	4.8
473.34906	1.0
509.36514	5.8
527.29108	4.8
527.37347	100.0
528.37714	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79031	5.8
85.02927	1.6
98.21403	2.6
98.97580	2.0
109.80555	1.4
115.05468	2.2
117.06991	1.8
118.06557	20.8
120.92798	1.3
126.42559	1.5
132.08075	5.7
133.35625	1.2
142.06538	1.8
143.07275	3.2
144.08090	10.0
146.06015	57.3
153.01816	2.0
156.67795	1.3
159.09190	6.3
160.07706	1.7
170.06032	5.4
188.07071	100.0
205.09729	39.5
244.68181	1.5
257.18127	1.4
358.55667	1.6
471.42072	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.1
53.03962	4.0
55.01857	2.6
55.05510	13.4
57.03437	4.0
57.07055	2.6
65.03934	1.9
67.05506	32.5
69.03424	1.2
69.07075	10.0
69.49628	3.8
69.50026	2.2
71.04994	2.1
76.74487	0.8
79.05495	23.3
81.03417	13.6
81.07059	24.8
83.04972	3.1
83.08611	8.7
85.06528	1.0
91.05480	24.2
93.07048	22.2
95.04985	5.6
95.08602	17.7
95.09173	1.3
97.06524	2.4
97.10158	4.8
99.08067	1.0
103.05467	1.1
105.07034	18.7
107.04975	2.4
107.08597	13.7
109.06529	1.7
109.10171	9.8
111.08089	2.7
115.05456	2.5
116.57979	0.8
117.07018	13.6
119.08582	16.5
119.09380	1.6
121.06535	0.9
121.10141	9.6
123.08063	2.1
123.11744	1.3
125.09622	2.7
128.06235	3.5
129.07018	12.5
130.07777	1.5
131.08568	21.8
133.10146	11.0
135.08110	0.9
135.11691	5.5
137.09602	1.8
141.07005	3.7
142.07797	3.3
143.08568	15.0
144.09370	1.4
144.65372	1.0
145.10121	17.2
147.08086	1.6
147.11711	7.2
149.09549	1.0
149.13258	2.4
151.11224	1.0
155.08568	9.7
156.09317	2.4
157.10124	15.3
157.11322	1.3
159.11702	12.5
161.13286	4.2
163.14764	1.0
167.08575	2.0
168.09377	1.1
169.10146	10.9
171.11679	13.1
173.09633	1.0
173.13261	8.1
175.11241	2.5
175.14943	1.7
177.12868	1.0
179.08536	1.1
181.10146	5.7
183.11716	9.3
185.13268	8.0
187.14850	3.6
193.10326	1.7
193.12263	5.2
194.10785	0.9
195.11708	5.8
197.13283	7.2
199.13249	1.2
199.14836	6.1
201.16406	1.1
207.11684	2.4
209.13252	4.0
211.14838	4.1
213.16434	2.0
221.13289	2.2
223.14845	3.0
225.16463	1.9
231.17628	0.9
235.14828	1.6
237.16473	1.9
239.17960	1.2
251.18073	1.3
261.22177	2.5
283.20850	1.4
285.18466	1.1
295.20697	1.2
297.22269	1.4
299.23727	1.8
309.22070	1.8
311.23666	2.1
323.23709	2.4
327.23160	1.7
341.24896	1.6
355.26355	1.0
367.26172	1.1
407.32935	1.0
417.31567	6.4
425.34384	1.0
435.32669	19.4
453.33640	8.5
457.12994	0.9
471.34677	4.5
473.34424	2.0
491.35318	2.3
509.36392	7.7
527.37341	100.0
528.37561	3.2
542.97327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25400	0.6
53.03938	2.5
55.01860	2.1
55.05270	1.0
55.05516	16.2
57.03429	2.9
57.07071	2.9
65.03934	1.9
67.05509	36.0
69.03427	1.3
69.07074	11.4
71.04990	2.7
71.08630	1.2
76.73555	0.6
77.03890	0.6
79.05495	20.7
81.03418	4.9
81.07062	28.6
83.04998	3.0
83.08626	8.1
85.06553	1.6
85.10215	0.9
91.05486	20.3
93.07051	19.7
95.04952	3.0
95.08613	19.8
97.02890	0.9
97.06525	2.0
97.10165	4.5
98.20718	1.5
99.08102	0.8
103.05454	0.9
105.07035	21.4
106.14548	0.8
107.04947	1.2
107.08600	12.1
109.06527	2.3
109.10158	14.4
111.04475	0.7
111.08063	1.6
115.05457	2.1
117.07026	12.8
119.08581	16.1
119.41503	0.7
121.06518	1.1
121.10159	7.2
123.08048	1.7
123.11718	2.4
125.09644	2.8
128.06212	4.7
129.07007	12.7
130.07816	1.0
131.08575	21.1
133.06532	1.0
133.10143	13.5
135.08057	1.2
135.11682	5.0
137.09647	1.1
141.07024	4.2
142.07785	3.1
143.08575	16.7
144.09323	0.9
145.10129	15.8
147.08035	1.0
147.11687	4.7
149.09654	1.2
149.13274	2.2
151.11200	2.7
151.51460	0.7
154.07759	1.1
155.08554	11.4
155.10576	0.8
156.09363	1.8
157.10136	16.0
159.07982	0.7
159.11705	11.1
161.09537	1.6
161.13280	2.3
163.11147	1.0
163.14755	0.9
167.08635	4.7
168.09360	0.8
169.10132	12.6
170.10944	0.8
171.11700	13.0
173.09636	1.0
173.11760	1.7
173.13290	6.2
175.11247	1.0
175.14850	1.2
177.12744	0.7
179.08534	1.0
180.09286	1.0
181.10138	5.9
182.10843	0.8
183.11719	11.2
185.13258	9.3
187.14868	2.4
189.12715	0.9
193.10228	1.7
193.12256	0.7
194.10796	0.8
195.11662	5.5
197.11621	0.8
197.13272	9.0
199.14842	5.8
201.16489	0.8
207.11682	2.8
209.13266	4.2
211.14865	5.6
213.16426	2.6
215.12740	1.5
221.13313	3.0
223.14856	4.1
225.16365	2.5
230.03032	0.7
235.14877	1.8
237.16469	2.4
239.18002	1.9
241.16011	1.0
241.19551	1.1
249.16399	1.2
251.18015	1.5
253.14333	1.0
253.19472	1.3
256.26443	0.7
257.18954	0.8
257.26828	0.7
259.20645	0.9
263.18085	0.8
268.10004	0.7
277.19473	0.8
279.21027	1.1
283.20700	0.8
295.20483	1.3
297.22153	1.3
301.21756	1.1
309.22208	1.6
311.20374	0.7
311.23917	2.0
315.23380	1.7
321.22284	0.7
323.23688	2.6
325.21619	0.8
325.25342	1.5
335.23572	1.2
337.25153	1.1
339.23175	1.3
341.24780	1.8
349.25281	1.3
353.24750	1.3
357.24039	0.9
367.26608	1.0
369.28079	0.8
383.24420	0.9
407.33072	1.6
417.31595	6.6
425.34332	0.9
435.32697	18.7
453.33685	9.6
471.34875	4.4
473.34015	2.0
488.94931	0.7
491.35406	2.2
509.36340	10.4
515.87622	0.7
527.37311	100.0
528.37451	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	527.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01871	2.8
55.05516	5.3
57.03437	2.1
57.07079	1.4
61.02929	0.9
67.05177	1.1
67.05508	13.9
69.03430	2.7
69.07076	3.5
71.04987	2.7
73.02924	1.0
77.26538	0.6
79.05502	8.3
81.03412	5.5
81.07057	9.0
83.04977	3.3
83.08622	3.1
85.02915	2.8
85.06538	0.9
85.99689	0.6
91.05495	7.4
93.07045	6.7
95.04986	2.8
95.08615	4.4
97.02917	1.8
97.06533	2.0
97.10165	2.2
105.07026	5.3
107.04974	1.7
107.08578	5.0
108.75062	0.6
109.02887	1.0
109.06516	1.3
109.10160	8.1
111.04438	1.7
111.08112	2.1
117.07034	2.6
119.08578	4.4
121.06592	0.8
121.10117	3.0
123.08044	1.0
125.09634	3.0
126.52696	0.7
127.03951	0.7
127.11179	0.8
129.07016	1.7
131.08528	3.2
133.10132	3.1
135.08099	1.2
135.11690	2.9
137.05893	0.7
137.09656	1.0
141.06923	0.6
143.08595	2.0
145.10149	3.2
147.08054	0.7
147.11775	1.5
149.09674	2.0
151.11168	0.9
155.08620	0.8
155.10686	0.8
157.10089	1.4
159.11729	1.4
161.09608	1.1
163.11246	2.3
168.26675	0.6
169.10315	0.9
171.11693	0.7
173.09677	1.5
173.11780	1.1
175.11281	0.8
176.20177	0.7
183.11787	0.7
191.10709	1.0
193.12314	1.8
203.05276	3.4
209.11714	3.2
211.13330	1.6
227.12868	1.8
229.14381	0.9
236.20273	0.7
267.16077	0.9
273.18466	0.9
283.15384	1.7
299.14966	0.9
346.12418	0.7
347.22089	1.1
347.25632	11.8
365.26743	1.2
367.24881	0.7
421.40503	0.7
476.91193	0.7
509.27744	1.1
527.32019	100.0
528.32391	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	527.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.8
55.01874	12.7
55.05514	48.4
57.03440	17.7
57.07074	3.8
59.04994	7.0
61.02932	14.1
65.03944	5.1
67.05508	100.0
69.03432	25.7
69.07079	26.2
69.55593	4.9
69.56001	9.4
71.01344	3.5
71.05013	12.1
73.02916	8.2
79.05497	44.3
81.02991	3.4
81.03428	43.6
81.03914	2.3
81.07061	49.2
83.04990	16.7
83.08630	19.1
85.02908	25.1
85.06552	2.5
87.04517	2.9
91.03972	5.1
91.05481	31.9
93.07038	32.2
95.04967	14.0
95.08610	19.6
97.02901	26.1
97.06544	9.4
97.10165	23.4
97.82346	1.9
98.21037	7.7
99.04462	7.2
101.02364	4.7
103.03980	2.3
103.05486	2.0
105.07035	23.3
107.04993	11.6
107.08599	22.6
109.02884	8.3
109.06514	6.7
109.10162	52.3
111.04440	7.1
111.08088	7.4
117.07005	13.7
119.08578	21.0
121.06505	8.2
121.10139	8.8
123.04472	3.0
123.08096	10.5
123.11675	3.0
125.05957	2.0
125.09624	20.0
127.03929	10.3
127.11174	2.9
128.06192	4.3
129.05475	3.6
129.07011	8.1
131.08594	11.0
133.06491	3.0
133.10094	10.8
135.08058	6.4
135.11717	8.1
137.09589	6.1
141.06856	3.3
143.08569	6.4
145.06458	2.6
145.10144	13.2
147.08067	6.6
147.11684	4.7
149.09631	4.9
149.13278	6.0
151.11171	3.8
153.12758	4.4
155.10678	4.2
157.10173	5.4
159.11703	5.4
161.09703	2.9
163.11197	11.9
165.09184	2.5
165.12917	3.0
173.04515	3.0
173.09616	2.9
173.11774	16.3
173.13100	3.5
181.12334	3.4
185.09654	2.6
185.13210	2.1
189.11220	11.4
189.12749	2.6
193.12309	10.6
196.27420	2.1
209.11714	4.5
211.13332	8.2
218.78613	2.0
223.13283	12.9
227.12703	7.2
229.14427	10.4
231.86551	2.1
249.14821	2.6
267.15918	3.9
273.18399	14.2
283.15448	4.0
291.19556	68.2
317.49347	2.1
347.22211	5.1
350.77377	1.9
365.23376	16.8
383.24478	2.9
423.27396	6.7
471.15048	2.1
497.18173	2.2
509.27951	5.3
527.28296	35.4
528.28906	2.9
539.67053	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	527.2855
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
50.32534	0.9
52.62848	0.8
53.03954	4.7
55.01863	3.9
55.05265	1.4
55.05513	16.7
57.03440	5.3
57.07061	1.5
57.72247	0.9
59.04989	4.1
64.44573	0.8
65.03929	3.5
67.05508	100.0
69.03429	13.4
69.07072	5.7
70.68562	1.5
70.68900	2.0
71.01370	1.2
71.05006	6.8
71.19379	0.8
79.05494	12.1
81.03422	42.2
81.06593	1.6
81.07061	24.2
83.04989	9.4
83.08625	9.9
85.02896	5.4
85.06538	2.9
91.05482	17.5
93.07048	11.2
95.04996	4.4
95.08604	8.4
97.02907	7.6
97.06499	1.3
97.10170	7.2
99.04454	1.7
105.07034	5.2
107.04928	2.2
107.08594	7.2
109.02891	7.2
109.10163	78.2
111.04433	9.0
111.08088	3.3
111.60629	1.0
115.05485	0.9
117.07012	2.5
119.08586	10.0
121.10139	3.3
125.09657	5.7
127.03932	9.6
128.06169	1.0
129.06995	3.7
131.08551	4.0
133.06543	1.1
133.10129	3.8
135.08086	1.7
135.11745	1.2
137.09572	3.5
139.11183	1.3
143.08606	2.2
143.10626	1.6
145.10127	2.7
147.11734	1.1
151.11201	1.0
155.08583	1.7
155.10707	7.0
157.10135	1.9
159.11667	1.1
161.09660	1.0
161.13403	1.1
163.11230	1.5
169.10062	1.1
171.11705	1.3
173.04611	0.9
173.11752	25.8
185.13232	1.2
189.11256	4.7
193.12222	1.4
195.11610	1.1
205.12411	0.9
209.11691	2.1
213.14699	1.0
213.16565	1.0
227.12781	2.6
229.14363	4.5
234.66891	0.8
257.13705	1.2
277.33759	0.8
281.13812	1.9
299.14941	9.3
314.92453	1.0
337.16443	1.1
355.17639	6.7
383.24377	7.2
527.28418	63.4
527.35791	4.1
528.28687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52094	1.5
55.01864	2.3
55.05511	14.0
57.03447	11.5
57.07067	6.6
58.23626	1.5
59.05009	4.4
62.57624	1.4
65.03928	3.7
67.05508	100.0
69.07075	18.2
71.04999	2.0
71.08628	4.6
71.51980	3.1
79.05505	10.9
81.07056	44.5
82.07366	1.8
83.04962	1.7
83.08604	9.9
83.91137	1.5
85.06560	3.0
85.10198	2.1
87.04492	1.9
89.06033	34.2
91.05488	12.2
93.07047	11.8
95.08619	31.8
95.62698	1.4
97.06550	2.1
97.10161	3.8
105.07044	5.0
107.08607	5.8
109.10162	73.4
111.08103	3.9
111.11761	1.8
119.08578	7.4
121.10139	4.1
123.11713	4.4
132.92401	1.5
133.08607	24.6
133.10153	5.4
135.11736	3.7
137.09631	2.3
137.13335	1.7
140.61349	1.9
147.11723	3.4
155.10684	4.4
161.13196	2.2
173.11713	18.5
177.11232	6.9
177.58003	1.6
211.95966	1.7
229.14362	74.9
239.14836	2.0
245.22701	2.3
263.23709	4.2
327.20142	14.2
337.27383	81.4
491.37366	50.1
553.50739	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	527.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
54.59682	2.4
55.01896	3.3
55.05514	9.6
57.03436	4.0
57.07071	2.7
67.05497	13.7
67.79125	2.2
69.03435	8.7
69.07085	9.3
71.04995	3.1
71.51869	2.9
79.01849	2.6
79.05488	18.6
81.03426	18.9
81.07050	20.1
83.05001	6.8
83.08651	3.7
85.02924	13.3
85.06551	40.4
87.04456	2.6
91.05481	13.5
93.07050	31.4
95.05001	6.4
95.08595	12.9
96.86250	2.5
97.02910	10.2
97.06528	12.9
99.04460	4.2
99.08114	4.3
105.07030	17.7
107.08599	22.0
109.02846	6.4
109.06522	2.7
109.10183	8.3
111.04483	5.1
111.08108	3.2
117.28352	2.1
119.08550	13.5
121.06510	6.3
121.10146	34.7
123.08119	4.9
125.02351	4.9
125.09650	2.5
127.03943	10.2
128.06323	3.0
131.08601	7.0
133.10176	7.9
135.08112	3.6
135.11720	7.5
137.09648	5.6
138.09122	3.4
139.11272	2.6
143.03450	6.7
145.10141	5.5
147.11722	4.9
149.04750	2.7
149.05905	2.9
149.09598	4.6
149.13254	15.5
153.01846	100.0
153.02820	5.4
154.02151	4.0
157.10103	3.0
159.11748	10.0
161.09598	2.7
161.13351	4.6
163.11171	2.6
167.14359	3.0
168.25223	2.3
171.02950	7.8
177.12767	22.9
177.16374	4.0
179.14301	4.2
189.12781	6.0
193.12227	4.7
195.12302	3.3
195.13780	17.1
195.17545	3.4
207.13612	3.2
209.11797	5.2
213.14786	3.2
213.18434	3.0
271.70679	2.7
303.15900	5.9
314.08228	2.4
314.11935	2.9
315.07108	6.0
321.16968	5.5
339.18088	5.9
364.96420	5.3
477.14258	2.7
527.23889	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	526.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81036	0.4
51.91390	0.3
55.01854	0.3
61.02909	0.7
69.03410	0.6
71.51202	0.5
78.04705	1.5
79.05475	0.9
81.03388	0.5
81.07067	0.4
85.02916	2.6
88.81542	0.4
97.02885	1.0
98.97566	1.0
102.06384	0.3
106.04156	1.4
107.04978	0.5
109.02871	1.0
123.04433	4.5
124.05215	1.3
127.03870	0.4
145.04959	0.5
146.24239	0.3
151.03923	0.6
152.04730	1.4
153.01825	1.3
167.07040	100.0
168.07401	0.8
169.26631	0.4
180.08562	0.4
210.96593	0.4
211.50082	0.3
220.12021	0.3
303.01413	0.6
362.01505	0.4
375.05139	0.4
399.82816	0.3
411.14551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.1
55.01861	1.6
55.05486	1.5
57.03429	5.1
59.24611	1.5
61.02921	2.6
62.03801	1.5
67.05513	2.9
69.03437	8.7
69.78455	3.4
69.78850	4.3
70.06583	2.6
75.04481	13.3
79.05489	7.1
81.03423	4.9
81.07067	10.7
83.06113	1.6
84.65469	1.5
85.02910	30.0
87.04446	3.8
89.92096	1.6
91.05478	11.2
93.07047	80.8
95.04968	3.9
95.08606	7.2
97.02901	11.3
97.06514	2.4
98.21455	2.0
99.04414	2.0
105.07026	7.2
107.08588	7.9
109.02881	4.2
109.06451	1.9
109.10144	1.9
110.07170	9.4
111.08079	13.0
111.43513	1.7
119.08585	4.2
119.22182	2.1
121.06508	1.8
121.10147	100.0
123.11670	2.8
125.05976	3.5
127.03912	8.9
131.08557	3.9
137.05928	1.7
139.11191	20.5
145.04967	11.8
145.10077	1.9
149.09644	19.5
153.01817	3.2
156.07684	2.7
161.09457	1.4
163.06001	5.5
167.10690	68.9
167.12128	3.7
184.68724	1.5
242.49310	1.8
255.10132	1.9
259.28732	1.5
291.23129	1.5
293.13913	1.6
311.14853	5.3
364.18555	7.5
364.27057	3.9
365.13580	3.4
409.22516	1.9
526.30975	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	525.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	4.4
55.01856	2.2
55.05514	18.7
57.07078	54.1
59.05017	3.4
61.31038	1.4
65.03938	3.2
67.05507	98.2
69.07074	16.6
71.04996	70.7
71.08634	36.2
71.51879	2.0
76.55043	1.7
79.05498	21.9
81.03448	3.4
81.07062	51.2
81.07537	3.5
83.04983	12.6
83.08616	20.0
85.06566	4.5
85.10188	23.1
89.06055	4.0
91.05482	28.5
93.07047	25.7
95.04984	2.8
95.08612	49.2
97.06551	6.9
97.10177	7.6
105.07035	3.5
107.05000	1.6
107.08578	16.4
107.42922	1.8
109.06541	2.6
109.10157	76.3
111.08085	2.3
117.07035	5.6
119.08575	19.3
121.10160	6.4
123.11735	4.9
127.56894	1.7
129.07065	2.8
131.08612	2.9
133.08641	1.5
133.10138	2.9
135.11688	22.6
137.09621	31.0
137.10587	2.6
137.13283	2.3
138.64006	1.6
145.10104	10.3
147.11790	1.7
153.12848	2.3
154.46730	1.5
155.10707	6.1
163.11201	4.5
169.12225	11.2
173.11789	2.7
181.12248	9.3
187.13379	1.6
221.22635	2.3
239.23679	9.8
255.15868	2.6
269.17621	3.0
271.15488	5.2
313.27344	3.0
339.29355	3.2
341.26917	5.1
354.77460	1.9
433.31119	2.1
444.98233	1.5
467.44788	1.5
481.38876	34.6
493.39108	3.0
525.41626	100.0
526.41620	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	525.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42048	11.8
55.05502	18.5
65.81694	10.3
65.82051	10.9
67.05496	28.1
69.03426	14.9
69.07066	42.2
70.05876	45.8
79.05491	32.5
81.07063	100.0
83.08628	20.2
85.02933	11.7
85.06546	33.0
93.07044	61.2
95.08627	74.0
97.02895	16.0
105.07024	14.1
105.46513	14.3
107.08579	45.2
109.10134	64.1
111.08080	14.7
119.08580	15.0
121.10121	14.8
123.11708	33.6
124.41217	13.7
133.10141	12.7
135.11702	35.2
137.13240	17.5
147.11719	12.9
149.13264	31.9
153.01849	42.7
156.12518	12.2
291.26752	22.8
309.27814	41.2
354.59143	11.2
403.34409	11.9
525.22992	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	525.364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	23.2
57.07059	14.3
61.78206	7.1
64.23831	7.1
66.19618	7.0
67.05509	38.0
69.03423	12.0
69.07070	57.6
69.94858	31.0
73.97537	10.1
74.53430	7.6
79.05497	21.4
81.03404	13.0
81.07067	100.0
83.08611	20.3
84.07306	8.1
85.02907	24.9
85.06539	31.4
91.05490	21.3
93.07040	45.2
95.08604	79.8
97.02909	10.7
97.10136	13.8
98.21526	11.2
99.08108	12.8
105.07050	23.9
107.08620	48.9
109.02897	10.5
109.10174	78.3
119.08606	32.4
121.10160	25.1
123.08073	8.5
123.11708	40.9
127.03906	11.3
133.10124	17.4
135.11711	59.9
137.13266	23.5
147.29788	7.7
149.13307	31.7
150.84280	9.4
153.01833	91.4
153.12737	10.2
163.14819	13.8
165.16418	7.7
168.78720	6.9
171.02893	13.4
175.14813	18.9
177.16451	10.2
193.15906	30.6
199.14836	10.5
213.18529	18.5
235.20589	10.8
257.27539	7.5
279.26797	14.1
291.26840	31.3
297.27817	11.5
309.27908	29.3
327.28918	19.1
436.15567	8.4
449.30563	7.9
481.24234	12.1
525.17615	12.8
525.23822	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	525.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64738	3.8
53.03939	10.0
55.01867	12.8
55.05516	40.8
57.03430	7.4
59.04985	9.6
63.75434	3.4
65.03925	6.4
67.05506	65.3
69.03423	8.6
69.07077	23.4
69.52417	25.8
71.04996	35.0
79.05500	86.8
81.03423	71.9
81.07066	66.1
83.04995	25.2
83.08624	32.8
85.02893	6.3
85.06539	8.9
87.04479	6.0
91.05490	71.7
93.07056	62.7
95.04980	33.5
95.08612	28.6
97.02921	5.7
97.06522	15.8
97.10188	20.9
98.20836	6.0
98.21385	7.2
99.04464	6.1
103.05454	4.5
105.07042	52.2
107.04932	21.5
107.08607	53.9
109.06498	14.7
109.10145	16.9
111.04445	11.8
111.08108	18.0
115.05454	4.3
117.06996	12.4
119.08582	36.4
121.06503	12.3
121.10155	48.3
123.04415	6.6
123.08070	10.0
125.05949	5.3
125.09620	16.9
129.07033	18.9
131.08598	33.4
132.37579	3.8
133.06448	3.9
133.10144	35.4
135.04396	12.0
135.08058	6.1
135.11670	13.5
137.05952	12.5
137.09666	5.0
142.07768	6.3
143.08525	8.1
145.06520	4.0
145.10150	12.8
147.08058	10.3
147.11674	35.0
149.09630	44.5
151.07510	5.2
151.11134	5.1
153.09093	10.6
153.12720	11.6
155.08603	4.3
157.10175	29.6
161.09558	5.1
163.11195	15.5
165.12808	4.2
167.10690	10.5
169.10088	4.6
171.10185	5.5
175.11171	28.8
181.12213	9.5
185.13330	5.7
187.11246	5.0
189.11234	12.2
189.12801	6.4
191.10640	5.5
193.12260	84.3
195.11728	4.8
197.13306	4.7
197.15459	6.9
199.13257	10.9
209.11696	8.9
210.81964	3.2
211.11343	7.6
211.13298	100.0
213.12939	5.1
223.13272	4.5
225.14920	22.3
227.12785	18.9
231.13834	8.3
235.13351	7.6
249.14896	28.6
267.16071	12.9
283.15353	8.7
337.21634	5.6
355.22632	10.2
365.20975	10.0
373.23611	7.4
383.22125	32.8
401.23288	33.4
415.24878	7.3
419.24295	6.7
433.25833	19.7
447.27783	4.3
451.26791	4.6
452.79099	4.8
457.25735	10.7
465.28888	3.7
475.26999	25.6
489.28537	7.7
493.28043	29.2
507.29471	55.7
525.30695	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	525.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.6
55.01870	18.0
55.05278	4.1
55.05516	52.9
57.03437	15.3
57.07065	8.6
59.04991	16.2
65.03924	8.3
67.05179	8.1
67.05506	94.2
69.03426	8.7
69.07065	22.9
70.96109	13.0
71.05003	39.4
79.05495	98.3
81.03418	84.7
81.07069	92.4
83.04968	33.6
83.08623	38.6
85.02904	12.7
85.06528	20.3
87.04462	6.5
90.74205	4.5
91.05491	91.1
93.07051	84.4
95.04972	40.0
95.08604	47.5
97.06535	17.7
97.10188	31.2
99.08099	5.2
105.07042	60.4
107.04958	22.5
107.08602	63.3
109.06528	21.2
109.10134	21.1
111.04447	12.7
111.08105	20.9
117.07023	18.3
119.08598	46.8
121.06525	15.9
121.10146	65.2
123.04404	9.6
123.08086	15.0
123.11745	5.2
125.06001	5.1
125.09650	24.5
128.06248	4.4
129.07018	30.2
131.08563	36.8
133.06476	12.8
133.10173	35.3
135.04372	9.2
135.08058	9.9
135.11691	17.3
137.06021	6.5
137.09642	10.5
142.07780	6.4
143.08580	5.3
145.06496	9.2
145.10091	21.6
147.11691	38.4
149.09619	42.5
153.09126	6.7
153.12787	8.9
157.10184	30.4
159.11632	7.3
163.11194	23.3
165.12808	6.2
167.10645	8.2
169.10182	4.7
173.09647	8.5
175.11186	33.2
175.14850	4.9
181.12263	12.2
183.11780	6.7
183.63191	4.3
185.13301	9.4
189.11195	11.0
191.10693	12.4
193.10469	6.7
193.12241	83.1
197.15375	11.2
199.13286	11.2
201.12775	5.2
203.14412	6.8
205.12222	7.8
207.13802	5.3
209.11771	14.4
211.13306	93.4
221.15468	5.8
225.14857	20.9
227.12820	18.0
235.13220	6.1
247.13443	5.2
249.14931	21.2
259.15332	5.8
267.15909	15.5
283.15384	11.1
337.21518	11.1
355.22623	14.8
365.21133	11.8
383.22128	27.9
401.23315	25.9
415.25089	8.0
421.25604	8.8
428.88940	5.6
433.25800	18.7
457.25867	9.1
475.26697	26.0
489.28433	5.5
493.28046	23.9
507.29617	56.3
525.30603	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	525.2338
Annotation	Mascaroside
Peak:m/z	Relative Intensity
51.02388	0.6
53.03946	0.6
55.05515	3.9
55.19233	0.4
56.41034	0.4
57.03431	0.7
57.07072	1.3
59.04996	1.0
67.05508	7.9
69.03434	4.8
69.07071	6.1
69.56245	0.9
69.56648	2.4
71.04993	1.6
79.01856	2.6
79.05484	1.8
81.03419	6.3
81.07060	8.9
83.04990	4.3
83.08636	2.3
85.02920	3.5
85.06541	1.8
91.05490	1.8
93.07050	4.6
95.08613	16.5
97.02899	5.9
97.06547	0.5
97.10179	0.8
98.20703	0.5
99.04456	1.0
99.08125	1.1
105.07044	3.6
107.01324	1.6
107.08607	10.9
109.02887	4.7
109.06538	4.5
109.10165	44.1
110.10509	0.6
111.08085	1.7
111.11737	0.5
112.87747	0.5
113.09631	0.8
119.08588	17.5
121.10155	6.1
123.08089	6.4
123.11709	4.5
125.02365	4.1
125.09631	0.9
127.03938	6.9
133.10147	10.5
135.11703	49.3
136.12016	0.6
137.09615	6.2
139.11194	1.5
143.03406	3.9
145.04968	1.8
147.11732	0.8
149.13275	2.8
151.11185	3.7
151.14833	6.2
153.01840	100.0
153.02876	4.8
153.12721	1.1
154.02209	0.6
159.19641	0.5
159.27176	0.5
164.08070	0.4
165.16435	1.3
171.02899	12.0
175.14836	19.0
177.16077	0.4
193.15894	29.4
211.16953	26.4
212.17169	0.7
234.18195	0.4
274.78888	0.5
279.04852	0.8
297.06064	6.6
315.07138	8.0
363.23804	0.5
411.02600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2325
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
53.03951	1.2
54.46097	0.7
55.05510	1.3
60.89070	0.8
67.05501	3.3
69.03429	1.2
69.07055	1.5
71.04985	0.8
71.52266	1.2
79.05484	2.3
81.03399	1.1
81.07060	2.6
83.08643	1.4
85.02918	1.3
85.06547	1.2
86.09747	0.7
91.05494	2.2
93.07053	2.0
95.08625	3.1
97.02908	1.1
99.08109	0.8
104.07942	0.8
105.07038	2.4
107.04950	1.1
107.08615	2.0
109.10206	1.4
111.04444	0.8
119.08586	1.5
120.07907	0.8
121.10157	1.5
123.11755	1.1
124.07687	0.9
127.03897	0.9
131.08594	0.9
133.10149	1.6
135.08112	0.9
135.11624	1.2
136.41661	0.7
152.07039	1.2
153.01819	2.2
163.11176	0.8
165.09142	0.9
193.15851	0.9
217.19884	0.8
243.04889	1.0
259.16895	1.4
261.18219	0.8
277.17877	6.2
289.05350	1.2
367.17090	1.6
409.18375	2.4
421.22012	1.3
439.23105	10.2
463.23032	2.2
465.13058	0.9
481.24155	48.4
482.24759	1.2
507.22110	3.3
525.23138	100.0
525.30060	6.9
526.23560	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	525.2354
Annotation	Mascaroside
Peak:m/z	Relative Intensity
53.03942	4.7
55.01866	2.8
55.05521	11.6
57.03429	4.3
57.07069	4.9
59.04998	2.5
59.84576	1.8
61.02872	1.7
63.48322	1.7
67.05508	23.8
69.03431	13.9
69.07071	15.3
71.04998	4.5
71.51502	3.0
79.01831	2.9
79.05497	10.1
80.38398	1.9
81.03410	14.3
81.07053	30.1
83.04985	9.0
83.08628	6.0
85.02923	9.5
85.06541	10.0
86.09660	2.2
91.05492	12.8
93.07036	18.0
95.04980	4.6
95.08614	33.9
97.02896	15.3
97.06523	5.0
97.10181	3.5
99.08096	9.0
105.07012	14.0
107.01328	2.3
107.04990	2.7
107.08597	29.5
109.02866	8.0
109.06517	11.4
109.10157	84.4
111.08055	4.5
113.09692	2.0
117.07030	2.9
119.08585	38.8
120.08128	2.6
121.06516	2.2
121.10146	19.5
123.08060	15.0
123.11684	13.5
125.02340	3.2
125.09631	3.5
127.03904	10.9
127.11161	2.2
131.08585	2.1
133.10133	24.2
135.08041	2.3
135.11691	76.8
137.09605	16.1
137.13243	2.2
139.11200	2.0
143.03415	2.9
145.10123	4.0
147.04391	2.4
147.11626	4.6
149.13242	8.7
151.11201	9.1
151.14833	8.4
152.06197	2.0
153.01836	100.0
153.02901	5.0
154.02101	2.2
163.11166	3.9
165.12718	2.1
167.07039	2.2
167.13646	1.9
167.82303	2.1
171.02864	5.7
173.09676	2.5
175.14838	35.9
184.07434	2.3
186.15875	2.1
193.15894	46.5
209.11667	2.3
211.16925	38.8
211.18796	2.8
223.20567	2.0
227.12834	3.8
259.20679	8.1
283.15430	2.2
297.05945	2.5
305.61304	1.9
315.07205	18.1
347.10306	2.6
409.22437	2.0
439.23431	3.1
481.23807	7.6
507.22003	2.8
518.53473	2.0
525.22931	15.2
525.29810	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	524.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
56.05034	1.4
57.03435	1.1
57.07081	4.6
58.06622	1.5
58.15997	0.5
58.46238	0.5
60.08168	15.4
67.05511	2.0
69.07076	1.3
70.87313	0.5
71.07379	7.2
71.08640	3.5
79.05480	1.0
81.03413	2.7
81.07048	2.7
82.07375	0.6
83.08622	2.0
85.02947	0.6
85.10188	2.0
86.09711	50.0
91.05495	1.2
93.07064	0.6
95.08604	2.2
98.98499	4.3
104.10751	97.7
105.07036	1.1
109.06583	0.6
109.10151	1.1
117.71203	0.5
119.08612	0.5
121.10120	0.7
125.00015	30.2
158.90926	0.5
163.01549	0.8
181.15181	0.5
184.07355	100.0
185.07813	0.7
193.12239	2.1
194.12593	1.5
211.13345	0.8
212.13634	0.5
254.72244	0.5
258.10950	1.3
267.15817	1.1
268.16327	0.7
313.27335	0.7
314.27713	1.5
341.30499	1.6
506.35950	8.8
512.73932	0.5
524.37042	26.5
525.37158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98848	1.3
53.03948	2.7
55.05511	10.5
57.03442	14.8
57.07084	5.9
59.04995	2.7
59.62917	1.1
61.95052	1.2
62.87220	1.2
63.79972	1.1
64.03968	1.3
65.03931	3.5
67.05511	100.0
68.05827	1.5
69.07072	6.7
71.05002	3.3
71.08636	2.8
79.05497	19.4
81.03440	6.0
81.07062	38.5
81.07533	2.4
82.03750	1.4
83.08636	8.9
85.06566	2.2
85.10181	1.5
91.05489	14.0
93.07050	22.7
95.04966	4.6
95.08614	25.9
97.06583	1.6
97.10162	3.8
98.21507	3.6
99.08131	1.4
105.07053	8.3
106.40110	1.2
107.08598	11.5
109.06503	1.4
109.10166	65.7
111.08106	2.1
117.07042	2.7
119.08604	8.9
121.10147	7.8
123.11723	4.2
125.17359	1.2
131.08591	3.6
131.94646	1.2
133.10149	2.7
135.11739	5.9
137.09645	3.6
145.10159	3.2
147.11664	3.0
149.13281	3.7
155.10678	5.6
159.11749	3.1
163.14862	2.0
173.11757	16.7
173.13185	2.8
193.12312	2.2
194.12560	1.9
229.14381	62.1
243.21211	2.1
261.22110	7.9
267.15930	1.6
268.16327	2.6
313.27417	2.3
314.27682	3.7
335.25836	48.7
489.35748	22.5
506.38776	2.2
524.39868	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	525.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	3.7
71.49004	1.0
71.95264	2.1
98.97591	100.0
106.75758	0.8
116.98633	42.3
127.51591	0.7
134.99664	10.4
140.00259	0.7
153.00710	0.7
195.24144	0.7
216.98814	1.5
219.02081	1.0
225.52652	0.7
230.76677	0.6
232.96744	2.1
235.00011	3.2
240.98700	12.0
256.96692	2.3
257.96689	0.8
258.99814	93.8
260.00079	3.0
261.00281	1.3
261.03098	3.4
265.55765	0.8
274.97690	5.7
275.98062	1.3
277.00851	75.0
278.01080	2.2
282.01361	1.4
283.00018	18.4
284.00192	1.7
284.99869	1.3
292.98746	1.6
295.01880	0.8
298.97809	5.5
299.97879	0.9
300.02444	1.1
300.97754	1.0
301.01038	14.8
303.01132	0.9
314.96042	0.8
316.98856	6.2
317.98978	1.0
340.98944	1.5
356.97006	1.0
359.00101	6.7
360.00134	1.2
364.98926	1.4
382.99942	28.1
384.00253	1.1
398.98108	1.0
401.01053	80.1
402.01257	4.5
403.00858	1.1
416.99121	1.4
417.99081	0.9
419.02332	8.2
424.02548	2.5
425.01215	2.4
440.99161	1.2
441.99179	1.3
443.02289	3.5
444.02582	0.9
458.99695	0.8
460.00763	1.3
469.03333	0.8
507.00443	3.0
525.01306	39.8
526.01294	3.0
542.98499	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	524.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69294	4.5
52.95472	3.5
53.03944	4.4
55.01871	5.7
55.05500	6.5
55.86006	3.9
57.03425	10.6
57.94515	4.0
61.02916	6.4
67.05528	5.7
69.03430	22.0
69.07058	10.2
70.06580	12.9
71.04990	6.5
71.41638	5.9
72.08144	4.0
73.02919	22.8
79.05496	12.3
81.03410	11.3
81.07070	28.7
83.05005	5.8
83.08619	5.4
85.02901	30.1
85.06549	100.0
89.03569	3.8
90.34473	3.7
91.05484	8.2
93.07060	21.3
95.04948	4.4
95.08606	11.1
97.02904	24.6
97.06544	26.2
102.81839	4.0
105.07030	14.1
107.08576	22.6
109.06518	5.2
115.03925	9.6
119.08545	12.4
120.10313	4.8
121.10168	51.6
127.03906	15.3
132.08878	3.9
133.04936	6.7
133.10112	10.0
135.11699	4.6
137.09602	10.5
138.05531	5.6
138.09956	4.1
144.01108	4.2
145.04974	6.6
147.04387	9.7
147.11719	7.6
149.09563	5.7
149.13283	27.3
153.01846	70.1
154.02180	21.9
159.11722	9.3
165.07037	13.9
165.12769	13.1
166.13029	5.9
167.14302	11.0
171.02893	7.3
177.12744	31.4
195.13831	89.8
209.15369	24.3
210.15723	26.6
213.14864	62.9
217.60655	4.2
316.07611	5.0
524.21564	8.2
546.12225	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69294	4.5
52.95472	3.5
53.03944	4.4
55.01871	5.7
55.05500	6.5
55.86006	3.9
57.03425	10.6
57.94515	4.0
61.02916	6.4
67.05528	5.7
69.03430	22.0
69.07058	10.2
70.06580	12.9
71.04990	6.5
71.41638	5.9
72.08144	4.0
73.02919	22.8
79.05496	12.3
81.03410	11.3
81.07070	28.7
83.05005	5.8
83.08619	5.4
85.02901	30.1
85.06549	100.0
89.03569	3.8
90.34473	3.7
91.05484	8.2
93.07060	21.3
95.04948	4.4
95.08606	11.1
97.02904	24.6
97.06544	26.2
102.81839	4.0
105.07030	14.1
107.08576	22.6
109.06518	5.2
115.03925	9.6
119.08545	12.4
120.10313	4.8
121.10168	51.6
127.03906	15.3
132.08878	3.9
133.04936	6.7
133.10112	10.0
135.11699	4.6
137.09602	10.5
138.05531	5.6
138.09956	4.1
144.01108	4.2
145.04974	6.6
147.04387	9.7
147.11719	7.6
149.09563	5.7
149.13283	27.3
153.01846	70.1
154.02180	21.9
159.11722	9.3
165.07037	13.9
165.12769	13.1
166.13029	5.9
167.14302	11.0
171.02893	7.3
177.12744	31.4
195.13831	89.8
209.15369	24.3
210.15723	26.6
213.14864	62.9
217.60655	4.2
316.07611	5.0
524.21564	8.2
546.12225	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	523.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	14.5
57.03431	20.3
57.07082	57.0
67.05495	31.3
69.07059	15.3
71.08627	41.7
71.51871	9.4
79.05494	16.4
79.91738	6.8
81.03421	100.0
81.07066	48.3
83.04982	6.5
83.08615	28.6
85.10173	14.0
91.05464	17.4
93.07043	16.6
95.04974	23.3
95.08604	28.8
97.10162	9.4
105.07027	21.8
109.10171	17.2
111.08143	7.2
115.99657	6.7
119.08617	10.2
129.06961	10.3
133.10153	8.0
136.02263	7.6
147.11636	10.9
157.10104	13.3
171.96706	6.9
175.11191	8.7
180.95087	7.5
193.12257	43.2
211.13225	16.8
239.23763	7.1
255.90012	7.1
267.15887	76.4
313.27408	81.1
421.18250	7.4
505.39014	43.0
523.39557	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	6.2
55.05511	26.4
57.03437	23.4
57.07081	60.6
67.05509	43.6
69.03430	6.0
69.07075	28.5
70.08888	16.5
71.04999	8.4
71.08637	45.2
79.05508	23.1
81.03422	99.9
81.07064	48.3
83.04999	6.6
83.08624	40.7
85.02907	9.5
85.10191	25.5
91.05480	28.4
93.07057	17.9
95.04972	33.1
95.08617	38.6
97.06500	6.0
97.10204	18.1
100.59582	3.5
101.72375	3.5
105.07014	19.1
107.04957	5.0
107.08627	5.3
109.06507	5.8
109.10175	23.1
111.08089	11.3
111.11760	5.3
119.08589	19.1
120.19260	3.9
121.06530	4.3
121.10148	9.1
123.11713	8.5
129.07021	10.2
131.08591	11.8
133.06595	4.9
133.10179	9.2
147.11682	12.5
149.09552	4.2
157.10124	14.5
175.11234	16.2
179.07686	3.8
193.12267	56.8
204.05499	4.1
211.13322	25.5
226.66394	3.7
239.23735	14.6
249.14908	5.7
257.24847	4.2
267.15967	80.0
267.18707	3.4
290.43073	3.8
313.27377	100.0
505.38983	46.7
523.40094	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84396	0.7
55.05505	2.1
56.36480	0.7
57.97926	0.7
67.05493	1.1
69.03429	7.3
69.07064	1.4
70.06596	0.8
71.04982	1.2
71.09793	2.0
72.41821	0.7
79.05501	2.0
81.03408	2.2
81.07053	3.2
83.04960	1.2
83.08624	8.0
83.17275	0.8
85.02906	3.4
85.06497	0.9
86.87061	0.7
87.00848	1.0
91.05457	1.1
93.07052	4.6
95.04970	0.8
95.08606	6.2
97.02897	15.2
97.06547	1.6
99.04457	1.8
105.07030	2.5
107.08604	13.4
109.02885	2.9
109.06538	1.6
109.10140	1.8
111.08072	1.5
111.11726	0.8
119.08587	3.7
121.02895	1.5
121.10165	5.2
123.04462	0.6
123.08052	2.0
125.06024	1.9
125.09623	8.8
127.03934	2.0
133.10097	0.8
135.11731	4.3
137.06042	0.8
137.09598	2.3
139.11189	2.2
145.10150	2.1
147.08075	2.1
147.34642	0.7
153.01857	12.2
153.12753	3.2
159.11639	2.2
161.09666	0.7
163.11201	6.1
165.09126	8.4
177.12814	1.2
181.12245	21.9
183.60410	0.7
205.12257	4.1
223.13297	100.0
224.13600	1.3
241.14484	1.1
297.06030	1.1
524.19147	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05508	2.1
58.37151	0.7
60.04508	1.0
61.40015	0.7
67.05513	1.0
69.03427	7.9
69.07064	1.2
70.06595	2.2
71.04997	1.8
71.51977	1.3
72.08102	0.9
79.05497	1.9
81.03411	2.3
81.07059	3.4
83.04977	1.4
83.08617	6.8
84.04482	1.0
85.02914	4.1
85.06533	1.6
87.00811	0.8
91.05486	1.6
93.07056	4.8
94.06551	0.7
95.08611	4.7
97.02896	16.3
97.06528	1.7
99.04458	2.2
105.07043	3.6
107.04948	1.0
107.08598	14.3
109.02889	2.5
109.06519	1.9
109.10146	1.9
110.07161	0.9
111.04405	1.0
111.08071	1.8
117.07040	0.7
119.05070	0.8
119.08588	3.6
121.02876	1.3
121.10142	4.6
123.08064	3.2
125.06008	1.1
125.09644	11.3
127.03905	2.7
133.10092	0.9
135.08000	0.9
135.11726	5.0
136.49319	0.8
137.09622	2.9
139.11211	2.0
145.10146	3.2
147.04453	1.2
147.08034	2.4
149.72029	0.9
153.01830	11.5
153.12761	2.9
159.11710	1.6
163.11201	6.6
165.09109	8.1
167.07037	1.0
169.32318	0.7
169.68936	0.9
177.12689	1.2
181.12230	25.9
205.12251	5.4
223.13298	100.0
224.13712	1.5
241.14406	1.8
245.15707	0.9
276.13177	0.8
297.06079	0.9
312.19376	1.0
347.53726	0.9
362.16779	1.5
408.64618	0.9
471.18741	0.8
506.17688	1.3
524.17987	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	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40439	1.0
52.13245	1.0
53.03946	4.0
55.01874	2.4
55.05516	18.3
56.77292	1.0
57.03449	6.7
57.07081	45.0
62.44801	1.0
63.74854	0.9
64.80091	0.9
65.03936	1.5
65.48683	1.1
67.05512	27.3
67.27942	1.2
69.03421	2.4
69.07073	15.9
69.17295	2.6
69.17693	10.6
71.04994	4.6
71.08637	29.4
79.05497	17.5
81.03426	42.9
81.07064	37.9
83.04974	8.4
83.08624	30.9
85.02913	20.9
85.06532	2.6
85.10195	16.3
91.05486	19.9
93.07056	11.6
95.04975	16.1
95.08618	33.7
97.02889	1.6
97.06555	2.9
97.10189	8.5
98.20805	2.2
99.08138	1.2
105.07038	16.8
107.04940	3.5
107.08611	4.3
109.06520	3.1
109.10176	16.3
111.04456	2.5
111.08089	8.9
111.11739	1.6
113.06053	2.9
119.08589	13.6
121.10151	6.7
123.08121	1.2
123.11700	6.7
129.07019	6.8
131.08578	7.0
133.06538	1.8
133.10129	5.3
137.13312	3.1
142.07796	1.4
147.08144	1.6
147.11705	9.3
149.09671	3.4
149.13214	1.1
157.10141	9.7
165.12802	3.4
175.11194	12.3
182.09619	1.0
187.22275	1.1
193.10437	1.7
193.12263	50.2
211.13313	50.7
239.23750	7.5
249.15132	1.8
267.15866	5.4
313.27286	5.8
484.39871	1.3
523.39990	100.0
524.40619	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31381	1.2
53.03943	3.9
55.01844	1.4
55.05522	13.1
57.03444	8.1
57.07079	45.3
57.73208	1.5
59.04976	1.5
67.05177	2.0
67.05508	26.3
69.03425	3.5
69.07075	10.7
71.04980	3.6
71.08636	22.2
76.43417	1.2
79.05495	14.3
81.03421	41.6
81.06589	2.2
81.07064	32.6
83.04993	9.2
83.08619	27.7
85.02908	21.3
85.06564	2.0
85.10189	14.5
91.05486	18.0
93.07050	10.1
95.04979	15.1
95.08614	28.3
95.09182	2.8
97.02899	1.7
97.06506	3.2
97.10165	6.1
98.21610	2.7
99.08025	1.3
105.07034	13.3
107.04951	2.3
107.08579	4.5
109.06526	2.3
109.10143	10.4
111.08084	6.6
113.05996	1.3
119.08586	11.4
121.10155	4.9
123.08059	1.5
123.11718	6.2
129.07011	6.0
131.08594	6.2
133.06520	2.7
133.10139	5.5
137.09642	1.9
137.13292	2.1
147.11674	7.7
149.09621	3.0
157.10143	8.9
165.12823	2.5
175.11215	10.1
193.12259	45.2
196.53368	1.3
211.13304	42.1
229.40323	1.6
239.23781	7.5
243.64856	1.2
267.15964	4.5
267.64813	1.5
292.36026	1.3
313.27399	3.9
505.38873	3.5
523.39984	100.0
524.40277	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36193	6.7
50.52855	5.7
52.29810	6.0
55.05503	21.5
57.03435	24.8
57.07081	63.7
62.78933	5.9
63.24889	6.3
64.05899	7.9
64.71040	6.2
67.05510	35.6
69.07050	12.3
71.08635	36.9
71.75362	5.7
79.05491	25.7
81.02983	10.7
81.03418	100.0
81.07054	45.6
81.28090	6.0
83.08628	37.0
85.10172	17.0
90.63480	6.4
91.05489	23.6
93.07040	13.3
95.04969	26.8
95.08630	36.4
97.10146	13.1
98.21533	16.1
105.07013	19.8
107.04973	8.1
107.08537	7.8
109.10158	20.4
119.08574	28.2
121.10134	7.7
123.11729	11.4
129.07004	7.9
131.08575	8.0
147.11719	11.1
157.10129	8.6
157.59279	6.3
168.72702	5.7
175.11230	14.2
193.12267	70.7
211.13344	14.8
229.31126	5.8
239.23787	6.4
249.14822	8.6
267.15857	68.1
276.69928	5.9
313.27362	87.8
505.39035	47.0
523.40173	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	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.6
54.10490	0.9
55.01871	1.8
55.05273	1.7
55.05516	19.9
57.03442	7.6
57.07078	51.1
62.71763	0.9
65.03927	2.1
67.05506	32.1
69.03436	3.8
69.07071	13.0
69.16144	0.8
71.05000	4.2
71.08634	33.5
79.05051	0.7
79.05492	19.1
81.02928	2.1
81.03420	45.1
81.07058	44.1
83.04987	6.6
83.08620	30.4
85.02906	23.1
85.06544	2.0
85.10184	18.8
91.05486	23.6
93.07047	12.5
95.04971	18.1
95.08609	35.4
97.02879	1.7
97.06530	2.4
97.10175	8.5
99.11729	2.0
101.60814	0.9
105.04568	1.1
105.07036	17.1
107.04957	3.3
107.08594	5.7
109.06510	2.8
109.10153	16.0
111.04451	1.7
111.08071	7.9
111.11726	2.2
113.06002	2.5
115.05478	1.1
117.06985	1.4
119.08590	11.0
120.39108	0.8
121.06538	0.9
121.10155	8.6
123.08104	1.7
123.11691	8.3
125.09639	1.2
129.07019	6.7
131.08577	7.7
133.06509	2.3
133.10143	6.1
135.05785	0.9
137.09630	1.7
137.13266	1.9
142.07774	1.2
145.10150	2.2
147.08083	2.1
147.11697	10.3
149.09630	3.7
151.11148	0.9
157.10146	10.2
165.12759	1.9
175.11192	11.3
193.10472	1.6
193.12254	49.3
211.13295	52.0
221.22673	1.1
229.25136	1.2
239.23708	8.3
267.15955	7.7
285.16995	1.1
313.27350	8.0
391.06799	1.0
402.31601	1.0
505.38950	4.5
523.39966	100.0
524.40326	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	523.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70123	0.5
53.03943	2.6
53.76442	0.6
55.01863	2.2
55.05514	16.4
57.03448	6.5
57.07080	42.6
65.03932	1.3
67.05509	29.6
67.92816	0.6
69.03431	3.3
69.07069	12.9
69.17562	7.0
70.47747	0.6
71.05008	4.1
71.08636	31.7
79.05501	20.0
81.03424	42.2
81.07063	37.7
83.04998	7.5
83.08626	26.7
83.09124	1.2
85.02911	21.7
85.03432	1.1
85.06546	1.5
85.10191	17.6
89.51746	0.7
91.05488	20.6
93.07041	11.1
95.04977	16.6
95.08616	34.7
97.02881	1.7
97.06524	2.4
97.10184	7.4
98.20584	1.0
99.08098	0.7
99.11763	0.9
101.18314	0.6
105.04536	0.8
105.07041	16.2
107.04969	3.2
107.08612	4.8
107.36288	0.6
109.06535	3.0
109.10168	13.0
111.04478	1.6
111.08081	7.1
111.11749	1.7
113.06014	2.3
115.05476	1.2
117.07001	1.0
119.08589	11.8
121.06535	1.0
121.10159	6.5
123.08093	1.3
123.11715	7.2
125.13294	0.9
129.07025	7.4
131.08606	7.1
133.06541	1.5
133.10155	7.1
135.11693	0.8
135.18040	0.7
137.09659	1.2
137.13268	3.2
142.07817	2.1
145.10118	1.2
147.08078	1.4
147.11699	8.6
149.09663	4.1
151.14900	1.2
157.10132	8.5
165.12746	2.2
175.11191	13.0
193.12259	43.0
211.13303	48.0
221.22702	0.9
227.12825	0.7
239.23773	8.6
249.14835	0.7
267.15903	6.3
267.74640	0.6
285.17096	1.5
313.27380	5.9
384.69122	0.7
388.29568	0.7
505.38947	2.6
523.39984	100.0
524.40601	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	523.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92465	7.9
55.05506	19.6
55.67748	9.7
67.05498	41.6
69.03429	24.9
69.07070	54.1
70.06580	9.7
71.51766	16.8
73.91959	9.2
79.05481	31.6
81.03409	18.6
81.07052	77.5
83.04974	16.9
85.02879	20.9
85.06548	20.8
86.09724	11.3
91.05495	28.4
93.07026	49.6
95.04980	17.1
95.08607	59.1
97.02882	16.9
97.06554	10.9
99.04488	9.6
101.51690	9.0
105.07038	43.1
107.08604	61.7
109.02864	11.2
109.06501	22.4
109.10140	50.5
119.08572	35.9
121.02858	12.3
121.06552	10.4
121.10172	50.7
123.04413	14.7
123.11700	39.8
127.03930	11.4
131.08540	13.6
133.10089	21.6
135.00906	9.1
135.08046	11.4
135.11713	24.0
137.06013	13.1
139.11230	21.3
145.10222	10.9
147.08035	10.4
147.11665	20.5
149.13226	18.0
151.07637	9.6
153.01849	100.0
153.02989	19.4
157.06491	10.1
157.10059	10.3
161.09541	12.6
161.13292	12.8
163.11188	12.5
167.06976	10.8
175.14886	17.2
187.55678	10.2
189.09149	15.2
191.10602	10.8
191.14409	14.7
193.16055	10.1
268.14594	8.8
289.25269	17.5
307.26245	25.7
316.28378	10.7
325.27325	18.3
479.22247	15.9
523.21075	40.0
523.28992	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66615	12.9
50.72826	10.5
55.05509	32.5
59.62070	12.0
67.05495	36.1
69.03439	15.6
69.07059	42.3
70.75867	31.6
79.05473	29.7
80.29149	13.0
80.41078	11.4
81.07059	100.0
85.06561	13.3
91.05500	56.3
93.07032	36.8
95.08609	48.9
100.09076	11.3
105.07032	35.5
107.08597	36.8
109.10155	36.4
111.08009	12.9
117.07078	12.7
119.08595	17.7
121.10153	28.0
123.11749	30.5
133.10088	21.4
135.11674	19.3
145.10207	15.2
150.40604	11.3
153.01814	41.3
184.42480	12.0
189.09090	12.8
240.55128	12.0
249.37930	14.6
252.36453	11.5
272.60321	11.2
276.33475	12.3
280.61118	10.9
289.25031	18.8
307.26285	14.9
325.27353	14.1
350.95978	13.5
429.44955	12.8
523.21606	30.4
523.28491	67.3
546.71881	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	523.2177
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
55.05499	2.3
63.23422	2.2
63.74213	2.2
67.05514	5.5
69.03428	10.2
69.07050	3.4
69.19094	4.9
69.19489	21.6
70.06601	17.5
79.05487	8.8
81.03403	6.9
81.07049	11.2
85.02876	5.6
85.06540	8.1
86.09713	3.0
91.05481	7.1
93.07047	6.7
94.17193	2.3
95.08619	3.5
97.02909	6.7
105.07043	9.9
106.34769	2.6
107.08612	19.0
109.02866	6.0
109.06527	3.1
109.10200	5.9
119.08597	4.3
120.08096	4.6
121.06540	3.6
121.10150	12.9
122.07287	6.1
125.02358	3.5
127.03928	7.5
131.08551	2.7
133.09122	4.8
133.10135	93.0
134.04956	2.5
135.08076	8.7
137.09621	50.4
139.95262	2.4
143.03459	2.8
147.11775	3.8
147.13065	2.6
149.13274	10.2
153.01836	100.0
153.02878	4.1
171.02827	12.5
173.13313	5.3
191.14345	50.4
195.13815	8.9
209.15350	4.5
213.14865	2.9
229.15488	4.7
297.06085	6.1
315.07117	11.2
337.95755	2.8
367.01004	2.4
371.19897	3.3
400.61298	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	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.6
55.05508	16.0
57.07078	5.4
61.02928	5.6
66.69897	4.5
67.05509	42.1
69.03449	11.5
69.07080	35.0
69.72407	5.3
71.03095	9.1
71.04990	9.8
71.44170	4.2
73.02897	4.5
78.48705	4.1
79.01878	5.3
79.05503	24.9
81.03427	11.5
81.07063	90.5
82.07419	5.8
83.04993	12.8
83.08629	9.5
83.59565	4.6
84.49361	4.4
85.02918	28.0
85.06550	41.5
91.05479	17.7
93.07047	46.7
95.04953	11.2
95.08057	6.7
95.08616	71.3
97.02893	10.5
97.06517	6.2
99.08089	8.6
105.07021	35.5
107.08614	37.5
109.02924	8.8
109.06519	32.9
109.10167	52.8
111.08076	15.3
117.07033	8.2
119.08568	22.1
121.10147	38.4
123.04478	5.8
123.08051	8.7
123.11726	31.6
125.09616	8.9
127.03928	13.3
131.08568	13.9
133.10156	35.0
135.08069	22.3
135.11697	19.0
137.02458	5.5
137.06007	10.1
137.09601	8.9
137.13248	14.7
139.11191	10.2
145.05011	5.7
145.10138	14.3
147.11670	20.3
149.09637	8.7
149.13286	20.6
153.00864	4.0
153.01852	100.0
153.12807	5.7
155.10742	5.5
157.10130	5.4
159.11742	15.3
161.05850	5.6
161.13274	6.0
162.10017	6.0
163.11153	7.8
163.14828	11.4
171.03072	5.1
173.13219	12.9
175.14803	10.6
177.05400	5.8
177.16449	10.7
177.28149	4.5
183.11613	4.7
189.16447	8.6
191.14302	24.8
195.17340	4.8
209.15414	8.9
271.24271	11.7
277.25525	5.3
289.25302	18.7
295.26276	6.6
299.05457	16.3
307.26474	26.5
315.07150	5.1
325.27438	5.4
413.76038	5.2
479.22556	7.2
523.21136	15.0
523.28699	27.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2177
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
50.37453	2.1
55.05506	3.9
57.03419	2.3
67.05502	5.3
69.03429	9.0
69.07073	8.0
70.06600	2.6
70.08087	2.0
71.50529	3.7
79.01848	4.9
79.05492	6.2
81.03412	7.0
81.07069	17.9
83.04989	4.8
85.02900	6.6
85.06541	5.0
91.05476	6.0
93.07043	6.7
95.04984	2.8
95.08614	6.4
97.02881	7.9
97.06515	3.8
105.07030	9.8
107.08607	15.9
109.02898	5.2
109.06513	4.9
109.10170	11.9
111.08080	3.3
119.08575	3.5
121.06527	2.4
121.10149	9.8
123.11706	4.5
125.02367	2.3
125.09648	5.2
127.03924	6.0
127.11223	2.7
131.08589	2.7
133.10143	48.9
134.10469	2.3
135.08093	6.5
135.11729	5.0
137.09608	22.7
139.11134	3.6
143.03392	4.8
147.11697	5.7
149.13281	2.8
151.11310	2.3
153.01842	100.0
153.02954	5.4
153.12746	2.6
163.14784	3.7
165.12822	3.3
171.02916	6.5
171.13817	8.8
173.13243	6.0
191.14323	37.4
209.15327	4.6
289.25211	3.5
297.06067	4.9
299.43533	2.3
307.26126	2.3
315.07144	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	523.2179
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
53.03928	1.9
69.03414	3.5
69.13632	0.8
69.16467	3.5
69.16892	6.3
70.06598	1.5
76.67080	1.1
79.01842	3.9
79.05470	1.3
81.03420	8.4
81.07045	1.6
85.02892	3.1
85.06561	1.1
91.05471	3.8
93.07008	3.3
95.08605	1.3
96.51938	1.1
97.02875	4.2
97.06544	1.8
98.21615	1.8
99.04431	1.3
99.08064	1.0
105.07042	10.3
106.63769	0.9
107.01322	2.2
107.08575	3.3
109.02927	4.6
109.06497	6.1
109.10098	2.6
119.00816	1.2
119.08575	2.8
121.10184	2.6
123.08115	1.8
125.02345	3.8
127.03913	5.9
131.08575	11.5
133.10143	55.2
135.08060	3.3
137.05972	2.8
143.03371	4.7
143.08546	1.4
145.10117	3.9
147.11714	2.6
149.09593	3.4
149.13190	1.6
151.07483	1.2
153.01839	100.0
153.02919	5.7
153.09103	1.1
158.10863	2.9
161.06059	1.0
161.64438	1.0
163.11261	1.5
164.72601	0.9
171.02914	7.9
173.13266	22.9
191.12683	2.0
191.14314	25.0
201.51736	1.2
205.84634	1.0
207.10196	1.3
209.15369	1.9
297.06003	5.0
315.07114	5.1
331.14850	0.9
418.42072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	4.4
69.03413	8.8
70.06596	24.8
70.72762	5.6
70.73129	6.3
79.05486	3.9
81.03415	3.6
81.07051	8.8
85.02876	3.1
85.06541	5.5
90.52765	2.9
91.05473	5.1
93.07022	4.5
97.02880	7.6
100.69801	2.9
102.80534	2.6
105.07030	7.9
107.04932	3.4
107.08593	15.3
109.02904	5.1
109.10154	6.7
109.74635	3.1
110.48331	2.7
119.08572	4.1
120.08102	7.1
121.10135	10.3
127.03912	6.3
127.08686	3.9
133.10136	84.3
135.08025	7.3
137.09633	40.5
143.03401	3.8
149.13277	7.7
153.01837	100.0
155.08160	3.1
171.02924	11.0
173.13252	6.0
191.14308	39.1
195.13773	5.7
209.15312	4.3
221.12910	3.9
229.15492	7.9
286.17715	4.4
297.06076	3.8
315.07071	9.6
401.28036	2.8
454.46271	3.2
504.15048	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	523.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59925	0.5
55.01857	0.7
55.05508	0.9
57.03439	1.1
61.02935	0.6
67.05493	1.4
69.03418	1.6
69.07066	1.4
70.06577	0.6
71.01357	0.5
71.51196	0.9
73.02921	0.8
79.05493	1.1
81.03423	0.6
81.07054	1.7
84.08134	0.5
85.02900	2.1
85.06539	1.1
91.05503	0.9
93.07037	1.5
95.04948	1.0
95.08609	2.6
97.02910	1.4
97.06522	0.7
97.71995	0.5
103.05465	0.6
105.07026	1.4
107.08614	1.0
109.02831	0.8
109.06512	0.6
109.10166	1.6
117.72007	0.5
119.08592	1.6
121.10120	0.6
123.08131	0.5
123.11776	0.7
127.03760	1.5
131.08554	1.4
133.10139	3.3
135.11685	1.3
143.03392	0.7
145.10103	0.8
147.11665	0.7
149.13297	0.6
153.01828	8.2
153.02980	0.7
159.08031	0.6
165.09161	1.0
169.04730	1.1
171.02852	0.7
173.13260	2.1
175.14838	0.9
188.08577	0.5
191.14339	1.7
193.12230	1.0
197.12946	1.6
214.06352	0.5
216.57683	0.5
258.75925	0.5
269.10104	1.6
299.05646	1.2
301.08966	0.9
307.26160	0.5
314.13562	0.5
317.08511	1.4
333.07779	2.5
338.51370	0.5
401.14203	40.5
402.14651	0.8
523.17896	100.0
524.18085	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27126	0.4
52.48786	0.4
55.05521	1.8
56.05026	1.1
57.03436	0.7
57.07076	0.6
58.06600	1.5
60.08169	17.1
67.05509	1.8
69.07069	2.6
70.06596	0.4
70.22894	0.4
71.07377	7.2
71.08649	0.5
77.81548	0.4
79.05486	0.6
81.07052	1.7
83.08625	1.4
86.09709	48.3
87.10003	0.4
92.65137	0.4
93.07076	1.0
95.08592	1.6
97.10169	1.2
97.94106	0.4
98.20757	1.2
98.98471	4.1
104.10750	96.1
107.08572	0.4
109.10153	0.7
117.54676	0.5
121.10175	0.8
125.00011	29.3
129.36235	0.4
129.40393	0.4
163.01596	0.6
184.07349	100.0
185.07632	0.7
209.11880	0.4
213.16338	0.4
224.13739	0.4
258.10986	0.7
290.87686	0.4
339.28891	0.8
392.50623	0.4
445.27811	0.4
458.57745	0.4
504.34531	7.6
522.35553	24.0
523.35986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62094	7.9
52.81508	8.5
55.05507	24.4
57.03421	17.9
57.07068	14.6
61.02918	14.9
67.05524	43.0
69.03431	16.8
69.07060	51.5
70.06558	16.2
70.84528	18.2
71.04981	11.7
72.08132	13.2
73.66476	7.2
79.05479	36.1
81.03429	16.9
81.07059	84.6
83.08616	33.6
84.08167	12.3
85.02904	28.5
85.06528	9.7
91.03972	9.3
91.05475	28.1
91.71657	8.5
93.07045	81.6
95.04968	14.3
95.08599	62.4
97.02871	22.8
97.06504	11.7
97.10156	11.1
100.11237	29.5
105.07030	34.6
107.08591	34.9
107.96640	7.4
109.02824	8.2
109.06516	29.3
109.10154	42.7
110.06014	8.2
111.08128	13.7
119.08587	22.8
121.06582	12.8
121.10161	51.4
122.05999	10.6
123.11687	35.7
124.07627	9.5
127.03928	15.1
131.08533	17.0
133.10135	29.8
133.66064	7.6
135.08046	15.8
135.11703	23.8
137.13263	13.7
142.34329	8.8
145.04980	10.4
145.10135	11.8
147.08043	9.5
147.11681	19.4
149.13300	15.7
153.01863	53.4
158.57463	7.4
161.13324	8.0
168.17485	26.1
175.11194	100.0
181.12236	10.1
182.15381	8.7
184.07497	11.2
191.14316	19.7
204.04724	9.3
210.14784	8.6
271.24442	9.7
289.25211	26.0
295.26566	9.5
307.26114	38.6
312.17944	10.8
325.27451	16.4
461.17075	10.8
507.18405	33.7
522.20667	18.1
522.41083	86.2
523.28619	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	0.7
52.25961	0.6
53.03938	2.0
55.01862	2.6
55.05511	12.6
57.03428	1.5
57.07080	24.4
59.62176	0.6
65.03930	1.3
67.05509	22.6
69.03426	1.3
69.07073	9.2
71.04983	2.5
71.08636	16.3
73.02866	0.8
77.54602	0.6
78.78399	0.6
79.05496	21.6
79.67619	0.7
81.03416	2.1
81.07064	25.6
83.04970	2.7
83.08162	0.7
83.08625	12.0
85.10191	8.9
91.05475	7.2
93.07052	30.3
95.04985	5.0
95.08614	41.3
97.02883	2.6
97.06528	2.5
97.10165	3.1
99.04476	3.0
99.89531	0.7
103.05456	0.9
105.07030	5.8
107.04964	6.7
107.08598	19.0
109.06502	1.5
109.10159	8.9
111.04469	0.6
111.11727	1.0
115.27880	0.5
117.07013	7.0
119.08589	7.4
121.06528	4.6
121.10149	9.1
123.11687	2.6
125.06004	2.5
130.07777	1.4
133.10127	2.9
135.08092	1.8
135.11702	36.4
137.13297	0.9
139.07521	1.3
143.08517	0.8
145.10132	19.9
148.80310	0.7
163.11192	48.1
181.12233	12.6
191.10875	0.6
208.49377	0.6
209.11775	3.2
224.40727	0.7
227.12799	100.0
228.13148	1.0
239.23631	3.4
476.86646	1.0
521.38373	54.0
522.39056	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01607	0.3
51.02377	0.9
51.64812	0.3
53.03941	1.0
55.01891	0.4
57.03434	0.4
68.53415	0.4
69.03429	2.5
70.06599	0.4
71.50200	0.5
79.01858	4.3
81.03421	6.8
81.97462	0.4
85.02925	2.8
97.02901	5.6
99.00819	1.5
99.04451	0.6
106.05010	0.7
107.01347	2.0
109.02883	4.3
110.06033	3.5
120.04481	4.7
125.02352	3.4
127.03915	5.7
134.06033	1.0
135.57721	0.4
136.03781	0.4
138.05475	0.5
143.03384	4.5
145.04968	1.3
153.01842	100.0
153.02902	5.8
154.02211	0.9
162.05511	22.1
163.05920	0.4
165.79376	0.4
166.05009	7.6
171.02904	11.4
180.06590	1.3
190.05014	3.6
208.06067	28.1
209.06377	0.4
276.58005	0.4
276.61087	0.3
297.06046	8.7
315.07172	4.8
333.41226	0.4
542.04504	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.3
56.05036	0.5
56.53439	0.1
57.03427	0.2
57.07076	0.2
58.06625	0.4
59.07385	0.2
60.08168	6.5
67.05504	0.3
69.07069	0.4
69.97995	0.7
70.06578	0.1
71.07379	3.5
71.07762	0.3
76.88721	0.1
79.05493	0.2
79.58463	0.2
81.07063	0.4
83.08651	0.3
86.09711	32.6
87.10053	0.2
93.07050	0.3
95.08607	0.5
98.21323	0.2
98.98475	3.6
104.10754	2.8
109.10194	0.2
121.10177	0.1
125.00012	22.9
135.11653	0.2
138.44380	0.1
141.30774	0.1
166.02733	0.1
184.07350	100.0
185.07678	0.6
191.28236	0.1
258.10950	0.2
339.29086	0.2
504.34460	1.1
522.35498	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	521.384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90159	0.8
53.03946	2.5
55.01873	4.7
55.05515	15.1
57.03425	2.3
57.07080	29.2
63.57804	0.8
65.03936	1.0
67.05513	24.3
69.03437	1.4
69.06726	1.5
69.07069	14.6
69.16734	8.1
71.04990	1.9
71.08637	19.9
71.27995	0.7
73.02890	1.6
77.03920	1.3
79.05497	24.6
81.03430	5.4
81.07062	30.1
83.01357	1.2
83.05003	4.4
83.08626	16.9
85.02911	1.2
85.10189	9.9
85.35146	0.7
91.05490	9.5
93.07051	32.4
93.07642	1.8
93.83716	1.1
95.04961	5.6
95.08613	43.3
97.02886	3.4
97.06535	3.6
97.10181	4.9
98.20757	1.2
99.04443	3.1
100.66006	0.8
103.33562	0.8
105.07048	9.4
107.04962	10.1
107.08604	22.4
109.06500	1.6
109.10172	9.9
111.04437	1.3
111.08041	1.8
111.11691	1.9
115.05432	1.0
117.07021	7.5
119.08578	8.3
121.06507	4.3
121.10158	11.0
122.25253	0.7
123.08078	0.8
123.11707	3.0
125.05998	2.4
125.13293	1.2
130.07777	2.0
131.08553	2.0
133.10132	3.3
135.08066	2.0
135.11699	38.4
137.13272	2.4
139.07555	1.3
145.10133	22.2
145.11275	1.1
147.08054	0.9
149.61182	0.8
153.12753	2.6
163.11194	50.6
166.32780	0.9
173.09641	0.9
181.12218	11.7
191.10666	2.2
193.12300	1.5
209.11781	4.8
211.13191	1.0
227.12798	100.0
228.13232	1.3
239.23764	3.6
265.14288	1.5
311.25836	1.0
313.27429	1.7
420.78992	0.9
503.37061	1.5
521.38416	73.6
522.38745	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01870	8.0
55.05514	24.4
57.03444	3.2
57.07076	41.5
59.05014	2.0
62.56947	1.0
65.03944	2.4
67.05508	33.4
69.03430	1.5
69.07075	14.7
70.76359	2.0
70.76695	2.2
71.04993	4.0
71.08633	29.3
77.90240	1.0
79.05491	23.8
79.27431	1.0
81.03423	11.4
81.07058	37.6
83.01347	4.5
83.04974	10.6
83.08624	24.2
85.02916	4.9
85.06553	2.1
85.10187	15.5
86.68074	1.1
87.95216	1.2
91.05479	15.7
93.07045	25.1
95.04983	8.8
95.08607	36.6
97.02895	1.8
97.06535	4.8
97.10169	12.0
99.04469	1.8
99.11701	1.3
103.05468	1.0
105.07046	9.5
107.04960	9.7
107.08590	13.7
109.06519	4.3
109.10159	18.1
111.04451	3.1
111.08067	2.8
111.11745	3.4
117.07024	7.4
119.08581	10.3
121.06503	4.1
121.10158	9.6
123.08092	5.9
123.11728	4.6
125.05995	2.4
125.09660	1.2
129.07034	2.3
130.07796	1.2
131.08563	5.7
133.10149	4.4
135.08104	3.0
135.11702	17.5
137.13298	2.8
143.08635	1.4
145.10144	16.6
147.08070	3.1
147.11745	1.7
149.09686	1.3
151.14743	1.2
153.12785	1.6
155.08601	1.6
157.10187	1.8
163.11191	30.1
165.65788	1.2
173.09720	4.1
173.11661	1.1
181.12239	4.0
183.13243	1.1
191.10777	3.2
193.12199	2.4
209.11728	9.2
209.53311	1.1
211.13329	4.4
221.15601	1.3
227.12788	21.2
237.22290	2.1
239.23715	10.1
265.14304	1.7
293.21002	1.3
303.19662	1.7
382.48212	1.4
521.38452	100.0
522.38751	2.8
538.52759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.0
55.01865	6.3
55.05516	19.6
57.03443	3.6
57.07079	32.4
57.79704	1.0
59.04998	1.1
64.46839	1.0
65.03955	1.9
65.19545	0.9
66.70732	0.9
66.80573	1.0
67.05513	42.7
68.05856	1.8
69.03452	1.4
69.07075	15.2
70.68436	2.4
71.04996	2.0
71.08639	22.2
73.02926	1.3
73.42961	1.0
79.05502	28.8
81.03439	4.2
81.07063	39.0
83.05005	5.3
83.08617	17.5
85.02908	1.5
85.06583	2.3
85.10192	10.2
90.77760	1.0
91.05487	14.0
93.07048	38.1
95.04980	9.0
95.08615	48.2
97.02911	6.1
97.06557	4.2
97.10191	5.9
99.04496	2.5
99.08128	2.3
100.09064	1.0
103.05489	1.0
105.07034	11.4
107.04964	11.2
107.08604	26.3
109.06564	2.6
109.10163	21.9
109.10836	1.5
111.04478	2.9
111.08115	2.1
111.11745	1.5
117.07018	10.0
119.08591	11.0
121.06479	4.9
121.10141	11.4
123.11758	4.3
125.05973	2.3
125.09599	1.3
130.07832	1.7
131.08548	2.7
133.10178	5.6
134.66977	1.3
135.08115	2.2
135.11700	39.4
137.09679	1.7
137.13284	2.0
139.07622	1.5
145.10135	24.4
149.09628	1.8
151.11220	1.5
155.08633	1.0
159.11771	1.3
163.11191	52.3
173.09607	1.4
173.11806	2.1
181.12248	15.4
191.10751	2.9
198.11281	0.9
209.11729	8.9
227.12801	100.0
228.13206	1.9
229.14516	2.1
232.75092	1.0
239.23802	3.9
265.14429	1.4
275.20233	4.4
293.21103	12.1
313.27386	1.4
327.83447	1.2
342.36130	1.3
349.23782	1.5
423.27689	1.5
461.91019	1.0
503.37360	1.2
521.38666	66.7
522.39087	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53025	5.1
53.03939	8.1
55.01868	8.5
55.05495	15.2
62.91830	5.5
64.80807	5.3
67.05491	17.1
67.76489	4.6
69.03429	16.6
69.07055	19.6
70.06571	4.8
70.59229	16.8
71.04983	10.1
72.08157	5.5
73.40690	4.3
79.05476	17.8
81.03397	12.7
81.07060	34.3
83.04983	5.3
83.08630	8.5
84.04494	22.6
84.08163	7.0
85.02888	7.3
91.05463	23.4
93.07046	42.3
95.04971	18.0
95.08604	28.6
96.04495	22.8
97.02896	9.6
97.04824	7.2
97.06529	9.8
98.06069	14.0
105.07021	27.3
107.04922	4.7
107.08587	21.3
109.02896	12.1
109.06519	10.9
109.10144	24.3
111.07996	5.9
115.05454	7.0
119.08579	23.1
121.06522	4.9
121.10141	38.7
123.08096	6.1
123.11684	18.9
125.09666	5.5
126.05502	25.0
127.03948	9.8
127.05898	7.2
128.06213	4.5
131.08601	5.8
133.10144	27.0
135.08044	11.8
135.11691	18.8
137.05963	5.8
137.09612	6.5
138.05519	100.0
139.05853	40.3
144.06596	28.6
145.06873	13.4
145.10126	11.7
147.11668	7.5
149.09647	9.9
153.01860	57.4
157.10130	7.3
159.11555	5.4
161.09605	13.9
163.11227	12.3
168.06540	21.6
169.06902	11.0
181.12227	5.9
186.07626	21.4
187.07855	7.9
204.08618	27.6
204.27109	5.2
205.08943	15.5
261.03925	5.6
305.24826	10.1
317.06461	10.3
318.06860	17.8
323.25906	8.0
385.55981	5.9
521.27307	10.8
537.56213	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	521.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24426	11.1
69.03441	15.5
70.03613	58.7
85.02905	46.3
93.81716	12.4
97.02880	20.5
98.20807	12.2
119.01843	12.9
127.03941	32.6
145.03479	18.3
145.04968	17.8
147.04387	29.8
161.02989	18.3
173.02928	25.6
185.02960	16.6
188.66202	12.7
245.05013	33.7
301.11279	13.0
315.03262	18.8
467.38742	13.1
521.03271	100.0
521.11743	31.0
526.90918	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
55.01850	6.1
55.05515	15.4
57.07075	6.5
58.78458	5.7
63.23376	5.4
67.05500	25.9
69.03442	13.0
69.07070	52.6
70.63864	18.8
71.04988	26.3
71.33083	6.3
79.05505	38.3
81.03382	6.4
81.07065	89.5
83.04954	11.5
83.08620	18.9
85.02896	13.7
85.06536	12.7
87.08084	8.1
91.05473	28.2
93.07050	82.2
95.04962	11.4
95.08608	57.2
97.02901	11.9
97.06558	7.3
97.10150	10.0
99.04449	8.7
105.07043	56.2
107.04949	7.7
107.08611	48.4
109.06510	6.4
109.10167	41.3
111.08060	10.2
115.42654	6.5
119.08590	24.7
121.10145	100.0
123.08049	6.2
123.11740	50.6
125.06004	6.5
127.03887	8.3
130.07808	7.6
131.08531	12.0
133.10130	43.1
135.11697	52.3
137.06029	7.6
137.09605	11.8
139.11258	9.4
141.12788	8.1
145.10127	17.2
147.11699	24.4
149.13278	15.9
151.03955	6.9
151.11137	8.3
153.01855	41.9
153.12746	12.6
159.11684	10.9
161.09599	18.9
161.13147	7.1
163.11191	21.8
163.14696	7.2
165.12738	6.9
167.10545	6.3
179.10667	6.3
181.12262	23.3
228.04913	10.8
228.85039	6.6
283.12354	6.2
287.23697	19.0
293.24857	11.9
305.24786	39.4
323.25955	33.2
521.19873	10.4
521.26868	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	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.9
55.05511	24.3
57.07085	5.8
67.05505	17.6
69.03429	9.9
69.07063	10.4
69.98312	8.2
69.98710	4.6
71.04983	6.1
73.06542	3.7
78.51685	2.9
79.05507	20.1
81.03420	6.0
81.07061	28.8
83.05004	4.2
83.08610	5.3
85.02903	21.9
87.00828	12.1
91.05490	21.6
93.07056	47.0
95.05025	3.6
95.08614	40.6
97.02902	10.5
97.06552	6.1
97.10177	4.7
99.04472	3.7
99.08068	6.6
105.01881	11.6
105.07036	54.0
107.08611	49.7
109.02914	5.9
109.06528	4.4
109.10170	19.1
111.08058	6.8
117.07017	5.3
119.08591	34.9
121.06515	5.2
121.10154	100.0
123.08061	8.0
123.11691	6.8
125.09628	11.5
127.03923	11.1
130.07819	4.0
131.08588	16.9
133.10135	33.5
135.08060	4.0
135.11696	27.8
137.09616	3.4
143.10661	11.9
145.04951	4.8
145.10127	48.5
147.11719	22.7
149.13268	5.8
151.11249	5.4
157.10194	4.2
159.11703	30.0
161.13283	13.7
163.11238	17.2
163.12431	3.4
163.14795	3.4
173.13248	8.6
175.14882	8.0
177.12772	10.7
177.16347	3.9
191.17963	10.9
201.16409	46.8
201.18237	4.2
219.17470	34.2
237.18521	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	520.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.1
53.11854	4.4
55.05517	25.8
57.07078	6.5
63.91437	3.8
65.03925	4.7
67.05520	31.7
69.03429	22.0
69.07064	17.3
69.52048	28.6
71.04994	15.0
73.02888	4.3
79.05479	27.7
81.03412	14.1
81.07062	100.0
83.04997	5.0
83.08619	10.9
85.02917	33.0
85.06542	10.8
87.00850	11.2
91.05481	26.4
93.07047	73.8
95.04978	13.8
95.08598	47.9
95.60828	4.2
97.02906	14.8
97.06532	6.7
97.10181	3.8
97.56604	4.0
99.04426	7.3
105.01871	10.5
105.07029	67.5
107.04930	5.9
107.08609	66.3
109.02902	15.6
109.06506	10.4
109.10164	40.4
111.08085	9.3
113.09643	3.8
117.03364	4.5
117.06979	7.6
119.08592	39.8
120.08138	4.4
121.10158	62.4
123.07991	8.3
123.11729	19.9
125.09625	8.9
127.03931	18.6
127.11217	12.8
131.08551	17.7
133.10150	38.9
135.11705	17.2
137.09625	7.6
143.10678	8.6
145.02838	10.5
145.10126	45.4
147.11684	20.3
149.09573	4.4
149.13356	9.3
151.11211	34.8
153.01816	11.3
159.02824	5.8
159.11713	44.1
161.09648	6.2
161.13234	20.6
163.11200	15.5
167.14328	6.6
169.22739	4.2
173.13242	9.9
175.14734	4.9
177.05478	34.0
177.09180	4.0
177.12772	4.8
177.16478	4.4
191.17967	11.1
201.16396	47.4
211.50352	3.6
215.17909	3.7
219.17476	38.2
237.18495	14.2
281.15009	4.1
310.94995	3.6
317.06232	4.8
351.14145	4.0
366.26343	6.8
522.34827	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	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58491	0.2
55.05512	1.2
56.05038	1.2
57.03419	0.3
58.06583	1.6
60.08166	17.6
61.21756	0.2
65.03947	0.3
67.05505	4.2
68.05828	0.2
69.07069	1.3
70.06599	0.4
70.90892	0.5
71.07375	7.1
79.05489	1.3
81.07056	3.5
83.08624	0.6
83.12373	0.2
86.09707	50.8
87.10005	0.2
89.88504	0.2
91.05477	0.9
93.07027	1.1
95.08611	2.1
97.06501	0.2
97.10173	0.3
98.98471	4.8
104.10746	90.9
104.26235	0.2
105.07019	0.4
107.08610	0.6
108.08974	0.3
109.10152	1.3
110.10485	0.3
114.58809	0.2
119.08564	0.3
120.02440	0.2
120.16858	0.2
121.10167	0.5
125.00007	32.3
133.10110	0.4
163.01605	0.5
184.07343	100.0
185.07668	0.5
258.11038	1.0
273.18353	0.2
292.20023	0.6
337.27505	1.1
404.86337	0.2
443.25641	0.4
502.32895	6.2
503.32904	0.3
520.33997	20.7
521.34552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.3
55.14278	0.1
56.05039	0.6
57.03443	0.2
58.06639	0.5
59.07407	0.2
60.08168	6.8
60.49557	0.1
67.05513	0.9
68.59662	0.1
69.07064	0.3
69.85589	0.4
70.06606	0.2
70.69624	0.1
71.06981	0.2
71.07378	3.4
79.05505	0.3
81.07069	0.7
82.62609	0.1
83.08617	0.1
86.09710	31.6
91.05497	0.2
93.07065	0.3
95.08633	0.5
98.98473	3.9
99.97751	0.1
102.39713	0.1
104.10748	3.0
105.07022	0.2
107.08564	0.2
109.10175	0.4
117.00536	0.1
125.00012	22.9
126.00346	0.1
128.94727	0.1
131.08527	0.1
133.10081	0.1
137.46342	0.1
184.07349	100.0
185.07712	0.6
258.10965	0.2
337.27499	0.2
349.75317	0.1
502.32983	1.0
520.34021	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	520.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.7
57.03434	5.5
57.07068	1.7
59.04988	2.0
65.03935	1.4
66.22841	1.3
67.05495	4.6
69.03436	20.4
69.07062	2.8
71.04985	4.4
75.92130	1.5
76.02200	1.9
79.05476	4.3
81.03436	1.8
81.07057	5.1
84.04527	1.6
85.02907	18.8
85.06522	2.4
87.04471	13.0
91.05470	5.3
91.39343	1.6
93.07060	5.5
95.04974	5.0
95.08606	6.3
97.02893	20.7
97.06532	5.9
97.15119	1.5
98.21519	3.6
99.04480	2.5
99.08057	1.8
105.07039	11.7
107.08608	6.0
109.06522	67.0
109.10175	16.6
111.08071	2.5
112.74173	1.3
112.93611	1.5
115.03943	16.5
117.07062	1.8
118.72295	1.4
119.08577	5.2
121.10123	5.2
123.08084	7.7
127.03938	2.3
131.08569	21.2
133.04996	13.2
133.09142	2.8
133.10144	53.5
135.08055	25.2
143.08530	2.3
145.10123	3.5
147.11736	3.3
149.09618	3.9
149.13226	2.9
150.07669	2.2
153.01784	2.2
153.09099	3.6
158.10925	3.3
173.13280	44.0
175.14845	1.5
191.14320	100.0
209.15378	59.5
209.17387	3.1
248.65454	1.6
258.27713	1.3
259.10941	2.0
300.06549	1.1
373.17929	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	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28794	2.9
53.03939	4.2
55.01896	3.6
55.05508	8.3
57.03428	4.8
57.07080	5.0
61.02929	4.1
67.05502	10.3
69.03432	21.1
69.07051	7.3
71.04988	12.8
71.51709	3.6
71.63830	2.7
72.08147	3.9
73.02927	3.3
79.05491	11.7
81.03407	5.5
81.07050	24.9
83.04967	5.0
83.08633	2.8
85.02902	27.0
87.04455	6.7
88.65578	3.1
91.05441	13.6
93.07040	21.8
95.04962	5.6
95.08624	15.9
96.91920	3.2
97.02888	18.3
97.06511	6.9
98.16634	2.8
105.07026	19.7
107.08613	17.8
109.06525	100.0
109.07273	4.9
109.10145	26.6
111.08119	3.1
115.03927	11.3
117.07016	4.6
117.77507	2.8
119.08575	8.3
120.04409	3.2
121.10165	20.7
123.08063	10.1
123.11702	5.5
127.03936	5.2
131.08565	16.1
133.04924	9.0
133.10133	15.3
135.08075	38.9
135.11687	5.4
145.04927	3.6
145.10095	12.1
147.11708	5.9
149.09566	4.8
149.13278	5.3
153.01833	11.8
153.09120	3.4
159.11690	4.8
161.13245	5.4
163.11220	4.1
164.94452	3.0
173.13342	14.4
191.08527	10.3
191.14308	61.1
201.16385	10.4
209.01396	3.1
209.15384	84.5
219.17455	9.0
237.18472	5.1
288.05832	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	520.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75617	1.0
55.05516	1.9
55.48246	1.1
57.03437	5.1
57.07081	1.2
59.05014	1.3
64.76389	1.1
65.03961	1.1
67.05503	3.7
69.03438	16.1
69.07066	2.7
70.06595	1.5
71.04995	3.8
76.02244	1.6
79.05508	3.6
81.03429	1.9
81.07042	5.7
83.08638	1.1
84.04506	1.3
84.08140	1.6
85.02920	13.5
85.06534	1.2
86.09726	1.5
87.04481	10.5
91.05486	6.8
93.07048	6.3
95.04968	4.5
95.08604	4.3
97.02901	15.7
97.06546	3.2
105.07042	11.2
107.08611	7.2
109.06528	62.7
109.10176	16.2
111.08086	1.3
115.03935	12.1
117.07018	1.2
119.08588	4.7
121.10170	3.1
123.08124	6.1
127.03934	3.1
131.07739	1.5
131.08598	14.0
133.04980	13.2
133.10146	40.5
135.08072	23.3
145.05017	1.2
145.10136	4.6
147.11707	3.9
149.09622	2.1
149.13261	2.0
150.07628	2.7
153.09120	2.4
158.10924	2.7
173.13281	33.5
175.14822	1.5
191.14325	100.0
192.14607	1.8
209.15385	56.4
373.17764	3.4
470.52985	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.5
51.54861	0.4
53.03962	0.6
62.33232	0.4
69.03442	1.5
69.44331	2.5
79.01867	2.6
81.03427	5.0
85.02896	1.8
97.02921	2.3
99.04453	0.4
107.01328	0.9
109.02888	2.7
125.02395	1.6
127.03940	2.2
132.04462	8.3
143.03410	3.5
145.04994	0.5
153.01842	61.0
153.02887	3.3
154.02272	0.4
160.03990	1.2
171.02879	3.4
172.03104	0.4
178.05003	69.7
179.05383	0.9
206.04498	100.0
207.04880	1.8
234.25690	0.4
283.03052	0.5
297.06079	5.1
315.07123	1.6
368.09653	0.9
453.16968	0.4
520.10620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.0
55.01862	3.6
55.05517	24.3
55.07758	1.0
57.03431	1.4
57.07080	46.9
65.03935	3.8
67.05508	59.9
69.07070	22.2
69.59013	5.9
71.04992	2.8
71.08637	30.8
73.06560	2.0
77.03907	1.6
79.05499	65.1
81.03420	8.4
81.07063	56.6
83.04990	13.2
83.08162	1.9
83.08627	26.0
85.06527	1.5
85.10188	16.5
91.05487	48.3
93.07051	54.3
95.04976	14.6
95.08614	51.8
97.06546	5.3
97.10173	13.0
99.08130	1.0
99.11719	1.0
103.05444	1.4
105.04491	2.5
105.07037	37.0
107.04985	5.6
107.08599	16.6
109.06490	5.3
109.10166	17.0
111.08109	1.3
111.11706	2.4
115.05423	1.4
117.07033	10.5
119.08586	22.1
120.31136	0.9
121.06494	3.8
121.10161	6.8
123.08092	4.6
123.11701	6.4
128.06241	2.3
129.07018	13.4
131.08560	3.0
133.10133	9.4
135.11702	7.8
137.13240	2.5
139.07632	1.1
141.09056	1.1
143.08556	6.3
145.10126	11.3
147.08026	2.3
147.11697	31.9
151.14861	1.0
153.12706	1.0
159.11636	2.4
161.09651	5.2
161.13254	11.6
163.11185	8.3
165.16342	1.1
171.10268	1.7
171.11703	26.0
179.14359	1.8
181.12259	2.0
189.12741	11.6
199.14769	0.8
207.13815	31.3
209.11670	1.0
218.68465	0.9
221.22772	1.2
225.14909	4.1
227.12785	11.2
235.01889	1.0
237.22125	1.5
239.23625	8.3
281.17450	1.9
313.27203	1.0
335.92206	1.0
372.70465	0.9
400.51660	1.0
421.14362	0.9
519.40765	100.0
520.40674	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58548	1.0
53.03932	2.2
55.01881	5.1
55.02108	1.3
55.05516	25.8
57.03418	4.0
57.07071	2.3
57.11256	1.1
59.04982	3.8
65.03917	4.7
66.42064	1.2
67.05510	100.0
69.03424	9.3
69.07075	25.6
69.36678	3.8
69.37104	5.1
71.04982	4.8
79.05085	1.6
79.05504	23.2
81.03404	4.9
81.06595	1.8
81.07063	36.5
82.34506	1.0
83.04974	4.5
83.08630	12.2
85.06547	3.0
91.05482	23.2
93.07052	18.1
95.01363	1.2
95.04990	7.2
95.08617	17.2
97.02905	7.2
97.06513	3.2
97.10181	9.6
105.07043	14.1
107.04941	4.8
107.08600	14.2
109.06495	3.2
109.10165	62.0
111.08089	3.7
115.05437	1.5
117.07018	7.0
119.08608	14.8
121.06493	3.1
121.10182	7.3
121.10892	1.0
123.08059	3.6
125.09652	8.3
129.06982	1.9
131.08585	7.2
133.06465	1.4
133.10123	7.2
134.07205	1.2
135.08018	3.2
135.11690	3.6
137.09578	5.5
141.25351	1.0
143.08565	3.1
145.06328	1.2
145.10139	6.8
147.08052	5.2
147.11656	4.8
149.09631	2.1
149.13254	3.0
151.11201	3.2
155.10690	5.2
157.10168	2.3
159.08116	1.1
159.11668	4.1
161.09627	2.4
161.13229	1.9
163.11082	1.4
163.14748	1.3
171.10193	1.3
171.11649	2.7
173.11772	14.7
173.13226	2.2
175.11255	2.3
177.12697	1.4
179.14325	1.3
185.13174	1.6
187.11232	1.5
189.11180	4.6
193.12189	2.6
195.13757	1.9
205.12225	2.5
223.13304	15.8
227.12793	4.3
229.14366	3.2
245.19003	1.5
257.19025	1.4
273.18549	16.7
275.20016	5.4
291.19571	89.8
292.19626	1.5
318.73538	1.2
340.32510	1.2
347.22153	1.7
353.95825	1.2
501.31232	1.8
519.33063	60.3
520.33368	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	519.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22416	0.5
53.03955	0.7
55.01867	0.5
55.05502	1.9
57.03396	0.4
62.76999	0.4
65.03933	1.3
67.05507	3.9
69.03425	2.0
69.07068	1.8
70.06598	1.4
71.05004	0.8
71.38949	0.4
71.51933	0.6
79.05490	1.6
81.03422	4.3
81.07072	3.5
83.04992	1.6
83.08604	0.8
84.08160	0.6
85.02896	1.8
91.05473	10.3
92.70732	0.5
93.07042	2.3
95.04981	2.5
95.08601	3.3
97.02888	0.9
99.04422	0.5
105.07031	2.4
107.04952	0.9
107.08596	3.2
107.80783	0.5
109.02888	1.2
109.06522	1.5
109.09465	0.7
109.10167	8.1
111.08097	1.1
111.42995	0.4
112.86336	0.4
112.98612	0.4
113.54028	0.5
114.51234	0.6
117.07045	0.8
119.04949	19.8
119.05798	1.0
119.08566	4.1
121.10147	1.8
123.04441	1.8
123.08105	1.1
123.11735	0.6
127.03918	0.7
128.00447	0.5
129.07001	0.6
131.08594	0.5
133.06525	0.6
133.10167	2.8
135.08022	0.5
135.11713	8.0
137.06029	0.7
137.09631	1.1
139.11252	0.5
147.04416	100.0
147.11682	1.0
148.04720	0.5
149.09544	0.5
149.13295	0.9
151.11224	0.9
153.01878	0.9
156.30756	0.5
157.10182	0.5
165.05513	4.0
167.05519	0.7
175.14824	2.6
176.14384	0.9
179.08769	0.5
189.16393	0.5
193.15904	4.7
211.16945	3.5
235.13397	1.3
267.15918	1.1
291.08575	3.1
293.20450	0.5
299.06271	1.0
309.09683	3.5
309.17078	0.7
365.83035	0.5
404.14825	0.5
434.27475	0.5
476.12204	0.5
501.28397	1.1
519.28015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.2
56.05037	0.6
58.06636	0.4
59.07392	0.1
60.08167	6.4
67.05505	0.8
70.06612	0.1
70.46099	0.3
71.07375	3.5
79.05513	0.4
81.07067	0.4
83.08689	0.1
86.09711	33.1
87.10031	0.1
91.05515	0.1
93.07050	0.5
95.08622	0.3
98.98465	3.4
104.10749	2.9
105.07088	0.1
107.08665	0.2
108.83363	0.1
109.10148	0.1
125.00011	23.7
143.01044	0.1
184.07349	100.0
185.07712	0.6
258.11002	0.2
275.66284	0.1
471.39136	0.1
500.31393	0.9
518.32477	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
56.05038	1.5
57.03439	0.3
58.06357	0.3
58.06581	1.2
59.07386	0.5
60.08169	18.0
67.05514	2.8
69.07073	0.9
71.07378	7.0
76.89243	0.2
79.05495	1.9
81.07056	2.5
83.08623	0.4
86.09713	49.8
87.10051	0.3
91.05508	1.3
92.96362	0.2
93.07052	2.4
95.08599	1.2
98.98473	4.9
104.10752	96.8
105.07056	0.6
105.11063	0.6
107.08602	0.9
109.10182	0.8
119.08595	0.4
121.10149	0.5
125.00014	28.8
126.44209	0.2
131.08646	0.4
136.92336	0.2
163.01566	0.5
181.02650	0.4
184.07355	100.0
185.07701	0.4
258.10992	1.2
335.25769	0.8
486.47635	0.2
500.31384	7.6
509.02634	0.2
518.32446	19.8
519.32715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.2
55.01875	7.3
55.05509	19.1
57.07084	7.4
59.05012	5.3
67.05508	31.3
69.03433	27.7
69.07069	19.1
70.06602	71.4
71.04997	36.4
71.50971	9.0
72.08141	7.5
72.10712	5.2
74.06092	8.1
79.05502	31.1
81.03429	18.6
81.07061	54.1
83.04987	17.4
83.08625	13.2
84.08143	32.3
85.02906	35.6
85.06552	9.9
91.05489	38.4
93.07050	50.1
95.04980	25.1
95.08617	34.2
97.02892	20.6
97.06544	17.0
97.10189	7.4
98.97564	6.6
99.04453	13.3
99.08110	9.5
105.07042	71.4
107.04988	6.4
107.08616	50.7
109.02907	8.6
109.06531	11.2
109.10178	27.7
110.66409	4.7
111.08103	7.1
117.07020	16.4
119.08584	60.6
120.08076	5.7
121.10165	24.6
123.11682	8.5
125.09628	30.2
127.03944	10.6
127.07545	11.3
127.11186	9.6
128.06218	9.7
129.07095	6.9
129.09149	6.4
129.10231	15.6
130.07796	7.7
131.08594	20.5
133.10139	36.6
135.11702	11.4
136.07570	7.3
137.06033	5.4
137.09624	9.5
139.11192	9.0
140.00153	4.9
141.07002	5.6
142.07800	18.4
143.08569	21.4
143.10690	100.0
144.09215	6.3
145.05046	9.1
145.10124	94.2
147.04379	5.3
147.11688	45.3
149.09610	11.0
151.11195	11.7
155.10663	5.9
157.10135	35.3
159.02850	6.5
159.11746	20.1
161.09648	22.5
163.11159	12.2
169.10115	8.1
169.12248	19.7
171.11687	14.8
173.13280	13.1
174.06960	5.2
175.14923	8.9
179.10635	6.4
187.14853	9.6
197.13162	10.4
199.14830	42.8
211.14969	7.0
217.15878	14.5
235.16917	13.2
285.22110	20.9
287.05728	6.1
303.23212	16.4
339.14413	17.9
512.14606	5.2
518.30743	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98373	0.4
53.03955	2.2
53.41636	0.4
55.01879	7.3
55.05507	0.6
56.05042	0.6
57.03440	11.7
57.07087	0.7
59.04994	1.2
60.05655	0.5
60.08183	1.0
61.02930	8.1
67.05503	1.1
69.03436	18.0
70.06597	1.9
70.64212	1.5
71.01360	2.8
71.04998	1.5
72.04534	0.9
73.02927	15.9
79.05501	20.5
81.03426	3.6
81.07081	1.4
83.04992	1.2
84.08168	1.2
85.02912	62.5
85.06550	31.3
85.34902	0.5
87.04475	3.2
91.03952	4.0
91.05492	1.1
93.07053	1.7
95.04983	2.7
95.08609	1.0
97.02901	25.5
97.06513	1.1
99.04478	3.6
101.02420	0.5
103.03947	1.8
105.03400	29.5
105.07034	1.8
109.02877	4.5
109.06521	1.0
109.10197	0.8
111.04469	0.8
111.08050	0.4
115.03938	12.5
119.08575	0.8
121.06500	0.9
123.04439	100.0
123.08044	1.2
124.04749	0.7
127.03929	18.2
129.10245	0.6
132.06566	1.0
133.04977	17.4
133.06493	0.7
133.10164	0.9
135.08066	0.7
137.06027	0.5
137.09709	0.5
139.07607	0.7
145.04971	42.4
147.08041	0.5
150.07628	3.1
151.07524	0.6
153.09106	0.7
161.09583	0.5
163.06035	17.4
163.07402	0.9
163.11179	0.5
181.08629	1.0
189.09117	11.0
190.09196	0.4
199.09586	2.0
207.10161	0.8
211.09628	1.2
223.05969	0.6
229.10739	3.8
241.07097	1.7
247.11752	0.6
259.08090	1.9
267.08783	0.5
285.09738	4.5
507.90814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01875	8.2
57.07085	6.0
59.05005	1.5
64.94024	1.5
67.05502	6.5
69.03439	7.6
69.07074	8.2
69.87673	6.6
70.02952	7.5
70.06590	2.9
71.04976	1.9
72.04527	22.4
72.06231	1.1
72.08163	2.2
73.02923	13.6
73.09966	1.2
74.02441	1.8
74.06101	1.5
81.03425	19.7
81.07072	1.2
83.04987	7.8
84.08119	2.0
85.02915	6.9
85.06552	8.9
86.09710	13.8
87.08110	2.5
90.05048	2.2
90.05562	27.2
95.04983	10.4
96.08116	3.3
97.02898	13.1
98.02419	20.3
99.04456	7.0
99.05036	1.2
100.04001	7.7
102.05474	1.4
102.39751	1.3
103.03958	1.4
103.07545	3.4
104.55410	1.1
109.02889	22.8
112.07628	3.0
113.06068	7.0
116.02776	1.5
116.03480	15.8
121.59872	1.2
124.07605	25.1
127.03928	11.2
128.07097	2.0
129.10193	3.0
131.07053	1.3
132.06583	10.7
132.10265	1.8
138.05472	2.6
142.08641	16.7
145.04970	7.1
147.74249	1.2
153.01820	4.8
156.10208	2.1
160.09749	6.1
166.08591	6.1
171.02953	1.4
172.09639	6.1
174.11259	7.2
181.04848	2.1
184.09714	35.0
186.05814	3.1
198.07610	4.4
199.05998	5.3
202.10768	100.0
203.11404	3.6
211.09662	11.0
216.08670	4.4
217.07076	2.8
220.11841	16.9
230.10284	11.3
234.09703	8.4
241.35301	1.1
244.11897	3.4
249.10803	2.6
262.12897	18.7
310.12860	8.4
328.13931	42.8
346.15082	8.0
364.15952	8.1
388.12143	1.3
440.56332	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68851	0.3
55.93529	0.7
65.03939	0.4
69.03429	0.4
69.07060	0.3
71.27717	0.6
72.04521	0.3
79.29645	0.3
81.03413	0.6
85.02903	1.2
86.09740	0.6
91.04977	0.5
91.05489	6.0
97.06551	0.6
108.08112	0.4
112.83136	0.3
119.04952	15.9
127.03915	0.4
133.96100	0.3
147.04417	100.0
148.04742	0.8
153.01836	0.7
156.70874	0.3
157.61531	0.3
184.31776	0.3
202.10770	0.6
257.94257	0.3
339.10962	0.8
340.16803	0.4
489.52429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.44298	1.1
53.03936	2.3
55.01856	1.1
55.05513	15.3
57.03442	5.7
57.07082	2.3
62.88912	1.1
65.03931	1.4
67.05508	35.0
69.07073	12.2
71.05008	2.0
79.05495	24.1
81.03399	1.2
81.07059	36.6
83.04960	1.6
83.08619	7.0
85.06558	2.4
91.05483	21.2
93.07050	33.1
95.04974	2.0
95.08612	28.3
97.06540	3.1
97.10165	4.5
99.08077	1.4
105.04530	1.4
105.07030	24.7
107.08601	23.4
109.10160	14.0
111.08108	1.4
115.05524	1.4
117.07029	9.5
119.08575	23.5
119.09370	1.7
121.10142	18.4
123.11718	4.8
125.09681	1.2
129.07036	3.1
131.08580	18.7
133.10141	19.3
135.11705	11.6
137.09616	1.6
141.07021	1.5
143.08568	5.8
145.10133	15.9
147.11696	12.7
149.09698	1.4
149.13229	6.2
151.19405	1.0
153.09140	1.0
155.08572	2.6
155.22565	1.1
157.10130	6.0
159.11687	11.8
159.31537	1.0
161.13257	8.6
163.11224	1.1
163.14813	3.4
169.10152	3.2
171.11659	7.3
173.13269	8.0
175.14877	4.8
177.16405	1.3
183.11722	4.1
185.13235	5.6
187.14888	4.8
189.12740	1.0
189.16408	1.6
197.13319	2.9
199.14850	4.5
201.16365	2.9
211.14859	1.3
213.16539	1.8
219.17564	1.3
221.15543	1.2
227.18185	2.0
233.18996	1.3
241.17871	2.5
245.19110	1.3
259.20694	3.1
273.22192	2.5
285.22498	1.7
287.23688	1.6
299.23541	2.1
301.25217	1.1
313.25266	1.5
317.24655	1.7
331.26263	1.0
333.24503	2.0
347.25864	1.5
361.27719	1.1
384.30270	1.2
391.28641	2.3
405.30884	1.1
407.33057	5.8
425.34253	15.9
443.35257	6.4
481.37183	1.6
499.37915	18.2
517.38959	100.0
518.39417	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	515.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01870	2.6
55.05514	18.1
55.95446	0.9
57.03440	5.9
57.07045	1.3
65.03939	2.8
67.05508	45.4
69.07070	15.8
70.95586	1.9
71.01369	2.2
71.04990	4.2
79.05498	49.1
81.03412	3.1
81.07059	40.7
83.04988	6.2
83.08614	6.2
85.06541	3.3
91.05488	27.4
93.07049	51.6
95.04970	4.5
95.08611	28.0
97.06548	7.5
97.10178	6.7
105.07040	22.6
105.07666	0.8
107.08601	28.1
108.88159	1.0
109.10166	11.6
111.08116	2.2
117.07031	12.3
119.08591	17.8
121.06484	1.4
121.10152	14.6
123.11735	2.8
125.09628	2.8
127.47615	1.2
128.06197	2.0
129.07039	5.1
131.08562	14.2
133.10135	11.4
135.08031	1.0
135.11705	30.7
137.09695	1.0
141.07062	2.0
142.07837	1.1
143.08566	8.2
145.10147	17.2
147.11670	6.2
149.09689	1.3
149.13316	4.2
153.12740	1.0
155.08563	2.4
157.10143	6.8
159.11679	11.8
161.13292	3.4
163.11203	4.3
169.10094	3.3
171.10422	1.0
171.11688	5.8
173.09720	1.1
173.13261	6.0
175.14978	2.2
179.78325	1.1
181.12280	5.2
183.11745	3.5
185.13246	5.3
187.11357	1.3
187.14853	3.8
195.11604	1.1
197.13336	1.6
199.14857	2.4
201.16406	1.3
206.56607	1.0
209.13174	1.0
211.14882	1.4
223.14954	2.7
227.17937	1.0
261.22235	4.1
297.22125	1.2
301.21283	1.0
307.47513	1.2
317.24933	1.4
405.31494	1.7
416.42160	1.2
423.32651	7.0
440.75186	1.1
441.33691	3.2
497.36462	5.0
515.37390	100.0
516.38245	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
53.03935	3.8
55.01870	3.1
55.05269	1.4
55.05516	17.2
57.03437	7.1
57.07077	1.5
59.04973	1.2
61.50063	1.1
65.03933	2.7
67.05509	45.3
69.03412	1.8
69.07077	15.6
71.01363	1.2
71.04993	3.3
71.51516	1.3
76.07652	1.2
77.44875	1.2
79.05501	44.8
81.03413	3.3
81.06589	2.2
81.07064	34.8
83.04984	3.9
83.08607	6.1
85.06544	2.0
91.05492	28.7
93.07051	41.0
95.04982	4.0
95.08615	27.3
97.06541	5.0
97.10184	6.3
99.08068	1.9
102.81442	1.2
103.05384	1.0
105.07034	18.0
107.08605	23.4
109.10161	10.0
111.08098	1.9
117.07054	9.7
119.08595	14.6
121.06517	1.8
121.10162	14.1
123.08113	1.2
123.11723	1.2
125.09661	1.5
129.07039	6.4
131.08580	17.2
132.83061	1.2
133.10149	10.4
135.08022	1.7
135.11694	28.2
141.07014	2.1
143.08592	8.9
144.09439	1.2
145.06572	1.1
145.10133	18.2
147.11708	7.0
149.13289	3.7
153.12784	1.2
155.08537	5.7
157.10172	6.7
159.11668	12.0
161.09601	1.3
161.13286	4.1
163.11182	3.5
169.10152	4.6
171.11746	5.9
173.13295	8.5
175.14877	2.4
181.12288	3.7
183.11775	4.5
185.13304	5.8
187.14853	3.7
195.11804	1.9
197.13303	1.5
199.14868	2.1
201.16536	1.3
209.13335	3.6
223.14754	1.6
243.21114	1.5
261.22250	3.9
285.22119	1.3
299.23758	2.6
317.25027	1.4
336.38052	1.2
405.31470	4.3
423.32547	12.1
441.33743	3.0
459.34955	2.4
497.36163	6.8
515.37384	100.0
516.37689	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3893
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03926	2.1
55.01869	1.3
55.05515	15.7
57.03432	3.5
57.07079	3.1
59.77078	0.9
65.03915	2.0
67.05508	32.3
69.07072	16.8
71.04984	2.6
79.05498	24.4
81.03423	1.8
81.07062	36.7
83.04981	2.2
83.08623	7.0
85.06577	1.1
86.79321	0.9
91.05484	25.0
93.07052	30.6
95.04981	3.2
95.08611	32.3
97.06528	4.3
97.10173	5.4
103.05448	1.5
105.07034	23.8
107.04959	1.4
107.08603	21.2
109.06543	2.2
109.10165	16.9
111.08076	3.2
117.07022	9.4
117.47961	1.1
119.08590	26.6
121.10156	17.7
123.08074	1.5
123.11733	3.7
125.09665	2.4
128.06248	1.3
129.07028	4.7
131.08588	18.3
133.10139	21.2
135.11688	10.4
137.09653	1.7
141.07045	1.3
143.08578	4.9
145.10150	18.5
147.11679	13.6
149.13283	7.1
155.08588	2.1
157.10161	6.4
159.11710	14.2
161.13292	7.0
163.11227	1.2
163.14841	2.1
169.10143	4.1
171.11638	5.9
173.13260	9.6
175.14859	4.5
181.10207	1.3
183.11710	3.2
185.11763	1.3
185.13324	4.2
187.14809	6.4
193.10222	1.2
195.11748	1.4
197.13309	3.1
199.14832	4.0
201.16412	3.3
203.14359	1.0
203.18048	1.2
211.14894	2.1
213.16440	2.7
215.17914	1.3
225.16367	1.5
228.23186	0.9
229.15921	1.2
231.17690	1.1
239.18103	1.4
241.17810	1.6
245.19069	1.6
255.21451	1.3
259.20612	3.3
271.20718	1.4
273.22186	1.5
277.21817	1.7
285.22159	2.0
287.23685	1.5
299.08224	1.0
299.23727	3.1
303.23184	1.4
313.25278	1.8
315.23328	1.6
317.24692	1.5
327.26978	1.7
331.26431	1.8
333.24463	2.2
407.33170	5.3
425.34280	14.2
443.35382	6.6
447.31061	1.5
499.37900	18.0
517.38965	100.0
518.39227	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.9
55.05515	20.7
55.46629	1.2
57.03427	6.2
57.07064	2.8
65.03925	2.9
67.05508	59.3
69.07066	19.4
71.01373	1.8
71.04994	2.7
79.05496	57.3
81.03432	5.0
81.07059	41.7
83.04980	4.9
83.08620	6.1
85.06533	2.0
91.05482	32.4
93.07041	56.2
95.04979	4.3
95.08602	27.7
97.06550	7.4
97.10181	5.3
105.04509	2.4
105.07036	21.3
107.04974	2.0
107.08592	29.2
109.10159	13.1
111.08081	2.0
117.07027	10.8
119.08588	19.1
121.10149	16.9
123.08051	1.6
123.11731	2.5
125.09628	2.9
128.06229	1.9
129.07085	3.1
131.08559	14.4
133.10138	13.1
135.11693	37.3
137.09680	1.5
142.07710	1.3
143.08586	7.1
145.10114	15.4
145.11018	1.6
147.11682	7.3
149.13263	3.5
153.12727	1.8
155.08594	1.9
157.10153	6.4
159.11646	8.4
161.13287	4.9
163.11243	5.0
169.10225	1.6
171.11699	6.0
173.13275	6.6
181.12248	5.6
183.11806	2.8
185.13354	3.2
187.14870	4.2
223.14925	1.4
230.32204	1.8
245.08163	1.7
258.13013	1.4
261.22165	3.9
299.23538	1.8
405.31491	2.1
423.32489	8.2
441.33615	4.3
459.34915	2.1
497.36371	3.4
515.37335	100.0
516.37512	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	515.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61878	0.8
51.02382	1.1
53.03938	3.9
55.01865	2.2
55.05272	1.0
55.05513	14.3
57.03441	5.5
57.07068	2.4
57.19736	0.8
59.04997	0.7
65.03932	3.2
67.05505	46.5
69.03410	1.0
69.07066	12.8
71.01350	1.8
71.04977	3.5
79.05496	41.4
81.03412	2.2
81.07057	37.0
83.04995	4.3
83.08617	5.0
85.06547	2.5
91.05480	25.9
93.07044	44.2
95.04983	4.5
95.08611	20.5
97.06535	4.8
97.10145	6.5
99.08068	1.0
105.04492	1.3
105.07036	15.2
107.08595	26.9
109.06486	1.2
109.10168	10.1
111.08085	1.6
115.05477	1.6
117.07021	9.9
119.08582	12.4
121.06480	1.0
121.10157	15.4
123.08060	1.0
123.11716	2.4
125.09647	1.9
128.06238	1.6
129.06969	4.8
130.07776	1.6
131.08575	16.3
133.10138	11.6
133.43517	0.8
135.11693	28.3
141.07037	1.4
142.59108	0.8
143.08559	8.0
145.10135	17.5
147.11691	5.6
149.13289	4.2
151.11223	1.3
153.12732	1.1
155.08563	2.3
157.10130	5.8
159.11678	10.5
161.13309	4.6
163.11179	3.9
163.14825	1.5
167.99136	0.7
169.10168	2.5
171.11635	5.4
173.13243	5.6
175.14755	1.2
181.10219	0.7
181.12260	4.0
183.11700	3.2
185.13290	4.5
187.14845	3.4
195.11722	1.4
197.13226	2.1
199.14862	2.0
201.16515	1.2
211.14841	2.1
213.16470	1.0
225.16391	1.4
243.21135	1.0
261.22220	5.6
287.20111	1.1
299.23590	1.8
317.24670	1.4
322.19736	0.8
405.31494	2.8
423.32654	11.3
441.33606	3.3
459.34787	1.5
497.36362	4.1
515.37341	100.0
516.37793	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.4
53.03938	5.4
53.32531	0.9
54.33754	0.8
55.01860	2.3
55.05515	21.4
57.03437	6.1
57.07069	3.4
65.03938	2.8
67.05508	55.9
69.03410	1.0
69.07070	18.3
71.01343	2.9
71.04995	3.9
77.03922	1.4
79.05497	52.0
81.03416	3.6
81.07061	44.3
83.04998	6.4
83.08627	8.3
85.06552	3.7
91.05488	36.9
91.05934	0.6
93.07048	59.1
95.04983	6.4
95.08611	30.0
97.06528	6.6
97.10163	6.7
99.08128	1.1
105.04510	2.5
105.07036	23.4
107.04972	1.2
107.08595	30.4
109.06516	2.0
109.10162	12.1
111.08125	2.3
111.11742	1.3
113.12162	0.8
115.05469	1.5
117.07031	14.0
119.08591	17.6
121.06516	1.4
121.10159	18.3
123.08018	1.6
123.11732	2.2
125.09679	2.1
128.06212	2.0
129.07011	6.6
130.07828	0.8
131.08575	19.8
133.10147	13.6
135.08112	0.9
135.11705	35.8
137.09604	1.8
141.07024	2.0
142.07774	1.7
143.08575	8.0
144.09369	1.2
145.10135	20.1
147.11700	7.6
149.13292	4.9
153.12733	1.2
153.69685	0.7
155.08560	4.0
157.10100	6.3
159.11700	11.2
161.13286	5.1
163.11198	3.5
163.14813	1.2
167.08603	1.1
169.10159	3.2
171.11700	6.8
173.13235	8.0
175.14847	2.7
181.10048	1.2
181.12257	4.8
183.11739	3.4
185.13268	5.3
187.14862	3.6
195.11743	1.4
197.13309	3.3
199.13258	1.3
199.14870	2.7
201.16415	1.0
209.13307	2.4
211.14851	1.7
213.16418	1.3
223.14882	1.1
243.21129	1.1
259.20496	1.3
261.22147	3.9
265.19662	1.1
285.22025	1.0
297.22003	1.0
299.23669	1.3
311.23566	1.0
317.24911	1.4
405.31549	2.6
423.32608	9.1
441.33441	2.7
479.34885	1.3
497.36301	5.2
515.37347	100.0
516.37781	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.7
55.01883	6.3
55.05509	27.1
57.03433	14.6
61.02909	10.7
67.05508	93.0
69.03422	12.0
69.07056	22.4
71.05009	9.5
71.12131	12.2
79.05487	55.3
81.03415	19.7
81.07059	100.0
83.04990	12.9
83.08639	13.2
85.02910	13.0
89.79574	5.5
91.05495	52.1
93.07040	67.5
95.04974	13.4
95.08615	63.4
97.02887	8.6
97.06503	8.8
99.08064	5.8
100.68756	5.5
105.07036	43.1
107.08610	35.8
109.06535	14.0
109.10139	26.3
111.08060	8.9
113.00063	6.7
117.06999	19.2
119.08597	35.0
121.06547	5.9
121.10152	37.3
123.08049	10.0
123.11687	17.5
129.07060	9.4
130.23363	5.4
131.08580	27.9
133.10129	23.3
135.08043	13.5
135.11697	19.7
137.09621	6.9
143.08578	11.0
145.10150	27.4
147.11665	17.7
149.09708	8.5
149.13292	12.1
157.10109	8.2
159.11699	16.8
161.09697	6.9
161.13293	9.2
169.10136	7.0
171.11629	9.1
173.13245	13.1
175.14957	5.7
187.14868	11.1
243.21066	15.7
261.22067	25.1
269.17542	8.5
303.23062	5.4
335.25858	16.8
345.24063	8.2
353.26782	12.0
369.24420	6.1
419.27701	8.8
443.28192	7.0
459.86478	5.5
479.30020	9.1
480.30029	8.6
497.31302	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	515.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.1
55.01853	3.6
55.05513	23.0
57.03426	11.1
57.07071	5.8
58.68551	3.6
60.06936	3.7
61.02910	4.2
67.05510	100.0
68.72810	3.3
69.03416	8.0
69.07078	20.5
76.83694	3.5
79.05067	5.0
79.05497	55.6
79.48067	3.6
81.03429	7.5
81.06590	5.7
81.07063	99.8
83.08617	13.4
85.02901	9.8
91.05484	44.6
93.07050	69.9
95.04951	9.7
95.08614	68.4
97.02879	4.9
97.06518	8.4
97.10174	6.3
97.62842	3.5
98.20731	7.8
105.07022	29.5
107.04937	3.5
107.08606	37.8
109.06521	11.0
109.10168	37.9
111.08090	5.1
117.07014	15.7
119.08586	24.8
119.43728	3.7
121.10143	35.9
123.08057	5.9
123.11700	18.0
129.07082	7.4
131.08556	27.5
133.06493	3.5
133.10143	25.5
135.08058	7.6
135.11691	29.0
137.09599	4.9
137.13303	6.4
143.08549	6.5
145.10144	24.7
147.11647	15.8
149.13289	24.1
157.10104	9.6
159.11717	19.7
161.13248	11.6
163.14804	15.7
165.12865	4.1
169.10164	3.9
171.11700	5.5
173.13268	14.0
177.12695	5.4
177.16301	4.3
185.13228	7.4
187.14868	11.8
199.89613	4.0
201.16505	4.5
206.17934	4.0
243.21095	18.3
261.22128	67.6
279.23138	6.4
285.21988	5.0
317.24960	4.3
333.33823	4.0
335.25928	19.9
345.24344	5.9
353.26782	10.1
405.26581	3.8
419.27884	5.8
461.29089	4.2
497.30814	6.3
507.84204	3.8
515.37164	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	514.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30959	3.6
53.03937	8.0
55.05515	35.2
57.03444	30.6
57.07074	5.9
65.03915	5.4
67.05180	5.9
67.05508	90.4
68.05829	4.9
69.03421	5.3
69.07074	23.7
70.01447	8.4
70.01827	16.3
71.04984	9.7
79.05061	6.2
79.05495	56.4
81.03425	69.1
81.06586	6.9
81.07056	100.0
83.04985	21.1
83.08617	31.0
85.02927	24.3
85.06558	9.8
91.05482	56.5
93.07048	68.4
95.04985	33.8
95.08618	27.0
97.06516	12.3
97.10164	5.8
105.07036	34.0
106.13218	4.9
107.04925	8.9
107.08606	42.9
109.06485	7.3
109.10145	13.5
111.08083	13.5
113.05974	5.9
115.21458	4.5
117.07005	15.8
119.08585	23.3
121.10120	28.4
123.08057	7.9
129.06993	14.3
131.08549	23.5
133.10106	17.2
135.11653	12.2
142.07683	4.9
145.10156	7.1
147.08063	4.9
147.11673	15.7
149.09631	10.9
149.13284	31.9
157.10130	15.4
159.11678	12.1
165.12874	4.6
168.10478	3.9
171.11752	4.9
174.91963	4.0
175.11226	14.9
177.12761	8.3
193.12253	60.5
195.13789	13.4
211.13287	86.6
246.44612	4.1
249.14848	4.2
267.15924	29.0
269.17490	96.9
270.72061	4.2
285.16971	70.3
313.96204	4.1
332.84613	3.8
461.29123	40.4
479.30112	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	514.338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17418	2.5
53.03938	3.5
55.01868	4.7
55.05511	29.6
57.03442	20.7
57.07076	4.8
67.05510	82.4
68.05825	5.3
69.03422	5.6
69.07069	22.5
71.04984	6.7
73.56454	3.0
77.36118	2.9
79.05491	50.1
81.03423	53.5
81.07063	89.6
82.07349	4.3
83.04989	28.6
83.08624	30.5
85.02895	15.8
85.06531	6.7
85.12743	3.0
90.23337	3.6
91.05482	50.9
93.06494	4.3
93.07050	57.6
93.18396	2.8
95.04978	26.9
95.08618	30.8
97.06528	18.0
97.10177	5.2
97.45304	2.9
99.08112	3.0
105.07034	32.2
107.04949	8.6
107.08598	32.8
109.06522	5.1
109.10155	16.1
111.08067	16.4
113.05997	3.9
117.07030	6.9
119.08589	21.7
121.10142	23.8
123.11737	3.4
125.09612	3.8
129.05513	5.2
129.06993	12.9
130.05853	2.9
131.08585	20.0
131.09412	3.2
132.08871	3.4
132.61772	3.4
133.10138	24.7
135.11676	6.5
145.10141	4.5
147.08032	5.9
147.11679	13.2
147.69839	3.0
149.09592	5.0
149.13257	30.6
157.10143	18.5
159.11659	13.2
175.11183	13.4
177.12790	6.2
193.12251	50.8
195.13799	19.3
211.13303	77.8
267.15857	26.9
269.17499	100.0
285.16965	56.1
293.90744	3.1
310.60123	3.1
421.04614	3.7
461.29001	35.7
479.30014	77.8
505.71106	3.5
514.36334	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	513.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71925	1.0
54.88228	0.9
55.05500	4.2
57.07076	6.4
58.07387	1.2
67.05494	3.7
69.07073	5.6
70.06593	5.2
71.06912	1.2
71.08627	3.1
79.05505	2.0
81.07045	3.7
83.08613	5.0
85.10198	1.2
88.07632	6.4
88.89324	0.8
89.06018	2.8
89.07954	0.9
91.05473	2.3
93.07036	3.3
95.08610	8.3
97.10145	1.3
98.21471	1.8
102.09171	3.7
103.09526	1.2
105.07055	4.7
107.08613	4.7
109.06512	1.4
109.10143	3.6
111.08092	1.5
119.08582	8.2
121.10159	3.2
123.08049	1.9
130.99878	1.0
131.08575	1.1
133.08636	1.2
133.10115	6.2
135.08060	1.7
135.11684	5.0
137.05942	2.0
137.09608	4.0
145.10124	2.0
147.11668	4.2
149.09619	1.7
149.13300	1.6
151.07549	14.5
151.11194	1.6
159.11690	1.8
161.09666	1.5
161.13272	1.3
162.39406	1.0
165.09219	1.1
166.09921	3.7
175.14922	2.0
184.12021	1.0
185.13274	1.0
187.14795	1.8
189.16394	25.0
189.89870	1.1
203.14307	2.8
221.15379	7.0
256.26361	11.1
257.26691	8.7
282.78479	0.9
283.26306	9.3
284.26648	10.1
293.24374	1.0
312.29901	1.1
367.43042	1.2
387.28903	3.0
389.26865	1.1
401.26761	1.9
415.28604	2.1
416.29239	2.2
417.29691	1.2
432.28488	1.0
460.38007	1.0
477.85791	1.3
485.36285	100.0
486.36469	3.0
495.35046	1.4
512.50122	2.1
513.22601	2.7
513.35596	1.9
513.50745	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	513.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.1
55.01863	1.4
55.05270	1.1
55.05519	14.7
57.07064	3.8
61.79733	0.9
65.03934	2.5
67.05509	29.2
69.03455	1.3
69.07077	11.2
69.97720	3.1
70.06589	2.0
71.04984	2.6
71.08630	1.7
79.05502	21.1
81.03408	1.6
81.06588	1.5
81.07064	23.5
83.04982	3.5
83.08633	6.5
85.06534	2.2
85.10206	1.6
88.07647	1.5
89.06032	2.2
91.05488	19.9
93.07050	21.2
95.04971	2.2
95.08612	16.3
97.06525	3.1
97.10182	2.7
98.21470	1.0
102.09184	1.3
105.07039	22.8
107.04975	1.0
107.08607	13.6
109.06532	1.4
109.10160	7.6
111.08083	2.5
115.05462	2.0
116.06236	1.2
117.07028	14.7
118.05897	1.0
119.08591	20.6
121.06516	1.3
121.10147	7.1
122.38213	0.9
122.43964	0.9
123.08099	2.1
123.11682	1.9
125.09646	2.2
128.06236	2.6
129.06999	11.5
130.07759	1.3
131.08577	20.9
133.08607	1.6
133.10129	12.0
135.08084	2.0
135.11696	6.9
139.81650	1.0
141.07004	4.1
142.07799	3.4
143.08574	16.8
145.10132	16.4
147.08011	1.1
147.11667	5.9
149.09637	1.4
149.13263	1.2
154.07800	1.1
155.08563	9.5
156.09360	2.5
157.10132	16.5
159.11710	15.8
161.13275	2.8
162.67639	1.1
163.11211	1.1
167.08611	2.9
169.10135	12.3
171.08142	0.9
171.11707	12.4
173.13252	7.2
175.14832	1.2
179.08542	1.0
181.10173	4.9
182.11064	1.1
183.11710	13.6
185.11784	1.6
185.13281	10.7
187.14833	3.2
189.16412	1.6
193.10172	1.3
195.11710	5.0
197.13274	9.4
199.14865	6.0
203.14389	1.5
207.11769	1.4
209.13297	4.6
211.14821	4.9
213.16461	2.9
221.13246	2.2
222.13776	1.0
223.14946	2.5
225.16438	2.4
235.14792	3.3
235.17026	1.0
237.16385	1.0
241.19456	1.4
249.16299	1.2
256.26379	2.3
257.26712	2.0
259.20587	2.0
261.18573	2.2
267.21268	1.0
279.21176	1.2
281.22638	1.1
283.20691	1.1
283.26398	2.4
284.26776	2.8
295.20566	1.2
297.22128	2.7
309.22229	2.7
313.21793	1.2
315.23291	2.6
323.23618	1.4
327.23346	1.3
337.25253	1.2
341.24759	1.0
367.26236	1.0
393.31641	1.5
403.29849	6.0
421.31107	16.5
439.32278	6.1
457.33325	3.4
459.32837	1.3
477.34073	1.5
495.34818	10.3
513.35809	100.0
513.50714	8.6
514.36591	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	514.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.7
57.73304	3.8
61.02908	5.4
67.05500	11.8
69.75377	4.0
70.06602	9.6
71.50703	4.8
79.05486	14.6
81.03426	100.0
81.07060	5.9
83.04969	7.4
83.08633	22.6
84.08125	5.4
85.02899	5.6
86.09709	5.1
90.90417	3.9
91.05505	11.8
93.07034	10.0
95.04977	27.2
95.08601	14.6
105.07043	9.2
107.04955	6.2
107.08592	8.5
111.08087	10.5
119.08597	11.8
120.08060	5.0
121.10147	6.9
129.07021	4.6
131.08575	7.5
133.10135	4.5
134.82008	4.7
140.07104	7.3
147.11681	9.6
157.10150	10.6
164.10744	15.9
164.45268	5.0
175.11188	14.6
192.10274	13.8
193.12265	67.8
211.13477	5.3
263.10226	4.9
267.15912	52.0
285.17014	91.0
291.09952	5.7
309.17010	6.9
323.12421	16.6
331.22699	4.4
365.87769	4.6
429.20786	6.6
514.21997	14.1
514.29431	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28169	3.3
53.03940	7.0
55.05522	18.7
57.03423	8.2
61.02906	16.9
64.13722	3.3
65.03934	6.4
67.05505	52.8
69.03428	4.8
69.07056	12.2
78.54199	4.0
79.05493	42.8
81.03439	7.2
81.07063	49.0
83.04984	4.9
83.08631	11.6
85.02901	15.8
85.06541	5.3
91.03934	5.8
91.05488	37.2
93.07053	53.2
95.04988	7.5
95.08611	28.1
97.02888	16.6
105.07031	36.7
105.48941	4.4
107.08576	34.0
109.10163	14.7
117.07011	10.4
119.08591	33.7
121.10147	27.0
129.05551	5.0
129.06975	9.3
131.08588	22.2
133.10150	28.7
135.11708	21.2
143.08582	11.7
145.10129	14.9
147.11720	29.2
149.13246	18.1
157.10153	10.5
159.11671	17.4
161.13235	22.6
171.11661	12.6
173.11829	4.6
173.13292	9.2
174.02998	4.0
175.11151	5.3
175.14848	15.9
179.14351	4.3
185.13303	10.8
231.21036	5.3
241.19565	20.1
251.15460	5.5
259.20642	46.6
277.21594	12.6
321.71234	4.7
333.24194	7.8
349.23724	4.8
351.21146	7.3
351.25314	100.0
513.28784	6.5
513.36194	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	513.3064
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
55.01880	7.9
55.05517	22.9
57.03441	11.7
57.66241	4.0
61.02915	16.1
65.03937	6.2
67.05511	66.2
68.99496	3.7
69.03429	11.0
69.07068	20.1
71.04985	6.5
71.51797	5.6
73.02940	6.3
79.05503	46.5
81.03426	13.4
81.07073	60.2
83.04960	5.9
83.08627	12.5
85.02899	14.2
91.03949	6.9
91.05479	48.4
93.07045	61.9
95.04953	9.2
95.08624	35.8
97.02911	13.3
97.06597	5.6
97.10187	6.6
99.04482	5.2
101.40919	3.8
105.07040	37.1
107.08607	38.0
109.10164	25.3
115.05470	4.3
117.07027	14.5
119.08571	33.6
121.10158	26.7
123.11744	5.9
123.31938	3.7
125.09666	6.1
129.07056	8.6
131.07719	4.2
131.08577	23.8
133.10123	25.5
135.11702	31.8
140.00159	4.6
143.08582	8.4
145.10114	25.7
147.11703	21.9
149.09685	5.4
149.13191	20.3
157.10144	13.4
159.11739	10.4
161.13266	23.1
171.11710	12.6
172.73166	4.3
173.13254	7.4
175.14857	10.1
177.12968	3.9
185.13290	8.8
199.14941	8.5
203.14325	4.3
241.19530	22.2
259.20615	47.9
277.21774	10.2
290.46927	4.7
333.24158	11.9
351.25330	100.0
361.23615	5.6
367.22546	4.6
441.26001	6.3
477.28839	4.6
495.29108	8.9
513.28357	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	513.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96580	7.9
57.03420	1.6
59.02512	1.3
61.96892	1.3
68.98283	1.6
69.03439	8.2
69.78474	5.1
70.06570	1.6
73.02908	2.6
80.08925	1.4
81.03413	2.9
82.99870	3.8
85.01440	2.0
85.02914	13.4
88.29306	1.3
90.58097	1.3
94.99915	1.7
95.36508	1.3
97.02898	5.6
98.20766	1.5
98.97594	14.6
101.00887	19.4
103.02468	4.8
103.14340	1.4
109.02881	3.7
110.97582	5.3
113.00857	3.2
115.02465	1.7
115.42241	1.7
116.98653	7.2
117.04015	3.4
117.70485	1.4
119.01920	22.0
123.05555	2.7
127.02418	8.0
127.03909	6.9
128.98598	3.8
129.00357	3.4
131.01901	9.9
133.03445	2.5
134.99680	2.2
137.05969	1.8
139.02435	3.4
143.00182	1.7
143.01906	30.0
145.03485	23.6
145.04800	2.3
146.99673	1.4
147.01418	7.2
147.04445	3.8
153.01836	9.2
154.94160	1.5
155.01898	26.5
157.03465	11.1
158.99684	5.2
159.05132	1.5
161.01193	2.1
161.01399	2.3
161.02971	29.0
163.04460	2.0
167.01932	15.2
169.03497	5.8
170.99713	3.7
171.01424	16.2
171.05029	4.8
173.01456	1.9
173.02982	25.2
175.04482	1.8
177.00790	3.1
179.01912	6.2
182.99702	1.7
183.01352	2.4
183.05029	1.7
185.02969	47.7
185.06596	4.8
187.02989	1.4
187.04527	6.8
189.00851	1.9
189.02449	21.4
191.04031	2.3
191.90843	1.7
197.02983	18.7
199.04445	2.9
201.00795	2.7
201.02518	3.5
201.06197	2.0
203.04021	9.7
203.07663	2.4
207.01741	2.5
207.03529	6.9
209.02986	1.8
213.02530	4.5
215.04057	8.9
216.28140	1.3
219.01770	7.2
221.05154	5.4
227.04057	8.7
231.03531	86.4
231.07225	4.0
232.03658	1.9
237.02786	6.1
243.03680	12.3
245.05098	100.0
246.05318	4.0
249.04576	9.3
255.03571	3.4
257.05161	7.5
259.02402	1.8
261.04739	11.5
263.06207	12.1
266.06754	1.8
273.04645	3.1
273.08170	1.6
275.06128	15.1
285.04434	1.4
291.05585	13.3
293.07318	2.7
301.04080	1.8
303.01422	3.4
305.07199	10.6
305.10333	2.0
315.05820	2.3
321.10483	1.8
333.06622	20.3
333.10364	4.9
335.08240	4.7
339.09500	2.1
351.07553	6.7
365.09418	7.4
375.35703	1.5
393.07953	1.6
458.09210	1.7
513.06372	3.3
513.12946	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	512.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.7
53.03944	0.8
55.01859	0.7
58.12102	0.3
65.03938	0.5
69.03430	2.3
70.02960	0.9
71.50537	0.4
79.01856	3.9
81.03422	8.8
82.06588	0.4
85.02899	2.4
97.02901	3.4
99.04468	1.1
107.01323	1.5
109.02885	4.6
110.06077	0.5
111.04439	1.5
125.02367	3.7
125.04749	1.1
126.05582	0.3
127.03913	3.2
136.03963	1.3
138.05507	58.0
143.03403	5.4
145.04951	0.9
145.07597	0.8
146.07964	0.5
150.05437	0.5
152.05283	0.7
152.07065	0.8
153.01837	100.0
153.02892	5.2
154.02127	0.5
162.05510	0.9
168.67940	0.3
171.02901	4.4
180.06607	1.5
197.06833	0.5
198.07625	49.6
208.06070	0.4
222.07561	0.8
240.08673	1.3
260.09283	0.6
264.08685	0.7
273.43655	0.3
288.08640	2.5
297.06058	6.5
306.09671	0.4
315.07059	2.8
324.10699	0.3
342.11707	0.6
344.49738	0.3
416.09818	0.3
434.10776	0.7
476.11816	0.9
494.12567	1.6
512.14008	5.9
512.27655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
56.96559	2.1
57.03440	0.9
61.80810	0.7
66.75381	0.6
69.03429	2.6
71.04997	1.1
71.13130	1.8
73.02925	1.2
79.01849	2.1
81.03410	2.5
85.02916	4.5
90.66874	0.7
94.01150	0.7
96.99044	0.8
97.02894	5.5
98.97595	2.5
99.04463	4.4
103.05412	0.8
107.01344	1.3
109.02866	3.3
120.08114	22.5
122.48732	0.7
125.02364	3.1
127.03925	8.8
143.03426	3.8
143.04407	0.8
145.04961	3.2
145.07608	1.0
147.04439	1.6
153.01837	100.0
153.02887	4.8
154.02174	1.8
156.95709	0.7
158.99669	1.3
166.08646	9.1
171.02901	8.1
214.03844	0.9
260.10507	0.8
291.84515	0.7
303.01376	1.9
304.01596	1.0
315.07123	34.3
315.10840	1.7
394.99438	1.0
486.30338	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.4
53.03942	11.1
53.90092	2.1
55.01629	3.4
55.01872	39.4
55.05512	57.1
57.03440	23.3
57.07083	13.0
58.56931	1.9
61.02917	2.6
65.03930	6.8
67.05505	95.3
68.05822	2.4
69.03434	15.8
69.07069	29.1
71.04996	13.7
71.51617	2.4
71.52032	3.5
73.02908	5.9
79.05494	94.0
80.06269	3.8
81.03421	100.0
81.06590	4.2
81.07059	84.8
82.04189	8.1
83.04984	41.7
83.08157	2.9
83.08621	42.1
85.02905	44.9
85.06532	8.4
91.05484	90.3
93.07041	63.0
94.07815	2.9
95.04367	4.5
95.04969	62.7
95.08609	31.5
97.02888	12.6
97.06536	19.8
97.10169	21.0
98.07323	13.1
98.10401	2.1
99.04450	3.5
99.08106	3.4
103.05460	2.9
105.04528	2.8
105.07033	55.4
106.34657	2.1
107.04948	18.5
107.08600	31.9
109.06543	13.9
109.10157	19.2
109.22207	2.1
110.97565	2.1
111.04430	13.1
111.08086	23.6
113.05997	2.7
115.05438	3.4
116.04704	3.7
117.06969	10.4
119.08578	42.3
121.06482	8.3
121.10145	28.4
123.08043	10.7
123.11718	4.2
125.09623	22.9
127.07462	2.3
127.11205	5.9
129.05452	6.8
129.07008	22.6
131.08551	24.2
133.06454	3.9
133.10115	29.8
135.08093	6.6
135.11763	11.5
136.08913	2.6
137.09566	5.0
139.11156	2.8
142.07790	4.8
143.08548	3.5
145.06512	3.1
145.10112	11.3
147.08058	5.3
147.11708	35.0
149.09610	15.7
151.11214	3.7
153.09102	4.9
153.12796	3.1
157.10161	25.2
158.05763	12.5
159.11713	3.0
163.11179	12.7
165.12735	6.2
171.06549	14.0
173.09645	2.6
173.11737	4.1
175.11185	28.7
181.12250	3.8
185.08101	7.1
185.11670	3.0
189.11137	5.9
190.04716	2.7
191.10664	6.5
193.12253	75.5
199.09651	5.7
199.13274	9.3
201.14871	3.6
209.11681	13.6
211.13287	89.1
217.11615	2.0
227.12805	16.2
229.14256	4.5
241.14154	2.7
242.15053	5.0
249.14856	4.2
255.12189	2.6
255.15976	10.3
262.55600	2.3
265.14124	2.4
267.15991	11.3
283.15390	8.6
285.16980	12.3
301.16199	2.6
311.18488	6.7
311.22186	6.6
326.24451	3.6
339.17993	12.3
339.21609	6.0
349.23727	3.7
367.21027	4.9
381.22485	3.4
382.27032	4.4
395.23944	2.5
401.23126	3.9
409.25711	6.4
419.24142	2.5
439.26880	6.4
475.26962	6.2
476.27396	2.8
493.28012	12.7
494.28787	4.3
511.28934	61.3
512.29047	2.9
518.82275	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	511.291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81447	3.9
53.03947	13.6
54.04498	3.3
55.01871	16.5
55.05303	3.3
55.05516	36.1
57.03441	29.4
57.07067	9.3
65.03956	7.0
67.05513	99.6
68.05849	4.0
69.03437	36.6
69.07083	25.4
69.85857	18.2
71.04996	26.8
79.05502	70.9
81.03426	75.3
81.07069	100.0
83.05003	26.3
83.08635	22.6
85.02917	30.2
85.06548	6.8
86.79797	3.4
91.05494	70.0
93.07055	59.5
95.04980	31.5
95.08617	32.8
97.02895	27.4
97.06574	16.1
97.07115	3.5
97.10172	13.0
99.04464	8.8
99.08109	6.0
101.02373	3.8
105.07050	49.9
107.04952	12.1
107.08608	38.6
109.02889	10.4
109.06517	12.4
109.10172	36.4
111.04457	10.1
111.08092	13.1
117.07048	19.9
119.08578	30.7
121.06545	6.9
121.10165	26.2
121.84330	3.1
123.04507	4.8
123.08057	9.4
123.11709	11.2
125.09627	9.7
127.03883	19.3
129.05521	5.9
129.07008	14.9
131.08592	27.1
133.06522	5.3
133.10153	38.2
135.08041	5.7
135.11705	22.5
137.09619	8.8
142.07780	6.1
143.08559	5.9
145.10130	16.6
147.08043	5.4
147.11736	24.8
149.09619	12.4
149.13275	13.2
151.11226	8.4
155.08559	4.6
157.10132	13.3
159.11719	14.8
161.09610	3.8
163.11171	6.0
165.12737	6.2
168.48462	3.8
171.11644	4.9
173.04466	16.5
173.09613	5.0
173.11716	3.2
173.13222	7.0
175.11182	12.7
177.12721	6.3
179.10669	4.4
193.12254	31.8
195.13858	11.5
209.11852	4.7
211.13342	28.4
224.92438	3.6
227.12859	6.5
229.14362	3.6
233.15482	3.6
257.18942	4.2
267.15884	7.5
269.17453	8.9
275.20120	20.5
312.43909	3.6
339.18127	6.1
349.23892	24.2
413.21912	23.7
493.27859	14.1
511.28558	39.3
532.03693	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	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.5
53.04174	2.3
55.01877	13.8
55.05513	38.1
55.67364	2.5
56.25660	2.6
57.03444	22.4
57.07066	4.4
59.04984	3.8
61.02905	6.0
65.03947	4.9
67.05505	93.7
69.03439	30.0
69.06792	2.3
69.07073	24.9
70.90782	3.1
70.91099	5.0
71.05003	20.6
73.02909	3.0
74.01175	2.5
79.05497	71.0
81.03426	71.5
81.07058	100.0
81.07785	3.8
83.04991	19.7
83.08633	20.5
85.02921	29.0
85.06531	4.7
87.04432	3.6
87.29906	2.5
91.05487	66.2
93.07049	55.5
95.04974	25.5
95.08619	40.9
97.02909	23.4
97.06551	14.4
97.10150	12.5
99.04443	8.6
100.32362	2.4
105.07035	51.7
107.04936	9.9
107.08600	29.2
109.02883	9.3
109.06516	12.4
109.10159	27.0
111.04432	7.5
111.08066	7.9
115.05448	4.2
117.07071	15.7
118.51059	3.0
119.08586	38.3
121.06511	6.1
121.10162	25.3
123.08073	9.1
123.11697	11.0
125.09626	8.4
127.03917	10.2
127.07531	3.3
129.05478	3.1
129.07014	6.0
131.08574	21.6
133.06494	4.2
133.10129	34.1
135.08049	8.5
135.11678	11.8
137.09612	3.9
142.07788	3.7
143.08574	5.7
145.06453	3.6
145.10149	18.5
147.07954	4.4
147.11696	23.1
149.09598	12.3
149.13252	8.3
151.11163	6.9
155.08507	4.2
157.10104	11.3
159.11731	17.5
161.13234	5.5
163.11197	7.5
165.12753	5.9
169.10149	6.3
171.06425	3.0
171.11696	4.7
173.04507	9.1
173.11836	3.8
173.13269	9.9
175.11183	8.7
177.12779	7.9
181.12189	4.3
183.11713	4.8
187.11296	4.2
191.10747	4.1
193.12265	22.9
195.13785	8.1
197.13255	3.2
201.12830	3.1
209.11665	6.1
211.13280	19.8
227.12720	6.1
239.17897	4.4
257.19064	8.6
267.15884	5.0
269.17502	3.4
275.20065	31.9
283.15228	4.1
296.63455	2.6
329.10550	3.1
338.91632	3.0
339.17944	3.3
349.23788	31.1
391.24612	3.5
413.21777	13.9
439.26965	14.3
467.29910	5.9
475.26685	6.1
493.27689	13.4
511.28516	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.8
54.06459	1.4
55.01869	5.8
55.05513	18.8
57.03441	3.9
57.07079	50.2
59.04972	1.4
64.46846	1.4
64.83551	1.3
65.03947	3.5
67.05508	73.3
67.75927	1.4
69.03439	3.4
69.07069	24.8
69.32437	3.3
69.32835	9.6
71.04994	6.2
71.08640	35.6
79.05504	21.9
81.03423	4.3
81.07063	71.9
83.04987	7.2
83.08628	16.3
85.06546	10.3
85.10186	20.5
89.06036	3.8
91.05486	43.6
93.07048	17.7
94.11455	1.4
95.04993	5.2
95.08615	39.7
97.06545	3.3
97.10183	8.3
98.21485	2.3
99.04475	4.0
105.06316	1.6
105.07040	46.9
107.08607	38.3
109.06538	6.4
109.10167	89.4
109.25703	1.5
110.10513	1.6
111.04449	1.4
111.08096	1.9
111.11768	2.3
113.06006	3.7
119.08607	5.3
121.10157	1.9
123.08109	2.5
123.11710	17.7
125.09626	2.2
127.07581	5.5
128.06242	1.5
129.06972	1.4
131.08624	3.8
133.08557	3.3
133.10136	90.6
135.11726	2.1
137.09654	1.6
139.11197	1.5
145.10152	2.1
151.09967	3.3
151.11192	64.6
152.46495	1.4
161.09708	2.4
169.12260	16.7
179.10722	2.1
197.11710	2.3
215.12762	6.6
235.35904	1.3
239.23654	7.7
253.11708	3.2
253.14365	65.9
271.15475	2.2
289.03397	2.4
338.82709	1.4
491.36896	1.7
491.50082	1.4
509.38428	100.0
510.38519	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	509.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	13.8
55.01878	19.6
55.05515	55.8
57.03440	26.7
59.04994	3.7
62.84366	3.0
65.03929	8.0
67.05511	90.2
69.03416	13.5
69.07073	25.4
70.06591	5.2
71.01366	5.1
71.05007	20.7
72.28741	2.9
73.19095	3.1
73.84493	2.9
76.02225	3.3
79.05499	86.4
79.77518	3.1
80.32088	2.9
81.03426	51.0
81.06599	5.9
81.07062	100.0
83.04990	24.2
83.08626	32.7
85.02910	19.0
85.06536	7.7
91.05493	81.8
93.06494	4.9
93.07053	78.1
95.04974	73.2
95.08614	47.0
97.02890	12.4
97.06525	12.6
97.10174	33.8
98.20718	6.4
99.04427	3.8
103.05464	5.5
105.03400	3.6
105.07035	45.2
107.04965	47.9
107.08604	46.4
109.02888	6.7
109.06525	48.3
109.10146	38.6
111.04452	15.1
111.08092	15.3
115.05432	4.3
117.07045	24.8
119.08582	31.3
121.06502	35.6
121.10143	35.7
123.04449	8.2
123.08070	10.8
123.11665	9.5
125.09653	32.6
128.06213	3.7
129.06985	13.5
131.04918	5.0
131.08580	37.1
133.06500	6.0
133.10114	25.1
135.08069	25.6
135.08945	5.1
135.11722	19.4
135.12563	3.7
137.06007	4.4
137.09644	8.0
139.11201	5.1
141.07019	7.1
143.08566	10.3
145.06490	13.1
145.10153	25.7
147.08026	13.1
147.11685	9.9
149.05940	4.1
149.09605	17.0
151.11160	10.9
152.89803	3.8
153.01820	8.0
153.09047	4.6
153.12721	5.5
155.08539	8.9
157.10127	9.2
159.08005	4.5
159.11688	9.8
161.09607	8.8
163.07652	3.2
163.11194	34.2
165.12737	5.1
167.10631	14.9
169.10097	5.8
171.11684	4.8
173.09642	5.8
173.13261	8.4
175.11192	10.1
177.12801	3.5
178.23877	3.1
179.10732	3.7
181.10059	4.3
181.12178	9.5
185.09656	3.0
189.09117	6.0
189.11191	10.9
189.12732	3.6
191.10683	9.4
191.14316	9.3
193.12273	30.5
195.10126	6.8
195.11760	4.6
197.13240	5.4
199.13234	18.2
201.12721	7.8
205.12256	10.3
209.11684	22.6
211.11458	5.4
211.13237	24.3
215.14250	5.0
219.13803	33.6
223.13206	15.5
225.11156	3.8
227.12791	31.8
232.89931	3.9
233.15428	8.8
237.14731	5.6
247.13365	3.4
259.47333	3.3
267.15955	6.2
273.14444	4.6
273.17105	15.2
275.16443	5.2
283.15408	14.8
293.17484	27.5
339.23181	6.0
349.21573	13.1
367.22751	33.4
381.20767	4.6
385.23862	28.8
399.21603	4.0
403.24854	8.0
417.26425	4.8
441.26016	8.2
459.27319	22.7
477.28333	9.5
491.29764	15.4
509.27274	55.6
536.66888	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	509.2749
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.00297	4.2
53.03936	7.3
54.32310	2.0
54.93811	2.2
55.01868	12.4
55.05517	43.2
57.03452	15.8
59.05002	5.0
62.97356	2.0
65.03944	4.9
67.05509	52.9
69.03423	7.1
69.07079	11.5
69.24181	1.9
71.01357	3.3
71.04990	9.7
74.44092	2.4
79.05503	44.2
81.03424	63.5
81.07057	50.1
83.04989	22.6
83.08624	38.2
85.02906	25.0
85.06543	3.4
90.96735	1.9
91.05482	63.3
93.07046	46.0
95.04977	33.9
95.08617	19.4
97.02924	10.3
97.06552	10.8
97.10185	6.5
99.00818	18.3
99.04459	6.1
99.08076	3.0
103.05447	2.8
105.04556	3.3
105.07034	49.4
107.04966	15.2
107.08598	21.9
109.02867	10.9
109.06534	11.9
109.10146	13.8
111.04456	8.8
111.08108	14.6
115.03918	3.2
117.07037	9.1
119.08591	34.1
121.06514	12.3
121.10155	12.0
123.08064	6.2
123.11684	5.2
125.05997	2.1
125.09650	7.4
128.06236	3.4
129.07019	12.7
131.08617	15.8
133.06487	6.9
133.10138	46.5
135.08043	2.8
135.11694	12.1
137.06013	4.4
137.09639	3.6
139.07582	3.6
142.07774	3.0
143.08556	6.4
145.10155	9.4
147.08078	8.4
147.11670	12.8
149.09650	6.0
151.11163	11.8
157.10139	15.3
161.09645	20.7
163.11195	13.0
165.12772	2.5
171.06538	2.4
171.08038	3.8
175.11212	16.6
179.10648	12.1
189.09143	13.3
189.11115	2.9
193.12256	56.0
197.11781	4.1
197.79335	2.1
207.10170	6.3
209.11751	12.0
211.13301	64.7
219.13924	3.0
225.11183	18.3
227.12737	17.7
265.14389	2.8
267.15906	3.9
267.95868	1.9
281.13873	2.8
282.26410	2.5
283.15497	5.7
299.14905	4.0
383.28574	2.1
491.26434	5.3
509.27515	100.0
510.27618	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	509.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.2
55.01858	19.9
55.05513	58.8
56.54171	4.2
57.03426	16.4
58.43940	4.7
65.03936	5.6
67.05180	8.4
67.05509	100.0
69.03405	7.7
69.07076	24.7
69.17148	29.7
69.17575	19.8
71.04998	20.2
78.91132	4.5
79.05067	8.8
79.05494	99.2
81.03419	36.7
81.07063	89.0
83.04976	19.1
83.08627	31.8
85.02903	5.3
85.06539	7.0
91.05492	63.5
93.07050	98.5
95.04969	78.1
95.08630	45.1
97.06539	19.0
97.10177	45.4
105.07039	37.8
107.04974	50.8
107.08604	51.4
109.06529	68.1
109.10148	24.7
111.04471	5.2
111.08064	6.4
117.07010	23.5
119.04982	5.2
119.08616	32.3
121.06500	26.5
121.10162	39.9
122.65998	5.0
123.08057	19.8
123.11752	5.9
125.09648	33.4
129.06989	14.7
131.04855	6.0
131.08560	40.1
133.06480	6.2
133.10115	23.5
135.08076	30.2
135.11722	16.4
139.11194	8.5
143.08549	10.9
145.06490	17.4
145.10129	27.4
147.08078	13.8
147.11708	10.8
149.09612	14.3
153.09180	6.1
153.12759	6.4
155.08586	6.5
157.10110	9.4
159.11728	10.0
161.09587	5.7
161.13303	5.6
163.11191	35.4
167.10713	8.7
169.10165	6.5
173.09703	7.9
173.13167	6.3
175.11095	6.2
181.12216	9.8
187.11211	7.9
189.11253	15.0
191.14299	14.2
193.12231	14.8
195.11685	7.7
195.37651	5.3
199.13290	23.6
201.12587	5.7
205.12131	8.6
205.15732	4.8
209.11790	10.2
211.13235	7.3
215.14369	5.6
219.13814	35.9
221.11810	4.7
223.13278	12.9
227.12790	34.4
229.12363	5.0
233.15424	16.7
237.14902	11.1
267.15860	6.4
273.14462	7.4
273.16971	16.4
283.15384	7.7
293.17450	25.8
305.54312	5.0
311.52884	4.8
342.45239	4.6
349.21628	16.2
367.22690	49.7
385.23691	34.6
403.24417	8.4
417.26248	6.5
441.26526	6.8
459.27496	33.1
477.28418	21.0
491.30621	24.0
509.27512	8.9
509.30551	8.3
530.49762	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2751
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
50.81674	1.9
51.62288	2.2
53.00317	2.8
53.03935	9.1
55.01878	11.6
55.05515	41.6
57.03439	14.7
59.04995	3.4
65.03933	3.9
67.05510	68.9
69.03422	7.4
69.07072	17.0
69.18235	23.2
71.01363	11.4
71.04996	10.4
73.02898	2.5
76.48678	2.1
79.05495	64.4
81.03423	75.3
81.06594	3.7
81.07063	61.1
82.27203	2.6
83.04994	17.4
83.08624	32.8
85.02911	32.3
85.06535	5.0
91.05485	68.7
93.07053	50.7
95.04974	44.9
95.08616	24.0
97.02886	10.5
97.06521	9.0
97.10175	13.4
99.00818	6.0
99.04473	2.3
105.04254	2.1
105.06297	3.2
105.07033	48.4
107.04955	17.3
107.08610	31.2
109.02870	5.2
109.06518	12.2
109.10152	25.5
111.04444	7.7
111.08088	13.5
113.05951	3.5
115.05434	3.2
117.07043	10.4
119.04962	3.0
119.08591	28.6
121.06511	7.4
121.10162	21.2
123.04397	3.1
123.08051	5.7
123.11724	5.7
125.06003	2.4
125.09651	8.2
128.06212	3.6
129.06987	9.5
131.08560	16.0
131.84348	2.2
133.06500	4.9
133.10139	37.8
135.08032	6.1
135.11743	5.8
137.05959	4.6
137.09578	6.4
142.07712	3.3
143.08542	5.0
145.06500	2.5
145.10133	9.3
147.08037	4.0
147.11700	13.6
149.09612	9.9
151.11145	13.9
153.12769	2.3
157.10124	11.6
161.09581	11.2
163.11172	7.8
165.09145	2.9
165.12805	4.2
169.12384	3.6
173.09567	3.0
175.11200	12.0
179.10706	5.4
181.12285	3.0
184.07318	3.3
189.09128	7.0
189.11195	3.1
191.10666	2.9
193.12244	50.6
193.13884	3.4
197.11739	2.8
199.13200	3.0
207.10085	2.7
209.11769	7.1
211.11343	3.7
211.13315	62.8
219.13803	3.5
225.11218	15.1
227.12686	10.2
267.15918	7.4
281.13925	2.9
283.15475	6.1
299.14923	3.4
350.90036	2.5
359.75665	2.3
367.22830	3.8
372.40176	2.5
385.23785	2.9
429.24686	2.5
491.26447	6.2
509.20425	7.4
509.27466	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	507.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
53.35122	0.8
55.01875	1.2
55.05517	17.8
57.03437	3.1
57.07081	50.0
65.03938	1.7
67.05510	62.9
69.07072	22.4
71.04985	2.7
71.08636	31.7
74.80544	0.8
75.86262	0.8
79.05499	28.8
80.95788	0.9
81.03426	4.7
81.07063	75.0
83.04985	4.3
83.08625	21.4
85.06538	4.2
85.10190	18.0
91.05486	18.2
93.07050	35.4
95.04968	4.7
95.08614	39.6
97.06540	7.4
97.10180	7.9
98.21554	1.4
99.08107	1.6
99.11752	1.2
105.04503	1.6
105.07047	6.6
107.08604	19.5
109.06562	1.3
109.10168	16.8
109.10920	1.1
111.08084	4.9
111.11728	1.4
117.07003	6.3
119.08600	1.7
121.06557	1.3
121.10164	10.1
123.11713	8.3
125.13310	1.3
131.08595	4.3
133.10124	9.0
135.08051	1.4
135.11731	6.3
137.13280	2.2
139.11208	1.1
147.11734	1.2
149.13274	20.9
151.11205	1.6
159.11655	7.0
177.12787	3.7
195.13803	13.9
213.14896	1.9
214.47701	0.9
214.56419	0.8
239.23772	10.8
298.72894	0.9
405.84265	1.1
439.06873	0.9
498.58453	1.0
507.40494	100.0
508.40909	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	509.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10134	1.5
56.96561	2.1
58.64594	1.3
69.96392	1.4
71.50083	1.4
73.31985	1.4
97.02893	3.0
98.97580	7.7
101.00865	2.4
110.70586	1.3
116.98638	3.6
118.52158	1.3
119.01923	4.6
123.63800	1.4
145.64923	1.4
158.99828	2.7
177.00940	13.2
201.01015	3.3
217.04085	2.8
219.02019	25.5
220.02090	1.9
225.01054	4.5
240.98988	2.1
241.99089	1.9
242.98634	1.6
242.99570	1.5
243.02048	15.6
244.02165	1.8
258.97202	1.3
258.99936	7.7
260.00168	3.3
261.00110	5.6
261.03091	100.0
262.03271	7.1
263.02963	4.3
277.00980	4.7
278.01050	2.6
279.00806	3.4
283.00027	10.6
284.00034	8.8
284.04572	2.2
284.99796	12.3
285.99670	1.5
286.99744	4.7
301.01074	7.5
302.01175	10.6
303.00928	9.7
304.00909	1.8
305.01016	3.6
358.43536	1.5
367.02328	1.8
385.03351	25.9
395.58469	1.4
402.01819	2.0
403.04803	19.0
426.01321	5.0
443.02075	4.1
444.02133	6.6
445.02081	2.3
508.96432	7.0
509.03348	9.0
527.01550	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2391
Annotation	Milolide K
Peak:m/z	Relative Intensity
53.03957	2.3
55.01862	2.4
55.03596	1.0
55.05521	7.1
57.03443	1.8
57.07077	1.9
65.03938	1.8
67.05508	12.6
68.56640	1.0
69.03446	5.9
69.07089	6.7
69.26197	4.7
69.26632	5.7
71.04982	3.5
79.05499	8.1
80.26178	1.2
81.03428	9.8
81.07056	13.2
83.04998	7.1
83.08614	5.3
85.02922	5.4
85.06538	1.6
91.05481	6.7
93.03418	2.1
93.06542	1.4
93.07050	10.0
95.04980	5.9
95.08614	14.9
97.02900	6.1
97.06519	2.2
97.10175	2.3
99.04440	1.6
99.08103	2.3
103.05458	1.4
105.07064	8.2
107.04951	3.5
107.08606	11.4
109.02863	2.7
109.06536	6.1
109.10168	45.1
111.04449	7.8
111.08089	2.7
117.06996	2.0
119.08585	17.7
121.02861	2.8
121.06505	2.2
121.10162	9.9
123.08099	5.7
123.11727	3.5
125.09605	2.6
125.99468	1.1
127.03931	3.6
127.51432	1.1
129.06914	1.8
131.08534	2.5
133.10135	12.4
135.08058	1.2
135.11702	41.6
137.02359	100.0
137.05966	2.0
137.09659	7.1
145.04887	1.5
145.10103	2.7
147.11693	2.1
149.09637	1.3
149.13264	3.6
151.07532	1.4
151.11215	5.5
151.14824	5.0
153.01840	4.3
153.12729	1.4
155.03400	11.8
161.09712	1.4
163.11162	1.3
165.16371	1.6
175.11259	1.2
175.14861	17.7
193.15906	27.7
203.57994	1.1
209.11729	2.7
211.13191	1.3
211.16945	22.6
227.12762	1.5
281.06558	8.5
299.07602	8.5
359.09042	1.3
362.96747	1.2
363.62030	1.2
407.15887	1.1
509.27344	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	507.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84701	1.0
53.03946	2.6
55.01873	2.1
55.05267	2.0
55.05516	27.1
57.03440	6.9
57.07078	17.8
59.05000	1.6
65.03943	2.3
67.05511	100.0
67.26911	1.3
68.05825	1.8
69.07072	17.5
71.04998	4.3
71.08626	12.6
79.05067	2.4
79.05500	28.4
81.03417	3.5
81.07064	77.3
83.04974	4.3
83.08626	19.9
84.30927	1.3
85.06544	4.7
85.10175	5.1
91.05486	20.5
93.07056	37.4
95.04992	3.3
95.08616	47.2
97.06522	4.0
97.10173	11.9
98.21535	2.5
99.08098	1.8
105.07037	13.7
106.07407	1.4
107.08599	27.5
109.06561	2.0
109.10162	57.1
111.08098	4.1
113.09625	1.8
117.07044	6.3
119.08589	12.4
121.06545	1.4
121.10167	16.3
123.11700	8.9
125.09620	9.0
131.08577	11.4
133.10149	13.3
135.11717	11.7
137.09604	2.7
137.13268	3.9
145.10144	6.5
147.11693	6.5
149.13283	11.4
155.10709	4.7
159.11707	8.6
159.91957	1.7
161.13239	5.2
163.14868	3.3
169.10170	1.5
171.10182	1.8
171.11621	2.1
173.11752	8.9
173.13321	4.3
177.12761	3.7
185.13211	2.0
187.14862	3.8
189.11261	5.7
195.13841	4.8
219.51085	1.3
227.12741	8.7
229.14349	29.5
239.23711	2.9
243.21030	4.1
252.66956	1.5
259.20605	2.8
261.22177	26.1
263.23727	1.4
289.21521	1.3
317.24707	3.7
333.24374	1.4
335.25836	18.2
379.29773	1.8
397.30948	4.2
415.32074	5.7
433.33060	6.7
439.66287	1.5
471.34653	3.1
489.35693	27.0
490.36163	1.6
507.40039	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84701	1.0
53.03946	2.6
55.01873	2.1
55.05267	2.0
55.05516	27.1
57.03440	6.9
57.07078	17.8
59.05000	1.6
65.03943	2.3
67.05511	100.0
67.26911	1.3
68.05825	1.8
69.07072	17.5
71.04998	4.3
71.08626	12.6
79.05067	2.4
79.05500	28.4
81.03417	3.5
81.07064	77.3
83.04974	4.3
83.08626	19.9
84.30927	1.3
85.06544	4.7
85.10175	5.1
91.05486	20.5
93.07056	37.4
95.04992	3.3
95.08616	47.2
97.06522	4.0
97.10173	11.9
98.21535	2.5
99.08098	1.8
105.07037	13.7
106.07407	1.4
107.08599	27.5
109.06561	2.0
109.10162	57.1
111.08098	4.1
113.09625	1.8
117.07044	6.3
119.08589	12.4
121.06545	1.4
121.10167	16.3
123.11700	8.9
125.09620	9.0
131.08577	11.4
133.10149	13.3
135.11717	11.7
137.09604	2.7
137.13268	3.9
145.10144	6.5
147.11693	6.5
149.13283	11.4
155.10709	4.7
159.11707	8.6
159.91957	1.7
161.13239	5.2
163.14868	3.3
169.10170	1.5
171.10182	1.8
171.11621	2.1
173.11752	8.9
173.13321	4.3
177.12761	3.7
185.13211	2.0
187.14862	3.8
189.11261	5.7
195.13841	4.8
219.51085	1.3
227.12741	8.7
229.14349	29.5
239.23711	2.9
243.21030	4.1
252.66956	1.5
259.20605	2.8
261.22177	26.1
263.23727	1.4
289.21521	1.3
317.24707	3.7
333.24374	1.4
335.25836	18.2
379.29773	1.8
397.30948	4.2
415.32074	5.7
433.33060	6.7
439.66287	1.5
471.34653	3.1
489.35693	27.0
490.36163	1.6
507.40039	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	20.2
57.03434	4.9
57.07067	11.0
61.02909	4.4
64.02287	4.1
67.05509	29.4
69.03422	13.9
69.07077	41.5
70.06586	4.1
71.04996	4.6
71.24609	5.6
79.01845	4.4
79.05507	19.3
80.32620	3.1
81.07061	100.0
83.08620	17.2
85.02898	15.4
85.06543	26.1
86.09686	4.7
91.05474	19.4
93.07047	44.5
95.04987	3.6
95.08619	86.2
97.02872	8.3
97.06521	9.9
97.10154	9.8
99.08107	16.4
103.05502	3.8
105.07041	19.7
107.04937	5.0
107.08596	52.3
109.02878	4.7
109.10155	48.0
111.08065	12.8
111.11748	11.7
119.08572	15.4
120.08109	4.3
121.10147	30.8
123.08099	5.6
123.11707	29.9
127.03942	4.8
131.08600	5.2
133.10153	8.1
135.11720	17.3
136.82523	3.2
137.05986	6.8
137.09651	5.1
137.13261	21.3
138.80338	3.7
139.11179	8.2
142.69847	3.6
143.03423	6.3
143.18408	3.3
145.10081	6.5
147.08034	5.1
147.11697	10.6
149.13242	35.0
151.14935	4.0
153.00604	3.5
153.01843	67.5
153.02939	5.1
153.12758	9.6
154.02173	24.9
157.10121	4.3
161.13295	4.6
163.11183	5.7
163.14832	15.7
165.09055	4.8
167.14340	5.5
171.08139	3.9
177.16403	13.2
195.17422	5.5
201.56633	3.8
213.18489	12.4
217.19591	5.5
249.33658	4.1
254.39136	3.8
261.25867	4.2
265.25482	3.8
273.25589	6.0
279.26968	8.7
287.05466	10.5
291.26831	26.5
297.27747	10.1
306.03098	4.6
309.27933	23.1
327.29010	5.5
507.18521	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	507.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23457	1.4
51.71581	1.4
53.03946	4.1
54.09509	1.3
55.01883	2.8
55.05515	26.5
57.03420	8.2
57.07084	8.8
58.29815	1.5
59.04998	1.4
60.07954	1.5
65.03929	3.3
67.05510	100.0
67.47163	1.4
69.03439	2.9
69.07070	18.1
71.05000	4.6
71.08633	6.9
71.51543	1.5
72.62876	1.4
75.69636	1.6
79.05498	30.3
81.03425	9.1
81.07064	58.8
82.03773	1.6
82.07395	1.7
83.04986	3.2
83.08624	18.1
85.06532	4.8
85.10196	2.3
91.05495	26.7
93.07049	33.6
95.04987	5.5
95.08616	48.0
96.08920	1.6
97.06564	3.2
97.10171	14.3
99.08088	3.2
105.07034	17.8
107.08614	24.3
109.06505	2.8
109.10165	61.3
111.08080	4.8
117.07027	10.1
119.08595	19.4
121.06514	1.7
121.10158	17.9
123.11707	7.3
125.09645	12.4
129.06999	3.1
129.49919	1.4
131.08569	13.8
133.06544	2.1
133.10123	11.4
135.08072	2.1
135.11687	9.5
137.09622	3.2
137.13264	4.7
143.08548	2.1
145.10130	12.1
147.11661	9.2
149.09634	2.3
149.13272	7.7
155.10666	3.0
157.10149	4.0
159.11722	9.0
161.13274	6.9
163.14870	3.5
171.11722	3.8
173.11736	14.3
173.13281	7.5
175.14839	1.8
187.14905	2.4
187.62975	1.4
189.11266	9.6
193.12314	3.3
194.12599	1.8
195.00267	4.4
197.13339	1.6
199.14857	2.4
201.16417	2.0
227.12819	11.4
229.14365	30.2
237.51407	1.6
243.21063	4.0
259.20645	2.7
261.22131	28.7
263.23709	1.9
288.44412	1.7
301.39545	1.5
317.24774	5.8
335.25867	19.9
379.29590	1.7
397.31094	9.7
415.32355	10.0
433.33105	5.9
471.34430	3.6
489.35852	32.3
507.36313	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	507.3533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	19.1
57.07063	6.4
67.05499	25.9
69.07072	46.2
69.79979	9.2
69.80397	8.6
71.04976	6.2
71.08638	5.4
76.76862	2.9
79.05492	15.6
81.07056	100.0
83.08641	16.1
85.02896	8.8
85.06548	15.9
91.05499	7.1
93.07056	32.3
95.08612	74.8
97.06502	6.6
97.10180	7.7
99.08097	9.3
105.07018	6.7
107.08598	30.3
109.10162	30.2
111.08089	13.6
111.11737	16.2
119.08590	6.8
121.10150	19.7
123.11716	37.2
125.13257	4.8
127.03902	4.1
127.11174	4.0
133.10138	4.8
134.21292	3.6
135.11734	18.5
137.13255	30.6
139.11162	5.1
147.11697	4.9
149.13272	32.3
153.12727	22.3
155.14363	6.6
163.14827	7.7
163.50139	3.5
167.14334	7.9
173.15370	4.2
177.69017	3.5
180.83496	3.3
190.29666	3.5
279.26843	11.9
291.26871	22.8
297.27844	6.3
309.27924	37.3
320.08444	3.6
327.28894	7.9
345.30060	7.1
431.52698	3.0
443.25293	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79492	2.0
53.03943	10.0
54.44490	1.9
55.01878	25.3
55.05514	34.2
57.03441	8.3
57.07071	9.4
65.03935	4.2
67.05508	88.6
69.03432	7.6
69.07063	18.1
71.04987	5.6
79.05497	100.0
80.06276	3.2
81.03422	23.0
81.07064	61.5
82.04198	9.3
83.04985	24.7
83.08615	13.6
85.02894	3.2
85.06541	8.3
91.05485	79.1
93.07046	70.6
94.04183	2.5
95.04969	37.1
95.08612	38.7
96.05756	2.9
97.02898	4.8
97.06538	12.8
97.10175	10.7
98.07318	8.1
103.05456	3.7
104.01778	2.0
105.04530	3.2
105.07039	45.2
107.04944	17.9
107.08602	28.5
108.05748	3.2
109.06506	10.6
109.10151	17.1
111.04456	9.2
111.08082	11.0
115.05478	2.6
117.07014	16.8
118.07772	3.3
119.08583	27.4
121.06500	8.7
121.10144	10.0
123.08075	10.5
125.09654	9.8
127.07529	3.4
128.06219	3.6
129.07010	22.5
131.04916	4.0
131.08582	12.0
133.06511	2.6
133.10162	15.1
135.04388	2.7
135.08139	5.5
135.11688	10.2
142.07635	2.4
143.08618	10.9
145.10161	19.1
147.08057	3.8
147.11690	33.9
149.09656	5.5
153.12737	4.0
156.09354	2.0
157.10132	5.2
161.09642	7.0
161.13289	12.5
162.06757	3.2
163.11137	11.4
171.06570	4.2
171.11700	22.2
173.09656	3.2
181.12256	6.3
189.12743	10.1
191.10703	5.6
193.12274	5.0
199.39357	2.3
207.13831	22.6
211.13321	3.9
213.05408	2.8
222.66867	2.3
225.14825	2.5
227.12825	7.2
229.14395	3.7
229.40295	3.3
255.16104	4.8
257.04538	12.2
258.05203	2.9
261.14938	2.4
281.17554	11.2
283.15421	10.0
317.25296	2.3
335.18646	3.7
339.99097	2.5
363.21069	2.4
383.22107	2.5
406.27325	2.3
415.08197	3.3
435.27390	11.7
438.75549	2.2
447.10513	5.1
475.26773	3.3
489.28375	11.2
507.12988	20.8
507.29373	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	506.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
57.03448	0.8
58.59612	0.6
58.63990	0.8
58.75545	0.6
61.02922	1.0
69.03423	3.0
69.83864	1.1
69.84281	2.7
70.06578	1.3
72.08176	1.0
81.03445	0.7
85.02905	11.2
91.05487	6.3
97.02899	3.6
99.04495	0.7
105.83816	0.7
109.02847	1.6
118.11286	0.7
119.04947	19.3
123.04450	1.0
127.03934	2.9
138.89531	0.8
142.94003	0.7
145.04982	3.4
147.04422	100.0
148.04785	0.9
153.01852	2.1
165.05492	47.7
177.05515	0.7
180.08549	0.8
294.07077	0.7
309.09717	0.8
315.50089	0.7
344.13733	1.2
506.16678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.5
57.03426	3.8
57.07050	3.2
61.02922	3.3
67.05500	10.2
69.03430	8.2
69.07060	11.2
70.06593	3.2
71.04988	6.5
71.51971	5.4
73.02895	4.3
79.05493	11.4
81.07061	27.7
83.08624	6.5
84.16160	2.9
85.02901	13.0
85.06550	100.0
91.05477	11.5
93.07054	27.9
95.08611	12.4
97.02886	7.4
97.06527	18.7
105.07005	10.8
107.08615	18.8
109.02900	3.3
109.06509	3.3
109.10134	8.1
111.08050	3.9
112.37407	3.4
119.08589	7.3
121.10135	47.3
123.11740	4.8
127.03967	3.9
131.08583	4.5
133.04947	4.9
133.10127	11.0
134.10477	4.2
135.08008	3.7
137.05997	4.0
137.09607	6.4
149.13239	28.2
153.01814	7.8
154.02045	3.2
159.11684	10.9
165.12708	4.3
167.14301	10.3
177.12785	23.5
177.16455	2.8
195.13805	71.2
213.14902	45.2
467.80127	3.3
507.18179	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	507.2959
Annotation	Mucronine A
Peak:m/z	Relative Intensity
53.03944	8.3
55.01884	10.9
55.05514	27.2
57.03437	4.8
58.37758	2.0
59.05001	6.7
61.02942	2.8
65.03935	4.8
67.05511	48.0
69.03419	3.3
69.07063	12.7
70.57127	6.0
71.01358	4.5
71.04993	19.0
79.05497	63.8
81.02936	2.3
81.03422	46.6
81.07064	54.4
83.04992	16.9
83.08616	15.1
85.02910	5.9
85.06548	8.0
91.05484	57.2
92.91859	2.1
93.07053	50.2
95.04977	23.0
95.08622	27.2
97.02911	6.4
97.06559	13.6
97.10150	11.7
99.04498	2.6
99.08129	2.2
103.05437	3.1
105.03410	2.4
105.07041	35.2
107.04967	27.4
107.08592	23.6
109.02843	2.9
109.06545	8.2
109.10152	10.5
111.04459	7.2
111.08081	10.1
115.05466	4.8
117.07037	12.2
119.08599	31.0
121.02846	3.7
121.06535	10.4
121.10155	29.6
123.04436	6.9
123.08080	6.8
125.02367	3.0
125.06011	4.3
125.09649	11.9
128.06255	2.6
129.07022	14.8
131.04973	4.7
131.08586	23.1
133.06516	8.6
133.10129	17.0
135.04399	17.1
135.08086	7.9
135.11714	10.8
137.06000	5.9
137.09651	3.5
141.06984	3.1
142.07748	3.8
143.08569	6.1
145.06529	5.8
145.10118	15.2
147.08067	8.3
147.11690	16.1
149.09636	20.1
152.16824	2.2
153.09151	4.6
153.12735	6.1
155.08612	3.4
157.10109	11.7
159.11736	3.6
161.06055	3.0
161.09642	5.9
163.11230	14.5
165.12834	4.4
167.10667	3.9
169.10164	3.7
171.10304	2.4
171.11777	6.2
173.09720	5.8
175.11247	11.1
181.12260	8.8
183.11711	2.4
185.13292	3.3
187.11180	3.4
189.09537	2.7
189.11241	9.9
189.12766	4.4
191.10718	8.5
192.77702	2.6
193.12256	36.8
197.09706	2.9
199.11279	3.6
200.54770	2.5
203.14372	3.9
209.11703	13.4
211.11359	3.9
211.13319	18.8
213.12671	3.2
217.12260	2.5
223.13303	4.6
225.14977	8.0
227.12770	15.6
231.13872	5.4
235.13171	3.7
247.13387	4.6
249.14915	12.5
259.15427	4.3
263.16574	2.2
265.14444	2.4
277.14407	4.0
285.14938	2.5
292.07843	2.3
309.22107	2.4
337.21765	5.3
347.20087	2.2
355.22760	8.7
365.21185	14.0
383.22208	32.2
401.23370	18.7
415.24963	8.3
433.26083	8.0
457.25946	9.6
475.26971	30.0
489.28665	8.2
507.23361	3.7
507.29602	100.0
507.37262	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	506.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	1.5
60.04516	1.3
68.05019	0.9
69.03432	4.0
69.07056	0.6
70.06602	1.2
71.04980	1.4
71.31787	1.2
72.04521	0.8
72.08140	1.1
79.05534	0.6
80.05016	1.6
81.03426	3.1
81.07043	0.9
82.06583	0.7
84.04046	1.2
84.04507	13.0
85.02929	1.4
85.06539	0.8
85.85728	0.7
86.09707	1.5
93.07022	1.1
95.08627	1.0
96.04499	17.6
97.02900	5.4
98.06062	9.6
99.04449	1.4
100.14733	0.7
107.04945	0.6
107.08592	0.7
109.02883	6.0
109.07619	0.6
113.50402	0.6
121.10206	0.7
126.05524	23.5
127.03916	2.4
138.05508	100.0
139.05893	0.9
144.06566	21.9
149.09583	0.7
153.01868	1.5
168.06572	22.9
176.68987	0.7
186.07614	20.5
192.00127	0.6
204.08691	22.1
223.13307	1.3
229.05034	1.0
232.40794	0.6
241.14322	1.2
303.05026	15.8
351.24808	0.6
422.97577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	21.5
56.96586	8.3
57.03422	6.7
60.95177	6.3
65.03946	9.4
69.03439	47.3
70.06593	13.7
71.51300	7.2
75.03537	6.1
81.03424	35.5
83.04984	87.4
85.02921	21.3
90.28513	6.3
93.03406	15.1
97.02911	53.9
98.48925	5.6
99.04514	6.3
109.02887	17.7
111.04468	52.0
112.07616	14.1
121.02879	19.8
127.03954	37.6
139.03918	100.0
145.04959	10.3
153.01871	35.7
157.04951	41.8
188.06020	13.4
212.99355	5.9
214.04005	16.5
216.10719	6.0
232.05009	16.1
255.08682	12.2
283.08194	11.0
301.09235	38.4
303.01309	23.9
319.10361	22.3
345.13290	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	505.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97911	0.8
53.03949	6.4
55.01865	3.3
55.05513	16.8
57.03433	1.8
57.07079	38.0
57.32093	0.8
60.94919	0.7
65.03939	1.7
65.44484	0.8
67.05510	28.2
69.03421	1.6
69.07069	15.5
69.18320	8.7
71.04990	1.6
71.08237	1.6
71.08634	27.4
79.05495	15.9
81.03423	75.2
81.07057	31.6
82.00271	0.8
83.04969	4.5
83.08623	28.5
85.06577	1.3
85.10186	13.8
91.05483	18.8
93.07047	12.3
95.04977	20.3
95.08613	27.1
97.02925	2.3
97.06528	2.4
97.10181	10.2
99.08112	1.3
99.11733	1.2
105.07036	11.5
107.04969	3.9
107.08605	6.3
109.06502	2.1
109.10164	10.2
111.04419	1.4
111.08096	6.7
111.11725	2.0
113.54731	0.8
115.05489	1.0
117.07012	2.6
119.08602	9.2
121.06519	1.9
121.10145	6.4
123.08099	1.6
123.11707	5.5
129.07008	8.3
131.08592	7.9
133.06526	2.0
133.10147	3.5
135.11723	2.3
137.09625	1.3
137.13257	1.5
142.07779	3.6
147.08061	1.5
147.11659	5.7
149.09581	3.9
149.13301	2.6
151.14995	1.3
157.10152	6.2
159.11667	1.0
165.12738	1.3
175.11188	9.3
193.12242	28.1
195.13878	2.0
205.12184	0.9
221.22696	1.1
237.22211	2.2
239.23705	8.6
240.88475	0.8
249.14885	5.9
439.09488	0.9
462.23273	1.0
505.38916	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	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.2
55.01865	2.7
55.05268	1.2
55.05515	14.9
57.03425	1.7
57.07079	52.2
65.03938	2.1
67.05508	39.4
69.03441	2.8
69.07070	14.8
71.04994	2.6
71.08633	33.9
79.05495	18.4
81.03422	100.0
81.07060	32.8
83.04983	5.0
83.08623	30.7
85.06552	1.2
85.10184	15.7
91.04900	1.4
91.05484	28.8
93.07046	11.3
95.04976	24.9
95.08611	36.6
97.02917	1.7
97.06520	1.6
97.10162	11.0
99.08105	1.4
99.11720	1.4
105.04510	1.1
105.07035	17.9
107.04948	8.4
107.08603	5.3
109.02848	1.3
109.06551	3.0
109.10162	18.1
111.04446	1.4
111.08089	7.9
111.11722	1.4
115.05452	2.6
116.06260	0.9
117.07054	2.5
119.04984	1.0
119.08595	14.3
121.06524	2.1
121.10143	6.9
123.04456	2.3
123.08127	1.4
123.11702	7.8
127.14809	1.2
128.06233	1.2
129.07011	11.5
131.08574	8.0
133.06499	2.2
133.10143	7.4
135.11763	1.4
136.45811	0.9
137.09674	1.6
137.13284	2.8
139.14851	1.0
142.07784	4.0
145.10172	1.8
147.08089	3.5
147.11688	8.8
149.09615	4.9
149.13248	0.9
151.14838	1.7
157.10124	10.4
157.58327	0.9
161.13196	1.1
163.11186	1.7
165.12816	1.6
165.16499	1.0
175.11206	10.7
175.12608	1.3
179.14365	3.8
183.98677	0.8
193.12251	61.0
221.22612	1.5
231.13904	1.0
239.23717	9.4
249.14993	8.3
277.21689	2.5
313.27469	1.0
315.34933	0.8
319.93198	0.8
322.98187	0.8
411.47766	0.8
505.38971	88.0
506.39609	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	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.6
55.01871	3.1
55.05515	13.8
57.03436	1.4
57.07080	43.1
57.87090	0.6
65.03951	1.9
67.05509	25.8
69.03433	2.0
69.06725	1.2
69.07073	14.3
69.07420	1.2
69.92588	1.5
69.92988	1.0
71.05016	1.4
71.08635	26.6
79.05499	13.9
81.03425	84.0
81.07062	31.1
83.04980	3.0
83.08625	30.4
85.06547	1.4
85.10193	15.0
91.05486	16.1
93.07053	9.2
95.04974	21.5
95.08614	29.1
97.02896	2.5
97.06544	2.1
97.10178	8.8
98.21564	0.9
99.08119	0.8
99.11733	1.3
105.07035	10.6
105.87506	0.7
107.04948	5.4
107.08611	4.1
109.06528	2.1
109.10165	12.8
109.99367	0.6
111.04462	1.5
111.08096	6.6
111.11739	2.7
115.05471	1.4
117.07060	1.0
119.04961	0.8
119.08587	10.1
121.06521	2.6
121.10151	5.5
123.04420	1.1
123.08096	1.6
123.11719	7.0
125.13252	1.7
128.06248	0.9
129.07010	7.6
131.08598	8.0
133.06499	2.9
133.10112	4.0
135.11708	1.4
137.09631	1.0
137.13243	3.2
142.07811	2.9
145.10141	1.0
147.08089	2.3
147.11710	6.5
149.09616	3.7
149.13249	1.5
151.14882	1.0
157.10150	9.1
159.11720	0.8
165.12788	1.2
165.16432	0.9
175.11206	9.5
177.12831	0.8
193.12256	50.3
195.13835	1.6
203.14284	0.7
221.22589	0.7
231.13771	1.3
237.22124	1.4
239.23732	7.6
249.14912	7.4
281.95538	0.7
443.26999	0.7
445.20511	0.9
473.56931	0.6
505.38925	100.0
506.39233	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.5
55.01872	1.9
55.05515	15.3
56.92033	0.8
57.03433	3.4
57.07080	46.6
65.03937	2.7
67.05508	37.3
67.05769	0.5
69.03422	1.6
69.07072	12.7
69.35498	4.6
69.35912	2.6
71.04993	2.4
71.08636	33.7
79.05496	19.8
81.03422	100.0
81.07060	36.2
83.04991	2.0
83.08622	33.2
85.06542	1.0
85.10181	16.9
91.05489	23.5
93.07053	11.4
95.04975	27.4
95.08613	32.3
97.02890	2.3
97.06538	2.2
97.10174	6.6
99.08126	2.1
99.11729	1.5
105.07031	15.0
107.04945	7.6
107.08595	3.8
109.06538	1.9
109.10159	20.2
111.04465	1.2
111.08099	8.8
111.11697	2.1
115.00135	0.9
115.05461	1.8
117.07037	2.5
119.04914	1.1
119.08590	14.8
119.09373	1.5
121.06521	3.2
121.10134	7.7
123.04440	1.2
123.08092	1.1
123.11701	5.2
125.13346	0.9
128.06238	1.3
129.07021	10.1
131.08565	9.2
133.06519	2.8
133.10124	4.8
135.11684	1.3
137.09641	2.4
137.13278	2.8
142.07816	1.9
145.10149	1.8
147.08022	4.8
147.11638	6.1
149.09633	5.5
149.13368	1.0
151.14774	1.3
157.10149	9.8
165.12837	1.1
175.11185	10.0
175.14757	1.0
179.14355	5.4
193.12251	60.8
201.45657	0.9
203.14389	1.2
205.12318	0.9
221.22723	1.2
229.14345	1.3
231.13933	1.3
239.23686	10.0
249.14912	8.2
259.20706	1.2
277.21680	3.9
448.02408	0.9
505.38977	93.8
506.39304	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	505.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.9
55.01885	3.9
55.05513	17.5
57.03426	2.0
57.07080	42.8
61.27954	0.8
65.03957	1.5
67.05508	30.2
67.93233	0.7
69.03428	1.8
69.07069	18.1
69.17061	4.0
69.17495	4.5
70.67429	0.8
71.04988	2.1
71.08237	1.3
71.08635	26.4
77.22321	0.8
79.05066	1.6
79.05502	17.9
81.03423	83.5
81.07062	33.3
82.02393	0.7
83.04991	3.6
83.08623	33.8
85.06590	1.9
85.10186	16.7
91.05488	19.5
93.07045	14.2
95.04981	24.6
95.08611	30.8
97.02899	2.5
97.06572	1.9
97.10182	10.9
105.07035	13.2
107.04957	5.5
107.08607	5.7
109.06538	2.6
109.10155	13.2
111.04451	1.3
111.08084	5.6
111.11734	3.6
115.05480	1.9
117.07029	2.2
119.05016	1.1
119.08580	10.4
119.57464	0.9
121.06518	2.3
121.10165	6.2
123.08117	1.4
123.11721	7.1
125.09657	1.0
128.06299	1.1
129.07021	9.5
131.08585	9.5
133.06511	2.0
133.10103	4.6
135.11687	2.0
137.09602	1.6
137.13297	1.9
142.07803	3.2
147.08083	2.5
147.11685	7.4
149.09584	4.4
149.13243	2.8
157.10141	9.2
159.11729	1.0
165.12798	2.0
165.16356	1.0
175.11177	8.7
177.12878	1.1
185.13251	0.8
193.12251	36.6
205.12263	0.9
237.22179	2.3
239.23746	8.1
249.14919	7.1
296.12317	0.9
327.23596	0.9
505.39005	100.0
506.39615	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	505.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.8
53.03953	6.3
55.01879	1.2
55.05511	13.9
55.37293	0.9
57.03442	2.7
57.07079	50.8
65.03944	2.3
67.05511	33.5
69.03430	2.0
69.07072	11.5
71.05000	2.3
71.06627	0.7
71.08636	35.5
79.05495	14.4
81.03423	100.0
81.07059	35.2
82.23337	0.7
83.04984	3.3
83.08623	33.0
85.06542	1.4
85.10185	20.6
89.03547	0.8
91.05483	23.2
91.06018	1.3
93.07054	11.7
93.87836	0.9
95.04976	27.6
95.08608	31.3
97.02914	2.6
97.06556	1.1
97.10152	7.2
98.20775	3.0
99.08105	1.7
103.05489	0.8
105.04511	0.9
105.07037	15.7
107.04961	6.8
107.08604	5.4
109.06558	2.5
109.10157	16.8
111.04454	1.7
111.08080	7.8
111.11725	1.7
115.05454	1.6
117.07028	1.7
119.04948	1.7
119.08582	13.6
120.80296	0.7
121.06542	2.2
121.10156	6.6
123.04456	1.8
123.08107	2.5
123.11736	8.4
125.09628	1.2
125.13287	1.6
128.06207	0.9
129.07019	9.2
131.08583	8.0
133.06531	3.4
133.10118	4.6
135.11719	2.0
137.09654	1.3
137.13278	3.4
142.07835	2.3
145.10146	0.9
147.08105	4.0
147.11700	7.6
149.09666	3.0
157.10123	9.6
157.80322	0.7
159.11734	0.9
165.12767	1.3
165.16389	1.0
175.11200	10.8
179.14322	3.9
193.12250	66.1
194.12630	1.5
213.12903	0.8
221.22729	1.3
239.23698	10.4
249.14888	7.5
277.21667	2.3
293.39645	0.9
321.78040	0.9
505.38989	98.0
506.39371	2.4
525.50153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.3
55.01870	1.6
55.05267	1.4
55.05512	16.7
55.42842	0.8
57.03440	7.3
57.07072	2.7
59.05007	4.3
60.12819	0.8
65.03934	4.1
67.05508	100.0
68.05830	1.5
69.03422	1.6
69.07072	9.3
70.10856	0.8
71.04996	3.3
71.08643	1.8
71.51599	1.2
72.57569	0.9
79.05499	24.5
81.03409	2.3
81.07063	37.2
83.04987	1.9
83.08622	10.3
85.06538	3.0
91.05489	32.4
93.07051	30.6
93.07642	1.5
95.04961	2.8
95.08617	20.9
97.06530	2.6
97.10181	2.4
99.08102	2.4
103.05511	1.2
105.04602	1.0
105.07036	31.7
106.07444	0.9
107.04981	1.1
107.08591	16.0
109.06541	1.3
109.10163	69.3
111.08081	3.5
111.83388	0.8
115.05436	1.1
117.07043	7.6
119.08597	30.1
121.10168	10.3
123.08015	1.4
123.11692	2.2
125.09651	3.6
129.05537	0.9
129.07021	3.2
131.08582	11.3
133.10143	20.9
135.08109	1.4
135.11710	9.9
137.09627	3.8
143.08577	5.8
145.10133	10.2
146.10448	1.0
147.11702	22.1
149.09662	1.2
149.13258	8.1
151.11194	2.3
155.10664	6.0
157.10120	5.9
159.11723	8.6
161.13271	17.2
163.11176	2.5
163.14801	2.6
171.11726	6.7
173.11757	15.4
173.13297	6.2
175.14816	6.2
179.14369	0.9
185.13278	4.9
187.14830	2.2
189.11209	1.4
194.34920	0.8
199.14861	4.0
201.16467	0.9
213.16478	1.7
215.17989	0.9
227.12733	4.0
229.14366	38.8
231.21170	2.7
241.19514	14.6
243.21046	1.4
259.20584	37.8
260.20871	1.1
261.22177	2.7
276.20645	0.9
277.21558	2.8
315.23242	3.2
318.66702	0.8
333.24228	18.6
391.27835	0.7
391.84766	0.9
395.29565	1.2
401.29163	0.9
413.30453	2.0
427.20016	0.8
464.04230	0.9
487.34283	6.8
505.35089	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97145	3.5
53.03924	4.0
55.01881	7.8
55.05520	19.2
55.05730	3.7
57.03430	3.6
57.07056	8.7
57.24028	3.4
59.51115	4.1
60.86855	3.8
67.05515	40.0
69.03416	13.3
69.07076	42.1
69.48257	27.5
70.06600	5.7
71.04975	9.9
71.08602	4.0
73.02942	5.3
79.05505	18.8
81.03408	9.3
81.07064	98.7
83.04984	3.9
83.08601	9.0
85.02913	34.3
85.06548	21.8
91.05496	19.3
93.07056	38.3
95.04967	9.0
95.08615	100.0
97.02885	9.3
97.06520	7.8
97.10153	6.0
98.21491	6.8
99.08089	11.0
105.07027	28.5
107.08602	38.6
109.02846	5.1
109.06507	9.1
109.10160	41.3
111.08095	29.6
111.11739	6.1
117.06917	3.7
119.08569	22.4
121.06448	4.1
121.10142	26.2
123.08056	7.8
123.11721	33.7
125.09581	5.8
127.03918	5.0
131.08574	4.1
133.10110	22.8
135.11728	25.9
137.09619	6.7
137.13246	12.3
139.11177	12.2
145.04944	4.3
145.10176	9.6
147.11708	23.4
149.13237	12.8
151.11172	9.5
153.01797	11.3
153.12718	8.8
159.11699	9.3
161.13251	12.8
163.11180	4.4
163.14828	9.7
165.12762	6.7
166.87486	4.2
173.13242	7.6
175.14807	5.9
176.69696	3.8
177.16490	6.3
179.14302	4.6
180.29417	3.4
193.15953	4.1
228.82425	4.0
260.58978	3.4
263.23706	5.2
271.24118	4.2
277.25299	9.6
289.25250	20.7
295.26263	15.8
307.23062	5.4
307.26355	67.0
321.08145	4.0
323.06421	3.9
325.27393	49.5
505.20050	8.4
514.53497	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	505.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.4
57.03438	14.5
57.07045	10.1
63.15055	6.9
67.05508	31.8
67.52536	5.8
69.01758	6.3
69.03439	10.5
69.07073	72.8
70.76455	18.5
79.05511	18.6
81.03447	10.8
81.07060	100.0
83.05019	7.8
83.08620	11.5
85.02905	28.2
85.06551	15.7
86.99004	7.2
91.05492	13.8
92.99526	7.3
93.07058	35.7
95.08605	53.2
95.51897	6.1
97.06556	16.3
105.07050	23.1
107.08609	18.6
109.06526	6.9
109.10181	28.9
111.08089	14.2
111.11715	19.3
119.08585	12.7
121.10131	19.5
123.11728	23.9
125.16064	6.6
133.10158	11.2
135.08040	7.7
135.11714	15.6
137.05959	13.0
137.13304	16.9
139.11169	11.7
147.11739	8.7
153.01823	12.7
153.12775	11.2
161.13347	8.2
162.02245	7.9
163.11255	6.6
163.84727	6.2
173.13370	7.0
187.48825	6.9
191.14395	6.0
260.11404	15.6
266.08398	6.1
266.61044	8.3
281.65359	10.3
287.05637	68.2
289.25171	9.9
295.26340	11.8
307.26321	50.4
325.27490	32.0
343.28464	9.5
395.22253	7.8
526.93256	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	11.0
57.07072	9.8
60.04531	8.1
67.05496	5.7
67.53935	1.9
69.07070	13.9
69.34771	11.1
69.35177	2.7
71.08627	7.9
79.05518	2.1
81.03422	2.1
81.07054	40.1
83.08635	9.4
85.10197	2.2
91.05486	2.8
93.07063	8.3
95.08604	4.6
97.10172	6.2
105.07069	1.8
107.08606	5.1
108.08121	4.5
109.10182	2.9
111.08080	8.5
111.11706	2.0
114.05529	1.9
120.08100	3.1
121.06580	1.7
121.10127	2.3
135.11768	1.9
136.07561	2.8
137.05919	3.3
138.09146	63.4
139.07558	25.9
150.09149	5.0
151.07527	2.2
154.08641	55.3
164.07082	61.8
166.08617	2.2
167.07033	6.0
174.15248	1.7
175.07582	1.9
176.10771	2.1
177.09082	2.9
180.10211	11.8
182.08130	14.9
192.10204	10.8
192.93274	1.6
196.09641	4.3
198.11256	7.6
202.12184	2.5
223.90965	1.6
403.35565	2.2
426.37375	7.7
427.35522	4.9
439.62900	2.0
444.38409	100.0
445.37842	2.9
486.32645	3.5
486.39465	53.5
504.39957	5.1
505.38995	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	505.2647
Annotation	Platanionoside G
Peak:m/z	Relative Intensity
53.98238	4.1
55.05517	5.9
67.05505	14.6
69.07061	9.1
69.39413	39.1
71.24561	4.3
74.88416	4.4
81.07065	13.0
83.04983	7.5
83.08631	4.1
89.14790	4.2
93.07021	9.3
95.08601	17.5
101.89415	3.9
105.07014	7.3
107.08585	19.4
109.06549	6.1
109.10159	77.6
109.35756	4.2
119.08569	30.7
121.10142	9.2
123.08041	11.9
123.11613	5.1
133.10104	13.1
135.11711	74.3
137.09592	14.2
149.13251	8.8
151.11127	8.7
151.14856	7.4
151.77922	4.6
153.01727	4.9
175.14835	30.3
193.15924	54.3
211.16928	100.0
232.48674	5.3
241.81184	5.1
307.82553	5.2
518.49152	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2648
Annotation	Foliasalacioside D
Peak:m/z	Relative Intensity
63.89980	13.4
66.54033	14.0
67.05507	20.5
69.07085	29.1
69.70438	88.7
80.50580	15.1
81.03410	16.9
81.07050	41.0
84.04496	20.1
85.02882	23.1
91.05489	21.5
93.07079	38.8
95.08627	41.3
97.02898	15.6
98.20795	17.0
103.05492	15.2
105.07026	51.5
107.08591	41.5
109.06526	17.2
109.10141	98.1
119.08639	36.3
123.08110	21.8
123.11729	33.0
130.04967	15.9
131.04933	40.8
131.08546	15.6
133.10150	62.4
135.11717	100.0
148.07629	17.9
153.01778	35.3
160.30774	14.6
161.09633	36.9
163.11238	17.1
169.98235	15.8
175.14824	34.6
179.10725	20.0
181.72194	15.4
193.15919	52.1
207.10202	20.1
211.16898	97.0
214.18028	22.2
214.83116	15.6
229.93704	16.1
326.19635	17.6
343.22250	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	504.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.3
55.79926	2.4
57.03427	4.0
57.07074	3.5
57.09193	2.0
57.72944	2.5
60.75710	2.3
65.03922	3.0
65.94197	2.3
67.05505	14.6
69.03420	10.9
69.07066	14.6
70.90071	2.6
70.90384	3.6
71.04998	4.1
73.02917	2.6
73.57620	2.5
76.02232	2.9
79.05487	7.4
81.03397	5.0
81.07069	24.9
83.04989	11.0
83.08614	5.2
84.04513	6.1
85.02904	8.0
85.06564	4.7
86.99017	2.5
87.00822	3.4
91.05474	5.7
93.07073	15.3
95.04961	4.3
95.08617	32.3
97.02893	3.3
97.06497	3.7
99.04464	3.3
99.08056	3.4
105.07039	13.8
107.08591	21.1
109.02919	3.0
109.06526	9.1
109.10164	77.1
109.44779	2.5
111.08089	4.0
113.04243	2.8
116.01680	4.7
119.08584	37.2
121.10164	17.2
123.08065	10.9
123.11682	8.7
125.09615	3.8
127.03860	3.7
130.05005	2.5
133.10162	16.2
135.11697	81.8
137.05940	4.4
137.09645	11.6
139.11179	2.5
145.06088	4.0
147.11673	2.9
149.13263	8.8
151.11192	6.4
151.14792	15.0
153.01801	6.3
159.02892	2.5
161.05998	2.4
162.02223	7.5
165.09143	2.4
165.16483	3.1
175.14832	30.3
179.04794	3.1
179.14342	6.6
183.21910	2.4
193.14229	4.7
193.15895	68.2
197.15388	2.6
208.69006	2.7
211.16943	100.0
221.11763	2.7
239.12828	2.3
259.11075	5.3
339.17279	3.5
352.08112	3.7
357.18448	3.7
504.18954	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	503.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.2
55.01884	1.9
55.05515	36.8
57.03430	3.0
57.07079	8.8
65.03938	3.9
67.05509	63.5
68.97488	0.9
69.03423	1.5
69.07076	30.0
70.62899	1.9
70.63271	1.7
71.05002	6.9
71.08639	6.5
77.03931	1.3
79.05499	38.8
81.03423	50.4
81.07062	92.0
83.04986	3.9
83.08621	31.4
85.06548	11.1
85.10177	1.6
91.05486	30.9
93.07050	33.6
95.04973	15.2
95.08612	24.9
97.02897	1.9
97.06526	2.5
97.10184	17.5
99.08110	1.2
105.07034	18.7
107.04951	3.0
107.08593	15.8
109.06532	2.4
109.10164	12.4
111.04443	1.3
111.08083	4.1
111.11734	7.4
115.05463	1.0
116.06222	1.0
117.07030	4.4
119.08589	15.3
121.06504	1.8
121.10149	15.8
123.11715	12.4
125.13318	1.9
129.07014	5.9
131.08578	9.9
133.06483	2.0
133.10138	13.3
135.11694	9.0
137.09593	0.9
139.62993	1.2
143.08554	1.4
145.10135	5.0
147.08067	1.9
147.11690	8.2
149.09657	2.6
149.13237	2.8
151.11168	4.1
153.12859	1.3
157.10155	5.7
159.11766	1.9
161.13254	3.3
163.14816	1.4
165.12750	1.2
169.12294	2.7
171.11714	1.2
173.13278	2.9
175.11214	5.4
175.14934	1.7
185.13329	1.2
187.13315	9.3
187.14818	1.6
193.12248	17.5
199.14986	1.2
213.15999	1.0
237.22047	1.2
243.21188	1.6
249.15013	3.6
261.22241	3.5
275.19986	1.2
317.24872	1.8
375.76288	0.9
393.31540	1.1
411.32629	2.5
429.34079	1.2
485.36218	3.0
503.37360	100.0
504.37778	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	503.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.5
55.01865	2.6
55.05514	45.9
55.56157	0.6
57.03441	2.4
57.07077	16.4
57.43221	1.0
61.40511	0.7
65.03934	1.2
67.05512	18.1
69.03432	2.9
69.07073	47.9
71.04995	1.5
71.08640	11.3
79.05495	16.8
80.47792	0.6
80.48824	0.8
81.03421	100.0
81.07056	13.9
83.04977	3.2
83.08622	56.7
85.06527	0.8
85.10197	3.6
91.05488	20.9
93.07044	7.8
95.04973	25.6
95.08620	7.4
97.02891	1.6
97.06516	1.1
97.10172	30.9
105.07034	14.3
105.07687	1.2
107.04965	6.6
107.08600	4.1
109.06506	2.7
109.10190	3.0
111.04446	2.1
111.08102	10.6
111.11723	13.1
113.05954	0.7
115.05466	1.8
117.07014	2.5
119.04990	1.2
119.08591	12.3
121.06494	3.7
121.10174	7.1
123.08065	1.3
123.11691	1.5
125.09583	0.8
125.13285	3.3
129.07021	11.2
131.08566	7.5
133.06497	3.4
133.10133	4.9
135.11696	1.7
137.09627	1.7
139.14908	1.2
142.07745	3.6
145.10168	2.3
147.08034	3.6
147.11696	7.8
149.09613	5.9
150.12985	0.8
150.63029	0.7
154.98886	0.8
155.08557	1.4
157.10138	10.2
165.12767	2.2
168.33723	0.7
175.11182	10.4
185.13260	1.0
189.31818	0.8
193.12253	41.8
203.14174	1.0
213.12703	0.9
237.22200	2.6
249.14891	9.0
372.87238	0.7
397.80414	0.7
503.37366	97.8
504.37631	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01878	2.0
57.03433	3.0
61.02919	2.9
61.54138	0.7
65.61942	0.8
67.05511	1.6
68.28671	0.8
69.03436	17.2
69.57953	5.5
70.06583	1.1
71.05003	5.9
73.02905	1.2
79.92793	0.9
81.03426	19.4
81.22318	0.7
84.08164	1.0
85.02914	19.1
87.04470	1.5
95.08614	0.9
97.02905	6.7
98.97549	0.9
99.04466	8.2
109.02881	2.5
109.10165	1.0
110.10512	1.1
117.05498	1.4
127.03920	4.3
133.07625	1.9
134.06067	1.2
136.07593	1.0
137.05951	1.1
145.04985	2.0
147.04405	1.8
153.01840	5.5
154.02132	1.4
161.07117	6.1
163.08690	4.3
166.15471	0.8
179.08215	1.2
189.06583	5.7
191.08195	6.0
207.07671	100.0
208.07974	1.4
221.09050	0.9
229.09642	0.9
247.10898	1.1
249.08684	1.2
271.10452	0.9
282.29034	1.1
297.15140	1.3
299.06134	1.6
305.11438	3.4
314.16241	1.0
323.12411	35.1
332.17120	1.0
333.17398	1.3
341.13480	84.7
342.13745	1.2
417.49432	1.0
457.41583	0.9
503.21161	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	503.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
55.01875	6.4
55.05517	20.3
57.03435	3.7
57.07075	1.9
59.04995	4.3
65.03938	3.2
67.05510	100.0
68.05857	1.1
69.03435	1.7
69.07074	14.4
69.21335	10.8
71.04993	3.9
79.05495	29.8
81.03410	3.3
81.07066	42.7
83.04985	4.1
83.08624	12.3
85.06532	2.9
91.05486	33.0
93.07048	23.6
95.01333	1.4
95.04985	5.5
95.08616	18.8
97.06545	7.8
97.10174	3.4
98.20712	1.8
99.08149	1.1
101.35800	1.0
103.05473	1.6
105.04528	1.7
105.07037	34.6
107.04990	5.8
107.08608	21.1
109.06541	6.2
109.10164	53.9
109.79737	1.1
111.08102	4.9
113.09673	1.7
115.05446	1.7
117.07039	11.1
118.41397	0.9
119.08595	29.0
121.06523	3.4
121.10148	6.5
123.08080	3.7
123.11725	2.4
125.09644	3.3
128.06241	1.5
129.07031	4.3
131.08577	17.2
133.10139	18.9
135.08078	4.4
135.11726	4.7
137.09633	4.0
141.07022	1.7
143.08601	4.7
145.06488	1.3
145.10118	18.2
145.11171	1.7
147.08069	1.6
147.11688	11.5
149.09630	8.7
149.13223	1.3
155.08595	3.2
155.10699	3.9
157.10162	6.2
159.11708	11.3
161.09653	2.5
161.13284	3.3
163.11229	4.6
167.08600	1.2
169.10216	2.9
171.11700	4.6
173.09727	1.9
173.11789	12.1
173.13322	5.4
177.12836	3.2
179.14331	3.6
183.11687	3.1
185.13347	1.4
187.11258	2.0
187.14943	1.6
189.11244	1.5
189.12820	1.5
197.13303	2.7
211.13322	2.1
227.12762	1.6
229.14401	8.9
229.19585	2.7
239.18048	4.7
247.20602	2.4
257.19037	16.0
259.20740	1.5
266.56210	1.1
275.20093	42.7
293.21194	2.6
299.06201	1.4
331.22696	3.6
411.29175	2.2
429.29901	1.6
485.32706	4.8
503.33792	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
53.44966	0.9
55.01883	1.3
55.05513	1.3
55.88457	1.0
57.03443	9.9
59.05016	1.9
60.04517	1.2
60.71351	1.0
61.02927	1.6
65.03928	1.1
67.05512	2.1
69.03432	34.9
70.06596	5.1
73.02919	3.2
74.80836	1.1
79.05484	2.5
81.03421	1.8
81.07056	4.6
84.08157	1.5
84.99363	1.0
85.02431	2.2
85.02911	26.5
87.04475	18.1
91.05480	4.5
93.07069	2.0
94.77325	1.0
95.04984	1.2
95.08616	2.1
97.02896	33.9
99.04459	3.2
105.07029	4.3
107.08621	2.0
109.02855	2.5
110.10515	1.1
115.03944	37.0
119.08590	2.4
121.10169	1.5
127.03925	4.9
129.07005	1.9
131.08574	39.3
133.04982	36.8
133.05986	2.0
133.10114	1.1
136.07594	3.2
143.08572	2.2
145.04996	6.0
145.10124	3.6
150.07576	5.7
153.22624	1.1
157.10126	1.2
159.11688	1.5
163.06046	2.0
171.11737	5.5
173.13275	100.0
181.09691	1.7
188.03525	1.2
189.12695	2.7
191.08356	1.1
241.07106	2.2
259.08243	2.4
276.42822	1.1
277.09192	2.4
295.10104	2.6
305.17599	3.8
315.07837	1.1
403.73776	1.2
471.75787	1.3
502.17291	1.9
502.29355	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66844	1.4
53.64071	1.4
55.05518	13.5
55.98700	1.2
57.03444	15.5
57.07079	40.9
59.05006	3.6
59.40755	1.3
64.63896	1.2
67.05509	97.8
69.07078	11.3
71.04990	2.7
71.08633	26.8
73.04743	2.1
73.72710	1.4
78.18725	1.3
79.05497	2.2
81.07063	26.8
83.04971	1.4
83.08627	14.1
85.06554	1.8
85.10187	13.4
89.06052	2.6
91.05475	4.2
93.07045	3.2
93.29744	1.4
95.04993	1.4
95.08618	19.7
96.69368	1.7
97.10175	3.9
98.20749	4.3
107.08582	4.5
109.10165	84.0
111.08084	3.3
119.08600	5.1
123.11697	1.6
124.77590	1.4
137.09601	3.1
137.13243	1.4
142.21869	1.3
155.10680	5.9
167.05556	2.4
173.11752	25.1
188.11975	1.6
219.77744	1.5
229.14375	100.0
239.23726	2.5
269.08936	1.4
299.06174	2.4
313.27380	97.5
467.37442	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
53.06744	2.1
55.01866	8.6
56.96569	3.2
57.03444	11.7
61.02922	8.7
69.03436	45.4
71.04972	3.3
71.27614	5.9
73.02917	11.8
81.03420	11.6
85.02908	100.0
86.03274	2.6
87.04476	4.9
88.63708	2.1
91.03960	4.2
95.00665	2.2
97.02900	38.6
98.03258	2.6
98.97605	11.7
99.04446	5.8
101.00903	5.4
101.03442	3.5
109.02898	7.6
110.97576	4.1
112.99088	2.4
113.00865	3.3
116.98647	5.3
119.01908	10.6
121.02826	3.5
126.73106	2.6
127.03923	37.5
129.03973	3.3
131.01888	4.9
133.03452	4.8
143.01897	15.6
144.01860	2.9
144.03358	2.5
145.01643	3.1
145.03595	4.0
145.04970	24.7
147.05046	6.0
152.05000	5.7
153.01842	9.1
153.03929	2.7
155.01846	12.0
157.03477	5.7
158.99661	7.8
159.05011	5.9
161.03033	11.5
161.04213	4.4
161.05553	78.7
161.55638	11.0
162.62987	2.5
167.01997	4.1
167.05550	4.1
170.06155	26.7
170.56161	4.4
170.99738	3.5
171.05034	3.3
173.02948	13.5
177.00632	2.7
177.06036	12.0
179.01991	3.9
183.05077	10.9
185.03009	13.2
189.00674	2.6
191.03932	8.1
192.05554	4.6
193.08347	2.3
197.02960	5.2
200.04428	10.3
201.00729	5.4
201.06108	3.4
203.04036	11.7
205.03838	3.1
206.07080	2.5
219.01764	6.4
219.07126	24.1
220.07182	2.8
221.05061	3.0
231.07175	9.1
232.07437	2.9
233.05132	2.6
237.02921	3.2
239.04164	4.9
242.08203	35.6
242.58289	7.3
243.01828	2.9
245.05055	29.6
246.05325	6.6
247.04758	3.9
251.08725	73.4
251.58823	14.2
252.06744	5.6
257.05148	5.4
261.02762	5.6
261.08228	3.9
263.06241	5.8
264.07669	9.9
272.06595	5.8
273.08264	15.4
273.58310	4.8
275.06229	4.5
279.03772	3.5
281.07251	13.9
281.57260	6.6
305.07178	2.6
321.10364	54.7
322.10510	9.5
323.06314	3.8
332.11255	6.9
365.09213	5.8
371.08304	2.4
381.12448	5.9
425.11304	6.2
429.32465	2.4
503.15390	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	502.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.5
51.02377	1.3
53.03944	3.2
53.52279	1.6
55.05526	2.0
59.05000	3.2
66.04174	1.3
67.05511	2.8
69.03432	6.1
69.07096	3.4
70.06602	2.5
79.01871	1.6
79.05503	23.4
81.03427	7.9
81.07070	5.6
84.04520	2.6
84.08150	2.7
84.09110	1.4
85.02909	8.3
86.09713	2.2
91.05464	6.7
93.07049	41.8
93.99597	1.4
94.07394	1.2
94.22849	1.3
95.04977	4.1
95.08616	2.6
97.02903	5.2
98.21614	2.9
99.04410	2.1
105.07053	2.7
107.01323	1.7
107.08603	26.8
109.02892	6.2
109.10183	2.4
114.77415	1.5
115.11282	1.5
119.08616	2.2
121.10148	1.8
121.94905	1.4
125.02338	2.1
127.03967	9.2
133.10139	2.5
135.08099	3.2
135.11707	82.3
136.12154	1.7
143.03450	3.1
153.01843	100.0
153.02872	4.8
161.09586	1.6
163.03995	2.6
170.03357	1.6
171.02881	11.5
175.11226	1.7
177.12796	1.7
254.12233	1.5
297.06067	6.1
315.07065	19.1
458.24442	2.7
484.23022	1.8
502.23080	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	502.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.5
51.02377	1.3
53.03944	3.2
53.52279	1.6
55.05526	2.0
59.05000	3.2
66.04174	1.3
67.05511	2.8
69.03432	6.1
69.07096	3.4
70.06602	2.5
79.01871	1.6
79.05503	23.4
81.03427	7.9
81.07070	5.6
84.04520	2.6
84.08150	2.7
84.09110	1.4
85.02909	8.3
86.09713	2.2
91.05464	6.7
93.07049	41.8
93.99597	1.4
94.07394	1.2
94.22849	1.3
95.04977	4.1
95.08616	2.6
97.02903	5.2
98.21614	2.9
99.04410	2.1
105.07053	2.7
107.01323	1.7
107.08603	26.8
109.02892	6.2
109.10183	2.4
114.77415	1.5
115.11282	1.5
119.08616	2.2
121.10148	1.8
121.94905	1.4
125.02338	2.1
127.03967	9.2
133.10139	2.5
135.08099	3.2
135.11707	82.3
136.12154	1.7
143.03450	3.1
153.01843	100.0
153.02872	4.8
161.09586	1.6
163.03995	2.6
170.03357	1.6
171.02881	11.5
175.11226	1.7
177.12796	1.7
254.12233	1.5
297.06067	6.1
315.07065	19.1
458.24442	2.7
484.23022	1.8
502.23080	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	502.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01870	2.8
55.05510	0.6
57.03198	0.5
57.03439	6.1
57.13816	0.4
59.04985	0.6
61.02927	2.3
67.05492	0.8
69.03435	7.2
69.07056	0.4
71.01345	1.3
71.04985	0.9
71.10685	1.1
72.04501	0.7
73.02922	7.8
79.05486	0.8
81.03402	1.6
81.07037	1.9
83.04968	0.6
85.02908	20.7
87.04441	1.3
91.03944	0.5
91.05482	2.3
93.07032	2.1
95.04974	0.6
95.08592	0.5
97.02894	11.1
97.06516	0.6
99.04447	1.3
101.02370	0.5
103.03948	0.9
105.07040	2.2
107.04972	0.5
107.08601	1.0
109.02858	2.0
109.06551	0.4
109.10153	0.7
115.03931	6.1
117.07024	1.0
117.30235	0.4
119.08540	1.1
121.06525	2.3
123.05668	0.4
127.03923	6.3
129.05553	0.5
129.07001	0.9
131.08571	34.4
132.06540	0.9
133.04970	6.7
133.10136	0.5
135.11681	1.3
143.08559	1.1
144.09390	0.5
145.04971	8.6
145.06200	0.6
145.10088	2.6
149.09555	0.5
150.07602	1.5
153.01900	0.9
157.10185	0.8
159.11746	0.5
163.06046	2.9
163.11194	0.9
171.11760	2.0
173.13266	100.0
174.13614	1.7
175.11185	2.9
183.11743	0.7
185.13266	1.2
189.12726	0.7
201.16472	0.5
205.12228	2.0
208.81310	0.4
219.13853	0.4
223.05989	1.0
234.99014	0.5
235.89258	0.5
241.07217	1.1
259.08270	1.1
277.09015	0.5
287.13126	0.4
305.17737	0.4
317.17554	0.6
335.18515	0.4
469.28000	0.5
487.21707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81780	0.8
69.03423	1.8
69.61138	5.3
70.06586	0.9
79.01853	2.7
81.03423	1.6
85.02897	3.5
97.02914	1.7
99.03078	0.7
107.01312	0.9
109.02907	1.1
111.41067	0.8
115.41130	0.8
125.02354	2.3
127.03853	1.4
136.07648	0.8
137.05975	2.3
138.06305	2.1
143.03394	3.9
153.01846	100.0
153.02913	3.9
154.02185	1.4
191.03404	1.5
209.04456	2.3
217.31538	0.9
322.09293	1.0
323.04044	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	502.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45594	1.7
53.94188	2.1
55.01866	3.4
55.05521	3.5
59.92844	1.6
67.05515	10.6
67.76254	2.0
69.03424	5.1
69.07050	5.1
70.06577	3.6
70.96465	2.0
70.96791	3.7
73.02915	2.0
74.00658	3.0
76.03976	4.2
79.01872	2.3
79.05508	9.2
81.03400	6.5
81.07050	10.1
83.04984	2.1
83.08628	2.2
83.33920	1.8
84.04495	7.6
84.08150	3.7
85.02895	5.5
85.04012	4.1
86.09699	3.1
91.05474	13.2
92.01691	3.1
93.07053	32.3
95.04958	2.0
95.08598	8.3
97.02893	10.5
97.06530	2.9
99.04451	2.2
99.05576	5.9
103.67758	1.9
105.07036	6.1
107.08598	35.9
109.02877	8.2
109.06534	3.7
109.10136	6.8
111.08100	2.7
112.03966	2.4
114.05553	2.7
115.14835	1.9
116.07053	1.8
119.08544	3.1
121.10155	2.5
123.11677	2.0
125.02328	3.5
127.03912	7.2
128.07204	1.7
130.04997	17.1
131.08475	1.9
133.10120	4.8
134.10440	2.3
135.11696	21.2
137.05951	2.1
137.09633	2.7
142.03288	2.2
145.05060	1.7
145.06108	6.1
145.10149	2.8
151.14839	1.8
153.01840	100.0
153.02901	4.1
153.06596	2.1
154.02188	2.4
159.11722	2.7
161.13176	3.1
162.05518	3.5
163.05852	2.1
164.84850	1.9
171.02882	10.2
177.03333	23.9
177.04791	2.2
177.05521	2.9
178.01736	2.6
179.14404	2.3
195.04341	6.2
199.07120	2.2
218.07823	1.7
245.00739	2.9
259.11078	3.6
288.06592	6.0
297.06052	6.7
306.07538	7.1
315.07156	16.8
399.18124	1.9
413.06720	1.8
502.23376	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	502.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.05517	2.0
67.05499	1.9
69.03428	3.9
69.07061	1.4
70.06605	1.8
71.51730	1.9
76.16814	0.9
76.20190	1.0
79.01869	3.3
79.05483	4.5
81.03426	5.8
81.07072	4.9
85.02902	5.2
86.09668	1.1
87.10059	0.9
88.63938	0.9
91.05486	9.5
93.07052	25.5
93.07637	1.6
95.04956	1.3
95.08628	1.7
97.02882	5.2
97.06532	2.0
105.07021	3.7
107.01345	1.2
107.08599	28.6
108.08932	1.0
109.02891	4.4
109.10162	2.4
125.02373	3.7
126.76923	0.8
127.03934	7.8
133.10167	1.5
135.11700	20.2
139.11205	1.0
143.03400	4.6
153.01840	100.0
153.02879	4.6
153.12749	1.2
162.05507	4.9
163.05846	1.6
171.02907	10.1
177.05354	1.0
178.05821	1.6
226.95215	1.0
297.06082	6.9
309.68933	1.0
315.07083	13.6
323.41687	1.0
350.07193	1.0
386.58591	1.0
409.56088	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05267	2.3
55.05513	25.9
57.03443	13.9
57.07080	12.3
59.04990	3.1
63.87227	1.6
65.03941	3.6
67.05511	81.7
69.07073	27.7
69.92343	8.7
71.05003	3.1
71.08636	7.9
79.05490	3.6
80.15312	1.7
81.07056	18.4
83.08620	28.6
84.95368	1.7
85.06548	2.8
85.10195	3.0
91.05465	5.9
93.07047	6.1
95.08611	12.4
97.06529	2.6
97.10191	19.1
105.07029	2.0
107.08582	3.9
109.10165	76.7
110.10567	1.6
111.08083	4.8
111.11718	6.5
111.59492	1.6
119.08580	7.5
120.08871	1.6
121.10134	3.8
134.20689	1.5
135.11722	4.0
137.09637	4.3
155.10661	6.1
173.11748	21.9
189.16422	3.2
229.14375	100.0
265.50156	1.8
283.26141	2.1
311.25836	72.3
312.26306	2.7
465.29147	3.0
465.35825	58.3
482.37000	6.1
500.37967	9.9
500.45731	3.8
520.23035	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	501.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.24519	0.4
57.02775	0.4
62.57653	0.4
65.03937	0.8
69.03426	1.8
71.50478	0.6
81.03418	1.6
85.02893	1.7
91.04971	0.8
91.05483	7.6
97.02891	1.2
98.97615	0.7
108.08108	0.6
109.02885	1.6
117.09485	0.4
119.04945	18.2
124.76456	0.5
127.03922	1.7
137.06027	0.7
145.04977	0.6
147.04417	100.0
148.04782	0.5
153.01831	2.6
163.03879	0.4
165.05537	0.5
191.03441	0.5
203.03441	1.7
219.03127	0.5
221.00804	2.8
231.02899	1.2
247.02344	0.6
259.02457	1.2
266.51862	0.4
275.01883	1.7
277.03360	3.0
291.08777	0.7
293.03156	0.5
303.01285	1.0
303.13373	0.9
309.09753	0.8
321.02402	1.7
339.03369	1.0
483.07486	2.0
487.43283	0.6
501.16058	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	500.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33923	0.4
53.03954	0.4
55.72559	0.4
59.55763	0.4
62.12988	0.4
69.03419	1.6
69.90357	0.5
70.85476	1.3
79.05507	0.5
81.03425	2.4
85.02915	2.2
94.04182	1.6
95.04923	0.5
97.02892	0.8
103.05495	0.5
107.04926	0.5
108.08128	0.6
109.02904	1.2
121.06547	0.6
122.03654	3.3
122.06023	1.4
127.03934	1.2
127.32531	0.5
137.05991	100.0
138.06342	0.5
147.04405	0.6
149.06010	0.6
150.05449	0.8
152.04120	0.4
152.07114	0.9
153.01822	1.9
153.07019	1.2
158.29929	0.4
162.05531	1.2
163.03938	0.6
168.06590	0.6
179.07033	1.4
181.06519	1.5
213.08992	1.1
216.84279	0.5
221.00842	0.6
235.02469	0.7
236.02686	0.6
241.08714	0.6
253.08652	0.6
273.11197	4.7
275.01993	0.6
285.11237	1.1
303.12164	1.3
320.01175	0.6
320.11267	0.6
337.02051	0.6
338.02356	1.6
338.12305	2.1
383.64349	0.5
389.58148	0.5
464.05362	1.0
478.33105	0.5
482.06445	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3784
Annotation	Hypocrellol E
Peak:m/z	Relative Intensity
55.05511	1.7
67.05515	3.5
69.03394	0.9
69.07074	7.1
69.23708	6.7
79.05501	2.0
81.07063	6.5
83.08625	1.8
91.05479	3.1
93.07047	5.3
95.04959	1.2
95.08623	12.6
104.06329	0.7
105.07029	6.5
107.08607	8.5
109.06523	2.5
109.10172	6.6
111.11696	1.7
119.08593	20.9
121.06467	1.1
121.10127	5.2
123.08069	2.1
123.11707	2.4
131.08554	1.6
133.10136	22.8
135.08070	1.9
135.11694	5.9
137.13254	1.8
143.08611	1.2
145.10153	4.9
147.11729	5.4
149.09634	1.3
149.13242	2.6
157.10149	1.6
159.11676	2.5
160.12558	1.0
161.09653	2.9
161.13277	4.7
163.11185	1.0
163.14803	0.8
171.11760	1.3
173.13232	5.5
175.14838	100.0
176.15167	0.7
182.92250	0.7
185.13284	1.3
187.11191	0.7
187.14803	3.8
189.12822	1.1
189.16429	4.9
191.18002	1.5
199.14896	1.2
201.16515	1.1
203.14259	1.2
203.17984	1.0
211.29265	0.7
213.16539	0.8
215.14346	2.6
215.17917	1.7
217.15894	2.1
229.19443	0.9
231.17439	1.6
233.19019	1.3
255.21242	0.9
259.20599	1.2
265.19556	1.8
273.22153	1.0
283.20572	1.5
299.23734	4.3
313.25165	1.3
314.34207	0.7
327.26804	2.6
361.28815	0.8
403.33655	3.9
421.34683	68.3
422.34741	0.9
439.35730	9.6
481.36813	15.7
499.37842	8.0
523.04999	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10094	2.0
55.05499	5.4
57.07058	2.6
58.50004	2.4
67.05488	7.8
69.07053	9.2
69.52885	5.6
69.53278	16.2
79.05469	3.0
79.61560	2.4
80.49442	2.2
80.49899	2.4
81.07043	11.1
83.08635	3.8
91.05492	3.3
93.07023	9.9
95.08606	20.1
105.07015	9.5
107.08615	15.1
109.10181	12.5
119.08574	10.3
121.06489	4.5
121.10123	10.0
123.11670	4.4
131.08632	2.8
133.10150	18.7
135.11673	9.4
136.08815	3.9
137.09634	6.3
137.13243	3.2
144.95082	2.6
145.10130	8.9
147.11671	7.3
149.13252	4.5
157.10109	4.8
159.11690	5.4
163.14964	2.7
164.08339	14.3
165.09116	62.7
173.09529	2.8
173.13239	6.9
175.14818	5.1
185.13193	3.0
187.14807	5.3
189.16383	8.7
191.17989	4.0
199.14751	4.0
203.17845	3.2
215.14328	5.5
216.51190	2.6
217.15910	6.0
219.17616	2.5
225.29811	2.3
376.89853	2.4
403.33432	3.3
421.34668	100.0
430.38037	19.1
439.35590	24.8
454.77258	2.3
499.37750	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	500.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76348	0.6
53.03952	1.4
67.05508	2.1
67.18006	0.6
69.03429	1.1
69.41750	4.2
70.06592	1.3
70.11769	0.6
79.05495	1.5
81.03422	1.6
84.08167	0.9
85.02914	1.8
87.22601	0.6
93.05813	1.1
94.06568	10.0
95.04963	0.9
97.02910	1.8
98.02752	0.6
98.20763	1.2
106.39241	0.7
109.02887	1.0
112.07611	0.6
122.06037	87.6
127.03914	1.0
129.10170	0.7
136.68275	0.6
140.07066	2.4
144.01512	0.7
147.04425	0.8
150.05516	69.2
152.07100	0.7
153.01851	7.5
168.06570	100.0
169.06920	1.2
186.07628	25.9
214.81111	0.6
277.03485	0.7
278.13107	0.6
294.85095	0.6
315.07214	0.6
320.07199	0.6
432.38336	0.8
472.41388	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.4
55.01856	6.1
55.05272	2.9
55.05513	37.2
55.43041	2.5
57.03441	32.3
57.07070	6.5
61.02652	4.3
61.02930	54.7
65.03933	3.8
67.05508	91.5
69.03433	38.0
69.07072	37.3
70.32888	7.3
71.04974	5.8
71.08639	6.1
73.02919	27.4
79.05499	35.4
81.03422	21.9
81.07059	100.0
83.04974	8.0
83.08619	24.8
85.02911	59.2
85.06532	3.0
87.04478	5.9
91.03966	36.2
91.05493	24.9
93.07045	40.0
95.04963	8.7
95.08609	68.2
97.02898	51.5
97.06536	6.7
97.10161	15.0
99.04448	10.5
99.08099	6.1
101.02378	11.7
103.03944	9.6
105.07031	24.2
107.04948	4.2
107.08604	18.6
107.93202	2.5
109.02869	9.2
109.06522	4.8
109.10163	29.7
111.00143	2.7
111.04440	2.8
111.08133	3.5
111.11755	2.6
112.46297	2.4
115.03916	5.8
117.05471	4.6
117.07027	8.0
119.08617	16.2
121.10148	20.7
123.08088	4.6
123.11700	14.6
125.09603	3.6
127.03921	24.5
129.07007	4.8
131.08531	13.2
133.10146	15.3
135.11696	10.2
137.13277	8.1
139.24538	2.5
143.08562	7.0
145.04964	8.7
145.06476	3.2
145.10114	10.6
147.08058	2.8
147.11664	10.7
149.13257	9.2
153.12671	2.8
157.10110	5.7
159.11670	4.5
161.13268	10.7
163.14836	4.4
167.14299	2.7
171.08051	2.9
171.11688	4.1
173.13301	4.0
175.14818	9.6
183.06569	3.0
183.11729	3.8
185.13394	3.3
185.32591	2.4
187.14789	3.8
189.16377	3.3
195.13777	3.2
201.07581	3.8
229.15924	2.8
232.36655	2.6
233.15189	2.5
234.31810	3.2
245.22707	12.5
263.23734	25.0
273.18469	2.6
303.23004	3.3
305.24973	2.9
337.23264	4.5
337.27365	88.2
338.27838	3.1
365.26938	4.7
371.25809	6.6
389.26813	3.4
407.28970	3.6
445.29562	3.0
481.31775	5.7
499.33020	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	499.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
55.01875	6.1
55.05517	31.6
57.03444	34.3
57.07075	9.9
57.76888	2.8
60.08163	8.3
61.02928	72.0
65.03938	3.3
67.05511	79.4
68.07966	2.7
69.03429	44.3
69.07069	41.3
70.22332	2.4
71.01358	7.9
71.04990	4.4
71.08640	5.4
71.51079	2.6
73.02931	31.5
78.18909	2.7
79.05498	37.7
79.33692	2.9
81.03429	29.5
81.07063	99.0
83.04976	4.4
83.08628	23.2
85.02909	75.7
86.09711	18.3
87.04501	3.1
87.10051	8.0
91.03960	48.4
91.05481	30.2
93.07043	32.7
95.04959	5.3
95.08607	79.1
97.02290	4.4
97.02900	58.8
97.06540	9.6
97.10184	11.8
99.04452	15.8
101.02378	15.1
103.03963	8.5
104.10745	29.0
105.07038	20.2
105.11070	17.2
106.11211	2.5
107.08622	17.3
109.02874	12.1
109.06486	3.4
109.10152	31.9
111.08064	3.7
111.11708	3.2
115.03940	4.4
115.05350	2.4
117.05466	3.5
117.07029	5.0
119.08590	17.5
121.10087	15.0
121.43275	2.8
123.11723	12.3
124.99973	5.4
127.00412	4.7
127.03925	28.9
127.60558	2.6
129.05524	3.0
129.06996	4.4
131.08580	5.7
133.10147	14.1
135.11708	13.5
137.13260	4.6
143.08597	5.2
145.04976	12.3
145.06468	3.7
145.10141	4.7
147.11688	11.8
149.13251	8.3
151.14813	4.2
155.07083	3.1
157.10112	4.2
159.11798	3.7
161.13277	10.8
163.14822	6.9
175.14856	5.6
175.62833	2.5
177.16394	3.1
179.14310	2.8
183.06575	4.8
184.07330	17.2
185.07707	16.1
186.07777	16.2
187.08038	4.7
189.31317	2.7
204.86200	2.5
222.75121	2.8
245.22705	12.3
263.23730	25.0
288.33997	2.6
303.23343	2.8
319.36414	2.6
337.27396	100.0
365.26758	3.5
481.32343	6.1
499.33862	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
57.03435	2.2
65.03927	3.5
67.05491	1.6
69.03413	4.2
70.06586	2.7
71.04982	1.3
71.49985	1.4
71.50341	1.2
79.05473	1.7
81.03403	4.4
81.07050	2.6
83.04982	1.4
84.08138	2.1
85.02914	6.1
86.84611	1.3
92.05007	4.3
93.07047	2.0
95.08611	1.6
96.08144	3.7
97.02879	2.2
97.06532	1.5
105.07014	2.1
106.06552	2.1
107.04894	1.4
107.08549	1.5
108.08082	1.8
109.02851	1.7
110.07180	1.8
119.08540	1.7
120.04456	1.2
122.06052	3.0
124.07587	5.1
126.09169	9.4
127.03913	2.7
131.08531	1.6
138.09108	3.8
138.93161	1.2
139.03941	1.5
148.03935	3.8
150.05490	3.5
152.07074	30.6
153.01839	12.7
158.05917	1.7
163.03841	2.3
166.05016	55.9
176.03404	7.9
182.04526	9.9
194.04587	6.0
200.10780	2.9
212.09413	2.8
217.06734	3.3
227.11737	4.3
228.10239	2.9
229.13409	1.5
233.09077	2.6
240.08917	2.3
253.09763	2.1
254.08066	1.5
255.11334	4.9
257.09192	1.7
259.07535	3.9
270.10141	1.9
271.10797	11.4
272.09247	1.7
273.12375	2.1
275.07391	3.5
283.10800	44.6
287.07318	2.2
289.11917	7.9
293.08304	5.5
301.11847	36.9
301.19492	1.5
319.12897	100.0
320.13330	1.6
337.07346	4.1
337.13480	1.6
362.89084	1.3
365.79633	1.4
379.08414	14.1
391.08203	1.3
471.65384	1.4
481.18082	1.7
499.16388	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	499.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	5.9
59.18319	1.0
69.03426	2.8
69.37633	0.8
70.06591	1.5
73.02900	1.2
81.03429	1.8
82.99872	3.6
84.96021	2.7
85.02903	5.7
91.72761	1.0
94.99846	1.1
97.02907	2.9
98.20736	2.2
98.97594	23.6
101.00881	20.8
103.02461	3.5
107.83283	0.9
109.02879	0.9
110.07178	1.0
110.97580	8.2
113.00849	7.6
115.02402	1.7
116.98627	8.3
119.01927	23.4
127.02431	15.3
127.03900	2.2
128.98618	7.9
129.00308	1.0
129.03998	2.3
131.01913	20.5
132.02037	1.1
133.03482	2.1
134.99634	2.2
138.97122	1.0
139.02425	4.1
140.98566	2.4
141.42737	0.9
142.03554	1.0
143.00157	3.7
143.01906	27.8
144.02032	1.2
145.03473	47.3
146.99673	2.6
147.01376	3.0
149.02942	1.8
152.98634	1.6
153.01884	2.5
155.01910	35.3
156.02066	1.1
156.98074	2.2
157.01633	1.2
157.01942	1.1
157.03465	20.7
158.99680	7.9
159.05096	0.9
161.01445	1.9
161.02954	22.9
162.03352	1.0
163.04523	2.8
167.01910	13.5
169.03378	6.3
170.99686	6.6
171.01407	9.7
171.05028	4.3
173.01433	1.4
173.02977	42.1
174.03023	1.2
174.99164	8.2
175.00586	1.3
175.02806	3.1
175.04533	2.8
177.00688	3.8
177.02133	1.0
179.01875	7.0
181.03503	2.4
182.99678	6.2
183.01221	1.5
183.04930	1.4
185.02966	44.5
186.03123	2.5
187.02957	1.3
187.04529	4.7
189.00761	4.3
189.02464	6.9
189.04201	1.3
191.01962	1.0
191.03963	2.8
193.00270	6.1
193.01839	1.6
193.03702	1.6
197.02954	17.3
199.00919	5.5
199.02646	1.6
199.04515	5.4
201.00740	12.9
201.02516	2.1
201.06117	1.3
203.02310	1.0
203.04012	16.0
205.05707	1.3
209.03032	3.3
211.00993	1.8
211.04556	1.6
215.04039	10.7
216.03743	1.6
217.00194	4.1
217.01967	56.7
217.03764	4.1
218.02113	1.0
219.01746	12.2
221.05080	7.0
227.04016	8.6
229.01923	8.6
229.05573	2.4
235.01152	1.6
235.03047	11.4
235.04990	1.9
237.02914	5.6
239.04012	1.5
243.01762	4.5
245.05078	100.0
246.05269	5.7
247.02939	10.3
247.06876	2.3
251.04642	1.1
251.21645	0.9
253.01906	1.4
257.05093	12.6
258.04932	1.4
261.02853	19.5
261.05576	2.1
263.06192	9.8
271.03040	1.2
273.02762	1.5
273.08353	3.1
275.06113	15.3
276.06210	1.0
277.04056	16.8
277.06982	1.7
279.03864	7.0
291.03955	4.4
291.09201	1.6
293.07071	3.0
301.04089	10.8
305.07190	8.9
307.09058	1.9
319.05191	21.2
319.08670	2.1
321.04852	9.3
323.58746	1.0
335.08441	4.6
337.06104	21.9
337.09470	1.4
351.05820	1.4
365.09277	9.7
379.09464	1.8
399.07996	1.2
481.08740	1.7
499.11218	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3628
Annotation	Oncostemonol G
Peak:m/z	Relative Intensity
53.03939	1.9
55.05513	7.1
55.99179	1.3
57.07085	6.2
59.04982	4.2
59.94828	1.1
65.25581	1.2
67.05515	9.1
69.03423	1.1
69.07068	10.2
69.26637	1.2
69.82003	3.9
69.82404	2.6
71.08622	4.4
77.03918	1.4
79.05495	10.4
79.50784	1.0
81.07057	19.4
83.08602	6.8
85.02900	1.3
85.10189	1.3
89.06060	1.3
91.05471	10.1
93.07047	17.7
95.04964	1.8
95.08605	27.6
97.06528	2.7
97.10177	2.2
98.21424	1.2
105.06314	1.3
105.07030	22.8
107.04916	1.6
107.08596	22.9
109.06511	1.3
109.10155	14.4
111.08067	1.8
115.05419	1.4
117.07009	3.4
119.08586	52.4
121.06500	2.8
121.10148	22.3
123.08064	3.0
123.11713	5.7
125.05950	1.2
129.06982	1.2
131.08568	8.5
133.08621	1.5
133.10135	26.4
135.08063	5.5
135.11691	14.5
137.09737	1.2
143.08568	4.8
144.09291	1.1
145.10120	18.2
147.08072	3.5
147.11697	24.4
149.09592	2.4
149.13242	6.7
155.08548	2.2
156.09399	2.6
157.10120	5.5
159.08057	3.3
159.11693	7.1
161.09636	4.8
161.13225	7.0
163.07539	3.5
163.11151	2.1
163.14777	2.6
165.09103	1.9
167.14336	2.7
169.10133	3.3
171.11763	6.3
172.12579	1.4
173.09589	4.5
173.13242	7.9
175.11186	18.1
175.14850	4.8
177.09076	1.8
177.12711	1.5
178.09865	1.7
182.10948	2.8
183.11729	2.0
185.13287	2.5
187.11205	4.1
187.14818	14.9
189.16389	80.0
190.16704	2.0
196.12628	1.3
197.13182	7.5
199.14832	3.5
200.11922	1.1
201.16367	5.9
203.17908	1.9
205.15887	3.5
207.17378	2.0
211.14827	3.7
213.12729	2.2
213.16402	2.8
214.13622	1.5
215.14330	38.5
215.17529	1.5
216.14757	1.8
217.15887	4.7
225.16321	2.6
229.15860	7.8
231.17451	2.2
233.15385	18.7
235.16856	1.4
237.16391	1.3
238.97075	1.4
241.17862	2.1
247.16956	2.3
249.18529	6.6
251.16356	1.8
283.17688	1.1
283.20636	1.8
344.41428	1.3
401.31705	1.4
419.32907	6.6
427.28198	3.3
437.34039	3.2
439.26428	2.3
439.32135	41.3
439.38278	2.4
479.35251	100.0
480.35403	3.9
497.36172	90.9
497.41864	5.2
498.36514	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	498.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	5.8
55.09638	1.9
57.03441	8.0
58.88383	1.9
59.04996	3.8
59.92446	1.9
61.02927	5.1
64.94364	1.9
65.03950	1.8
67.05178	2.8
67.05510	35.3
69.03424	4.5
69.07064	10.2
70.31139	2.0
71.04996	10.0
79.05499	11.4
81.03414	6.3
81.07059	62.9
83.04970	3.6
83.08614	7.8
85.02901	5.1
85.06539	8.1
91.05492	17.1
93.07043	20.9
95.04951	3.2
95.08615	8.5
97.02888	5.5
97.06512	6.6
98.21559	4.3
99.04445	3.7
99.08079	5.0
105.05512	2.5
105.07025	7.4
107.08588	8.9
109.02869	3.1
109.06479	2.7
109.10133	5.0
109.89939	2.3
111.11710	6.9
117.07011	5.6
121.10138	6.5
123.11711	6.0
127.03932	3.3
129.12747	7.2
131.08574	5.8
133.10152	11.8
135.11673	8.4
145.04909	3.8
149.09146	2.1
149.13281	10.7
151.11194	4.6
153.01900	5.5
159.11736	23.5
161.13226	3.7
169.10114	2.5
171.63414	1.8
177.12767	29.5
179.14333	6.7
187.13283	4.4
191.06570	2.0
195.13779	7.6
215.16333	2.9
243.15948	36.0
251.16469	11.3
269.17493	100.0
301.20056	13.9
373.14081	6.5
445.24100	6.3
449.29434	2.1
480.25766	2.2
483.88477	2.1
498.27271	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	497.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.5
57.07078	2.6
67.05511	3.6
69.03436	0.6
69.07077	7.1
71.08617	0.9
71.25378	0.6
79.05521	2.2
81.07063	8.5
83.04977	0.6
83.08628	2.9
85.10175	0.4
89.06047	1.1
91.05492	2.5
93.07046	4.5
95.08619	13.0
97.06556	0.5
97.10175	0.5
105.07034	4.0
107.08602	5.7
109.06587	0.8
109.10173	5.2
111.08090	0.5
111.11711	1.3
117.07029	1.3
119.08598	6.5
121.06518	0.5
121.10154	4.1
123.08109	0.8
123.11728	2.5
129.06960	0.5
130.07826	0.6
131.08588	3.6
133.10141	7.5
135.08098	1.2
135.11705	2.1
136.45213	0.5
137.13266	3.4
141.06967	0.5
142.07825	0.9
143.08597	1.7
145.10135	6.6
147.08076	1.6
147.11723	4.1
149.09639	1.1
149.13254	2.1
155.08592	1.1
156.09343	1.0
157.10225	2.3
158.10962	1.8
159.11690	5.4
159.69817	0.5
161.09625	1.1
161.13287	2.3
163.11172	0.8
163.14870	1.0
169.10129	1.2
171.11635	2.1
173.09674	1.1
173.13281	12.4
173.14696	0.9
175.11200	1.2
175.14870	1.5
177.16466	0.5
179.42111	0.5
181.10277	0.7
183.11714	1.6
185.09706	0.6
185.13266	2.0
187.11096	0.6
187.14830	4.3
189.12775	0.6
189.16452	1.2
191.17946	0.7
195.11740	0.7
197.13367	1.6
199.11243	0.7
199.14841	1.9
201.12738	1.6
201.16389	0.5
203.18040	0.8
207.11746	0.7
209.13316	0.9
210.14104	0.6
211.14841	2.0
213.12813	1.2
213.16484	0.7
215.14352	1.6
215.17853	0.5
217.19534	0.5
221.13266	1.0
223.14827	0.7
225.16469	1.6
227.14349	1.0
227.18013	0.6
229.16037	0.5
231.13934	0.5
231.17342	0.6
233.13275	0.7
233.15472	0.6
235.14970	0.7
237.16472	0.8
239.18123	0.5
245.19046	0.6
248.15533	0.6
249.16359	0.6
251.14296	2.2
251.18082	0.8
252.14912	0.4
253.19522	1.1
261.14795	3.2
263.17950	3.2
265.16071	1.2
265.19571	0.6
266.16919	0.7
267.17551	0.5
281.19122	2.8
291.21136	0.6
309.80414	0.5
311.16461	0.9
341.21231	0.7
349.29047	0.5
391.33701	0.9
401.32321	2.2
419.33105	4.9
437.34283	11.1
438.34833	0.8
479.35260	100.0
480.35657	3.2
497.36172	7.9
497.42123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46696	0.8
51.02374	0.6
53.03947	1.3
55.01867	0.8
59.67105	0.6
61.02919	1.3
62.92245	0.6
65.03937	1.0
67.05496	2.2
69.03432	4.2
69.07073	46.6
69.86100	3.0
70.62246	0.6
79.05492	1.3
81.03419	1.5
81.07051	3.3
85.02910	8.1
91.05485	0.8
92.05014	1.4
94.06567	2.5
97.02895	2.3
97.06535	9.6
108.04457	0.8
109.02885	1.1
109.06533	0.6
119.03699	0.7
121.05229	0.7
122.06039	5.7
124.07579	1.7
125.06003	1.1
127.03914	1.6
131.07301	0.7
137.05992	2.1
138.05525	3.4
140.07071	4.7
144.08087	1.4
145.08868	1.8
145.10056	0.8
146.09647	2.0
148.03975	1.3
150.05515	62.3
152.07114	0.7
153.01826	0.6
155.08540	0.8
157.08936	1.9
160.11168	0.8
161.08398	2.9
162.09195	1.6
164.03485	0.7
165.04184	0.8
166.03731	1.4
166.05008	13.1
168.06479	1.2
171.06787	0.8
172.07578	1.5
172.11221	3.0
174.09174	1.6
174.12735	4.2
176.03365	3.8
178.05037	1.2
182.50517	0.7
185.08368	1.7
186.07689	1.7
187.10048	0.8
188.10706	1.1
190.12283	4.7
192.02928	1.5
194.04463	2.1
200.10727	5.2
202.12314	5.0
204.06671	0.7
216.10216	2.9
218.11774	17.8
226.08679	0.8
228.10216	10.5
228.12323	1.1
234.11215	2.6
243.11295	0.7
244.09718	1.7
245.12903	0.9
246.11270	16.0
255.11412	0.8
256.09717	1.3
257.09180	1.8
261.08881	0.8
261.12457	1.0
262.10904	1.2
271.10806	4.3
272.09207	2.6
273.12393	2.5
274.10791	2.6
287.10220	6.4
289.11810	6.7
290.10159	1.7
299.10281	6.5
317.11331	29.1
318.09445	1.2
335.12384	100.0
336.12665	2.4
384.81860	0.8
453.20981	1.3
497.19760	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	497.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00602	0.2
55.05516	0.6
57.07068	0.3
67.05492	0.9
69.03429	0.5
69.07070	1.7
69.82230	0.7
69.82630	0.5
72.88317	0.2
73.70234	0.3
79.05484	0.6
81.07055	2.3
83.08623	0.4
89.06023	0.5
91.05467	0.5
93.07045	1.3
95.04980	0.4
95.08611	4.2
97.10176	0.4
105.07066	1.2
107.08578	2.2
109.06540	0.5
109.10155	1.8
111.08092	0.3
111.11730	0.5
117.07059	0.3
119.08594	1.8
121.06500	0.4
121.10156	2.1
123.08053	0.3
123.11728	0.9
131.08549	1.4
133.10172	1.5
135.08089	0.8
135.11728	1.3
137.13237	0.7
143.08556	0.7
145.10141	2.4
147.11700	0.8
149.09598	0.6
157.10143	1.2
158.10884	0.7
159.08012	0.3
159.11671	1.8
161.09602	0.5
161.13292	1.1
163.11191	0.3
163.14899	0.6
169.10190	0.5
170.10965	0.3
171.08136	0.3
171.11685	1.1
173.09648	0.4
173.13257	4.8
175.11168	0.4
175.14894	0.7
183.11679	0.3
185.09644	0.7
185.13242	1.1
187.11096	0.3
187.14809	2.6
189.12735	0.4
189.16400	0.4
191.17950	0.8
195.92094	0.3
197.13264	0.5
199.14835	0.8
205.15921	0.8
211.14822	0.5
213.12744	1.9
215.14320	1.8
215.17981	0.4
227.14326	0.6
231.13889	0.8
281.18924	0.4
283.17438	0.3
351.28381	0.2
401.32013	0.6
407.29657	0.3
419.32904	2.5
422.31885	0.3
437.34174	100.0
438.34598	3.4
497.35986	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
53.03933	0.6
55.05500	2.4
57.07064	1.0
66.75697	0.5
67.05516	3.5
69.07077	3.9
69.16945	5.8
76.46469	0.6
79.05502	4.2
81.07054	10.5
83.08597	2.1
89.06014	0.9
91.05480	4.1
93.06561	0.7
93.07047	8.2
95.04978	1.5
95.08074	0.8
95.08614	12.7
97.06515	1.3
97.10143	0.6
98.21520	1.3
99.08073	2.0
105.07028	13.8
107.08598	10.0
109.06506	1.3
109.10162	6.9
111.08100	1.0
119.08585	24.2
121.06496	2.1
121.10137	10.1
123.08058	1.0
123.11678	1.7
125.05996	9.2
131.08571	3.3
131.51642	0.6
133.10132	20.0
135.08032	2.3
135.11691	6.1
136.87029	0.6
137.13182	0.6
139.07565	4.9
143.08562	1.6
145.06480	0.8
145.10124	10.0
146.10921	0.9
147.11687	17.8
149.09612	1.8
149.13228	0.6
151.11078	0.7
155.08554	1.0
156.09355	0.9
157.10132	2.3
159.08040	2.6
159.11707	4.9
160.12491	0.6
161.09589	2.4
161.13309	3.6
163.07542	0.8
163.11189	1.0
163.14757	0.8
165.09193	0.6
169.10100	2.1
171.11703	2.0
172.12485	1.4
173.09651	5.7
173.13206	2.1
175.11191	8.2
177.09109	3.7
178.58720	0.6
182.10901	0.8
186.10292	0.7
187.11224	6.7
187.12723	0.8
187.13292	0.9
187.14828	7.9
189.16386	100.0
190.16754	1.2
191.10657	3.5
197.13269	3.8
199.14824	0.6
201.16330	0.8
203.17984	2.0
205.15845	3.5
205.19553	1.7
207.17406	2.7
211.14845	1.4
213.16400	1.7
215.14322	17.1
217.15796	0.7
229.15881	53.0
230.16368	1.1
231.17458	8.3
233.15366	47.8
234.15735	1.2
243.17473	3.1
247.16949	18.6
247.19482	1.1
249.18500	21.8
257.18997	1.5
283.17551	0.8
283.20535	2.4
315.23114	1.0
349.25299	0.6
351.13446	0.6
419.33121	4.4
437.34158	10.3
479.35220	18.6
480.35049	0.7
497.36234	37.6
498.36359	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	496.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77975	0.8
53.03949	1.7
55.01876	7.2
55.05507	1.0
57.03442	12.4
59.04991	2.5
61.02928	5.9
65.91104	0.9
67.05491	2.8
69.03430	19.7
70.06586	1.1
71.01349	2.6
71.04973	1.7
73.02922	17.9
79.05495	5.9
81.03423	2.7
81.07061	10.9
83.04968	1.1
85.02909	40.2
87.04472	7.7
91.05495	4.8
93.07045	10.9
95.04959	3.2
95.08613	2.2
97.02898	24.6
97.06518	2.1
98.20705	1.4
99.04502	1.1
103.03958	2.1
103.05511	1.5
105.07037	91.4
107.08601	5.2
109.02883	2.7
109.06527	1.5
109.10140	2.7
110.07289	3.2
115.03934	17.1
119.08543	1.1
121.06518	2.4
121.10155	15.4
123.08051	1.0
127.03925	8.4
131.08549	1.8
133.04974	20.8
133.10138	100.0
135.08052	2.5
135.11696	6.6
137.09602	2.4
138.68800	1.1
139.07568	1.3
145.04961	10.6
145.10083	1.2
149.09642	4.6
150.07623	1.5
150.10431	1.8
151.11209	2.4
153.01811	4.6
157.10161	1.9
163.06041	3.1
164.01680	1.6
167.10736	5.6
173.09633	1.0
175.11214	1.4
178.43542	0.9
193.04843	1.0
211.11205	1.2
241.07082	2.0
259.08176	1.7
265.53369	0.9
300.68146	1.0
325.22818	0.9
424.88000	0.8
497.20258	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65633	0.2
55.05510	0.3
56.05028	0.5
57.03439	0.2
57.07077	0.7
58.06622	0.4
59.07409	0.2
60.08167	6.1
67.05511	0.6
69.07082	0.2
69.16740	1.4
70.06590	0.2
71.07383	3.0
71.08637	0.6
79.05488	0.2
81.07050	0.7
83.08625	0.2
86.09712	28.8
91.05473	0.2
94.07388	0.2
95.08610	0.5
98.98473	2.8
104.10750	3.2
107.08567	0.3
109.10153	0.3
125.00016	20.4
149.13190	0.2
184.07353	100.0
185.07689	0.5
228.23148	0.2
258.10971	0.2
313.27231	0.3
347.47763	0.2
382.02332	0.2
430.47971	0.2
478.33051	0.9
496.34427	1.4
515.23535	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	496.34
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05512	0.4
56.05024	1.3
57.03443	0.6
57.07076	3.1
58.06578	1.2
60.08166	17.3
67.05504	0.8
69.07068	0.4
71.07377	6.0
71.08636	1.8
81.07045	0.9
83.08613	0.6
85.10175	0.9
86.09708	49.8
95.08604	1.1
97.10216	0.3
97.34255	0.2
98.20711	0.5
98.98466	3.7
99.05047	0.2
104.10746	98.4
105.11111	0.4
109.10153	0.7
125.00008	28.8
163.01573	0.8
166.06319	0.3
181.02718	0.3
184.07346	100.0
185.07742	0.6
192.48186	0.2
214.85550	0.3
258.10992	1.3
313.27335	2.1
333.24374	0.2
478.32980	9.4
478.69379	0.3
496.33997	27.8
497.34351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01879	6.8
55.05509	1.0
57.03438	12.2
57.74712	0.8
59.04989	2.8
61.02929	5.8
67.05514	1.9
68.47447	0.7
69.03434	20.9
69.07069	1.4
69.55957	1.0
69.56319	6.1
70.06586	1.2
71.01357	3.1
71.04998	0.9
73.02920	14.5
75.04469	0.7
79.05495	6.1
80.06235	0.9
81.03421	2.1
81.07064	11.3
83.04991	1.2
85.02908	36.6
86.09708	1.2
87.04485	4.8
90.06366	0.8
91.03951	1.5
91.05500	4.5
93.07044	12.4
95.04980	3.0
95.08604	3.3
97.02902	20.1
97.06535	2.2
99.04489	1.7
103.03954	2.0
103.05486	0.9
105.07035	95.3
106.07364	1.7
107.08620	5.4
109.02901	4.2
109.06548	3.8
109.10152	2.7
110.07321	2.9
115.03938	15.4
119.08604	1.3
121.06506	1.4
121.10139	14.7
123.11738	1.9
125.09557	0.8
127.03906	8.5
129.32607	0.9
131.08569	2.1
133.04968	21.7
133.10136	100.0
134.10489	1.4
135.08104	1.5
135.11710	6.1
137.09610	2.6
139.07500	1.3
143.65453	0.8
145.04971	10.6
145.10143	2.5
146.22865	0.8
149.09604	4.5
150.07608	1.3
150.10390	1.0
151.11186	2.4
153.01822	3.6
154.04901	1.0
157.10138	1.8
163.06015	2.1
163.21895	0.8
167.10696	6.7
169.05029	1.1
175.11241	1.9
182.02660	0.9
185.11740	1.8
199.11214	1.1
211.11139	1.0
223.06065	1.6
229.12268	1.4
241.07137	2.0
247.13193	1.2
259.08249	1.2
263.24753	0.8
284.89883	0.8
387.55646	0.9
427.52737	0.9
458.94827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.0
54.92157	2.6
55.01874	10.4
55.05501	2.8
57.03438	29.7
59.05000	5.5
61.02923	8.0
67.05480	3.4
69.03437	35.7
69.96481	12.6
70.06605	3.4
71.01361	5.4
73.02921	35.6
73.76357	2.8
75.04475	12.1
79.05483	12.1
81.03413	10.0
81.07049	11.6
84.04558	2.9
85.02912	74.3
87.04468	6.4
91.03959	4.3
91.05507	16.6
93.07050	87.5
95.04961	6.4
95.08597	7.0
97.02898	51.3
98.21490	3.5
99.04465	4.1
105.07043	15.2
107.08598	7.2
109.02862	5.9
109.06514	4.2
111.08099	14.8
115.03942	28.9
121.06504	3.7
121.10158	100.0
127.03951	17.7
133.04987	38.9
133.10127	12.4
139.11192	13.9
145.04968	24.1
149.09587	15.5
150.07674	3.8
153.01816	8.1
163.06064	7.1
167.10704	68.6
191.10756	4.7
209.11844	3.5
259.08170	5.4
281.13922	7.3
288.02847	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	496.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
53.59518	1.0
55.01872	4.4
55.05516	13.2
56.05844	2.3
56.20406	1.1
57.03444	7.4
62.32552	1.2
64.01764	1.0
65.41362	1.0
65.91411	1.2
67.05177	1.9
67.05505	20.8
68.05832	4.5
69.03424	4.2
69.07069	5.6
69.87254	5.8
71.04987	4.8
78.32839	1.0
79.05498	21.9
80.05824	5.4
81.03423	36.5
81.07065	26.4
82.03745	9.0
82.07393	8.5
83.04988	8.4
83.08622	15.0
84.05303	2.2
84.08943	3.5
85.02445	1.4
85.02917	20.9
85.06547	1.2
86.03246	2.7
91.05489	24.7
92.05842	7.6
93.07060	13.3
94.07375	4.5
95.04970	17.7
95.08620	6.0
96.05302	5.8
96.08944	3.2
97.02856	1.6
97.06523	4.6
97.10164	1.7
98.10492	1.4
105.04469	1.6
105.07034	13.4
106.07371	4.7
107.04948	4.4
107.08588	5.9
108.04489	1.5
108.08945	3.7
109.06510	3.3
109.10143	2.7
110.10534	1.3
111.04417	2.2
111.08051	5.7
112.04764	1.3
112.08430	1.3
113.06023	2.0
115.05469	1.9
117.07029	2.9
119.08585	10.8
120.08920	4.4
121.06482	1.6
121.10142	6.5
122.10474	2.4
123.08094	1.8
127.00668	1.1
127.07597	1.4
129.06989	4.8
130.07356	2.8
131.08580	7.1
132.08022	1.4
132.08932	3.7
133.06552	2.0
133.10181	6.4
134.10489	3.7
134.48450	1.1
135.11652	1.3
137.09674	1.9
138.05466	1.8
145.06551	1.1
145.10080	1.7
147.08018	1.7
147.10716	1.5
147.11676	7.3
148.12041	2.7
149.09648	3.1
150.09917	2.1
153.01843	1.4
157.10114	6.1
158.10487	4.1
161.07135	2.0
165.12813	1.9
175.11165	6.2
176.11537	6.4
182.08183	1.6
187.08731	5.3
188.09416	1.4
193.12247	24.5
194.12607	16.9
195.09233	3.2
197.07034	1.3
199.08636	2.0
202.08620	1.8
205.62891	1.1
211.08884	2.4
211.13290	22.4
212.13623	20.2
213.10258	2.0
223.08594	3.5
224.09480	2.0
225.10222	4.6
226.11124	1.6
227.08138	3.9
229.09756	2.1
237.10239	4.8
239.11690	2.5
241.09798	2.7
242.10576	3.2
243.11293	1.1
245.09325	1.3
251.11841	1.4
253.09769	2.1
253.13330	2.0
254.10741	1.8
255.11339	3.1
265.09692	1.8
267.11292	1.9
267.16086	2.3
268.16342	3.5
271.10867	2.2
273.08975	1.4
283.10873	5.3
285.08679	3.8
286.09335	1.4
287.10339	2.2
288.11371	2.4
288.15021	1.3
295.10712	1.7
297.12381	1.9
301.08749	1.3
301.12051	4.5
302.09491	1.2
302.13107	3.0
304.11664	6.4
312.11157	3.7
313.11899	9.9
315.09930	2.3
315.13388	20.7
316.10944	3.6
316.14377	5.5
317.11667	4.5
317.14957	1.5
318.12381	3.2
326.36166	1.2
327.13724	5.8
329.11496	3.4
330.12314	9.1
330.15909	2.6
331.13202	4.8
332.14041	5.5
344.13980	5.5
345.14597	3.5
346.15640	2.8
348.13400	1.2
358.11539	6.9
358.15594	2.9
361.13904	13.3
362.14801	1.6
373.14294	6.0
376.12814	2.3
376.17020	1.6
377.14258	1.3
386.14978	3.9
386.24176	2.0
387.13602	2.8
388.13208	2.2
389.14023	1.9
390.14444	5.2
391.15488	6.3
404.16077	20.9
404.24774	1.8
405.16541	1.2
420.18771	1.2
437.16721	2.1
446.17090	3.2
447.15527	2.1
449.15945	2.6
460.27872	1.7
464.18204	100.0
465.18576	5.5
478.28873	4.1
496.29880	36.3
496.58319	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03939	0.8
55.01876	0.6
65.03933	0.9
69.03424	3.2
69.55525	2.8
79.01856	3.2
81.02993	0.7
81.03427	7.6
85.02923	3.1
91.05486	4.7
95.04968	2.6
97.02895	5.0
98.21494	0.8
99.04433	0.9
107.01340	1.6
107.04972	4.0
109.02891	4.7
119.04947	7.2
120.04478	3.2
121.06548	0.8
123.04440	11.4
125.02375	3.3
125.04746	1.7
127.03934	4.7
129.05434	0.6
135.06776	0.6
136.07591	23.6
139.94202	0.5
143.03424	5.6
145.04970	0.8
147.04416	4.7
148.03999	0.6
148.07501	0.6
151.39552	0.5
153.01845	100.0
153.02892	5.4
154.02179	1.3
160.07602	0.6
163.90227	0.6
165.05482	18.3
166.04984	6.9
171.02893	9.6
174.24860	0.6
178.08649	1.6
182.08145	30.9
188.07190	1.1
223.55200	0.4
224.09276	2.0
244.09743	0.9
250.40706	0.5
272.09293	1.1
290.10147	1.4
297.06140	8.7
303.01431	1.3
315.07095	3.9
460.12234	0.9
475.43430	0.5
478.13763	0.8
497.09024	0.6
519.27509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.05268	1.7
55.05513	21.8
55.39297	1.1
57.03439	16.7
63.91060	1.4
65.03938	2.8
67.05508	36.8
69.03446	5.6
69.07066	11.6
71.04982	8.6
71.71894	1.2
79.05496	41.4
81.03420	86.0
81.06587	2.2
81.07059	43.8
83.04983	18.3
83.08147	2.2
83.08620	32.9
85.02908	45.8
85.06534	3.5
91.05485	51.0
93.07047	27.7
95.04369	2.3
95.04969	38.5
95.08607	15.4
97.02885	3.1
97.06554	7.2
97.10166	6.6
99.04465	1.1
99.08083	2.2
103.05466	1.3
105.04554	1.4
105.07035	32.6
107.04967	10.3
107.08614	12.9
109.06527	11.2
109.10176	6.8
111.04465	5.7
111.08084	14.3
113.06005	4.9
117.07008	3.4
119.07807	2.5
119.08585	26.7
119.09376	2.2
121.06507	3.4
121.10153	16.4
123.08098	5.2
123.11689	3.4
125.09624	3.4
129.07030	14.2
131.08588	17.3
133.06494	4.3
133.10138	15.7
135.08105	2.5
135.11731	1.6
137.09613	2.6
139.11192	3.0
142.07813	4.3
145.10121	4.2
147.08073	3.8
147.11702	22.7
149.09654	9.9
157.10141	20.0
159.07990	1.2
163.11230	2.2
165.12747	6.4
175.11191	23.4
193.12248	81.9
196.12799	1.2
211.13298	100.0
212.13792	1.6
219.13881	2.7
227.48874	1.3
231.94206	1.3
259.15445	2.2
267.15897	9.1
285.16965	4.6
367.22775	2.8
385.23828	2.0
403.24893	2.8
459.27371	4.1
477.28415	7.0
495.29544	70.2
496.29861	2.8
517.48572	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01871	4.0
55.05516	21.1
57.03193	1.3
57.03442	12.7
59.04990	1.3
65.03945	1.9
67.05511	33.8
69.03429	4.2
69.07069	7.6
70.63820	3.1
71.04990	7.5
79.05500	31.3
81.03424	85.9
81.07065	40.0
83.04986	17.3
83.08627	28.7
85.02911	46.0
85.06554	3.5
91.05487	50.7
91.05917	1.4
91.26221	1.3
92.73679	1.2
93.07056	22.8
95.04978	37.5
95.08620	13.1
97.02893	3.2
97.06548	3.7
97.10175	5.3
103.05492	1.3
105.04491	1.9
105.07040	34.4
107.04972	8.6
107.08604	9.9
109.06531	4.9
109.10166	3.3
111.04462	4.3
111.08096	17.5
113.05980	3.3
115.05537	1.3
117.07054	3.4
119.08592	25.1
121.06541	2.5
121.10146	12.0
123.08076	3.9
123.11739	2.2
125.06049	1.5
125.09656	2.9
128.06219	1.6
129.07024	13.2
131.08563	14.5
133.06529	3.4
133.10149	12.2
135.11713	1.5
142.07825	2.0
145.10156	3.3
147.08073	4.4
147.11707	19.1
149.09627	7.1
151.11162	1.2
157.10155	18.3
165.12785	3.8
175.11186	20.7
189.11270	1.4
193.12260	87.1
193.64908	1.2
194.12631	3.0
211.13307	100.0
250.99420	1.6
267.15909	6.5
285.17001	2.9
385.23785	2.5
459.27826	2.1
477.28467	4.8
495.29587	73.9
496.29861	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	495.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
55.05511	13.5
57.07079	8.9
65.03928	4.2
67.05509	100.0
68.05843	1.9
68.45740	1.4
69.07081	10.3
70.87189	3.8
71.05001	2.6
71.08643	8.0
79.05500	18.7
81.07061	82.3
82.07372	1.7
83.08621	6.3
85.10197	4.7
89.06042	2.3
91.05475	7.0
93.07061	13.6
95.08613	92.2
97.10184	5.2
105.04452	2.1
105.07034	4.2
107.08593	5.7
109.10164	49.6
117.06961	2.1
119.08574	2.4
121.10138	4.2
123.11730	11.0
133.10156	3.4
135.11693	3.8
136.12035	1.5
137.13222	3.9
145.10123	2.2
147.11673	2.0
149.13290	2.7
151.14893	1.7
173.05981	2.6
189.05434	2.1
201.05499	3.2
217.04971	3.0
219.06560	15.0
239.23586	2.0
247.06024	26.2
248.06850	3.1
275.05530	4.7
282.24002	1.5
289.07126	3.8
293.06619	5.0
315.08591	2.8
331.11874	1.8
371.14981	1.9
373.16431	1.9
385.16364	2.1
387.17978	4.5
399.18262	5.4
401.19638	5.4
404.73041	1.7
413.19620	4.3
417.24036	3.2
425.19449	3.5
435.25458	2.8
439.20874	4.0
445.23877	5.3
453.22995	1.7
463.24933	14.2
477.26218	2.8
495.27414	32.1
495.40240	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	495.1838
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
63.42918	0.5
67.05520	0.9
69.03468	0.6
69.59769	0.6
70.63669	1.8
81.07055	1.0
85.02888	0.7
93.07070	0.7
93.78149	0.6
95.08617	0.9
102.40302	0.5
109.06549	1.0
109.10164	2.3
116.85111	0.6
121.06493	0.7
151.07532	2.3
153.01805	1.1
162.06609	0.9
173.05751	3.2
203.05209	1.1
229.11998	8.6
231.13481	0.9
237.62440	0.5
245.06326	3.1
245.88962	0.6
247.13075	9.1
289.05334	7.5
321.61078	0.6
333.06091	2.3
409.18384	4.8
451.19421	23.7
452.19589	0.8
495.18420	100.0
496.18613	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	494.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01855	0.8
55.05501	2.0
57.03428	1.2
57.07055	0.9
60.04529	1.9
61.39832	0.7
63.85239	0.7
67.05498	1.3
67.10334	0.7
69.03416	2.1
69.07060	3.7
69.39202	4.9
69.39609	1.7
71.04994	15.7
79.05489	1.4
81.03429	4.1
81.07053	3.3
83.04976	1.4
83.08595	0.9
85.02908	5.7
85.06555	1.6
87.00831	1.6
91.05484	1.1
93.07056	4.6
95.08609	6.5
97.02885	2.1
97.06519	2.3
97.09050	0.8
97.10196	0.8
99.04459	43.2
105.01809	1.2
105.07019	1.8
107.08577	5.2
109.02840	1.6
109.06519	1.2
109.10165	3.4
113.09648	5.1
115.07572	2.3
119.08569	3.5
121.10130	2.3
123.08054	1.7
123.11700	2.4
125.09644	2.0
127.03913	2.2
133.10115	4.1
135.11697	13.6
137.09613	1.1
139.11166	1.3
140.98866	0.8
141.09109	0.9
141.12715	2.3
149.13184	0.9
151.14796	1.9
153.01834	1.0
153.12761	1.5
167.07281	0.7
175.14803	6.2
178.92528	0.7
180.08771	0.7
193.15897	6.2
211.16940	100.0
212.17317	1.6
243.17952	0.8
332.27979	2.4
355.64575	0.8
494.33713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	17.4
57.05736	5.2
62.04950	4.8
65.45430	4.8
66.28162	5.0
67.05508	21.4
69.03430	14.7
69.07076	23.2
69.39334	26.2
69.39754	18.3
70.06576	8.3
71.04999	17.4
71.98591	5.1
77.24908	5.0
78.03471	10.0
79.05488	8.9
81.03413	23.2
81.07059	23.0
83.04961	6.0
83.08642	15.8
85.02917	30.9
87.00851	10.4
91.05495	11.4
93.07042	27.3
95.04984	9.3
95.08621	36.6
97.02894	16.4
97.06548	17.0
99.04467	12.8
101.77599	5.1
105.01878	10.1
105.07025	16.0
106.02896	11.7
107.08611	51.5
109.02872	13.7
109.06525	15.8
109.10147	39.1
111.08114	8.0
111.11704	5.3
115.07558	15.0
119.08620	25.0
121.10165	14.5
123.08108	10.6
123.11717	12.2
124.03966	52.4
126.05582	6.1
127.03926	23.5
131.08595	8.0
133.10156	55.2
135.11720	48.4
137.09616	20.3
142.35272	6.3
145.04984	7.7
145.10132	6.7
147.11736	8.4
149.13292	11.3
153.01825	69.1
153.02994	7.0
163.11250	5.6
165.12917	6.4
167.14418	6.6
175.14856	61.7
193.15915	100.0
211.16945	90.0
240.18040	4.9
241.46629	5.5
268.08224	17.5
286.09192	25.3
315.07312	12.6
423.21002	6.3
437.13831	6.2
450.18359	13.4
451.18839	5.6
476.22116	7.7
494.17258	41.1
495.18210	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	493.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20064	1.4
53.03942	4.9
55.01865	3.5
55.05515	20.2
57.03448	7.3
57.07082	38.7
65.03936	1.8
67.05511	73.1
69.07072	24.2
71.01343	4.1
71.04983	3.7
71.08633	28.5
73.06579	1.7
79.05496	34.7
81.03428	10.2
81.07063	49.0
81.38866	1.5
83.05008	7.3
83.08630	22.9
85.06519	3.9
85.10183	13.3
91.05492	19.5
93.06480	2.8
93.07053	41.8
95.04971	4.9
95.08617	36.5
97.06528	8.6
97.10166	15.1
98.20795	3.7
105.07023	5.5
107.08600	23.2
109.02956	2.2
109.10159	34.6
111.04464	2.1
111.08081	2.7
111.11734	3.9
117.07007	4.2
119.08558	7.4
121.06520	1.8
121.10129	7.3
123.11730	6.8
125.13297	2.0
131.08600	1.7
133.10129	2.7
135.11700	43.8
137.09621	2.8
137.13293	3.4
145.10143	4.4
150.12326	1.6
153.12772	2.7
163.11186	6.9
173.11787	7.3
181.12230	7.8
193.12302	3.9
221.22896	2.1
239.23706	7.8
265.25299	3.8
472.86188	1.8
493.38925	100.0
494.38998	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	493.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.05514	21.8
57.03445	8.8
57.07080	47.1
65.03947	3.2
66.99496	1.1
67.05508	66.4
68.93831	1.2
69.03433	3.5
69.07075	21.4
69.23395	11.4
71.01348	4.0
71.04997	3.3
71.08637	30.3
76.76157	1.4
79.05498	40.3
81.03444	9.6
81.06589	2.7
81.07062	43.0
83.05000	7.3
83.08621	21.6
85.02904	2.0
85.06546	3.8
85.10186	16.2
91.05489	18.7
93.07047	49.0
93.07640	2.4
95.04976	4.9
95.08618	37.8
97.06551	10.0
97.10183	16.0
98.20593	1.4
99.04464	1.7
99.08092	2.9
105.04550	2.2
105.07053	5.8
107.04977	2.0
107.08601	26.1
109.10164	25.0
111.04460	2.3
111.08065	3.1
111.11739	3.4
115.82305	1.3
117.07015	4.9
119.08595	5.4
121.10177	7.8
123.11717	5.8
125.09630	1.6
125.13268	1.8
133.10153	3.6
135.08060	1.9
135.11702	50.2
137.13301	2.6
139.96257	1.3
145.10130	7.3
148.82526	1.2
153.12813	2.1
157.10262	1.6
163.11217	7.0
169.10170	1.5
173.11758	1.4
181.12216	13.2
193.12357	3.6
199.13373	1.9
221.15527	2.4
221.22745	1.7
239.23666	12.4
249.19504	1.3
267.16107	2.0
313.27707	1.7
432.02936	1.5
493.18048	2.5
493.38916	100.0
494.39459	2.8
508.91742	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70997	0.5
55.01860	1.0
55.05506	0.7
67.05493	1.6
69.02415	0.6
69.03417	2.4
69.04211	0.5
69.07066	4.0
70.95638	1.6
71.04999	17.5
73.02902	0.9
73.06539	0.6
75.92515	0.6
79.05487	0.9
81.03423	2.5
81.07050	2.2
83.08631	0.5
85.02917	4.1
85.06536	1.5
87.00829	1.8
91.05432	1.0
91.06705	0.5
93.07039	2.4
95.05000	0.6
95.08608	5.7
97.02924	1.6
97.06529	1.6
97.10133	0.6
97.91689	0.6
99.04464	44.4
105.01849	1.7
105.07036	1.4
107.08606	5.6
109.02848	1.2
109.10178	3.5
113.09660	5.7
115.07568	2.0
119.08576	3.5
121.10156	1.7
123.08065	0.9
123.11726	2.6
123.74749	0.7
125.09614	2.2
127.03911	1.6
133.10165	3.8
135.11705	17.2
137.09622	0.9
137.42384	0.6
139.11176	0.9
141.12752	2.5
147.11732	0.8
149.13271	0.9
151.14859	2.9
153.12746	1.3
175.14888	4.9
193.15926	6.0
211.16949	100.0
212.17313	1.6
215.50876	0.6
257.77707	0.6
332.10983	0.6
495.18604	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	493.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.05511	23.9
57.03429	5.4
57.07078	61.3
62.69506	1.6
62.93094	1.9
67.05508	75.0
69.07069	24.4
71.01360	2.9
71.04984	4.6
71.08636	37.2
71.29887	1.9
71.51500	2.4
79.05494	47.6
81.03423	3.9
81.07060	51.8
83.04994	9.4
83.08619	19.0
85.06542	3.6
85.10181	27.1
91.04960	3.1
91.05477	23.1
93.07048	55.1
95.04976	6.0
95.08611	44.2
95.09184	4.1
95.43132	1.8
97.06539	14.0
97.10160	15.7
99.08102	4.1
105.04537	2.0
105.07021	5.3
107.08603	34.7
109.10154	22.4
111.11739	3.3
117.07039	6.7
119.08589	6.3
121.06490	2.4
121.10152	7.9
123.11702	6.8
125.09644	2.3
133.10124	5.3
135.08055	2.7
135.11703	58.8
137.09634	2.5
137.13258	3.5
140.32979	2.0
145.10152	9.6
163.11206	6.6
181.12234	10.6
225.13319	2.3
239.23720	8.4
256.92621	1.9
286.55264	2.0
493.30301	10.4
493.38892	100.0
494.39084	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	493.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.8
55.01866	16.5
55.05267	4.4
55.05514	58.4
57.03421	7.4
59.04994	9.3
65.03917	3.7
67.05511	87.4
69.03431	6.7
69.07076	22.0
70.95943	8.1
71.05003	25.6
73.06564	4.3
79.05072	5.7
79.05501	81.7
81.03424	51.8
81.07062	100.0
83.04993	23.4
83.08634	27.5
83.81158	3.3
85.02917	7.5
85.06532	11.3
91.05487	90.6
91.31953	3.0
93.07052	85.4
95.04970	38.3
95.08623	44.1
97.06526	18.7
97.10177	26.7
99.08089	6.9
105.06324	4.9
105.07036	77.2
107.04947	19.9
107.08611	44.9
109.06547	18.3
109.10159	25.0
111.04455	10.9
111.08095	17.8
115.05430	5.6
117.06999	28.8
119.08576	46.7
121.06538	18.5
121.10136	34.8
123.08064	11.8
123.11687	6.4
125.06023	5.2
125.09661	22.8
128.06192	6.5
129.07005	37.5
131.08585	55.0
133.06476	7.8
133.10127	31.1
135.08070	16.6
135.11693	14.3
137.09630	6.9
141.07001	6.4
142.07751	5.5
143.08556	19.3
145.06509	7.9
145.10150	24.0
147.08064	11.5
147.11685	18.5
149.05978	3.3
149.09639	17.4
149.13251	4.1
151.11154	3.5
153.09079	3.6
153.12752	9.8
155.08539	10.8
157.10115	23.6
159.08076	6.2
159.11755	10.1
161.09589	11.8
161.13248	5.2
163.11197	16.5
165.12805	5.3
167.08612	5.1
169.10097	10.3
171.11671	11.7
173.09648	9.0
173.13223	4.8
175.11201	12.2
179.10690	3.3
181.10052	5.7
181.12250	6.4
183.11729	9.3
185.09447	3.5
185.13240	10.0
189.11234	13.8
189.12758	4.2
189.16267	3.2
191.10706	6.2
193.12289	32.4
195.11623	6.8
197.13231	6.0
197.23419	3.2
199.14885	9.8
201.12630	4.1
203.14388	7.8
207.13762	4.0
209.11635	3.6
211.11345	6.2
211.13312	19.2
211.15016	3.6
217.15828	9.9
221.15341	8.2
223.14987	3.7
225.14856	5.0
227.12659	19.1
229.15909	3.5
233.15314	3.6
249.14937	5.0
257.15131	5.1
259.17126	4.2
267.15884	13.0
278.50296	3.7
283.15338	8.0
284.55991	3.3
302.00540	4.3
323.23907	5.1
333.22202	7.9
341.24658	8.3
351.23102	16.4
355.22357	4.2
359.26099	4.5
369.24335	45.4
383.22256	4.7
387.25259	20.6
401.22891	6.5
405.26382	13.7
417.26572	5.2
419.28476	6.1
425.26865	3.9
435.27649	15.5
437.29037	24.4
443.28015	27.0
461.29053	73.5
475.25980	7.2
475.31454	5.1
493.32449	97.9
494.31625	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	493.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.8
55.01877	18.1
55.05270	4.7
55.05513	50.9
57.03431	13.5
65.03931	7.9
67.05508	78.1
69.03405	7.2
69.07068	18.2
71.01338	2.7
71.04977	7.1
79.05498	52.9
81.03421	84.3
81.07053	61.4
83.04977	25.3
83.08615	36.9
85.02893	11.2
85.06544	6.1
91.05486	52.4
93.07043	58.7
95.04967	51.5
95.08606	30.5
97.02884	7.7
97.06516	9.7
97.10182	24.5
98.20630	6.0
103.05473	3.6
105.07033	35.4
107.04944	31.7
107.08598	39.5
109.02870	3.7
109.06516	12.9
109.09459	3.6
109.10155	28.3
110.26007	2.3
111.04456	18.6
111.08076	17.3
115.05434	5.0
117.07021	13.5
119.04919	3.7
119.08588	33.6
121.02853	11.2
121.06497	13.8
121.10143	22.4
123.04419	6.0
123.08049	8.7
123.11696	2.6
125.05941	3.3
125.09635	19.8
129.06982	16.4
131.04884	3.8
131.08589	24.5
133.06499	6.2
133.10118	13.8
135.04431	9.7
135.08063	8.0
135.11694	28.1
137.05994	3.6
137.09610	4.8
139.11137	4.1
142.07806	5.4
143.08566	8.4
145.06511	3.1
145.10132	23.3
147.04445	5.2
147.08046	5.3
147.11694	12.6
149.09634	12.5
153.09134	6.6
153.12721	7.9
155.08572	4.5
157.10147	19.3
161.05994	3.0
161.09726	3.4
163.11179	37.7
165.12782	5.8
170.40550	2.8
171.10162	4.4
173.09680	6.8
173.11787	3.1
175.11198	14.0
181.12195	13.3
185.13185	3.2
189.11174	14.4
191.10648	13.6
193.12241	47.3
197.09624	2.7
201.12730	3.7
203.14363	4.6
209.11679	20.4
211.11313	5.7
211.13268	43.9
213.12726	4.4
217.12202	4.0
219.13812	8.1
227.12799	65.2
229.12262	5.3
229.14355	8.3
231.13783	6.5
235.13333	3.0
247.13321	36.2
249.14937	14.0
265.14502	3.8
267.15881	21.4
283.15387	18.5
313.32919	2.8
321.17017	8.6
347.19693	3.5
355.22693	9.2
365.21124	5.8
373.23526	4.0
383.22183	12.2
401.23111	18.2
419.24490	6.0
457.26053	4.8
475.26880	46.5
493.27917	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	493.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01873	16.5
55.05516	45.9
57.03446	13.5
59.05001	4.1
65.03938	4.7
67.05509	70.5
69.03442	5.8
69.07067	15.3
69.52027	10.2
69.52437	9.5
71.01380	3.2
71.04992	8.0
73.91481	2.8
79.05064	5.1
79.05496	59.7
81.03424	72.1
81.07059	46.1
83.04993	28.4
83.08633	34.5
85.02921	17.1
85.06510	3.4
91.05484	59.9
91.50012	2.6
93.07044	42.4
95.04980	42.2
95.08601	20.7
97.02893	5.3
97.06517	13.1
97.10182	20.4
99.08080	3.8
103.05444	3.1
104.06100	2.8
105.07037	36.3
107.04960	22.1
107.08589	23.2
109.06512	10.1
109.10159	16.8
111.04445	15.7
111.08089	11.7
115.05420	3.1
117.07017	18.3
119.08591	29.0
121.02860	8.9
121.06523	10.1
121.10135	18.3
123.04416	6.1
123.08078	8.1
123.11669	3.2
125.09646	14.5
129.07004	14.5
131.08560	18.9
133.06496	6.0
133.10167	14.0
135.04431	5.2
135.08089	7.7
135.11705	17.4
137.06030	4.1
137.09641	5.3
141.07019	5.0
142.07849	4.5
142.51814	2.3
143.08542	3.7
145.06546	4.8
145.10123	18.8
147.04445	3.7
147.08076	7.8
147.11693	15.3
149.09615	6.1
153.09183	3.1
153.12749	6.4
157.10109	13.1
159.11841	3.4
163.11220	26.6
165.09117	3.2
171.10063	3.0
173.09641	6.6
175.11182	13.1
181.12271	12.2
185.13281	3.3
189.11217	9.5
191.10710	11.5
193.12253	43.1
203.14317	3.1
209.10007	2.6
209.11650	14.0
211.11276	4.4
211.13274	36.1
213.12723	3.3
219.13805	3.0
227.12747	26.2
229.12263	3.2
229.14406	5.1
235.13173	3.2
247.13350	25.6
249.14909	9.0
265.14523	5.2
267.15952	11.3
283.15460	11.0
288.92065	2.6
321.17010	5.4
373.23700	5.6
383.22159	12.0
401.23270	12.1
475.26950	33.8
493.27945	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	493.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.9
53.98451	3.1
55.01871	19.6
55.05513	50.5
57.03427	13.3
57.07070	5.3
59.04991	3.1
63.25127	3.1
65.03933	5.8
66.06226	3.3
67.01668	2.9
67.05141	3.8
67.05508	86.6
69.03419	7.9
69.07072	20.0
71.04993	8.7
79.05492	71.9
81.03419	93.0
81.07059	64.7
83.04980	24.5
83.08626	44.9
85.02893	13.0
91.05479	61.9
92.20529	3.3
93.07049	68.0
95.04976	51.6
95.08606	41.7
97.02895	13.2
97.06527	12.8
97.10155	19.1
98.21596	6.4
99.04459	5.7
105.07043	33.3
107.00558	3.8
107.04943	33.5
107.08599	41.3
109.06495	6.4
109.10170	30.5
111.04459	23.4
111.08118	19.7
115.05480	5.5
117.07033	19.1
119.08598	32.3
121.02879	10.7
121.06486	16.2
121.10155	19.6
123.04414	5.0
123.08080	7.3
125.09634	19.2
129.07001	15.1
131.04854	3.3
131.08557	20.5
133.06503	8.3
133.10103	13.8
134.38997	3.2
135.04419	9.3
135.08055	7.5
135.11685	38.8
142.07829	3.8
143.08534	4.1
145.06442	5.3
145.10115	29.7
147.04414	5.4
147.08032	7.9
147.11710	16.7
149.05936	3.3
149.09578	8.8
151.11154	3.0
151.16103	2.8
153.09113	6.6
153.12692	8.8
155.08604	4.4
155.10699	3.1
157.10097	14.6
161.13098	3.4
163.11192	55.7
165.12628	3.7
169.10043	4.0
173.09607	5.1
173.11838	4.9
175.11188	15.7
181.12294	19.3
183.11728	4.9
189.11200	11.3
191.10674	10.6
193.12250	55.8
201.12688	3.4
201.14847	5.3
203.14212	3.8
209.11697	17.2
211.11340	6.5
211.13300	60.5
219.13824	8.6
227.12791	97.5
229.12331	5.9
229.14404	6.0
229.96748	3.9
231.13792	4.3
247.13303	37.4
249.14883	11.2
267.15961	20.0
283.15466	18.7
321.16943	8.3
365.21182	4.8
383.22095	12.4
401.23334	16.7
419.24344	4.5
457.25958	4.6
475.26895	44.1
493.27991	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	493.2436
Annotation	Scupolin J
Peak:m/z	Relative Intensity
53.03953	2.0
55.01862	2.9
55.05514	8.1
57.03436	1.9
59.04990	1.1
65.03936	4.6
67.05504	16.7
68.74979	0.9
69.03423	4.6
69.07066	5.7
70.62974	1.0
71.04982	3.3
71.38329	0.9
72.10337	0.9
74.57663	0.9
79.05495	11.1
81.03427	12.3
81.07057	15.3
83.04984	5.4
83.08626	6.5
85.02914	4.7
85.06534	2.1
88.14212	1.0
90.59638	0.9
91.05481	10.9
93.07045	10.2
95.04974	15.6
95.08607	16.2
97.02898	5.5
97.06506	1.1
97.10175	3.3
99.04456	1.5
105.07030	8.4
107.04973	3.7
107.08591	10.7
109.02874	2.7
109.06528	4.8
109.10155	40.5
111.04442	2.9
111.08083	1.5
117.07032	4.0
119.08587	18.0
121.02868	100.0
121.06504	2.3
121.10160	7.4
123.04454	2.4
123.08076	6.2
123.11696	4.5
125.09621	2.8
127.03940	3.0
127.30298	1.1
128.68280	1.0
129.06955	2.6
131.08572	4.1
133.06506	2.2
133.10124	10.9
135.04445	1.1
135.08133	2.4
135.11691	44.1
137.09595	6.7
139.03903	17.5
139.11137	1.1
143.08533	1.4
145.04910	1.0
145.10141	3.1
147.08052	2.1
147.11685	3.3
149.09645	2.4
149.13269	3.1
151.11197	4.1
151.14830	3.5
153.12747	2.8
155.08510	1.4
163.11172	2.5
165.16406	1.1
167.11768	0.9
173.09712	1.7
175.11234	2.1
175.14819	15.3
185.50308	1.0
189.11276	1.4
191.10623	1.5
193.12196	2.3
193.15886	25.2
193.17673	1.3
207.13852	1.2
209.11772	6.4
211.13327	1.8
211.16927	19.7
213.12793	1.3
217.12206	1.3
227.12854	3.0
229.14381	1.2
235.13324	2.6
247.13266	2.5
249.14888	1.1
265.07074	6.3
265.14386	1.3
283.08188	9.3
355.22858	1.6
365.20889	1.2
383.22235	4.0
401.23090	3.7
475.27051	5.4
493.27982	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	493.28
Annotation	Mucronine B
Peak:m/z	Relative Intensity
52.01863	1.3
53.03949	7.4
55.01631	1.6
55.01872	13.9
55.05516	41.8
57.03440	13.0
59.04988	4.7
65.03926	2.9
67.05508	47.3
69.03421	5.0
69.07072	12.0
70.18007	1.4
70.18344	5.8
70.19613	1.3
71.01332	2.7
71.04989	11.1
71.74825	1.2
75.58139	1.1
79.05495	55.8
81.03422	80.3
81.07062	55.7
81.41984	1.3
83.01324	6.1
83.04565	2.0
83.04990	26.2
83.08153	2.1
83.08623	33.6
85.02911	32.9
85.06530	4.8
91.04912	1.7
91.05485	53.5
93.07053	56.5
95.04975	37.8
95.08619	23.2
97.02893	5.4
97.06535	10.2
97.10181	10.3
99.04464	2.1
103.05436	1.6
105.04436	1.9
105.07035	39.3
107.04958	17.8
107.08602	21.7
109.02942	1.7
109.06529	15.2
109.10206	8.7
110.49551	1.2
111.04431	6.4
111.08090	13.1
112.84484	1.3
113.05984	4.3
115.05424	3.4
117.07029	18.2
119.04922	2.0
119.08584	31.2
121.02891	1.4
121.06551	6.9
121.10149	18.2
123.04404	1.9
123.08069	10.6
123.11669	1.9
125.06013	1.9
125.09672	6.7
129.07005	14.4
129.24831	1.3
131.04890	2.1
131.07706	2.0
131.08583	19.9
133.06462	4.1
133.10139	11.3
135.04436	1.3
135.08054	4.2
135.11702	18.7
137.09573	3.4
141.06967	2.3
142.07745	2.5
143.08524	3.6
145.06520	2.6
145.10136	21.9
147.08037	4.4
147.11703	15.8
149.09630	9.5
151.11102	2.2
153.09105	1.6
153.12724	7.9
155.08514	2.9
157.10123	13.9
159.07977	2.4
161.05963	1.5
163.09862	2.2
163.11198	34.5
165.09184	1.3
165.12798	2.6
170.26395	1.6
173.09579	4.6
175.11194	15.8
181.12218	6.5
189.11151	3.3
191.10637	6.0
193.12260	67.3
195.11609	1.7
209.11748	12.7
211.13295	62.5
211.15308	3.2
227.12781	10.0
229.14272	2.0
249.14825	3.3
267.15875	3.9
283.15439	4.9
337.21182	1.6
365.20990	2.2
369.24149	2.2
383.22028	6.1
387.25250	1.5
401.23077	3.1
437.28696	1.4
443.27954	2.1
457.25378	1.8
461.28955	4.6
475.26520	7.0
493.27817	100.0
494.28268	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	493.1343
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
53.03937	1.7
55.01884	3.0
55.05515	8.3
57.03429	2.0
57.07048	0.7
61.02929	4.7
65.03930	1.3
65.29860	0.7
67.05178	0.9
67.05508	13.3
69.03419	2.4
69.07063	4.5
70.06593	1.4
71.03928	1.2
71.04988	2.8
72.08147	0.6
73.02917	1.0
79.05067	1.0
79.05493	12.7
81.03417	8.7
81.07053	11.8
83.04988	4.5
83.08631	4.1
85.02911	5.6
85.06532	1.4
91.03936	1.9
91.05488	9.4
93.03392	0.8
93.07049	10.5
95.04971	11.6
95.08602	7.3
97.02872	3.9
97.06516	1.5
97.10186	3.0
99.04432	1.0
103.05455	0.7
105.07041	7.1
107.04965	6.0
107.08598	7.1
109.02890	1.7
109.06525	2.4
109.10169	5.6
111.04441	2.2
111.08060	2.3
117.06998	2.9
119.04944	0.8
119.08595	6.1
121.02879	9.9
121.06496	3.4
121.10146	5.6
123.04440	2.7
123.08044	1.8
123.11713	1.2
125.05963	0.6
125.09669	3.2
129.05571	0.9
129.06979	3.3
131.04898	0.9
131.08574	4.2
133.06497	1.7
133.10144	4.5
135.04453	1.1
135.08044	2.0
135.11716	4.9
137.05978	1.6
137.09613	1.0
139.03934	1.3
139.11154	1.4
140.40118	0.7
143.08571	2.0
145.04968	0.8
145.06514	1.3
145.10155	4.2
147.08043	1.8
147.11687	2.5
149.09616	2.8
151.03928	1.5
151.11205	1.4
153.01825	2.6
153.05495	1.0
155.08571	1.3
157.10098	1.5
159.08029	1.1
159.23947	0.6
161.06023	1.0
161.09586	1.1
162.45264	0.6
163.11212	5.0
167.03423	10.0
168.13843	0.6
173.09578	1.5
173.11865	0.7
173.13315	0.9
175.11159	2.2
175.14772	1.4
179.03387	0.7
181.12260	1.3
183.07942	0.7
183.11729	0.7
185.13252	0.6
189.09363	0.6
189.11206	1.6
189.12738	1.0
191.10686	1.9
193.12274	3.1
193.15883	1.3
197.09663	0.7
201.12810	0.7
205.12186	1.5
207.13751	0.8
209.11797	5.2
211.13326	2.3
211.16895	0.9
215.10577	1.1
217.04887	0.8
217.12206	1.4
223.13379	1.2
227.12750	2.4
229.14255	0.8
231.06433	1.5
232.07260	0.8
235.13326	2.9
242.05743	0.9
243.06566	1.4
245.13829	0.7
247.13283	2.5
249.14874	1.5
259.06049	2.1
260.06766	1.8
265.07288	0.8
267.15897	1.4
271.05920	1.4
273.15045	0.9
283.15405	1.5
287.05576	2.1
288.06290	3.6
299.05518	1.7
316.05795	15.7
321.17184	0.6
331.08127	100.0
332.08511	3.4
337.21713	1.4
355.22604	1.8
363.08105	0.7
365.21063	1.5
373.23642	0.9
383.22107	4.4
401.22910	3.0
419.24136	0.9
450.79059	0.6
457.26047	1.8
475.26938	6.1
493.27887	13.3
493.36023	0.8
493.37698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	5.8
60.85188	2.8
61.64355	2.8
67.05499	6.0
69.03439	15.8
69.07064	6.4
70.06586	3.2
70.35069	7.0
73.02922	3.2
79.05498	5.7
81.03404	5.6
81.07067	22.0
85.02908	25.5
87.00822	10.8
87.04468	10.4
93.07047	16.0
95.08627	3.8
97.02898	10.0
97.06538	3.4
105.01865	7.1
105.07015	8.6
107.08568	6.8
109.02872	5.7
109.06525	6.7
109.10130	3.4
119.08569	4.0
121.10147	26.8
123.08073	3.5
123.11721	65.4
126.13097	3.2
127.03881	15.4
133.10118	11.1
136.07564	2.8
142.35188	3.1
145.04956	4.3
147.11682	11.1
149.09645	24.4
151.11162	25.5
153.01845	4.4
154.12701	3.1
159.02704	3.0
160.07573	4.1
163.03903	6.4
165.12758	11.6
167.10690	66.8
173.13255	3.3
191.14320	12.4
209.15375	15.5
227.16428	100.0
231.04895	3.2
231.75461	2.9
284.98459	2.7
311.75729	3.0
380.60278	3.0
399.93112	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01857	1.6
55.05519	1.5
57.03437	3.4
67.05508	3.0
69.03434	8.4
69.07064	3.8
70.06591	1.8
71.04966	2.1
71.05195	1.2
71.05522	2.0
71.54244	1.3
73.02905	1.4
79.05505	3.1
81.03409	6.4
81.07049	4.5
83.04989	4.0
83.08603	4.0
85.02912	16.6
87.00839	7.1
91.05487	3.2
93.07047	5.4
95.04948	1.5
95.08598	3.8
97.02905	7.8
97.06519	1.8
99.04457	4.4
105.01859	5.8
105.07034	3.0
107.08599	15.1
109.02882	6.3
109.06512	2.2
109.10186	11.6
119.08544	2.2
121.06538	1.5
121.10143	12.3
123.04390	1.8
123.08051	3.6
123.11722	2.2
125.09650	3.8
127.03913	10.6
131.08594	3.7
133.10133	4.9
135.08038	4.1
135.11644	3.2
137.09631	8.0
143.03288	1.5
144.72342	1.5
145.04962	5.1
147.11749	2.7
149.13280	7.3
151.03909	6.4
151.11203	13.0
159.02870	2.0
163.11156	1.7
163.14795	8.3
169.12291	3.4
173.13293	9.3
183.41943	1.3
191.14326	36.5
192.61652	1.5
209.15388	21.8
213.04021	1.4
219.10144	4.4
227.16443	100.0
228.16882	1.9
231.05045	1.6
245.77257	1.4
274.82684	1.5
310.05661	1.4
371.14862	2.3
407.94907	1.5
492.18188	1.6
492.25235	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	492.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01857	1.6
55.05519	1.5
57.03437	3.4
67.05508	3.0
69.03434	8.4
69.07064	3.8
70.06591	1.8
71.04966	2.1
71.05195	1.2
71.05522	2.0
71.54244	1.3
73.02905	1.4
79.05505	3.1
81.03409	6.4
81.07049	4.5
83.04989	4.0
83.08603	4.0
85.02912	16.6
87.00839	7.1
91.05487	3.2
93.07047	5.4
95.04948	1.5
95.08598	3.8
97.02905	7.8
97.06519	1.8
99.04457	4.4
105.01859	5.8
105.07034	3.0
107.08599	15.1
109.02882	6.3
109.06512	2.2
109.10186	11.6
119.08544	2.2
121.06538	1.5
121.10143	12.3
123.04390	1.8
123.08051	3.6
123.11722	2.2
125.09650	3.8
127.03913	10.6
131.08594	3.7
133.10133	4.9
135.08038	4.1
135.11644	3.2
137.09631	8.0
143.03288	1.5
144.72342	1.5
145.04962	5.1
147.11749	2.7
149.13280	7.3
151.03909	6.4
151.11203	13.0
159.02870	2.0
163.11156	1.7
163.14795	8.3
169.12291	3.4
173.13293	9.3
183.41943	1.3
191.14326	36.5
192.61652	1.5
209.15388	21.8
213.04021	1.4
219.10144	4.4
227.16443	100.0
228.16882	1.9
231.05045	1.6
245.77257	1.4
274.82684	1.5
310.05661	1.4
371.14862	2.3
407.94907	1.5
492.18188	1.6
492.25235	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	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
55.01855	4.2
55.05507	6.0
57.03427	4.8
57.07068	3.3
58.52389	1.9
61.02922	3.7
66.87103	2.2
67.05486	4.1
69.03432	19.0
69.07060	2.7
71.04982	6.2
71.35663	2.7
73.02897	3.5
79.05479	3.5
81.03426	15.0
81.07069	13.0
83.08602	5.9
85.02911	46.2
85.06537	3.5
87.00837	22.3
89.66255	2.1
91.05469	5.0
93.07035	9.1
95.04968	20.2
95.08601	11.0
96.38870	2.3
97.02901	17.0
97.06540	17.3
99.04446	8.0
99.08100	3.5
105.01865	19.0
105.07045	17.6
107.08584	15.3
109.02874	13.8
109.06526	32.4
109.10138	7.5
111.08081	3.9
113.09634	2.5
115.07546	7.0
119.08564	10.3
121.10145	21.5
122.22763	2.3
123.08096	5.5
123.11687	3.3
124.03963	6.7
125.09597	3.0
127.03940	22.1
127.07566	2.4
129.01868	2.4
131.08607	15.2
133.10143	66.0
135.08057	7.9
135.11705	5.9
138.05423	3.4
139.11224	2.8
143.08577	2.5
145.04951	8.4
145.10089	4.1
147.11684	28.5
149.09612	2.2
149.13300	4.2
153.09131	17.2
158.10886	3.1
159.02904	5.5
163.11215	3.0
163.14859	4.3
164.39378	2.2
165.12759	6.0
171.10178	4.9
173.13283	31.1
191.14333	45.1
209.15373	87.5
209.17371	4.4
210.15581	2.6
227.16434	100.0
231.05020	3.7
265.63553	2.2
268.08118	2.8
286.08951	3.9
376.40128	2.1
407.10583	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	491.3005
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03943	6.2
55.01867	11.6
55.05510	35.1
56.98490	2.8
57.03436	6.9
67.05507	50.8
69.03432	4.4
69.07076	21.3
70.17867	9.3
71.05003	21.2
71.77949	2.7
79.05068	6.0
79.05498	71.0
81.03418	13.0
81.07062	45.4
83.04974	14.6
83.08655	17.3
83.09051	3.1
85.06558	6.2
91.05482	37.4
93.07045	49.2
95.04968	34.7
95.08617	26.6
96.77113	2.9
97.06531	10.7
97.10189	19.9
99.81103	2.7
103.05502	4.3
103.09255	2.9
105.07025	29.6
107.04956	54.2
107.08591	27.5
109.06535	28.2
109.10161	15.1
111.08065	8.2
115.05457	4.2
117.07064	21.4
119.08596	17.1
121.06493	41.3
121.07283	4.7
121.10154	29.1
123.08118	8.4
123.11728	8.2
125.09648	19.3
129.06989	9.3
131.04965	7.9
131.08597	30.1
131.30098	3.2
133.06491	8.1
133.10147	12.2
135.08080	12.1
135.11714	6.7
137.05957	3.6
137.09619	4.9
139.11197	4.2
141.06995	4.4
143.08540	7.8
145.06505	15.2
145.10098	14.3
147.08075	14.6
147.11768	4.2
149.09659	11.2
153.09056	4.0
155.08565	5.2
157.06471	4.0
157.10124	7.1
159.08031	5.9
159.11682	5.0
161.05968	4.7
161.09650	7.3
163.11220	5.5
165.09117	8.6
167.10728	5.8
171.08034	6.7
171.10294	3.3
171.11676	7.7
173.09656	6.0
173.13229	7.5
175.07541	5.1
175.11218	5.5
177.12781	3.7
183.11856	3.0
187.11266	4.8
189.11253	7.8
189.12749	4.2
191.14360	10.6
192.40332	3.0
193.12251	9.3
195.11792	3.6
199.11359	4.0
199.13289	7.8
209.11725	4.4
215.14322	5.6
219.13748	18.3
225.12810	3.6
227.12708	6.3
233.15274	6.9
249.14912	5.9
273.14853	6.9
275.16489	9.2
339.23227	5.2
349.21606	13.8
357.24329	8.0
367.22696	39.2
385.23825	46.1
403.24887	5.6
417.26566	7.4
441.26288	6.5
459.27417	100.0
473.28928	8.8
491.30310	99.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.4
55.05511	7.4
57.03422	5.5
61.02916	5.8
67.05490	14.1
69.03441	37.0
69.07061	4.6
69.26149	3.8
71.04994	9.0
71.50314	4.0
72.08136	4.9
79.05486	12.4
81.03420	19.1
81.07048	11.9
83.04984	14.2
83.08615	6.5
85.02444	5.7
85.02914	75.6
87.00839	34.7
89.00301	3.4
91.05468	13.2
93.07026	14.2
93.12369	4.9
93.60493	3.4
95.04984	4.4
95.08604	14.2
97.02895	31.5
97.06536	26.2
99.04454	14.5
105.01873	50.0
105.07027	10.6
107.08603	71.7
108.08131	4.8
109.02892	27.3
109.10166	12.2
109.94250	3.7
111.08042	8.3
118.84196	3.5
119.08584	6.8
121.06504	4.8
121.10167	27.4
125.09634	8.0
127.03920	49.2
131.08551	6.4
133.10124	34.0
135.11688	10.4
137.09599	16.0
142.08670	5.2
145.04927	17.1
147.11684	8.3
149.13277	12.1
151.11172	10.8
153.01846	7.7
153.09102	13.1
154.08650	5.9
159.02824	7.6
160.07541	4.7
163.14809	8.0
173.13274	9.8
174.17583	3.6
178.08701	5.1
183.31226	3.7
191.14317	100.0
191.16049	5.1
209.15410	42.5
213.03926	4.5
224.10159	4.0
227.16519	20.9
231.05023	20.6
249.06038	6.5
288.39865	4.0
438.28354	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	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32841	2.5
53.03935	3.9
55.01874	5.3
55.05502	5.8
57.03426	8.5
61.02940	4.8
67.05514	5.2
69.03440	25.1
69.07046	5.2
70.06579	2.9
71.04985	6.7
71.51711	4.7
73.02914	3.1
79.05488	7.6
81.03436	20.6
81.07060	12.6
83.08600	5.4
84.42836	2.6
85.02435	4.6
85.02911	57.5
85.06533	3.7
86.81754	2.7
87.00834	24.5
89.03900	4.3
90.48402	2.8
91.05473	8.1
93.07047	14.8
95.04980	14.3
95.08611	12.9
96.04499	3.5
96.38515	2.4
97.02907	21.1
97.06536	19.6
99.04456	13.8
105.01879	20.2
105.07030	25.1
107.08599	18.7
109.02878	13.8
109.06516	33.8
109.10192	13.7
111.08073	3.6
112.02200	2.3
115.07555	10.0
117.03388	8.5
117.97189	2.5
118.03711	3.6
119.08596	12.2
121.02884	2.4
121.06450	2.9
121.10139	41.1
123.08047	10.5
123.11682	6.6
126.05492	5.6
127.03937	32.2
130.21042	2.3
131.08563	13.1
133.10136	55.6
135.08064	7.9
135.11676	7.5
137.09662	4.3
138.05490	15.3
139.05794	3.4
139.11232	5.2
141.09088	3.5
145.02856	13.2
145.04929	13.8
145.10120	5.3
146.03180	7.9
147.11697	27.4
149.05980	3.6
149.09639	3.1
149.13266	4.7
150.88606	2.6
151.11218	6.2
153.01823	19.4
153.09132	16.6
154.02155	8.0
158.10883	4.0
159.02846	6.5
163.11177	4.4
163.14833	6.0
165.12788	7.2
173.13274	27.7
175.14862	3.4
177.05423	21.3
178.05791	10.3
191.14317	48.9
209.15375	87.1
209.17384	4.5
227.16432	100.0
231.05051	6.8
237.77774	2.6
301.30643	2.5
358.98245	2.5
473.53162	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	491.3006
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03939	9.7
55.01879	14.7
55.05514	39.6
57.03447	15.4
59.04973	3.9
65.03935	4.5
67.05508	72.2
69.03421	5.3
69.07071	21.9
70.46238	10.1
71.04984	9.9
77.03925	3.8
79.05497	86.1
79.08183	2.9
81.03422	66.5
81.07058	85.7
83.04978	24.5
83.08622	24.7
83.52559	3.0
85.02905	11.4
91.05486	100.0
93.07052	74.3
95.04982	33.0
95.08048	4.6
95.08611	43.3
97.02877	4.6
97.06531	12.2
97.10179	16.1
103.05467	4.0
105.04534	5.9
105.07037	58.5
107.04946	23.1
107.08600	37.9
109.02876	6.5
109.06517	10.7
109.10188	14.7
111.04478	4.0
111.08093	9.0
115.05438	5.6
116.65852	3.5
117.07040	28.1
119.08575	41.6
121.06506	9.1
121.10153	13.1
123.08081	9.6
123.11722	12.3
125.05933	3.3
125.09635	10.9
128.06203	8.0
129.07002	25.5
131.08571	17.1
133.06482	8.5
133.10133	19.3
135.04459	3.1
135.08066	5.8
135.11694	12.5
143.08533	15.2
145.06474	8.4
145.10153	29.8
147.08058	6.1
147.11691	28.0
149.09669	3.8
151.11136	6.1
153.12656	4.8
155.08614	5.5
157.10135	11.3
159.08034	3.3
161.09593	8.2
161.13274	8.0
163.11192	21.4
165.12729	4.0
169.07895	3.0
169.10129	4.9
169.12268	3.6
171.08096	3.2
171.11684	16.8
175.11186	8.1
181.12274	6.1
187.13321	4.4
189.11281	3.8
189.12813	4.0
191.10710	5.2
193.12242	26.8
194.89690	2.8
207.13857	15.4
209.11691	8.2
211.13206	16.1
214.02394	3.2
219.13779	5.3
227.12697	15.1
243.15942	6.9
249.14857	8.2
261.74976	3.1
267.15988	20.4
281.17426	23.9
299.38284	3.1
305.17563	4.1
363.23001	5.2
381.24371	4.9
399.25455	6.8
455.28137	3.9
473.29150	45.5
491.29892	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	491.3006
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03942	13.5
54.91201	3.0
55.01856	5.1
55.05511	32.8
56.56814	3.0
57.03439	18.2
60.88128	3.1
65.03933	5.8
67.05508	71.8
69.07069	14.9
71.05008	5.1
79.05497	94.9
81.03422	65.2
81.07055	66.0
83.04989	20.1
83.08620	30.6
85.02896	11.3
85.06563	4.3
91.05483	100.0
93.07049	67.1
95.04962	33.9
95.08619	28.6
97.02867	4.3
97.06554	4.8
97.10160	13.7
98.21358	13.3
105.04483	5.8
105.07036	54.3
107.04951	9.3
107.08582	23.9
109.06533	10.3
109.10175	8.9
111.08092	9.5
115.05444	3.8
117.07019	19.2
119.04955	3.6
119.08599	29.1
121.06514	3.3
121.10148	10.1
123.08095	6.4
123.11714	14.0
125.09610	5.4
128.06177	6.0
129.07002	26.9
131.08551	17.3
133.06503	5.8
133.10132	17.2
142.07768	3.9
143.08578	13.4
145.10069	15.3
147.08037	3.7
147.11679	39.1
149.09596	3.8
155.08551	6.9
157.10126	8.6
161.09650	3.4
161.13327	10.8
163.11209	3.2
171.11716	22.6
175.11176	10.0
185.13231	6.5
187.13278	6.3
189.11234	6.6
189.12819	10.7
193.12259	33.1
207.13797	22.3
211.13306	29.5
227.12805	5.1
233.19621	3.7
243.15932	6.2
249.14923	9.1
267.15909	25.9
281.17526	19.0
305.17493	4.7
368.97208	4.5
381.24414	5.7
387.83774	3.2
399.25421	8.3
455.27811	4.1
473.28989	51.9
491.30136	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.0
55.01876	18.4
55.05513	94.1
57.03426	11.4
59.04982	7.1
64.22303	2.9
65.03921	4.9
67.05508	76.8
69.03429	10.0
69.07067	19.1
69.15639	28.9
71.04993	12.5
77.03900	2.9
79.05497	84.9
81.03421	32.4
81.07062	61.8
83.04974	13.4
83.08620	51.0
85.06546	7.6
87.04458	3.1
91.04921	4.2
91.05486	47.7
91.55453	2.9
93.07050	45.9
95.04958	23.0
95.08595	27.4
97.02890	4.1
97.06535	6.4
97.09547	5.6
97.10174	100.0
105.07043	29.8
107.04295	5.3
107.04959	54.0
107.08600	42.6
109.02876	13.1
109.06525	23.9
109.10167	18.4
111.04414	4.3
111.08062	10.5
111.89760	2.9
115.05476	5.6
117.07027	24.2
119.04917	3.9
119.08598	19.5
121.02918	4.6
121.06499	43.4
121.10144	19.1
123.04456	4.4
123.08043	7.9
125.08764	5.7
125.09637	77.7
128.06230	5.2
129.06989	12.5
129.33810	3.3
131.04912	5.4
131.08568	29.6
133.06483	10.4
133.10150	13.9
135.08061	24.0
135.11679	10.6
137.09697	3.4
141.06981	6.6
143.08569	9.3
143.10683	4.0
145.06519	15.6
145.10104	16.5
147.04416	3.3
147.08018	8.6
147.11652	9.5
149.09608	12.5
153.09119	10.7
155.08588	5.1
157.10126	5.2
159.08011	5.3
159.67613	3.1
161.05980	4.5
161.09615	12.9
163.11177	9.4
165.09135	7.2
167.08575	4.0
169.10201	3.1
171.08057	4.3
171.10172	9.6
173.09610	4.9
173.13261	15.2
175.11252	6.9
183.11725	4.4
185.09564	3.4
189.09294	5.7
189.11217	54.0
189.12704	2.7
191.14305	17.8
193.12227	12.4
195.11731	5.1
197.13155	4.7
199.11206	3.8
199.13310	3.7
201.12810	4.9
205.12148	3.3
205.64059	2.9
209.11737	9.3
213.12740	4.6
219.13803	89.6
225.11150	6.5
227.12752	34.6
233.15388	5.3
237.12857	4.5
247.16910	3.6
249.14810	7.2
255.13934	6.0
263.12775	13.0
267.15866	3.7
273.14960	4.9
275.16461	10.3
281.13602	3.4
349.21484	10.4
357.23935	3.3
363.19614	3.5
367.22678	18.4
368.22678	3.4
371.21960	10.4
381.20392	9.8
385.23703	24.1
389.23145	12.5
399.21634	12.1
403.24750	4.7
407.23959	4.1
417.22446	6.0
441.26276	4.3
445.25537	20.7
459.27396	47.7
463.26834	16.6
473.24792	14.8
491.26370	65.5
491.30136	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	491.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.9
55.01880	24.7
55.05515	62.9
57.03437	13.7
57.07059	3.8
59.05007	10.7
60.43121	2.8
65.03954	5.8
67.05511	73.1
68.41358	2.9
69.03445	6.3
69.07084	18.6
71.04999	20.4
71.51443	5.0
79.05496	100.0
81.03425	40.2
81.07061	81.5
83.01345	21.7
83.04987	37.8
83.08619	27.8
85.02898	9.5
85.06538	5.7
91.05483	76.1
91.06019	5.3
93.07051	97.5
95.04971	38.4
95.08614	33.7
97.02896	8.9
97.06527	20.1
97.10171	15.1
99.04465	5.9
103.05467	6.5
105.07035	55.0
107.04967	43.1
107.08604	52.2
109.02903	5.4
109.06522	25.9
109.10139	13.5
111.04451	13.7
111.08078	9.4
117.07021	26.6
119.08595	35.9
121.06490	22.1
121.10157	38.6
123.08059	25.0
123.11685	3.8
125.06025	6.1
125.09639	11.6
127.32965	2.6
129.07027	14.8
130.07837	6.6
131.05005	3.0
131.08569	20.6
133.06480	2.9
133.10161	18.0
135.08058	10.2
135.11699	41.0
137.09639	6.3
143.08528	8.4
145.06456	8.1
145.10133	51.6
147.08035	13.4
147.11693	10.4
149.09581	6.9
151.11208	5.6
153.01996	3.1
153.12770	9.0
155.08591	6.3
157.10176	4.5
159.08092	3.2
161.09583	6.7
163.11197	72.5
165.12692	3.3
171.08025	3.7
171.11736	6.8
173.09639	13.0
175.11288	3.3
181.12222	13.3
189.12791	3.6
191.10664	10.5
191.14305	4.9
193.12312	7.5
207.13889	7.2
209.11758	22.9
209.96179	2.9
219.13815	7.5
227.12657	19.8
247.13293	2.9
273.14893	3.4
289.57925	3.0
330.73651	2.9
349.21600	3.1
367.22638	9.8
385.23688	14.2
425.81998	2.8
459.27521	27.2
473.29254	6.1
491.26486	62.0
496.51703	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.3
55.01879	14.7
55.05514	61.3
57.03408	8.5
57.07076	2.1
59.04984	3.3
62.68995	2.3
65.03914	6.6
67.05505	50.9
69.03433	12.6
69.07064	17.6
69.31937	7.8
69.32373	11.3
71.01347	3.4
71.04964	5.2
73.02890	2.8
74.71900	2.6
79.05494	58.6
81.03419	29.4
81.07059	46.3
83.04936	10.0
83.08624	36.8
85.02878	8.2
85.06487	2.9
90.50335	1.9
91.05484	43.4
93.03375	4.0
93.07047	39.5
95.04984	30.7
95.08614	18.0
97.02847	7.4
97.06472	6.5
97.10174	61.4
99.25742	2.2
101.09613	2.2
103.05424	6.3
105.03330	2.7
105.06400	2.9
105.07030	34.3
107.04320	2.7
107.04955	38.7
107.07903	3.1
107.08588	44.0
109.02821	9.7
109.06516	16.7
109.10169	22.3
111.04417	3.5
111.08035	6.4
115.05372	3.8
117.07029	18.5
119.04931	3.9
119.08591	20.7
121.02864	22.4
121.06506	24.5
121.10131	12.4
123.04379	8.7
123.07993	6.4
123.11677	3.4
125.09641	52.7
126.85269	2.2
127.03782	3.0
128.06142	4.0
129.07042	11.9
131.04913	15.7
131.08582	20.4
133.06435	7.2
133.10141	18.3
135.04323	7.0
135.08055	13.7
135.11633	8.3
137.05922	3.1
137.09608	3.6
141.06953	2.2
142.07703	4.0
143.08487	5.7
143.10663	3.8
145.06413	7.0
145.10153	11.7
147.04335	3.4
147.07973	6.7
147.11624	7.2
149.05923	4.8
149.09554	8.5
151.11153	3.8
153.09012	8.1
155.08543	3.7
157.10097	10.8
159.07950	5.4
159.11621	5.9
161.05966	2.3
161.09607	15.6
163.07390	2.5
163.11127	15.2
165.07004	3.3
165.09053	2.6
167.08484	3.5
169.10156	2.2
171.07942	2.9
171.10104	6.9
171.11591	4.0
173.09589	4.5
173.13167	7.5
175.11099	7.5
177.05446	2.6
179.10678	5.3
181.10039	2.1
181.12158	4.8
183.11581	7.2
185.09535	3.5
189.09239	4.3
189.11227	30.9
189.12775	4.4
191.10628	3.9
191.14229	8.1
193.12247	30.3
198.35320	2.4
199.11128	3.1
199.13110	3.8
201.12637	8.9
203.10567	8.5
205.12135	2.5
209.11566	7.1
211.11244	5.0
219.11865	3.7
219.13814	56.0
221.11699	5.3
225.11179	4.7
227.12758	36.5
227.88515	2.3
229.12112	6.7
235.13176	3.2
247.10869	2.5
247.13297	35.6
249.14857	2.5
256.33905	2.0
263.12842	11.6
265.14099	2.7
273.14743	3.4
275.16492	3.6
281.13763	2.6
319.15280	4.9
335.19897	3.7
353.20789	8.0
367.22366	6.0
371.22009	9.2
381.20456	12.9
385.23407	6.3
389.22894	9.1
399.21420	11.4
417.22391	6.3
445.25919	11.2
447.27075	2.5
459.27463	12.5
463.26813	10.1
473.25070	18.1
491.26019	100.0
492.26559	4.2
494.48181	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.0
54.96134	2.4
55.05523	4.2
59.05000	15.5
60.55339	2.9
69.03419	7.9
70.06594	9.1
71.02287	6.1
71.04994	5.5
79.05505	3.9
81.03444	4.8
81.07059	16.1
81.87542	2.8
84.83724	2.5
85.02911	23.3
87.00845	7.5
89.06018	12.3
91.05489	11.7
93.07059	5.9
95.04961	3.6
95.08612	3.6
97.02885	5.5
99.04456	6.5
99.08093	4.8
103.07600	12.3
105.01843	7.9
105.07047	15.5
107.08588	10.9
109.02882	10.2
109.06528	3.8
109.10163	6.6
119.08578	21.3
121.10149	5.7
123.08042	4.6
123.11723	3.8
127.03922	16.7
131.08580	5.9
133.06508	5.7
133.08597	4.7
133.10146	6.0
145.10107	15.4
147.08081	2.8
147.10193	6.0
147.11703	25.9
149.09644	4.5
151.07507	4.1
151.11218	4.6
153.01880	8.2
156.09366	5.5
159.02876	4.3
159.08124	2.9
161.13249	6.2
165.12814	7.7
166.08553	2.9
171.11710	7.6
177.11179	2.9
177.72139	2.6
189.12752	100.0
207.09605	27.6
207.13849	35.5
225.14958	16.3
231.04965	5.6
455.19351	3.7
490.21011	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	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55532	2.9
53.03936	7.1
54.99913	3.5
55.01874	6.1
55.05508	3.8
57.03432	4.4
59.04990	3.9
61.79065	3.9
67.05529	4.2
69.03433	32.1
69.07065	8.5
70.63065	5.4
70.63395	5.3
71.05014	6.9
75.74438	3.2
79.05492	7.7
80.81794	3.9
81.03425	25.7
81.07068	10.6
81.75739	3.2
83.04987	9.0
83.08623	4.0
85.02911	72.8
87.00835	31.6
91.05505	8.4
93.07034	19.7
95.04988	6.4
95.08606	9.6
97.02889	23.6
97.06523	7.1
99.04466	15.8
105.01884	30.4
105.07050	15.0
107.08594	16.2
109.02901	45.5
109.06516	8.8
109.10168	8.1
111.04448	3.6
111.08083	7.1
119.08606	22.7
121.06542	3.2
121.10167	10.5
123.08075	30.4
127.03925	66.9
127.76624	3.9
133.10236	8.3
137.09660	5.3
139.11157	7.8
145.04982	24.4
147.11687	13.9
149.09642	7.6
151.11201	29.6
159.02895	13.8
161.09618	5.8
161.13271	16.2
162.05513	38.0
165.09142	4.4
177.12758	5.6
189.12816	23.7
189.35394	3.9
207.10365	6.2
207.13826	67.6
213.03961	9.4
223.13292	8.1
225.11374	7.2
225.14870	100.0
231.05046	26.8
231.07133	4.4
249.06111	8.6
315.16025	4.5
333.17001	13.8
348.69052	3.5
411.20261	6.3
437.18179	27.3
455.19177	33.5
473.20328	23.3
490.22815	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03933	3.6
55.01862	1.4
55.05513	22.0
57.03440	6.2
57.07080	2.2
59.04991	3.8
64.75845	1.1
65.03932	1.9
67.05509	75.6
69.03423	1.3
69.07068	17.7
71.04987	3.4
79.05500	34.0
81.07059	39.8
83.04961	1.5
83.08624	9.5
85.06539	2.2
91.05483	30.7
91.77060	1.2
93.07046	38.5
95.04968	3.0
95.08613	29.8
97.06534	4.8
97.10206	5.8
98.21470	2.8
105.04527	1.6
105.07035	25.9
107.08585	20.1
109.06504	2.9
109.10165	45.9
111.08103	3.1
111.11669	1.3
115.05473	1.3
117.07007	8.8
117.28234	1.2
119.08590	31.8
121.06475	1.6
121.10152	16.5
123.08064	2.1
123.11740	1.6
125.09631	3.6
129.07002	5.0
131.08588	16.1
133.10133	17.8
135.11690	13.8
137.09641	2.2
139.11154	2.7
139.93782	1.3
142.07799	1.5
143.08580	6.8
145.10143	16.5
147.11707	13.0
149.09637	1.6
149.13260	4.3
155.08566	2.6
155.10672	4.7
157.10152	6.1
159.11696	12.0
161.13271	7.0
163.14838	2.8
169.10179	2.6
171.10495	1.3
171.11674	7.0
173.11752	10.3
173.13284	11.1
175.14851	1.8
183.11691	2.4
185.13318	5.8
187.14835	4.4
189.16376	1.9
189.23778	1.3
195.11708	1.9
197.13280	3.5
199.14851	3.4
201.16339	2.8
211.14738	1.6
213.14778	2.8
213.16568	1.7
225.16338	1.3
231.94139	1.3
241.19600	2.1
243.21114	2.8
253.19507	1.4
259.20700	2.1
261.22220	4.2
270.81110	1.3
271.20819	1.7
273.21985	1.4
285.22247	3.4
289.21616	2.3
293.15338	1.2
299.23593	2.1
317.24603	1.4
377.26883	3.1
378.61777	1.4
379.30023	9.8
391.28601	2.4
397.31085	18.4
415.32184	4.2
453.33868	1.4
471.34705	14.1
489.35800	100.0
490.36246	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
51.02397	1.2
53.03939	2.5
55.01871	2.1
55.05278	1.3
55.05513	18.9
57.03430	3.5
57.07071	3.6
59.05005	1.6
65.03941	2.7
65.23336	1.2
67.05506	70.6
69.07070	14.1
69.49516	2.0
69.49918	7.5
71.04980	2.5
79.05067	2.6
79.05497	33.9
81.07062	37.6
83.04994	2.7
83.08607	9.0
85.06537	2.4
87.04473	1.6
91.05484	28.1
93.06483	2.4
93.07046	34.7
95.04977	3.1
95.08608	25.8
97.06522	3.3
97.10189	4.2
97.40466	1.3
98.21555	2.6
105.07030	23.5
107.08588	17.1
109.10159	38.3
111.08039	3.2
115.05512	1.7
117.07012	9.5
119.08588	31.2
120.79700	1.3
121.10149	16.7
123.08015	1.6
123.11687	2.5
125.09634	2.9
129.07019	5.8
131.08569	20.5
133.10141	19.2
135.08076	1.6
135.11694	9.7
137.09668	2.0
137.13397	1.6
139.11200	1.8
141.06982	3.4
143.08545	8.6
145.10120	18.0
147.11705	12.4
149.13252	4.7
155.08585	2.6
155.10666	2.8
157.10147	5.7
159.03702	1.3
159.11708	12.3
161.09625	1.3
161.13237	7.1
163.14951	1.7
169.10168	3.8
171.11661	6.5
173.11763	7.3
173.13307	8.0
175.14908	3.6
183.11685	3.1
185.13324	4.4
187.14893	5.2
189.16432	1.4
195.11905	1.7
197.13335	2.6
199.14870	3.6
201.16354	2.3
209.13307	1.6
211.14977	2.4
213.14771	1.9
225.16249	1.8
227.18037	2.4
241.19576	1.9
243.21071	2.3
257.19064	2.0
261.22150	3.3
267.21210	2.7
271.20624	2.0
299.23730	2.6
311.24210	1.5
317.24927	2.0
360.52872	1.3
377.26849	4.1
379.29880	9.4
391.28604	2.2
397.31046	18.2
415.32202	6.2
471.34921	12.2
489.35849	100.0
490.36218	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	489.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.6
55.01862	1.9
55.05517	16.9
57.03433	3.0
57.07065	2.2
59.04996	3.1
65.03941	3.6
67.05510	100.0
69.03442	1.8
69.07072	11.7
70.79963	0.9
71.04999	3.5
77.03931	1.1
79.05496	31.2
81.03419	3.0
81.06587	2.1
81.07065	36.6
83.04983	2.6
83.08635	9.0
85.06548	2.7
91.05489	27.8
93.07050	36.6
95.04964	5.3
95.08618	22.8
97.06526	1.2
97.10168	2.6
105.04580	1.3
105.07040	16.5
105.07694	1.5
107.04961	2.2
107.08606	17.2
109.06541	1.1
109.10165	60.5
111.08093	2.9
111.11668	0.9
117.07040	5.2
119.08585	16.6
121.06564	1.5
121.10156	14.7
123.08133	1.1
123.11723	2.5
125.09685	2.1
127.11248	0.9
129.07048	3.3
131.04912	1.1
131.08585	10.2
133.06514	1.2
133.10156	10.5
135.08092	1.4
135.11703	9.4
137.09647	3.0
143.08650	2.3
145.10143	8.1
147.11673	7.5
149.09651	1.2
149.13300	3.6
150.86473	1.0
155.08542	1.0
155.10710	3.9
157.10178	3.0
159.11691	6.7
161.13298	3.5
163.11191	2.1
163.14845	1.2
169.10214	1.7
171.11780	1.9
173.11781	14.8
173.13293	3.9
177.16582	0.9
183.11862	1.0
185.13322	1.3
187.14836	2.4
193.01671	1.0
193.12245	1.1
197.13254	2.3
199.14928	1.3
209.58284	1.0
211.14734	0.9
243.21205	1.0
261.22211	3.6
297.75183	0.8
317.24985	1.1
379.30048	2.6
397.30991	4.7
415.32382	1.3
471.34848	3.7
489.35895	60.7
490.36624	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	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.8
67.05511	8.5
69.03428	5.6
69.07078	4.2
71.00120	4.0
72.08140	2.1
81.03426	2.4
81.07054	8.0
83.04970	2.7
83.75922	1.8
85.02908	4.8
91.05532	2.6
93.07039	2.9
95.04966	3.7
95.08608	6.4
97.02902	7.3
99.04453	4.6
105.07050	3.2
107.08586	7.8
107.90162	1.9
109.02827	2.2
109.06525	6.7
109.10168	100.0
110.10471	2.5
119.08572	7.7
121.10148	3.3
123.08059	5.6
123.11687	3.4
127.25269	1.7
132.26344	2.0
133.10150	4.0
135.11729	15.5
137.09624	4.8
149.09648	4.4
151.07559	15.2
153.01848	16.3
154.02174	7.9
163.11191	4.8
165.12738	10.8
167.10703	2.7
175.14842	8.1
189.12738	3.7
193.15848	15.0
207.13823	41.4
211.16908	14.0
225.14873	4.1
287.05536	7.4
490.23233	3.7
504.12860	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	490.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
53.46031	0.6
55.05518	0.8
56.05032	1.4
60.04514	1.7
61.02945	0.7
67.05495	0.6
68.05020	1.1
69.03439	3.2
69.79809	1.1
69.80225	2.6
70.06599	0.8
71.05003	0.8
80.05025	0.7
81.03421	3.6
82.06579	1.1
84.04509	14.5
95.08629	1.2
96.04503	19.9
97.02906	4.4
98.06065	8.9
98.21452	0.5
99.04448	2.1
108.04482	0.9
109.02900	5.5
113.17897	0.5
114.05550	0.9
121.02890	0.7
126.05527	26.4
127.03920	2.0
131.04416	0.6
138.05511	100.0
139.05840	1.3
144.06573	24.1
150.31648	0.6
153.01868	1.5
164.72862	0.6
167.98814	0.6
168.06569	24.2
174.70531	0.6
186.07637	24.0
204.08687	29.2
207.13849	0.8
233.56886	0.5
287.05539	18.4
350.28912	0.5
365.58643	0.6
511.28018	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41289	1.6
51.02371	2.2
53.03755	1.3
53.03949	14.4
55.01878	12.1
55.05515	37.1
56.15649	1.5
57.03444	6.7
57.07082	2.0
59.04988	4.6
62.43734	1.3
65.03933	4.7
67.05508	65.0
69.03412	3.3
69.07066	16.0
70.07862	6.3
71.05003	7.8
77.03937	2.6
77.62769	1.3
79.05497	100.0
79.42314	1.2
81.02990	2.0
81.03423	27.2
81.07060	65.8
83.01325	7.3
83.04984	24.3
83.08626	15.0
85.02910	4.4
85.06528	4.7
91.05486	85.2
92.05811	1.4
93.07050	82.6
95.04986	28.2
95.08617	37.8
97.02863	4.4
97.06534	10.2
97.10147	6.3
99.04453	3.0
103.05453	4.1
105.04522	5.7
105.07040	51.7
107.04958	21.4
107.08598	31.6
109.06522	15.2
109.10174	7.0
111.04459	2.8
111.08066	4.4
115.05443	3.9
117.07029	22.0
119.08591	35.2
119.78745	1.7
121.06516	8.5
121.10149	10.8
123.04449	2.1
123.08075	14.4
125.05942	2.3
125.09641	5.4
128.06200	5.6
129.07013	17.3
130.07787	3.4
131.08601	8.8
133.06535	3.2
133.10139	15.8
135.08047	3.5
135.11678	13.7
137.09618	3.0
139.07408	1.6
139.11220	1.8
141.06947	1.6
141.09029	1.5
143.08521	9.4
145.06453	2.6
145.10136	29.4
147.08026	4.3
147.10518	2.3
147.11690	36.5
149.09595	1.3
153.12727	5.3
154.96376	1.3
155.08577	3.8
157.10121	2.0
159.00200	1.4
159.11653	2.1
161.09610	5.9
161.13275	10.6
163.11198	30.3
169.93082	1.4
171.11699	27.1
173.09610	4.6
181.12231	5.2
184.07439	1.3
189.12744	12.7
191.10625	3.5
197.12917	1.8
201.72832	1.3
207.11909	2.3
207.13800	27.6
209.11702	5.6
221.15453	1.5
225.14848	2.9
227.12724	8.2
279.15710	1.6
281.17477	2.6
316.16666	1.5
361.92841	1.7
371.97922	1.4
397.27698	1.5
432.60818	1.6
471.27322	6.2
489.28323	60.4
490.28812	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	489.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
53.39997	1.0
53.59478	1.2
54.96086	1.1
55.01876	1.4
55.05514	21.9
57.03440	3.9
57.07067	3.0
59.04997	3.0
63.10033	1.1
65.03944	3.4
67.05507	100.0
69.03401	1.5
69.07076	14.8
69.23412	1.1
71.04997	3.1
79.05495	36.1
81.03401	1.8
81.07060	41.8
83.04984	2.8
83.08626	8.4
84.11356	1.1
84.79052	1.1
85.06567	3.1
89.06075	1.5
91.05481	32.4
93.07047	40.8
95.04967	3.5
95.08613	28.6
97.06536	3.8
97.10175	3.6
98.20789	2.9
98.55767	1.5
99.08113	1.4
105.07035	20.5
107.04934	1.2
107.08595	21.1
109.06517	2.0
109.10161	55.1
111.08078	4.1
117.07055	9.7
118.32601	1.1
118.58290	1.2
119.08583	21.2
121.10147	16.7
123.08064	1.5
123.11738	2.4
125.09590	1.7
129.07011	4.0
130.37656	1.3
131.08569	14.6
133.10133	14.6
135.08034	2.1
135.11694	9.8
137.09627	4.1
139.11134	1.2
142.07832	1.5
143.08578	4.7
145.10146	16.4
147.11702	11.4
149.13275	3.8
155.08603	2.7
155.10695	4.3
157.10139	6.3
159.11720	10.0
161.13264	6.0
163.14841	1.6
169.10146	1.6
171.11726	4.7
173.11768	16.8
173.13297	8.0
175.14874	3.2
179.14247	1.2
183.11795	1.8
185.13272	2.6
187.14844	4.4
189.16425	2.3
195.61162	1.3
196.66092	1.3
197.13309	1.8
199.14911	1.9
201.16396	1.4
211.14967	2.0
213.14908	2.7
224.35228	1.2
229.14552	1.6
241.19664	1.7
243.20869	1.3
245.19188	1.4
248.14063	1.4
259.20737	1.7
261.22192	3.8
285.22107	1.4
299.23682	2.8
317.24863	2.1
377.27032	2.0
379.29974	7.9
397.31116	10.5
415.32153	3.2
471.34998	8.5
489.35818	91.8
490.36032	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
51.02380	0.7
53.03942	0.3
55.01876	0.3
55.05505	0.6
56.29481	0.2
67.05508	1.2
68.99781	0.2
69.03414	0.6
69.07069	0.6
69.47617	1.0
79.01858	4.0
79.05488	0.4
81.03426	2.0
81.07064	1.4
83.04990	0.9
83.08617	0.3
91.05453	0.5
93.07047	0.9
95.04953	0.2
95.08607	1.4
97.02884	1.1
99.08128	0.2
105.07047	0.7
107.01348	0.9
107.08598	0.9
109.02883	4.6
109.06508	0.7
109.10159	4.1
111.08068	0.4
117.07036	0.2
119.08586	1.9
121.02831	0.3
121.10148	0.7
123.00826	0.2
123.08067	1.3
123.11702	0.3
125.02341	2.2
125.09586	0.2
126.29922	0.1
127.03928	0.5
131.04906	0.3
131.08533	0.2
133.10182	0.9
135.08061	0.2
135.11703	4.0
135.12724	0.3
137.09625	0.8
143.03401	4.6
149.06075	0.2
149.13263	0.2
151.11209	0.6
151.14838	0.5
153.01837	100.0
153.02878	5.3
154.02174	1.3
159.04411	0.6
163.03989	0.3
165.01900	0.2
175.14810	1.8
177.05478	0.3
181.01350	0.8
183.02861	0.4
187.03966	0.5
189.05562	0.2
189.12845	0.2
193.15897	4.2
205.04973	1.0
211.16936	0.9
215.03394	0.5
217.04980	0.7
233.04471	2.3
243.02887	0.8
261.03970	1.5
279.05008	3.4
309.02588	0.2
323.83691	0.2
357.18829	0.6
479.45401	0.2
489.23062	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	489.231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.3
51.02377	0.7
53.03943	0.5
55.01871	0.3
55.05504	0.6
60.87357	0.2
61.58228	0.1
67.05511	1.2
69.03418	0.6
69.07065	0.7
71.05013	0.2
71.50381	0.2
71.50861	0.2
79.01860	4.4
79.05508	0.3
81.03423	2.2
81.07069	1.1
83.04984	0.8
83.08633	0.4
85.02901	0.3
85.06555	0.2
91.05477	0.6
93.07042	0.7
95.05006	0.2
95.08633	1.3
97.02912	1.3
99.04456	0.3
105.07014	0.8
107.01338	0.9
107.08602	1.1
109.02887	4.5
109.06520	0.6
109.10171	4.6
111.08138	0.2
117.06981	0.2
119.04919	0.2
119.08588	2.2
121.02842	0.4
121.10180	1.0
123.00859	0.2
123.08081	1.5
123.11738	0.6
125.02359	2.6
125.09624	0.3
127.03879	0.3
131.04974	0.5
133.10120	1.2
135.11710	4.0
135.12726	0.3
137.02350	0.2
137.09631	1.0
140.67389	0.2
143.03424	4.5
147.04414	0.3
149.09563	0.2
149.13312	0.3
151.11195	0.7
151.14841	0.4
153.01840	100.0
153.02853	5.3
154.02171	1.3
159.04425	0.9
162.05402	0.2
163.03957	0.4
165.12845	0.2
175.14835	1.4
177.05490	0.4
181.01366	0.6
183.02945	0.4
185.09502	0.2
187.03951	0.5
189.12834	0.3
193.15903	4.4
193.17686	0.3
205.05017	1.0
211.15164	0.2
211.16884	1.0
215.03505	0.4
217.05014	0.5
227.23737	0.2
233.04482	1.9
243.02934	0.8
261.03940	1.6
263.34460	0.2
279.05035	2.9
279.07819	0.3
292.37613	0.2
303.89774	0.2
306.93558	0.2
315.95560	0.2
319.19113	0.2
323.81891	0.2
337.20367	0.3
357.18896	1.8
489.23093	19.4
490.23434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1947
Annotation	Rutaevin
Peak:m/z	Relative Intensity
50.70388	1.9
55.05504	2.6
56.96566	3.1
62.18467	1.9
67.05493	6.2
67.92966	1.9
69.03423	4.9
69.07059	8.2
71.04971	2.2
71.52077	2.9
76.02216	3.6
79.05507	4.0
81.03415	3.8
81.07067	18.0
82.07378	1.9
83.08652	2.1
85.02892	3.9
91.05491	5.5
93.07048	7.1
95.04972	4.7
95.08609	9.0
98.97589	28.9
105.07029	7.3
107.08601	6.7
109.02871	2.0
109.10155	5.4
110.97588	2.9
115.68348	1.8
116.98631	5.8
119.08576	8.7
121.10170	6.1
123.11705	2.4
125.09683	2.8
128.98584	3.0
133.10127	5.8
135.08038	2.4
135.11699	4.3
140.98553	3.3
143.00154	3.9
145.10199	2.7
147.11719	2.9
149.09630	3.2
155.00177	2.1
158.99667	7.9
161.01318	2.6
161.13272	3.7
163.11197	2.2
165.09245	2.7
175.11156	4.0
175.14879	2.9
177.00748	4.5
179.04875	6.1
179.14272	1.9
180.04930	2.1
194.87111	1.8
219.01842	3.2
249.02609	3.0
291.03961	15.2
292.04785	2.0
307.08105	1.9
309.05023	4.7
314.95499	1.8
317.89471	1.9
355.14014	4.5
357.43973	1.8
487.19360	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	488.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.01885	1.1
55.05514	1.0
67.05510	0.7
69.03430	2.5
69.07066	0.5
70.06548	0.4
71.04993	0.7
71.42495	0.7
77.03973	0.5
79.05499	1.7
81.03429	1.7
81.07064	0.9
83.04989	2.2
85.02921	2.9
87.00826	1.2
91.05482	3.4
93.07050	2.9
95.04974	1.7
95.08627	0.9
97.02892	1.3
105.01894	0.9
105.04530	0.5
105.07021	1.9
107.04960	7.1
107.08611	1.2
108.05732	0.8
109.02882	1.7
109.06521	3.7
111.04448	1.1
117.07011	0.9
119.08578	1.7
121.06514	100.0
121.10122	2.2
122.06836	1.8
123.04443	4.4
123.08087	1.0
125.05997	4.4
127.03918	2.0
133.06522	0.5
133.10118	0.7
135.08057	1.1
135.11722	0.6
145.04955	0.9
145.10118	1.8
147.08130	0.9
149.05981	8.0
159.08035	0.5
159.11693	0.9
163.11191	47.5
164.11516	1.1
167.05667	0.6
167.07057	9.2
172.08841	1.2
175.91115	0.4
177.12695	0.4
183.06670	0.6
187.11201	2.4
190.09837	0.5
205.12254	76.5
206.12665	1.6
207.13747	0.5
213.03955	0.4
221.11745	0.9
223.13322	2.9
231.05067	0.5
265.14200	0.4
334.98190	0.4
355.10233	0.4
397.11218	1.7
435.16397	1.3
453.17529	2.7
471.18677	7.6
488.21091	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.1
53.03941	0.1
55.01874	0.1
55.05518	0.7
55.65904	0.1
57.03426	0.2
57.07078	0.4
65.03940	1.3
67.05505	0.4
69.03438	0.3
69.07066	0.2
71.04999	0.2
77.03953	0.1
78.04713	0.5
79.05503	0.8
81.03420	0.6
81.07051	0.4
83.04996	0.1
83.72357	0.1
85.02909	0.2
85.06553	0.4
87.04482	0.1
91.05486	52.3
92.05820	0.6
93.07040	0.5
95.04965	0.2
95.08622	0.2
97.02893	0.2
103.05442	0.6
104.06254	4.2
105.07037	10.5
107.08624	0.2
109.06542	0.1
111.08086	0.5
115.05456	0.1
117.07050	0.3
117.17755	0.1
118.07813	0.2
123.08049	0.5
125.09618	0.2
127.07590	0.3
129.07005	0.2
131.08540	0.7
133.10136	100.0
134.10474	1.5
137.09627	0.1
147.08063	2.9
147.09204	0.2
149.09651	0.9
151.07610	0.1
153.09116	0.3
169.08597	0.2
171.10191	0.5
171.11469	0.1
189.11205	0.2
229.05231	0.1
267.83484	0.1
485.47348	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	486.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.8
55.05518	8.6
56.05032	1.2
57.03431	1.8
57.07068	1.9
58.06607	0.9
58.29913	0.8
58.99594	13.2
65.03950	1.3
67.05509	31.4
69.03428	2.6
69.07073	5.2
69.85841	2.8
69.86244	1.5
71.04973	1.8
71.17966	0.8
72.08156	1.4
76.02231	59.5
76.04015	3.9
79.05497	9.4
81.06587	1.7
81.07059	29.6
83.04987	2.1
83.06109	2.7
83.08607	2.8
84.04047	1.5
84.04505	19.3
85.01105	1.5
86.99045	3.5
87.02694	1.2
88.02226	1.0
91.05487	5.6
93.07043	10.6
95.04974	3.3
95.08614	46.8
97.01073	1.2
97.06516	1.5
98.21546	0.8
99.05592	1.2
105.07047	8.5
105.78969	0.9
107.08612	7.2
109.06522	4.0
109.10165	29.5
113.04218	1.7
114.03758	1.0
116.01685	23.8
117.07007	2.0
119.08590	12.7
121.10158	3.4
123.08067	3.7
126.09150	0.8
129.06570	1.6
130.04999	6.7
130.06839	2.0
130.08618	1.5
131.08536	1.0
133.10136	4.4
134.09659	2.8
135.11732	1.7
137.09637	3.0
137.13242	0.8
139.05772	2.3
142.03226	6.3
144.01131	11.5
145.06055	1.8
147.07951	1.1
149.09653	1.0
151.14832	20.3
156.08379	1.0
161.09683	1.4
161.13255	11.4
162.02214	39.3
170.02748	2.6
179.04866	100.0
179.14322	29.8
179.15686	0.6
187.05446	4.2
203.14285	2.5
215.04893	2.0
216.07007	1.0
233.05936	15.5
233.09509	2.0
236.14693	3.6
237.12923	3.9
245.05983	2.5
254.15738	2.6
290.08008	0.8
290.17593	1.2
291.06445	2.4
308.09106	13.4
339.17352	11.6
350.91364	1.0
393.18423	2.6
411.19531	13.1
466.51633	0.9
468.21414	5.9
486.21997	3.2
487.19778	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	10.9
57.03431	9.7
57.07081	29.5
62.02769	3.1
67.05489	11.5
69.07064	6.7
71.08652	21.1
71.08991	4.4
71.51260	6.8
75.81708	3.8
81.07079	16.7
83.08636	5.9
85.10178	11.1
91.05449	3.9
95.08591	13.8
98.98458	11.5
105.06985	4.0
107.08596	4.2
109.10164	7.5
111.04844	3.9
131.08542	4.2
133.10158	7.3
155.00969	3.6
161.29854	3.6
168.72290	3.5
168.92686	4.4
183.12074	3.5
313.27408	100.0
365.30759	4.3
413.01016	3.5
484.47165	5.0
485.47577	5.8
492.42651	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	483.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05514	3.8
57.07074	1.6
67.05510	4.8
69.03448	2.0
69.07075	7.6
70.64219	1.9
79.05502	3.6
81.07064	11.6
83.04978	8.2
83.08631	1.6
91.05479	3.4
93.07040	7.9
95.04970	3.0
95.08617	23.6
95.46416	0.8
105.07045	6.1
107.08601	14.5
109.06564	1.8
109.10168	11.4
111.08068	1.2
111.11748	1.7
119.08616	9.1
121.06548	1.4
121.10154	13.9
123.08054	3.0
123.11702	7.0
125.09692	0.8
130.83604	1.0
131.08574	2.4
131.68393	0.8
133.10158	6.5
135.08095	4.5
135.11710	12.0
137.09612	1.6
137.13249	5.5
139.11221	2.0
143.08484	0.9
145.10141	3.1
147.11717	4.6
149.09633	20.5
149.10768	1.5
149.13277	3.6
152.63449	0.8
157.10155	1.6
159.11723	3.6
161.09688	1.7
161.13303	5.6
163.11197	1.8
163.14838	1.8
172.09512	0.8
173.13295	2.6
175.11145	0.9
175.14842	4.7
177.12784	2.1
177.16417	3.6
182.99084	0.9
185.13521	0.9
187.14819	1.8
189.16446	6.8
191.17981	5.9
199.15009	1.3
203.17917	1.3
205.19582	1.3
215.18027	4.9
218.47803	0.8
220.73196	0.7
227.18279	0.8
229.19594	0.8
231.17511	2.2
233.19008	6.9
245.18985	1.0
249.18590	0.8
269.22348	0.9
277.18121	1.7
287.23666	7.5
288.24173	1.2
423.36035	2.3
483.38379	100.0
484.39059	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	484.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.7
53.03937	3.3
65.03926	3.6
66.55661	1.0
67.05493	1.5
69.03432	1.6
69.94095	5.0
77.03905	1.0
79.01848	3.4
79.05490	8.5
80.05013	1.8
81.03413	5.8
81.05801	2.5
85.02931	2.3
92.04996	7.8
95.04947	1.3
96.08150	7.6
97.02893	1.4
98.20926	1.5
106.06560	61.5
107.01337	1.4
108.08125	31.0
109.02888	2.4
109.05289	1.8
122.06023	3.4
123.06796	7.3
124.07594	33.3
125.02354	2.6
127.03913	4.0
134.06021	27.5
136.07602	4.8
137.08363	2.2
143.03409	3.3
152.07069	100.0
153.01836	92.3
153.02913	5.2
166.73299	1.0
170.08122	70.8
171.02853	2.5
204.03828	1.1
204.05727	1.1
208.93886	1.1
230.08234	1.3
232.68594	1.1
258.07584	7.5
259.08411	13.2
260.09189	4.6
273.06342	1.7
274.07156	4.5
286.07056	7.1
297.06128	4.0
304.08215	7.5
314.12430	2.6
315.07019	1.2
322.14728	1.4
332.13708	1.5
385.34991	1.1
466.13440	56.7
484.14526	78.5
485.14990	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66727	0.6
53.03954	0.8
53.26054	0.6
54.03463	0.6
55.01879	1.3
55.05510	0.8
57.03453	0.7
58.06593	3.7
61.02919	1.7
64.30673	0.5
69.03436	2.8
69.07068	1.9
69.32346	0.6
70.06596	100.0
71.04984	0.9
71.06902	0.6
71.50432	0.9
72.36613	0.5
73.02913	0.7
79.05499	0.6
81.03436	2.3
81.07082	1.0
84.04510	2.2
85.02914	5.8
86.09731	2.1
93.07051	0.6
95.04957	0.9
96.08159	0.6
97.02915	3.2
98.97594	0.8
101.02402	1.3
104.10748	1.2
109.02885	1.7
109.06534	0.9
110.06018	0.6
115.03937	1.1
115.07626	0.6
119.04993	0.6
124.07562	0.8
124.99975	0.9
127.03935	2.5
127.76439	0.6
131.08649	0.7
136.07622	0.7
137.05951	3.6
145.04997	1.1
152.07080	0.9
153.01875	2.1
163.07573	0.9
165.05486	16.8
168.06578	1.2
169.12247	1.0
171.10265	0.6
173.06018	1.1
177.05566	1.9
184.06021	0.6
184.07300	2.9
191.03484	1.2
191.07018	4.0
201.05533	2.5
205.04927	3.4
219.06548	24.0
219.08557	1.3
247.06033	12.4
247.08417	0.8
265.07043	8.0
269.14001	2.5
322.12863	64.3
323.13406	1.7
324.54257	0.6
484.18173	15.0
485.18927	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25169	1.6
55.01875	3.5
55.05502	3.0
55.59227	1.4
57.03437	7.3
57.07076	1.7
59.04987	2.2
60.08170	4.3
61.02922	4.0
61.60929	1.4
69.03439	7.7
69.07056	6.7
71.04984	1.6
71.07390	1.9
71.08637	44.8
71.50851	1.3
73.02932	10.7
73.06573	6.8
78.48322	1.5
79.05507	2.3
81.03385	3.2
81.07065	8.6
83.04963	1.5
83.08606	2.3
83.11678	1.3
85.02915	17.1
85.57423	1.5
86.09710	20.4
88.15074	1.3
95.08597	6.4
97.02890	10.4
97.10146	2.4
98.98440	2.3
99.08104	100.0
104.10711	6.1
107.08578	1.5
109.23490	1.7
115.03916	4.2
125.00024	13.7
127.03917	5.0
129.12796	9.1
133.04918	7.8
137.13284	8.8
145.04941	4.8
149.09593	1.5
153.01801	2.5
155.14333	24.6
173.15395	88.5
180.20248	1.3
184.07367	61.4
193.08536	1.7
305.17316	2.3
329.49265	1.6
339.37189	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40549	0.7
66.93681	0.7
69.03400	0.8
70.06596	72.2
71.01881	1.6
71.47101	0.7
76.73989	0.7
98.97584	1.2
103.05467	1.1
112.07612	67.7
116.06350	1.3
116.07104	15.2
120.08112	13.2
132.05879	0.7
140.07074	10.4
142.79648	0.8
153.01782	2.2
158.08134	100.0
159.08461	1.3
166.08658	6.8
177.70734	0.7
213.26221	0.8
281.79611	0.8
311.55386	0.8
320.13351	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
57.03435	3.3
61.01147	2.3
61.02932	1.8
67.05504	3.0
69.03426	6.3
69.07065	1.6
70.06566	1.9
70.94992	1.3
71.03183	2.8
71.04995	1.9
72.04520	7.2
72.08138	2.1
72.36135	1.2
73.02908	2.2
78.03788	5.9
79.05515	2.3
81.03422	4.6
81.07048	2.8
84.08137	2.0
85.02915	12.0
85.06556	2.5
86.06078	1.7
88.02217	3.0
89.39198	1.2
91.05483	2.6
93.07047	2.8
94.06598	2.3
95.04948	2.1
97.02879	7.1
99.05585	3.0
102.03754	6.3
103.02168	19.2
107.08607	1.4
108.08102	1.6
112.86511	1.4
114.03764	5.6
114.05537	32.9
117.61033	1.4
118.06514	1.6
120.04808	17.6
124.07626	2.4
127.03941	2.4
131.06352	3.0
132.04813	7.1
136.07603	2.3
142.08667	3.8
145.04997	2.3
145.07695	1.8
147.04370	3.4
149.07474	16.1
152.07095	2.1
153.01840	6.3
159.05913	4.1
162.24701	1.4
173.07138	14.0
174.05881	6.0
174.08012	1.9
191.08504	100.0
196.09943	3.8
202.10858	1.5
203.03329	1.3
206.08353	7.3
211.12350	5.4
220.09969	3.2
221.00853	3.8
221.10706	6.6
223.08678	2.1
224.09494	3.5
227.08134	1.5
231.02931	1.6
237.10327	2.0
238.11061	2.9
239.11812	12.7
257.12912	5.6
267.11331	28.1
267.14114	3.0
272.11374	1.7
275.13916	4.1
277.03412	6.6
278.14465	1.4
285.12341	33.4
303.13522	86.5
321.14453	19.9
483.07895	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	483.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97252	4.8
55.05522	24.7
57.03423	7.7
57.07062	12.4
61.46459	4.3
67.05495	7.6
69.07065	25.3
69.44994	10.5
69.45390	31.3
71.08633	8.8
78.10872	4.0
81.07043	7.1
81.75048	4.0
83.08610	18.4
85.19697	4.3
93.07040	5.3
95.08582	6.6
97.10172	21.2
98.98447	13.6
119.09399	5.3
140.72939	4.4
164.97650	4.7
191.05585	4.9
209.65115	5.0
311.25848	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	2.8
57.07066	2.1
58.44782	0.5
59.17674	0.4
67.05512	5.5
68.52455	0.4
69.07076	5.3
69.15383	2.7
69.15810	2.4
71.08614	0.6
79.05479	1.5
81.07063	9.5
83.08636	3.4
85.10176	0.8
89.06032	2.6
91.05481	2.1
91.75242	0.4
93.07043	6.7
93.46281	0.5
95.08610	12.1
97.10175	1.8
100.66374	0.5
104.90923	0.6
105.07033	2.9
107.08603	9.3
109.06569	0.6
109.10165	16.0
111.08105	0.7
111.11742	1.2
118.84765	0.5
119.08588	3.9
121.06507	1.6
121.10159	9.1
123.08076	1.5
123.11719	10.8
125.09639	1.1
131.08591	1.6
133.08615	1.1
133.10161	2.8
134.10689	0.5
135.08028	3.2
135.11710	6.1
137.09608	0.8
137.13264	2.2
140.77692	0.4
145.10136	2.4
147.08044	0.8
147.11691	2.4
149.09642	4.1
149.13300	4.6
151.11191	1.8
151.14827	0.6
159.11739	1.4
161.09639	1.7
161.13286	1.8
163.11201	1.5
163.14894	1.4
171.11722	1.0
173.13283	1.5
175.11180	1.3
175.14861	1.9
177.11215	0.8
177.12723	0.8
185.13275	0.7
187.11159	0.5
187.14890	1.7
189.11252	0.6
189.12794	1.2
189.16437	1.5
191.17996	0.9
199.14841	0.7
201.16489	1.4
203.14334	1.9
203.17973	0.8
205.15958	1.3
217.16025	0.7
219.17476	1.1
227.21967	0.7
243.17415	1.0
267.21289	0.7
284.17831	0.6
287.23624	3.8
296.17996	0.5
301.25214	3.8
319.22757	0.6
345.24408	0.8
357.44104	0.6
363.62561	0.5
423.36243	0.7
447.88214	0.5
483.38388	100.0
484.38828	4.8
484.46240	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.01873	1.0
57.03425	2.1
61.02925	1.4
67.05501	1.0
69.03436	10.0
70.03739	0.6
71.30431	0.9
81.03427	11.7
85.02919	11.3
87.04474	0.8
91.03926	0.9
94.06595	1.3
97.02874	5.2
99.04461	1.3
108.08128	0.8
109.02887	5.4
119.04965	0.8
120.08115	0.9
122.06030	1.1
124.07571	0.7
125.02349	1.3
127.03956	4.5
134.06015	1.1
136.07581	1.1
137.02345	0.9
145.04961	1.6
147.04417	2.4
148.07605	0.7
153.01833	10.2
163.03902	1.1
166.08694	0.9
170.08327	0.8
181.08871	1.9
182.09789	1.2
183.09203	1.3
184.11299	1.4
185.07147	0.9
191.03424	1.1
193.01347	1.2
194.09753	1.8
195.09192	1.9
196.09946	9.4
196.11456	1.0
197.10675	3.5
198.07863	0.9
199.08615	1.1
203.03404	1.5
205.01213	0.9
206.08412	22.4
209.07179	1.7
209.10884	1.2
210.07860	0.7
210.11566	2.0
211.08762	1.7
211.12325	10.3
211.62628	0.7
213.10257	1.2
215.11862	0.8
219.02922	2.4
220.10001	3.3
221.00830	6.7
221.10745	7.7
223.08682	5.4
224.09445	9.2
225.10262	1.5
226.11108	1.0
227.08237	3.9
231.02873	1.8
233.00826	1.0
236.02715	0.9
237.10236	4.9
238.11061	9.0
239.01967	1.1
239.08041	2.2
239.11823	25.4
239.28566	0.7
240.10286	0.9
241.09689	1.5
247.02362	2.0
252.08989	2.1
254.10559	1.5
257.12860	5.5
258.11276	1.0
259.02448	2.2
267.11313	62.7
268.11819	1.0
271.10638	1.3
272.11658	6.2
275.01822	3.5
275.13980	1.4
277.03458	4.0
285.12363	68.5
286.12790	1.6
287.13907	1.3
303.01407	2.0
303.13419	100.0
304.13730	1.4
319.39700	0.7
321.02466	2.5
321.14554	6.5
339.03430	3.1
345.09973	0.7
465.06433	0.9
483.07681	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31408	1.4
53.03944	1.8
53.59308	1.0
55.01880	1.5
57.03440	2.5
58.52171	1.2
60.26828	1.0
61.02927	1.8
69.03432	10.3
70.06596	4.0
70.14227	4.7
71.04983	1.3
71.92130	1.1
73.02936	1.9
79.05484	1.6
81.03419	9.5
84.87265	1.2
85.02912	12.6
87.04460	1.4
91.05493	2.0
93.07028	1.4
94.06583	3.9
97.02926	7.1
98.21420	1.3
99.04439	2.9
106.06556	1.5
106.07269	1.0
108.08134	3.1
109.02861	5.3
112.07610	4.3
118.06510	2.2
122.06081	2.7
127.03966	4.3
136.07578	3.6
137.08376	2.7
138.05388	1.1
140.07054	1.5
145.04979	2.4
145.07628	4.4
146.05995	3.3
146.08400	1.8
147.04408	2.6
153.01836	6.6
153.05464	1.6
153.09155	2.4
172.10469	1.1
173.07135	18.5
174.07878	2.4
181.08810	1.6
183.09152	1.8
184.11304	1.7
189.10214	4.3
191.03360	1.9
194.09703	2.4
195.09171	1.5
196.09888	7.9
197.10683	2.5
202.10966	2.3
203.03369	1.8
203.11803	2.3
206.08400	15.5
210.11484	1.5
211.08842	1.8
211.12332	9.8
219.02928	1.6
220.09993	2.7
221.00844	7.6
221.10750	7.8
221.12726	1.7
223.08659	4.0
224.09515	9.5
225.10225	1.2
226.11032	1.5
227.08195	3.6
229.13260	1.8
231.02824	1.9
232.11993	1.4
233.01071	1.1
237.10182	3.1
238.11005	5.9
239.08214	2.5
239.09210	1.4
239.11806	24.4
241.09853	1.3
244.12114	3.3
247.02438	2.5
257.12900	10.8
258.11261	2.6
267.11316	46.8
271.10965	1.1
272.11679	3.6
275.01926	2.2
275.13931	10.8
277.03525	2.6
278.03488	1.2
285.12357	55.5
287.14017	1.3
290.12604	2.6
300.25067	1.3
303.01566	2.9
303.13416	100.0
304.13782	3.3
321.02374	1.7
321.14453	31.5
339.03320	2.3
465.06830	1.6
465.19394	1.4
483.07471	3.7
483.19678	2.4
484.14606	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05518	0.8
55.88816	0.4
57.03445	1.0
59.73359	0.5
61.02951	0.5
64.77180	0.5
67.05502	1.1
69.03425	1.8
69.07074	1.3
71.51054	0.7
72.78809	0.4
79.01902	0.5
79.05491	1.8
81.03406	1.1
81.07060	2.1
83.05001	0.8
85.02879	2.2
91.05493	1.8
93.07050	2.8
95.04979	0.9
95.08617	1.8
97.02906	1.1
97.06546	0.8
97.10212	0.5
105.07059	2.1
107.05032	0.4
107.08610	1.8
109.02946	0.6
109.06527	0.7
109.10175	2.5
109.26672	0.5
119.08616	1.1
120.08087	0.6
121.06514	0.5
121.10132	1.0
123.11684	0.6
125.02367	0.4
125.09741	0.6
126.82876	0.4
127.03881	1.1
129.07083	0.6
131.08583	0.6
133.10149	2.7
135.08113	0.6
137.05971	0.9
137.09625	0.6
143.03423	0.6
145.10146	0.6
147.04410	1.1
147.11679	0.8
149.09665	0.9
151.07655	0.8
151.11255	0.6
153.01849	10.2
153.02919	0.7
157.10170	0.7
159.11732	0.6
161.09637	1.1
163.11285	0.6
185.04250	1.1
189.08990	0.8
217.15923	1.2
229.06851	1.7
235.16953	0.9
303.23312	0.7
317.08475	64.1
318.06778	0.8
319.07336	3.0
320.07397	1.9
321.07681	2.8
404.03061	0.5
447.18222	0.5
483.18372	100.0
484.18552	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	483.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75212	0.8
56.96567	2.0
60.57597	1.0
67.70537	1.0
69.03421	3.7
70.99866	1.1
79.05504	1.3
81.03400	2.6
82.99878	3.0
83.04967	2.9
84.08138	0.9
85.02908	6.2
97.02885	4.2
98.21567	1.7
98.97574	6.4
101.00895	21.4
103.02432	1.1
106.06556	3.2
108.08114	3.8
109.02847	1.8
110.97571	1.8
112.99116	1.4
113.00864	4.7
115.02431	2.8
116.98610	2.2
119.01932	25.7
120.01923	1.4
124.07603	2.2
127.02433	3.0
127.03905	3.1
128.98604	1.6
131.01918	13.8
133.03476	6.0
134.06026	2.1
137.02963	2.3
139.02396	2.8
143.00197	1.2
143.01906	25.5
145.01675	1.3
145.03479	16.2
145.04747	1.5
147.01337	2.0
149.02965	1.9
152.07082	5.1
153.01865	8.1
155.01892	23.2
157.03491	8.8
158.99706	3.0
159.01350	1.5
159.05075	1.2
161.02979	24.9
163.04558	1.3
166.08615	1.3
167.01929	13.1
169.03438	4.0
170.08104	3.5
171.05037	2.9
173.02983	30.3
173.06628	3.5
175.04507	3.6
177.00725	1.5
177.02431	2.2
179.01855	4.1
183.01257	1.8
183.05061	6.3
184.04504	1.2
185.02968	39.8
186.03131	1.0
187.04562	6.4
191.04001	2.5
197.02968	13.7
199.04462	2.3
201.00624	2.6
201.02455	34.4
201.06091	24.9
201.07977	1.4
203.04024	14.9
203.69986	1.0
209.03018	2.7
211.04512	1.9
213.02448	6.1
215.04045	9.4
219.03531	50.7
219.06725	5.1
220.03674	1.0
221.05119	4.6
225.05968	1.1
227.04031	10.4
229.36467	1.1
231.03603	7.0
231.07133	2.4
237.02716	2.8
243.03566	1.1
243.07175	8.1
245.05087	100.0
246.05237	4.1
248.32648	1.1
249.04668	5.9
255.03490	2.2
257.05136	5.7
259.06552	1.8
261.04782	10.3
261.08194	3.6
263.06128	11.7
275.06177	15.3
277.07672	2.1
279.05618	2.7
285.08102	1.2
291.05487	1.0
291.09296	3.4
293.07132	2.6
303.05566	15.7
303.09238	4.3
303.12875	1.2
305.07239	10.4
321.06607	20.0
321.10339	6.1
321.14212	2.1
335.07977	2.5
337.08035	1.3
345.06796	1.2
357.68826	1.1
363.07535	2.2
363.11435	6.2
365.09317	9.4
466.13348	2.0
483.11267	8.4
483.17703	4.7
484.14529	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	483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.3
58.01822	0.8
70.77557	1.5
85.20766	0.7
86.51772	0.6
98.97586	14.1
114.95559	1.1
116.98633	5.6
132.27766	0.6
132.96585	1.1
134.99666	1.2
156.96593	2.1
174.97646	7.4
187.09254	0.7
190.95651	1.8
192.98785	3.6
198.97711	1.1
208.96680	0.8
214.95625	13.4
216.73981	0.7
216.98753	5.9
232.96724	18.5
233.96831	0.7
234.99709	5.0
238.95767	1.2
240.98965	2.4
250.97783	8.0
256.96701	45.5
257.96915	1.9
258.04407	0.7
258.99887	7.7
260.99753	1.1
274.97729	59.1
275.97955	2.7
277.00940	4.3
277.70752	0.9
280.96878	2.8
282.99988	8.8
284.00067	2.0
284.99896	1.0
287.73737	0.8
289.96347	1.0
292.98798	6.6
295.01758	0.8
298.97748	87.6
299.97784	4.0
301.01056	10.1
302.01218	1.3
303.00974	0.9
310.57190	0.7
314.95749	1.4
316.98813	100.0
317.98981	5.0
318.99020	1.1
332.96719	1.0
334.99942	1.6
340.00504	2.2
340.98798	2.9
356.96915	1.6
358.99982	5.9
374.98047	3.4
380.96893	1.4
398.97806	4.6
401.01041	1.2
416.98914	10.3
417.99359	0.9
422.97769	6.4
440.98920	89.1
441.99161	7.0
443.02383	1.3
458.99954	78.6
460.00024	6.2
482.01428	3.0
483.00894	3.4
483.06882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26656	1.2
56.96572	7.1
57.03424	1.7
58.72616	1.0
61.02929	1.9
69.03437	7.2
69.58613	6.8
70.99814	1.1
73.02916	1.5
81.03419	7.4
82.99887	3.4
84.96016	1.0
85.02914	17.7
87.04474	1.4
91.03909	1.5
97.02905	9.7
98.97596	15.4
99.04441	1.3
101.00881	19.2
108.08109	1.5
109.02879	3.1
110.97558	3.0
112.99108	1.5
113.00903	5.8
114.96821	1.0
115.02416	1.7
116.85709	1.2
116.98656	6.1
119.01925	21.4
124.99153	1.1
127.02417	3.8
127.03910	5.6
127.04848	0.9
128.98596	3.5
129.00343	1.1
129.03943	1.3
131.00301	1.3
131.01918	17.4
133.03442	3.0
137.00864	1.9
137.02956	2.0
139.02437	3.0
140.98561	1.3
143.00203	2.3
143.01904	26.5
144.01945	1.1
145.03462	15.9
145.04947	3.2
146.91724	1.2
146.99678	2.0
147.01427	2.6
147.04375	1.6
149.03038	2.0
152.07060	1.3
153.01892	5.2
153.03958	1.2
155.01913	31.0
155.04651	3.7
156.02051	1.1
157.03485	9.6
158.99649	6.4
159.01416	2.0
161.01414	1.9
161.02969	21.5
163.02643	1.2
167.01898	11.5
169.03470	5.9
170.08104	1.9
171.04985	1.8
173.02985	38.4
173.06503	1.3
174.99104	1.7
175.04582	2.1
177.00699	4.6
177.02454	5.4
179.01880	7.0
181.03465	1.5
182.03476	1.1
182.99677	1.6
183.01376	2.2
183.05006	1.9
185.02959	50.1
186.03125	2.5
186.96834	1.9
187.04558	6.4
189.00740	2.6
191.03925	2.4
195.03523	1.6
197.02998	16.3
201.00764	3.8
201.02454	62.0
202.02600	2.3
203.03986	14.0
205.04964	3.2
209.02962	4.7
211.04477	1.7
213.02441	12.8
214.02608	1.2
215.04048	9.0
215.05861	1.6
219.01894	6.2
219.03534	93.2
220.03801	3.1
221.00775	2.8
221.02911	1.1
221.05064	3.8
225.02403	3.1
227.04016	10.1
227.06599	2.4
229.05191	3.2
231.01668	1.4
231.03549	12.6
236.07262	2.9
237.02646	9.5
237.04742	1.5
239.03882	1.5
242.05217	2.2
243.03438	5.3
243.06856	1.2
245.05089	100.0
246.05295	3.6
249.02797	0.9
249.04640	9.3
253.05043	1.1
255.03592	4.0
257.05185	6.8
261.04727	17.8
263.00677	1.6
263.06180	11.0
272.06372	1.6
273.04565	1.6
275.02008	1.8
275.06113	17.0
277.03448	1.5
279.05640	4.2
285.04510	4.1
287.81186	1.0
291.05249	1.4
293.07181	3.8
303.01883	1.9
303.05646	33.5
305.07233	9.2
309.08517	2.9
321.06735	37.6
321.10403	1.6
321.14404	1.8
322.06461	1.2
330.08722	1.1
331.08447	6.1
335.07968	5.0
349.07953	1.3
355.04971	1.9
365.09323	8.9
372.81683	1.1
466.13388	1.6
483.12280	13.2
484.14337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0981
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
51.63659	0.5
55.01849	1.5
55.05518	0.8
56.27575	0.5
57.03427	0.8
61.02923	2.1
65.03951	0.7
67.05489	1.1
68.72084	0.5
68.99791	2.4
69.03120	0.5
69.03430	4.6
70.06594	0.7
70.09135	0.5
71.04980	1.2
71.76833	0.6
72.08157	0.6
73.02901	0.8
78.44566	0.5
79.01865	0.6
79.05486	1.5
81.03413	3.2
81.07056	1.3
85.02437	0.9
85.02909	10.9
86.09682	0.6
91.05498	1.1
93.07027	0.9
95.01981	0.5
95.08634	0.7
97.02898	4.7
99.04443	0.8
103.66853	0.5
105.07042	0.7
107.04964	0.8
107.08607	0.8
109.02895	3.1
109.10130	0.8
111.00793	3.3
111.04469	2.6
119.08551	0.8
120.08148	0.6
121.10147	0.9
121.71720	0.5
122.03651	0.8
122.09650	0.8
127.03915	2.5
133.10097	0.9
137.02373	3.3
137.05989	10.6
145.04970	1.9
147.04428	0.8
148.07579	0.6
151.11194	0.6
153.01845	19.3
154.02180	1.0
161.02435	0.6
163.07669	0.5
164.07103	0.6
165.01846	5.7
167.03404	3.1
167.07127	0.7
174.09181	1.0
177.06715	1.2
179.03412	2.2
183.02864	1.5
189.05432	1.2
195.02852	0.8
199.03958	1.1
203.03316	1.0
207.02885	0.9
211.12198	0.6
217.04982	4.6
219.03038	0.8
221.28423	0.6
231.02861	0.8
244.03824	0.9
244.09698	0.9
245.04437	5.7
245.09700	1.1
246.10193	0.8
255.02908	0.9
263.05542	1.0
265.08609	1.1
265.13272	0.6
273.03970	6.4
285.11185	1.0
290.04279	1.8
297.11252	0.8
301.03564	1.3
315.12305	1.5
319.04510	100.0
320.04898	1.6
381.16840	0.7
387.12570	0.7
481.06299	0.8
481.21899	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	481.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.1
55.01877	13.6
55.05516	26.1
57.03443	13.2
65.03936	6.3
67.05509	90.5
68.05828	2.2
69.03429	8.3
69.07073	22.4
71.05012	14.4
71.51974	2.5
79.04398	1.8
79.05496	55.7
81.03421	64.8
81.07061	83.9
82.07402	3.6
83.04977	21.0
83.08620	22.4
85.02906	31.9
85.06535	9.5
91.05483	78.3
93.07052	43.0
95.04984	32.8
95.08619	18.7
97.02898	2.9
97.06525	8.0
97.10172	4.0
99.04467	3.9
99.08082	3.6
105.07040	70.8
107.04974	8.1
107.08600	55.8
109.06564	12.1
109.10167	88.7
110.10503	2.0
111.08062	13.5
113.06001	4.1
115.05408	2.2
117.07035	4.6
119.08588	19.7
121.06549	2.7
121.10161	13.7
123.08086	2.6
123.11703	14.2
125.09643	4.3
127.07571	7.5
128.06194	2.2
129.06990	9.1
131.08562	14.0
133.06511	2.1
133.10136	100.0
134.10457	3.1
135.11678	5.9
137.09615	2.5
142.07861	1.9
143.08554	3.1
145.10124	5.6
147.08057	3.2
147.11700	11.4
149.09642	6.4
151.11188	59.2
157.10149	11.7
163.11156	2.4
165.12703	4.7
169.12215	15.8
175.11243	12.0
179.10699	2.7
193.12263	48.0
194.12454	2.6
197.11783	2.7
200.42534	2.0
211.13303	55.4
215.12689	6.4
235.13269	2.3
253.14378	60.9
267.15906	5.7
271.15390	2.6
463.26889	8.0
481.27869	54.1
482.28146	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	481.062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.8
53.03950	9.9
55.01868	1.5
55.05517	1.0
57.03439	2.9
69.03091	1.0
69.03439	18.0
70.06590	3.5
71.01352	2.3
71.05003	1.7
71.48763	0.9
71.50412	1.4
73.02924	1.0
79.05486	1.6
81.03426	100.0
81.07057	1.4
82.03722	1.0
83.01333	2.0
84.04499	0.9
84.08160	1.5
85.02914	10.7
86.09696	1.4
91.05487	2.0
92.49465	0.9
97.02888	4.9
99.04471	3.6
101.02386	1.9
103.80525	0.9
105.07075	1.6
107.04990	2.3
107.08618	0.9
109.02131	2.0
109.02892	41.0
117.03388	1.5
119.04968	1.3
120.08138	1.0
121.06544	1.0
121.10085	0.8
125.09660	0.9
127.03942	9.0
133.02856	3.5
134.06033	0.9
135.04483	1.6
136.07582	1.5
137.02385	0.9
137.06042	1.3
140.36336	0.8
145.02879	1.2
147.04427	3.0
151.03935	2.1
152.07068	1.1
153.01875	3.5
161.02394	3.8
163.03915	10.3
164.07089	1.2
165.01846	2.1
166.05042	2.3
169.05171	0.9
173.02412	3.3
175.03954	1.9
177.01892	1.0
179.03436	2.7
189.01865	12.6
191.03423	11.5
193.01395	1.8
195.03043	1.0
201.01924	3.9
203.03467	1.7
205.01457	0.9
207.02917	9.3
217.01366	18.1
218.02013	1.7
219.02898	11.5
221.00894	3.4
221.04454	1.0
227.11815	1.1
229.01314	1.7
231.02907	3.2
233.09288	1.4
235.02388	30.2
239.01933	2.0
245.00873	16.1
247.02448	8.9
255.11334	0.8
257.00842	1.8
259.02530	1.4
263.01898	10.8
271.10965	2.0
273.00323	14.2
274.01062	1.6
275.01904	8.2
281.05618	0.9
283.10806	2.0
289.11969	1.1
291.01312	8.1
300.99805	5.6
301.11816	2.8
303.01227	1.0
317.08594	1.1
319.00848	6.1
319.04376	1.9
319.12988	8.4
319.16379	1.4
337.01944	32.9
337.05923	1.7
338.02356	1.0
364.75247	0.9
404.72601	0.9
407.02631	2.5
445.04031	1.9
463.05121	15.3
481.06232	97.1
482.06641	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	480.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.5
55.01870	5.4
55.05516	13.3
55.29889	2.5
57.03434	3.4
57.07081	4.1
61.02925	4.0
64.45508	2.2
67.05509	22.5
67.38428	2.7
69.03436	27.8
69.07076	11.8
70.95326	5.7
71.05010	4.7
79.05496	4.3
81.03431	16.2
81.07065	60.1
82.72915	2.3
83.08637	16.9
85.02911	76.0
87.00835	35.5
93.07049	5.7
95.04932	2.9
95.08611	63.5
97.02894	24.4
97.10175	21.0
99.04447	5.0
105.01875	72.8
109.02879	23.5
109.10165	80.6
111.04471	2.8
115.11186	3.4
123.11722	100.0
127.03929	57.0
129.01869	4.3
137.13257	31.4
139.14856	3.7
145.04971	21.3
158.32939	2.5
159.02908	6.6
179.17964	73.6
189.04015	2.9
197.19029	64.9
213.04004	3.1
231.05003	18.3
249.06082	15.7
436.19867	3.4
480.19376	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	480.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.8
54.57458	2.2
55.01860	9.1
55.05502	10.0
57.03427	8.1
57.07076	5.1
61.02914	6.0
67.05514	15.9
69.03090	3.1
69.03433	39.1
69.07057	7.6
70.06567	3.0
71.04994	5.5
71.51607	3.7
73.02900	6.8
79.05491	5.7
81.03434	25.0
81.07054	34.0
83.04977	2.6
83.08617	9.2
84.08145	2.7
85.02909	100.0
85.06571	2.4
86.09657	2.6
87.00833	51.2
87.04434	2.2
91.05496	2.9
93.07045	7.0
95.04955	2.4
95.07999	2.5
95.08612	49.9
97.02898	32.6
97.06521	2.1
97.10210	11.2
97.10775	2.7
99.04485	14.4
105.01873	83.6
105.07037	5.3
107.05019	2.2
107.08596	5.7
109.02894	31.3
109.10160	59.3
115.03908	2.5
117.01880	2.0
119.08594	3.1
121.10152	6.4
123.11712	58.9
127.03928	73.9
129.01802	2.2
133.10123	3.4
135.11671	3.4
137.05930	2.5
137.13252	20.0
139.14807	2.6
145.04967	29.3
147.11684	2.3
149.09662	3.0
159.02875	9.0
179.17982	58.8
180.18272	2.4
189.03954	2.3
193.05310	2.2
197.19029	45.1
213.03960	4.3
227.37405	2.2
231.05016	27.9
249.06049	15.7
259.73819	1.9
303.04941	2.3
318.06741	3.4
458.73523	2.9
480.19061	2.8
480.30347	2.8
496.67545	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	480.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82713	3.7
52.64364	3.3
55.01859	11.7
57.03437	21.8
57.07069	3.6
59.04993	3.9
61.02918	10.2
67.05498	8.3
69.03088	4.5
69.03428	32.6
69.07067	57.9
69.41711	23.3
69.42114	7.5
71.01369	6.4
71.04986	4.4
73.02935	30.6
75.22625	2.9
79.05473	4.2
81.03437	4.6
81.07076	34.9
85.02907	65.4
87.04469	6.9
95.04990	3.1
95.08611	4.6
97.02895	48.1
99.04443	3.4
109.06541	4.4
109.10145	11.6
114.55943	4.0
115.03931	26.9
119.72718	3.3
123.10826	6.1
123.11716	100.0
127.03904	14.3
133.04967	30.9
145.04950	20.3
151.11183	58.2
162.07578	4.0
163.06032	10.9
169.12228	10.0
223.06108	3.8
241.07144	4.1
283.15378	10.8
447.66772	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	480.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01874	4.3
55.05503	4.1
57.03441	12.8
57.07081	2.7
59.04993	1.8
61.02910	4.3
67.05511	7.9
69.03434	13.2
69.07068	13.3
69.84039	2.1
69.84446	5.1
71.04997	48.5
73.02918	9.4
75.04476	2.5
79.05492	10.5
81.03436	7.0
81.07062	100.0
83.04985	6.4
83.08620	1.8
85.02909	92.7
87.00832	5.8
87.04463	1.8
91.05478	1.6
93.07074	1.4
95.04949	2.3
95.08612	27.7
97.02899	17.5
97.06551	1.6
99.04437	3.7
103.03891	1.3
105.01884	2.7
105.07035	1.9
107.08577	2.5
109.02888	6.8
109.10176	3.7
111.04439	6.2
115.03954	4.5
119.08571	1.7
121.10151	2.7
123.04428	2.2
123.11704	12.5
127.03956	13.4
129.05482	28.6
131.08646	1.5
133.04971	4.5
133.10162	2.6
135.11627	1.9
137.13264	23.1
139.08408	1.6
145.04979	10.8
146.08171	1.5
147.06554	13.6
151.11179	12.0
161.13257	8.0
163.06044	1.6
164.09169	4.7
167.03412	1.9
179.14299	10.1
197.15375	5.3
231.04930	1.8
243.06450	1.8
244.06915	3.9
273.09723	1.6
275.05167	3.9
283.15439	1.8
300.06021	1.5
303.04651	2.1
308.31573	1.4
317.06583	31.8
318.06921	80.6
319.06970	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.1
55.01871	6.1
55.05514	27.5
57.03440	15.2
57.07079	2.1
60.33713	1.9
64.56480	1.9
65.03955	5.4
67.05508	82.9
69.03436	5.6
69.07074	21.8
71.01346	2.2
71.04999	9.7
74.58808	1.8
79.05146	1.4
79.05496	66.3
81.03423	49.7
81.07062	100.0
82.07372	2.7
82.49360	1.7
83.04979	17.1
83.08625	33.2
85.02906	24.1
85.06545	5.2
86.45811	2.1
91.05489	64.6
93.07045	69.1
93.07631	3.7
95.04970	31.2
95.08603	22.9
97.06549	12.3
97.10172	6.2
98.21253	11.3
99.08117	4.2
105.07033	29.3
107.04985	6.8
107.08597	32.0
107.59824	2.0
109.06525	9.0
109.10159	5.9
111.04453	3.7
111.08083	12.6
113.06061	2.6
113.61039	1.8
117.07024	12.2
119.04942	1.6
119.08595	21.9
121.06538	5.2
121.10155	20.3
123.08089	2.7
123.11700	4.7
125.09653	3.6
129.07010	14.0
131.08585	20.5
133.10153	19.0
135.11714	10.0
142.07788	3.4
147.11716	15.6
149.09665	6.3
149.13277	29.5
157.10133	12.4
159.11699	9.6
165.12825	3.4
175.11171	19.6
177.12787	6.5
189.11241	2.6
193.12239	48.8
193.13869	2.9
195.13802	9.8
211.13290	52.7
211.15283	2.6
267.15976	8.3
269.17636	4.9
343.22812	2.0
369.24451	2.7
387.25360	2.4
388.58490	2.1
461.29065	9.8
479.30139	69.8
479.37079	3.9
480.30280	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	479.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.01865	1.0
57.03423	2.7
60.63994	0.6
61.02925	4.9
69.03088	1.0
69.03436	15.8
69.29143	4.7
71.04996	2.5
72.44037	0.6
73.02908	1.9
81.03433	5.9
81.07047	0.8
85.02910	21.6
87.04478	3.8
91.03950	1.7
93.07070	0.6
95.04991	0.7
96.37040	0.7
97.02316	0.6
97.02907	10.6
99.04441	1.8
109.02890	2.8
120.08083	1.2
121.02764	0.8
127.03910	4.8
134.84210	0.6
145.04948	3.4
148.07532	1.6
151.03934	0.6
153.01772	0.6
167.03403	0.9
179.03381	0.7
182.08392	1.4
197.10745	3.2
203.25923	0.7
209.07053	1.0
210.07916	2.5
212.09344	1.2
215.07076	0.7
224.09462	1.4
225.10246	9.9
240.08850	1.6
243.06454	1.3
253.09755	6.6
255.11328	1.3
257.09232	1.2
271.10773	7.7
274.04736	1.1
281.09134	4.2
298.56281	0.6
299.10287	66.2
300.10458	1.8
302.04297	1.2
317.06604	33.3
317.11292	100.0
318.07077	1.0
318.11639	2.6
397.94998	0.7
411.79443	0.6
479.16730	14.6
489.87274	0.6
502.00015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62525	1.4
53.03955	8.8
55.01865	4.8
55.05267	2.5
55.05515	30.2
57.03443	14.7
62.06094	3.0
65.03949	4.9
67.05508	91.0
68.05830	1.4
69.03431	5.3
69.07072	24.1
69.85573	5.2
69.85975	2.8
71.04986	8.0
71.08622	1.6
79.05498	73.4
81.03425	41.7
81.07061	100.0
83.04987	18.6
83.08152	2.4
83.08624	29.8
85.02910	21.9
85.06549	5.4
90.67671	1.3
91.04911	3.1
91.05488	64.3
93.07051	67.4
95.04977	28.5
95.08611	35.1
97.02887	3.4
97.06547	12.6
97.10168	6.6
99.08093	3.4
105.04433	1.9
105.07044	40.5
107.04959	6.3
107.08605	35.3
109.06552	9.8
109.10182	10.8
111.04453	3.4
111.08095	13.1
115.05473	2.1
117.07024	12.3
119.08586	20.7
121.06541	3.7
121.10150	27.3
123.08126	3.4
123.11735	5.4
125.09660	4.9
129.07065	9.8
131.08571	24.4
133.06546	2.3
133.10138	22.5
135.08070	3.5
135.11682	10.1
137.09659	2.1
139.11255	1.7
142.07820	2.4
143.08531	2.3
145.10133	2.0
147.08054	2.6
147.11679	13.3
149.09657	5.4
149.13268	29.3
150.87383	1.6
151.11179	4.6
157.10118	13.1
159.11693	12.2
163.11276	1.9
165.12784	4.3
167.14442	1.4
175.11180	10.6
177.11447	1.6
177.12703	7.2
189.11325	1.9
193.12263	46.3
195.12303	1.7
195.13860	9.9
211.13292	43.9
256.71164	1.5
267.15915	8.3
269.17542	4.2
307.28256	8.3
323.67911	1.7
338.27606	7.3
343.22635	2.0
351.23471	2.3
352.55487	1.5
369.24054	3.5
387.25281	4.0
425.42990	1.7
461.28909	8.0
479.30112	64.8
480.30618	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	479.1188
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03931	0.6
54.19505	0.5
55.01878	0.8
58.85110	0.5
59.92697	0.5
61.02932	3.0
69.03442	2.8
69.04063	0.5
69.07033	0.6
69.39977	3.4
73.02930	1.0
77.44447	0.5
81.03413	1.1
81.07060	0.8
81.18371	0.5
85.02914	8.6
86.28680	0.6
91.03946	1.3
92.02623	1.1
93.03390	1.0
97.02890	3.0
98.20718	0.5
99.04401	0.6
105.07024	0.8
107.08553	0.6
109.02883	1.4
109.10217	0.5
120.08186	0.6
121.02873	1.0
122.65929	0.7
127.03922	1.6
139.03928	0.7
145.04913	0.9
147.04453	1.2
151.03899	0.8
153.01836	8.7
165.01837	1.0
217.05067	0.6
228.04239	1.7
229.05017	2.7
231.02837	0.8
245.04376	1.1
246.05261	1.9
257.04514	2.9
273.03922	1.7
274.04703	3.9
284.03290	0.6
285.03946	3.5
302.04221	13.6
317.06580	100.0
318.06818	2.2
353.70569	0.6
355.34152	0.5
424.86545	0.5
445.00983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97731	0.1
53.03951	0.3
55.01867	0.3
55.05495	0.2
56.25657	0.2
57.03420	0.6
61.02930	3.1
67.05498	0.3
69.03436	2.2
70.11869	0.6
71.04980	0.3
73.02927	0.8
81.03425	1.3
81.07046	0.3
83.04952	0.2
85.02908	6.5
91.03951	1.6
91.05484	0.3
93.03394	0.2
93.07053	0.2
95.04980	0.6
95.08590	0.2
97.02894	2.6
99.04436	0.5
105.06999	0.1
107.04955	0.2
108.78199	0.1
109.02874	0.6
109.10142	0.2
119.08513	0.2
121.02886	1.0
121.10129	0.3
123.04435	1.8
124.01570	0.5
125.02338	0.5
125.05994	0.2
127.03922	1.4
135.04382	0.2
135.11665	0.2
137.02345	2.6
137.03380	0.2
141.05478	0.3
145.02908	0.2
145.04979	0.9
149.02339	0.5
151.03925	1.1
153.01852	0.2
163.03893	0.5
163.42805	0.2
165.09146	0.2
167.03407	3.9
167.04776	0.3
167.10753	0.2
168.11047	0.2
179.03407	1.4
180.04117	0.3
183.04402	0.2
187.07605	0.3
191.03412	0.2
197.04463	0.6
200.04698	0.4
201.05479	0.3
204.53961	0.1
207.02901	0.3
208.03630	0.2
215.07042	1.8
216.85892	0.2
218.63826	0.2
219.02940	0.3
221.04222	0.1
228.04208	0.6
228.44205	0.1
229.05151	0.1
233.08080	0.3
243.06540	3.5
256.03717	0.2
257.04480	0.2
261.07587	0.5
271.06027	2.5
273.03888	0.3
274.04745	3.4
284.03207	0.2
288.06302	0.5
299.05594	0.9
302.04205	2.6
303.04971	0.2
317.06567	100.0
318.06879	1.8
410.25137	0.2
418.06656	0.2
479.11826	0.2
479.18924	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1207
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
51.52174	0.5
53.03934	1.6
55.01867	2.1
55.05514	6.2
56.05846	1.2
56.27417	0.4
57.03440	2.7
61.02916	1.6
65.03934	0.9
67.05177	0.7
67.05506	8.8
68.05833	1.1
69.03426	5.9
69.07066	2.9
71.01382	0.6
71.04975	1.8
71.52077	0.7
73.02902	0.9
75.03368	0.4
77.03896	0.5
79.05498	8.8
80.05829	1.8
81.03420	7.3
81.07062	10.1
82.03756	1.3
82.07387	1.6
83.04973	2.6
83.08613	3.3
84.08953	0.8
85.02910	12.4
85.06538	1.2
87.04465	1.0
90.95669	0.5
91.05483	7.5
92.05795	1.3
93.07051	6.5
94.07389	1.5
95.04979	4.1
95.08617	4.2
96.05283	0.9
97.02892	3.5
97.06516	1.3
97.10162	3.4
98.10509	0.6
99.04452	0.9
103.03951	0.7
103.05431	0.7
105.07040	4.4
106.07346	0.9
107.04965	3.9
107.08612	3.3
108.05328	0.9
108.08929	1.2
109.02876	1.9
109.06527	3.6
109.10155	1.7
110.10480	0.7
111.04460	0.8
111.08073	1.2
117.07028	1.8
118.07378	0.5
119.08564	2.7
120.08880	0.8
121.02899	1.1
121.06518	2.7
121.10165	2.2
122.06817	0.5
123.00797	0.5
123.04428	1.7
123.08080	1.4
123.11700	1.0
125.02326	0.7
125.09622	2.1
126.09969	1.3
127.03902	2.6
128.06111	0.6
129.07013	2.0
130.07289	0.7
131.04904	0.5
131.08595	2.2
132.08928	0.9
133.06509	0.7
133.10147	1.9
134.06848	0.5
135.08054	2.0
135.11682	1.0
136.11983	0.7
137.02347	3.3
137.05983	0.9
137.09569	0.5
143.08585	0.9
145.04974	1.4
145.06482	1.9
145.10110	1.5
146.06952	0.5
146.10410	0.6
147.08034	1.4
147.11671	1.7
148.12053	0.6
149.02324	0.6
149.06064	0.6
149.09608	1.5
149.13297	1.1
151.03905	1.3
151.11234	0.6
153.01859	1.0
153.09094	0.8
157.10135	1.0
158.10443	0.7
159.08012	0.7
159.11714	0.7
161.02263	0.4
161.05939	0.5
161.13252	0.8
163.03853	0.5
163.11221	0.7
167.03427	4.3
169.10216	0.7
169.34714	0.5
173.13213	0.8
175.11134	0.7
176.11528	1.1
177.01862	0.8
179.03342	1.4
179.73987	0.4
184.58682	0.5
185.09608	0.6
187.07559	0.6
189.11282	1.1
190.11522	0.7
193.12196	2.2
194.12569	1.5
202.99747	0.6
211.13275	1.1
215.07040	2.1
219.13864	1.0
226.98827	0.5
227.12849	0.6
228.13126	0.7
234.15948	0.7
243.06497	5.5
243.15938	0.8
249.00294	3.2
260.06894	0.5
267.16040	0.6
271.06039	1.6
273.03958	0.9
274.04681	3.5
288.06293	1.5
293.17639	0.7
299.05453	1.3
302.04236	2.1
313.06955	0.6
316.05719	1.3
317.06573	100.0
318.06836	1.4
341.06580	0.7
350.22034	1.0
358.24545	0.8
359.07767	1.3
368.23074	2.0
369.23529	1.3
386.24100	3.6
387.24649	2.4
399.02679	0.5
404.25336	0.9
405.25858	1.3
443.26947	0.6
460.27515	2.3
461.28311	4.7
478.28708	3.2
479.11786	3.8
479.18463	1.0
479.29584	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	479.1188
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
55.01863	0.3
57.03435	0.4
61.02931	4.9
65.03931	0.4
66.27160	0.2
69.03436	1.3
69.53590	1.2
71.07657	0.2
72.81702	0.2
73.02924	1.3
73.10181	0.2
81.03406	0.7
82.64370	0.2
85.02908	5.3
86.09667	0.2
91.03474	0.3
91.03960	2.3
93.03411	0.3
95.04966	0.6
97.02898	2.6
98.07951	0.2
99.04439	0.3
107.08581	0.2
109.02866	0.3
115.03893	0.3
121.02879	1.0
121.10106	0.3
123.04444	1.6
124.01546	0.4
125.02349	0.7
127.03915	0.9
135.04410	0.4
137.02351	2.8
137.03323	0.4
141.05441	0.4
143.04779	0.2
145.04965	0.5
149.02351	0.3
151.03902	1.1
163.03912	0.7
167.03412	4.0
179.03398	1.7
180.04143	0.3
183.04405	0.4
187.07526	0.4
197.04445	0.9
200.04681	0.4
209.04462	0.2
215.07086	1.4
228.04195	0.7
242.05774	0.2
243.06529	4.0
256.03604	0.4
257.04428	0.2
261.07593	0.5
271.06052	2.1
273.04034	0.5
274.04721	4.4
288.06259	0.7
299.05475	1.1
302.04251	2.9
313.07138	0.2
317.06570	100.0
318.06912	2.2
464.72849	0.2
479.19128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.01871	2.7
55.05513	9.8
56.06280	1.8
57.03447	16.1
61.02937	4.2
67.05504	6.3
69.03439	10.1
69.07077	5.9
69.18743	19.9
69.81580	1.9
71.01344	2.6
71.05002	71.9
73.02920	6.6
75.04488	3.8
77.20995	2.0
79.05491	11.8
81.03431	5.6
81.07076	13.0
83.04966	12.7
83.08624	4.5
85.02914	100.0
87.00864	2.4
91.05486	9.1
93.07055	20.6
95.04975	5.3
95.08605	15.6
97.02908	11.7
97.06562	2.0
97.10175	3.2
98.20795	4.2
101.86316	2.1
105.01870	2.2
105.07054	13.8
107.04960	2.6
107.08611	21.2
109.02909	2.4
109.06555	1.9
109.10173	4.8
111.04458	5.0
121.06522	4.0
121.10156	17.9
123.08096	2.7
123.11676	2.8
125.09633	3.1
127.03921	8.9
129.05495	36.2
129.06985	2.5
131.08583	4.0
133.10165	5.0
134.68683	1.9
135.11703	16.3
143.08607	2.4
145.04990	6.0
145.10071	2.1
146.06865	2.3
146.08076	2.2
147.06551	19.6
147.11708	4.2
149.09666	2.3
153.12761	4.6
157.10202	3.1
163.11279	2.7
164.09244	6.7
167.10699	24.3
177.16409	19.2
181.04767	1.9
189.12732	2.2
193.12334	2.3
195.17497	3.2
209.74135	1.9
261.15100	2.3
368.23041	3.6
386.24130	11.2
404.25122	4.0
460.27991	11.2
478.28979	4.8
479.18698	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	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03942	1.0
55.05279	0.6
55.05519	11.1
57.03445	8.2
57.07067	1.7
60.31571	0.5
63.80871	0.7
67.05510	27.2
69.06733	1.0
69.07075	15.5
69.41899	4.7
71.04992	1.0
71.08620	1.1
76.27544	0.6
79.05499	9.0
79.05928	1.2
81.07062	25.2
83.04989	0.9
83.08633	6.4
85.06559	0.7
90.73795	0.7
91.05486	6.1
93.07040	8.7
95.08611	18.0
96.08904	0.6
97.06550	1.4
97.10174	4.5
103.09040	0.6
105.07031	4.4
107.08605	3.8
109.10152	7.5
111.08088	0.8
117.92908	0.6
119.08597	3.1
121.10141	2.3
123.11723	2.9
124.01633	0.9
133.10115	2.7
135.11714	2.3
136.11913	0.6
137.13293	1.0
147.11700	1.5
149.13322	0.9
151.14754	0.6
160.62965	0.6
161.13316	1.5
175.14848	0.6
189.16344	0.7
204.42584	0.5
216.06256	1.1
221.16748	0.6
255.58937	0.6
263.23718	0.9
306.27945	2.5
337.27393	100.0
338.27866	3.0
360.21298	0.7
422.47495	0.6
478.29385	0.7
497.57544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2932
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03956	2.2
55.01879	2.8
55.05518	14.3
57.03441	5.7
57.07076	2.3
57.54635	1.1
62.06092	33.0
63.06457	1.1
65.03957	1.2
67.05509	35.3
69.07074	16.1
71.27590	1.0
79.05502	13.5
80.05869	1.9
81.07065	36.6
82.07397	1.2
83.04980	3.3
83.08623	8.5
88.04020	1.2
91.05494	7.7
93.07046	14.1
94.07389	1.8
95.04947	2.0
95.08615	25.0
97.06564	2.1
97.10190	2.6
98.06046	2.7
98.21541	2.4
98.98470	10.8
105.07023	7.4
107.08610	8.0
108.05347	1.3
109.10177	9.5
111.11733	1.3
117.07046	2.0
119.08604	3.5
121.10155	5.0
123.08082	1.1
123.11701	3.6
124.01622	2.7
131.08502	1.9
133.10146	5.0
135.11745	2.7
137.13205	1.8
138.68903	1.2
141.40233	1.4
142.02623	1.7
147.11681	2.8
149.13306	2.7
155.01079	4.5
156.57295	1.2
161.13380	1.3
163.11182	1.2
163.14816	2.7
173.02138	2.4
177.75050	1.1
193.12337	1.6
198.05313	1.4
216.06335	3.6
220.95822	1.2
225.18381	1.2
229.19209	1.9
245.22691	1.8
263.23703	6.6
306.27924	24.7
312.02463	1.2
319.26508	1.5
337.27383	100.0
338.27667	2.1
349.38409	1.4
460.28094	5.9
478.22153	1.2
478.28644	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	478.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	0.7
53.03959	1.1
55.01896	1.5
55.52034	0.3
69.03430	2.4
71.05006	0.6
71.50276	0.5
76.44347	0.3
79.01859	4.8
79.05515	0.4
81.03426	8.2
81.04148	0.3
82.03767	0.4
85.02913	2.2
89.06078	0.5
91.05516	1.2
93.07074	0.4
95.04990	1.4
95.06895	0.4
97.02906	3.5
99.04492	0.6
107.01331	1.4
107.04975	1.1
107.08611	0.6
109.02896	4.0
110.07297	0.4
118.06571	1.0
119.04961	0.5
121.10165	1.4
122.06040	19.2
125.02345	3.2
127.03912	4.3
134.06065	0.5
136.03963	1.4
143.03413	4.4
145.04965	1.4
146.06023	15.4
147.04424	2.5
149.09723	0.7
152.07010	0.6
153.01842	100.0
153.02892	5.1
154.02232	0.8
155.99867	0.3
164.07079	72.6
165.07420	0.6
167.10721	1.3
171.02899	7.1
297.02908	0.5
297.06067	8.7
300.06436	0.5
301.06543	0.7
315.07007	2.8
316.08868	1.4
317.06393	0.6
326.12213	1.1
478.13004	1.1
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
55.01874	20.3
55.05490	5.2
57.03442	39.5
59.04999	5.4
61.02927	14.4
62.06081	4.1
67.05510	20.3
69.03433	41.0
69.40765	17.5
69.41179	6.7
71.01334	5.8
71.04977	9.4
73.02918	50.9
79.05482	11.3
81.03416	9.7
81.07063	19.0
83.04974	6.8
84.74236	2.8
85.02911	100.0
87.04468	10.7
91.05459	6.9
93.03437	4.9
93.07047	28.8
95.08600	13.0
97.02893	53.3
97.06536	3.5
98.21488	5.7
99.04424	3.9
103.03895	4.4
105.07040	6.9
107.08582	21.4
109.02883	11.2
111.04446	48.7
115.03923	34.5
121.10156	29.3
121.60032	3.1
123.11649	4.2
125.05983	10.1
127.03931	22.2
129.05511	3.6
131.08536	3.9
133.04971	45.1
135.11703	23.0
139.11185	5.8
142.67613	3.0
145.04968	33.7
149.09607	25.1
163.06010	8.8
167.09340	5.6
167.10693	79.0
167.12102	5.0
193.04950	3.5
195.94885	2.8
214.46214	2.9
223.06004	5.8
231.13620	2.9
239.67944	3.6
241.07065	4.0
248.32463	3.0
259.08096	5.0
283.92902	3.2
338.22339	3.4
343.35608	3.1
386.24176	3.1
435.19785	9.9
478.28894	3.5
479.18967	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01876	18.8
55.05502	7.0
55.54045	2.9
57.03434	34.7
59.05011	2.5
61.02925	15.2
64.60002	2.5
66.50098	2.8
67.05511	24.8
69.03089	3.7
69.03432	51.9
69.07059	2.7
69.49031	19.8
70.06591	2.7
71.01341	7.5
71.04981	6.8
73.02522	4.0
73.02918	56.3
79.05507	15.6
80.76788	2.9
81.03408	11.2
81.07066	20.0
83.04970	12.5
83.08634	3.8
85.02904	98.0
87.04475	8.1
87.72726	3.2
91.03937	5.0
91.05468	7.8
93.03403	5.4
93.07048	25.9
95.08607	14.6
97.02892	72.2
97.06501	4.4
103.03906	4.8
105.07016	7.0
107.08613	19.7
109.02866	11.5
109.60704	3.0
111.04447	55.0
115.03932	46.5
117.07050	2.5
119.08585	3.7
121.10139	37.8
125.05971	13.8
127.03922	31.3
132.06500	3.7
133.04968	56.8
135.11688	23.6
139.11127	7.4
144.06543	4.7
145.04945	38.5
149.09616	33.8
150.07614	5.0
153.01768	3.9
162.07533	3.4
163.05989	9.9
167.10681	100.0
177.12627	3.5
223.05974	7.5
241.07013	6.5
259.08154	4.7
281.13901	3.9
301.02853	3.4
311.14764	5.2
368.22665	4.6
386.24295	5.3
408.27377	3.2
435.19852	7.5
460.27487	3.2
478.28079	3.1
479.19012	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.7
55.01865	2.1
55.05511	7.5
57.03439	13.0
59.04999	1.5
61.02929	2.7
65.03950	2.0
67.05500	5.1
69.03423	5.6
69.07063	4.9
69.35857	7.0
69.36286	5.4
71.01360	1.3
71.04995	76.6
73.02914	4.2
75.04475	4.4
79.05494	11.3
81.03433	4.3
81.07056	7.3
83.04987	8.9
83.08645	4.3
85.02907	100.0
86.03246	1.4
87.00840	1.5
91.05477	17.3
93.07047	62.0
95.04954	4.1
95.08599	7.2
97.02900	4.4
99.04424	3.2
105.01877	2.1
105.07016	9.7
106.02908	2.8
107.08601	79.1
108.08905	2.2
109.02867	2.0
109.06538	1.7
109.10165	5.0
110.06020	1.6
111.04446	3.9
111.08109	1.6
119.08579	3.9
121.06548	1.4
121.10113	14.8
123.08016	2.0
124.03944	9.5
127.03934	6.5
129.05482	44.2
131.08606	2.6
133.10155	3.2
135.11682	37.7
145.04970	4.2
147.06522	17.1
149.13312	5.9
159.11682	2.5
164.09229	7.6
177.16383	17.3
195.17448	5.6
231.04947	1.7
268.08237	7.3
272.09705	1.7
317.06625	13.0
368.22958	2.1
386.23944	3.3
460.28082	2.5
478.29492	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.5
53.27579	4.0
55.01863	16.2
55.05515	72.6
55.19516	3.8
57.03433	15.8
65.03931	6.0
67.05509	84.3
69.03432	12.5
69.07076	29.1
69.15549	24.8
69.15971	16.1
71.04998	8.2
79.05500	92.4
81.03426	84.9
81.07066	77.4
83.04990	24.6
83.08627	56.5
85.02898	14.7
91.05488	75.7
93.07051	54.3
95.04983	35.5
95.08612	33.4
97.06538	10.8
97.10191	45.3
98.21575	5.5
103.27010	4.2
105.07038	60.2
107.04968	31.5
107.08610	38.1
109.06534	12.2
109.10178	22.4
111.08090	20.3
115.05508	5.6
116.06207	3.7
117.07037	22.8
119.08594	39.1
121.06512	32.3
121.10143	15.5
123.08095	9.6
123.11761	5.1
125.09655	40.1
128.06296	6.4
129.07043	33.1
131.04955	5.1
131.08572	27.9
133.06519	16.2
133.10127	23.5
135.08069	16.4
135.11693	7.8
137.09584	6.2
141.07027	6.3
142.07800	7.8
143.08582	7.2
145.06523	22.1
145.10141	15.9
147.04453	5.7
147.08095	13.3
147.11722	23.2
149.09612	13.7
149.13217	4.4
151.07594	6.5
151.11269	4.9
153.09152	7.7
155.08498	9.8
157.10132	20.5
159.08031	7.6
159.11668	9.4
161.05998	5.9
161.09483	4.6
163.11180	14.6
169.10164	8.6
171.08069	4.4
171.11739	8.5
173.09636	5.7
175.11197	20.6
187.11145	6.7
189.09242	4.8
189.11224	19.2
193.12274	63.5
195.11838	6.2
211.13274	34.4
213.12756	4.2
215.14392	5.5
225.12830	5.0
227.12677	10.5
227.14604	6.2
233.15402	18.7
241.14343	5.4
249.14809	5.5
255.13882	6.1
267.15942	20.3
273.14697	20.7
291.15915	8.2
339.23260	12.9
341.21255	4.8
349.21637	23.4
357.24237	13.7
367.22742	62.0
385.23734	97.5
403.24854	34.4
433.25916	6.0
459.27493	95.7
477.28629	100.0
501.71661	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	477.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	20.4
57.07081	18.8
59.04994	5.2
67.05508	43.3
68.23490	2.8
69.07070	29.1
71.04990	11.3
71.08638	8.9
71.51945	5.3
73.12981	3.3
79.05500	30.1
81.06589	5.5
81.07066	100.0
83.04990	3.5
83.08624	16.8
85.06532	3.4
85.10203	5.0
91.05504	32.5
91.06044	4.9
93.07053	57.1
95.05000	6.2
95.08620	84.6
97.10173	10.1
105.07046	56.3
107.08601	51.5
109.06534	11.4
109.10167	48.7
111.08070	7.9
111.11714	6.5
113.09700	4.6
117.07013	8.4
119.08597	59.1
119.09393	6.6
121.10155	42.8
123.08090	5.3
123.11719	22.8
127.07480	4.1
129.06987	3.0
131.08577	12.4
133.10147	22.6
135.11705	25.1
137.05994	6.6
137.09615	6.4
137.13318	6.3
139.07529	5.2
143.08557	5.5
145.10168	22.3
147.11714	29.1
149.13263	27.8
151.07579	7.5
157.10146	11.5
159.11737	23.5
161.13292	30.0
163.11227	3.8
163.14864	20.6
171.11758	7.9
173.13277	18.6
175.14839	13.6
177.16335	4.3
187.14879	11.6
189.16434	12.2
191.17897	6.5
199.14882	6.5
201.16425	6.9
203.18004	12.3
213.16434	9.6
215.18004	12.9
217.19527	15.6
227.17937	8.2
229.19429	6.7
231.21136	4.7
231.96210	3.6
239.17657	4.3
241.06593	3.3
243.21071	6.6
255.21254	3.8
257.22601	8.0
283.24185	5.4
307.12750	3.0
313.27472	5.3
325.28870	3.4
327.30786	3.2
339.11237	3.0
353.28632	4.0
403.35828	6.4
419.36649	6.5
427.36014	4.6
445.36685	12.1
459.39740	9.3
477.33823	6.2
477.40701	65.1
504.39569	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	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12119	3.4
53.03946	10.3
55.01870	16.6
55.05514	64.1
57.03436	13.2
65.03935	3.8
66.91238	3.3
67.05135	4.1
67.05505	68.5
69.03432	9.3
69.07059	18.4
71.05000	6.0
77.03928	3.9
78.10397	3.7
79.05497	72.3
81.03424	47.7
81.07059	60.1
83.04981	12.5
83.08609	39.0
83.08981	3.7
91.05491	52.0
93.07038	38.0
95.04974	34.6
95.08616	28.0
97.06560	8.8
97.10163	53.5
98.21545	5.9
105.07043	40.5
107.04978	38.5
107.08615	39.3
109.06559	9.1
109.10152	20.6
111.08100	6.9
115.05447	5.8
117.07042	23.0
119.08585	31.2
121.06499	33.9
121.10172	11.8
123.08083	8.7
125.09621	34.8
128.06267	4.6
129.06995	20.5
131.04947	7.8
131.08568	28.4
133.06509	17.7
133.10153	13.9
135.04408	3.7
135.08044	11.3
141.07002	7.4
142.07774	4.5
143.08577	14.4
145.06474	18.8
145.10097	11.7
147.08044	13.2
147.11703	13.3
149.09622	8.2
153.09129	9.5
153.12770	4.5
155.08572	10.9
155.10547	4.8
157.10143	13.7
159.08098	6.7
161.05983	6.2
161.09639	5.0
163.11208	5.3
169.10201	7.3
171.08087	5.7
171.10260	6.5
171.11702	9.7
173.09583	4.2
173.13223	4.6
175.07729	3.6
175.11198	10.2
177.12822	4.5
179.08566	3.7
181.10193	4.2
187.11131	5.8
189.11240	20.9
189.12784	6.1
193.12253	33.5
197.09561	5.5
199.11165	9.3
205.15933	3.7
209.13274	5.0
211.13248	7.3
215.14395	8.5
217.12422	4.7
223.13269	4.8
225.12747	5.3
227.12622	22.4
227.85591	3.9
231.13747	3.9
233.15381	23.5
241.14391	4.1
245.15378	6.1
261.14478	4.2
267.15927	21.7
273.14859	14.9
339.23322	10.4
341.20963	4.4
349.21701	15.8
357.24225	15.2
367.22742	63.1
385.23749	91.2
386.23996	5.4
403.24899	39.8
404.25433	3.7
415.24850	4.0
433.26410	7.8
441.25964	7.6
459.27469	100.0
477.28604	63.1
478.28653	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	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
55.05502	2.9
57.03444	10.2
60.54961	1.0
61.02925	1.2
65.00966	1.0
67.05495	2.8
69.03422	3.1
71.04998	71.3
71.51681	1.1
72.05315	1.0
73.02905	2.4
75.04474	4.3
79.05471	2.9
81.03378	1.9
81.07053	2.0
83.04990	9.0
83.08657	1.1
85.02911	100.0
87.00823	1.0
87.04478	1.7
88.07642	1.1
91.05473	2.2
93.07043	1.9
95.08604	2.5
97.02893	5.8
99.04461	2.6
105.06403	1.8
105.07049	21.6
107.08578	2.2
109.02877	1.8
110.39650	0.9
111.04475	4.7
119.08599	9.6
123.11665	1.5
127.03900	4.3
129.05495	41.6
131.08635	1.5
133.10141	34.2
135.11665	2.5
145.04939	3.5
145.10107	1.5
147.06538	22.1
147.11670	1.1
153.01805	1.5
157.10165	1.7
164.09148	7.7
175.11194	1.1
175.14832	13.2
180.20776	0.9
190.10394	0.9
193.12129	1.1
193.15854	3.3
211.16983	3.3
211.34512	1.3
217.03180	0.9
243.13850	2.5
255.08658	2.4
273.09717	1.6
329.15643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37729	0.2
70.81987	0.7
81.03424	0.5
81.45800	0.3
85.76266	0.2
86.09750	0.3
88.66702	0.3
91.05483	1.8
117.05772	1.0
118.06553	8.1
131.59831	0.3
133.07651	0.9
134.94170	0.2
145.07620	100.0
146.07944	1.9
153.01843	4.0
153.03008	0.5
161.32883	0.3
162.05508	0.4
163.03978	0.4
163.08687	12.1
182.04984	0.2
245.62596	0.2
290.17444	0.3
295.15518	0.3
325.13965	0.2
353.80310	0.3
393.54303	0.3
477.15082	28.2
478.15396	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.2
55.01860	15.1
55.02103	3.4
55.05273	4.7
55.05514	65.3
57.03420	13.4
57.03675	3.4
67.05182	4.3
67.05511	67.9
69.03421	11.4
69.03779	3.3
69.07057	12.6
71.04980	4.6
71.11246	3.2
79.05076	5.4
79.05499	70.2
81.03421	49.0
81.07062	54.4
83.04977	12.2
83.08626	35.0
85.02885	3.3
91.05489	48.4
93.07047	41.2
95.04983	29.1
95.08627	26.5
97.06536	6.7
97.10176	51.8
102.92577	3.3
105.07037	33.5
107.04964	31.8
107.08611	34.2
109.06518	11.0
109.10171	13.4
111.08074	9.6
115.05445	4.9
117.07032	20.6
119.04974	4.5
119.08591	22.7
121.06524	32.9
121.10132	12.4
123.04432	4.6
123.08070	10.5
125.05987	3.7
125.09639	32.7
129.07007	16.6
131.04947	4.7
131.08604	21.0
133.06485	15.7
133.10126	14.5
135.08051	15.1
135.11723	4.4
141.06940	5.6
143.08554	11.9
145.06438	19.8
145.10126	11.9
147.08043	12.7
147.11713	16.4
149.09671	7.1
149.13229	3.5
153.09160	8.2
155.08577	5.1
157.06522	5.7
157.10127	10.2
159.08023	10.4
159.11661	5.7
161.09604	6.7
163.11229	6.1
167.08530	3.4
169.10100	4.3
171.07988	5.2
171.10173	6.0
171.11664	7.9
173.09634	5.3
173.13222	4.6
175.11148	7.3
183.11690	5.4
185.09634	4.9
185.13254	8.1
187.11195	4.9
189.11256	20.0
193.12263	30.6
195.11769	3.9
195.13617	4.0
199.11182	7.3
205.12251	5.5
211.13219	7.2
215.12550	3.9
215.14375	7.2
227.12785	13.4
231.13821	4.4
233.15369	22.0
239.14497	3.5
241.14236	5.3
245.15509	5.8
249.14880	5.2
257.15228	4.3
258.67023	3.7
267.15814	17.2
273.14856	20.1
287.16312	3.9
316.46091	3.9
339.23294	10.7
340.28311	4.2
341.20911	5.2
349.21692	17.6
349.25296	3.5
357.24231	12.5
367.22736	40.0
373.71353	4.2
385.23721	83.3
386.24283	4.8
403.24789	36.7
433.25845	13.4
441.26163	10.0
459.27426	100.0
460.27692	5.1
477.28433	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01622	0.2
54.21898	0.2
69.03423	0.5
69.91286	0.7
79.01875	1.0
81.03423	2.4
85.02919	0.4
97.02913	0.9
99.04470	0.2
103.26530	0.2
106.06544	0.5
107.01326	0.2
109.02905	1.2
120.04498	0.4
125.02348	0.7
127.03912	0.8
134.06049	1.8
143.03400	1.2
153.01845	25.5
153.02885	1.3
161.04724	0.3
162.05513	100.0
163.05890	1.6
171.02910	1.1
297.06137	2.3
315.07172	0.6
353.00903	0.2
366.31049	0.2
372.13745	0.2
476.11908	6.1
477.11951	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	475.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.2
55.01868	6.5
55.05516	31.1
55.56628	1.9
57.03446	25.8
57.07080	50.4
58.39030	2.0
59.05004	2.4
61.02932	59.9
65.03938	6.5
67.05509	78.6
68.85089	2.2
69.03429	32.6
69.07067	29.8
71.01363	6.8
71.04992	7.5
71.08635	38.9
73.02917	30.3
73.45597	2.2
79.05500	68.4
81.03422	32.4
81.07060	90.0
82.02531	2.2
83.04984	15.3
83.08625	30.9
85.02910	61.9
85.06541	4.6
85.10189	18.8
87.04475	5.8
91.03415	4.0
91.03958	39.5
91.05484	51.6
91.92669	2.1
93.07057	67.3
95.04980	19.3
95.08617	60.7
97.02296	3.6
97.02896	56.6
97.06546	11.8
97.10175	14.1
98.20631	4.0
99.04441	7.2
99.08110	3.0
101.02386	12.4
103.03927	10.7
105.04528	2.8
105.07030	25.4
107.04956	7.8
107.08589	28.3
109.02894	10.8
109.06530	3.8
109.10155	24.9
111.04462	3.5
111.08101	6.2
115.03927	5.2
117.05514	2.5
117.07013	11.8
119.04937	17.1
119.08579	19.5
121.06492	2.9
121.10152	12.4
123.11755	9.8
123.55993	2.2
125.13309	2.5
127.03925	19.8
129.05501	4.6
129.07002	8.9
131.08536	10.6
133.06477	2.8
133.10158	13.0
135.11670	6.2
137.13333	2.7
143.08566	4.8
145.04997	11.7
145.06427	2.0
145.10138	9.2
147.04416	64.0
147.11700	24.1
149.13300	16.4
159.11716	5.8
161.13272	7.4
163.11218	2.7
165.05450	2.8
171.11714	14.6
175.11244	2.4
177.12704	4.3
181.12173	2.0
183.06517	4.6
189.12720	5.4
193.12283	5.1
195.13773	5.6
201.07564	4.2
207.13864	14.7
215.10741	2.2
225.14984	2.5
239.23700	25.0
257.24817	3.2
313.27380	100.0
314.28244	2.3
341.26825	4.1
355.28778	2.4
383.22153	2.6
457.31525	6.5
475.31335	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.9
53.03943	10.3
55.01873	8.9
55.05271	2.0
55.05514	30.6
57.03439	8.0
57.07071	3.0
65.03933	5.9
65.24332	1.2
67.05507	90.6
69.03427	2.4
69.07070	26.4
69.17022	14.1
71.04994	6.3
72.82126	1.1
73.06514	1.5
77.03926	1.6
79.05495	100.0
80.05827	1.4
81.02930	1.7
81.03421	47.8
81.07059	95.2
83.04980	24.3
83.08627	19.9
83.40487	1.3
83.73132	1.2
85.06540	5.2
91.05483	73.8
92.05824	1.3
93.07047	89.7
95.04967	32.6
95.08611	35.4
95.09137	0.8
97.02933	1.8
97.06529	15.5
97.10189	7.1
99.08060	2.9
103.05499	2.5
105.04519	3.7
105.07034	41.7
107.04951	14.8
107.08600	37.1
109.06528	7.9
109.10177	8.6
111.04437	4.2
111.08091	9.2
115.05452	4.0
117.07018	16.1
119.08588	25.4
121.02834	1.4
121.06511	7.3
121.10155	20.0
123.08074	7.5
123.11728	2.0
125.05951	1.4
125.09608	4.3
128.06181	2.4
129.07002	17.2
131.08583	14.8
133.06516	2.9
133.10152	15.7
135.08073	4.0
135.11697	12.8
137.09607	2.1
141.06995	2.1
142.07747	1.9
143.08577	7.5
145.06438	2.0
145.10121	11.1
147.08060	5.2
147.11679	33.0
149.09595	3.4
149.13271	19.0
151.11172	1.7
153.12732	13.7
155.08572	1.7
157.06534	1.4
157.10124	5.5
159.08081	2.5
159.11674	9.1
161.06030	3.3
161.09619	5.8
161.13268	8.7
163.11191	9.1
169.10031	1.5
171.11682	22.5
175.11197	4.0
177.12773	5.9
181.12263	7.4
183.11652	1.6
189.09229	2.6
189.11227	3.5
189.12755	8.8
191.10686	2.3
193.12238	14.1
195.12065	1.3
195.13866	6.7
207.13794	24.0
209.11766	3.5
211.11227	2.0
211.13327	1.6
225.14867	3.7
227.12758	16.5
231.13924	1.4
232.14499	2.0
244.80363	1.3
247.13310	2.9
249.14864	3.3
289.14304	1.5
304.26282	1.6
355.22519	1.8
365.21042	2.4
383.22079	8.9
401.23062	3.2
419.24060	1.6
457.25790	6.2
458.26190	2.0
464.89832	1.3
475.26440	27.4
475.30792	31.4
476.27118	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	1.5
53.03946	10.3
53.67935	1.1
55.01870	4.8
55.05515	28.1
57.03441	5.7
57.07076	1.7
65.03936	6.8
67.05507	85.9
68.51876	1.4
69.03413	1.7
69.07072	24.2
70.03433	3.2
70.03814	2.0
71.04996	4.8
77.03905	2.6
79.05495	86.7
81.03416	11.3
81.07059	100.0
83.04991	18.6
83.08627	16.9
85.06535	4.8
88.34888	1.3
91.05482	67.3
93.07047	97.0
95.04968	20.0
95.08614	35.8
97.06519	10.2
97.10193	5.3
97.33253	1.3
99.08088	3.4
103.05452	1.3
105.04514	5.3
105.07030	37.8
107.04964	8.6
107.08600	41.6
109.06526	7.9
109.10175	4.6
110.13406	1.5
111.08109	5.2
117.07031	14.4
119.08582	24.2
121.06536	3.4
121.10141	16.2
123.08070	6.9
123.11739	1.9
125.09605	1.6
127.07538	2.6
128.06223	3.5
129.07014	16.9
129.07924	1.5
131.08572	11.0
133.06541	2.1
133.10136	14.5
135.08081	2.8
135.11674	10.5
143.08572	7.9
145.10146	8.4
147.08057	3.3
147.11702	29.8
149.13274	26.7
159.11707	10.0
161.09662	3.5
161.13264	11.1
171.11696	25.9
177.12779	4.6
189.12755	11.7
193.12303	1.6
195.13824	6.2
207.13797	33.1
225.14899	2.9
269.17566	2.7
475.30667	70.4
476.30914	2.4
498.15009	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.9
53.03951	10.7
55.01858	3.7
55.05280	1.8
55.05516	22.7
57.03455	6.5
57.07061	2.3
59.85797	1.7
62.72665	1.2
63.49585	1.3
65.03928	4.7
67.05510	89.6
69.07074	22.9
71.04981	3.9
71.51254	1.9
73.06542	2.9
77.03908	1.8
79.05501	92.8
81.03429	10.6
81.07063	100.0
83.04984	13.0
83.08625	18.1
85.06546	3.5
91.05489	65.5
92.05781	1.6
93.07050	86.0
95.04971	25.6
95.08618	41.8
97.06543	11.7
97.10142	5.7
99.08088	2.7
103.05438	1.9
105.04494	4.0
105.07040	37.9
107.04935	6.2
107.08611	34.2
109.06510	6.0
109.10174	7.1
111.04434	1.7
111.08047	6.0
115.05416	1.8
117.07037	14.1
119.08582	25.0
121.06544	7.4
121.10140	16.3
123.08067	4.6
123.11687	3.2
128.06203	1.9
129.07018	15.0
131.08578	11.9
133.06525	2.1
133.10143	17.4
135.11731	8.4
141.07013	2.4
143.08583	8.8
145.06520	1.4
145.10161	9.9
147.08025	3.9
147.10672	2.4
147.11707	31.0
149.09685	2.0
149.13266	23.1
151.11128	1.6
155.08508	1.9
156.09314	1.5
157.10127	2.3
159.11731	12.2
161.09605	3.8
161.13266	13.1
171.11711	22.0
177.12761	5.5
179.14305	2.0
189.12802	10.4
193.12309	1.8
195.13795	6.2
207.11919	2.0
207.13811	29.6
225.14891	2.9
281.17596	2.0
348.32715	1.3
383.25586	1.9
399.56775	1.5
401.26523	2.5
457.29190	4.5
475.30469	69.2
476.30847	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	475.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	11.3
55.01860	4.6
55.05514	33.7
57.03426	6.3
57.07078	3.2
65.03938	5.1
67.05508	98.7
69.03429	2.1
69.07069	25.1
69.69932	4.8
69.70343	4.4
71.04987	4.6
77.03925	1.5
78.75358	1.5
79.05498	100.0
81.03425	11.1
81.07063	99.2
83.04981	20.6
83.08623	18.2
85.06541	5.7
91.05486	69.6
93.07050	96.4
95.04970	21.5
95.07986	2.3
95.08609	47.3
97.06529	11.7
97.10197	4.9
99.08109	1.8
103.30814	1.3
105.04520	3.8
105.07037	47.3
107.04971	6.9
107.08597	41.9
109.06525	5.7
109.10162	8.3
111.08090	7.4
115.05441	2.9
117.07027	14.0
119.08585	28.8
121.02857	1.3
121.06494	4.4
121.10149	18.7
123.08075	6.3
123.11720	1.8
125.09684	2.3
127.07538	1.9
128.06236	3.8
129.07014	17.4
130.07800	1.7
131.08589	14.7
133.06450	2.6
133.10123	14.1
135.08081	1.8
135.11688	8.3
137.09541	1.5
141.06964	1.5
143.08594	7.2
145.10126	13.0
147.08025	2.8
147.11699	33.4
149.09581	1.9
149.13271	20.0
153.12704	1.5
155.08578	2.3
157.10150	2.2
159.11723	13.3
161.09543	1.7
161.13258	12.0
163.11208	3.5
171.11682	27.8
177.12756	5.4
189.11200	2.0
189.12740	12.0
193.12303	2.1
195.13847	4.4
207.13820	28.8
225.14876	3.7
265.74719	1.5
281.17252	1.6
401.26685	2.2
457.29877	3.1
475.30637	58.8
476.31030	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	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.3
53.03943	9.3
55.01860	5.3
55.05516	25.1
56.01842	1.3
57.03432	5.9
57.07090	1.7
65.03936	4.1
65.67171	1.4
67.05507	80.5
69.03431	1.7
69.07070	24.4
69.85679	7.4
71.04987	5.2
77.03923	2.1
79.05498	100.0
80.05793	2.0
81.03419	11.0
81.07059	87.2
83.04980	14.2
83.08624	15.5
85.06544	4.4
91.05482	63.8
93.07051	80.4
95.04978	20.3
95.08613	32.2
97.06530	12.0
97.10171	3.1
99.08118	3.0
103.05477	2.5
105.04524	4.1
105.07037	38.7
107.04982	8.0
107.08598	35.3
107.85010	1.5
109.06531	5.9
109.10145	5.4
111.08088	5.2
115.05503	1.6
117.07027	12.2
119.08593	20.1
121.06527	4.4
121.10149	16.6
123.08080	6.0
127.07558	2.5
128.06239	3.7
129.06999	11.9
131.08566	10.4
133.10150	13.1
133.38074	1.5
135.08101	2.6
135.11688	7.0
143.08589	7.5
145.10162	9.1
147.08072	2.7
147.10547	2.6
147.11688	26.4
149.13269	20.3
159.11732	9.1
161.09662	4.3
161.13283	9.8
171.11678	22.4
177.12820	3.4
189.12788	7.5
193.12709	1.5
195.13800	7.1
207.13802	24.0
225.14922	2.4
387.88919	1.4
457.29709	3.8
475.30661	55.7
476.31219	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	475.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.8
53.03954	10.9
55.01873	3.7
55.05268	1.7
55.05516	24.9
57.03441	7.1
57.07068	1.8
65.03939	5.2
67.05508	94.5
69.03417	1.9
69.06728	2.2
69.07068	24.4
71.04985	4.4
73.06539	1.7
77.03905	1.8
79.05497	100.0
81.03424	17.1
81.07062	96.3
83.04981	18.5
83.08624	17.6
85.06534	5.4
91.05487	64.6
93.07050	92.6
95.04967	25.2
95.08611	31.4
97.02892	2.4
97.06536	13.2
97.10178	5.2
98.24006	1.4
99.04489	1.2
99.08115	2.0
103.05501	2.0
105.04514	4.1
105.07037	43.6
107.04951	8.7
107.08597	41.6
109.06515	8.2
109.10171	8.0
111.04405	1.7
111.08089	8.0
115.05442	2.2
117.07021	15.3
119.08589	22.9
121.06478	5.8
121.10157	18.2
123.08055	7.6
123.11688	1.6
125.09628	2.5
127.07561	1.8
128.06186	2.7
129.07013	15.8
130.07780	1.3
131.08565	12.6
133.10143	14.7
135.08073	3.8
135.11678	8.4
141.09129	1.6
143.08574	7.7
145.06523	1.6
145.10133	8.5
147.08023	4.4
147.11697	34.9
149.09593	1.8
149.13274	24.0
153.12709	3.3
157.10162	1.9
159.11705	12.4
161.09612	5.0
161.13280	11.5
163.11214	3.3
171.11685	26.7
174.78308	1.2
177.12759	5.1
179.14268	1.9
189.12775	10.1
193.12256	2.4
195.13814	8.9
207.13809	32.9
207.52322	1.2
213.14909	1.3
225.14841	3.3
227.12794	4.3
236.42751	1.2
269.17654	1.6
383.22067	6.2
394.92282	1.3
401.23077	2.7
457.25821	5.0
475.30917	58.3
476.30978	1.6
479.22461	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.2
53.03947	10.5
53.09871	1.3
55.01859	5.1
55.05268	1.8
55.05514	25.0
57.03424	4.4
57.07053	2.8
65.03937	6.0
67.05508	85.5
67.59813	1.2
69.03423	2.4
69.07070	28.9
69.51996	8.6
71.04996	6.5
73.06530	1.1
75.30804	1.0
77.03932	1.5
79.05496	100.0
80.63968	1.2
81.03426	15.1
81.07059	91.2
82.10776	1.2
83.04988	19.6
83.08624	15.6
85.06527	5.4
86.52012	1.2
91.05485	62.4
91.82410	1.1
93.07046	92.5
95.04972	23.4
95.08613	33.7
97.06528	13.2
97.10167	4.9
99.08096	2.4
103.05437	1.5
105.04512	4.7
105.07039	41.8
107.04948	5.9
107.08598	34.1
109.06523	7.9
109.10132	5.9
111.08067	4.6
113.06023	1.5
115.05466	2.0
117.07021	13.3
119.08582	26.7
119.31387	1.2
121.06491	4.2
121.10147	15.6
123.08044	4.6
123.11697	2.6
125.09625	1.8
127.07594	1.4
128.06209	4.0
129.07021	14.0
131.08568	8.6
133.06477	2.4
133.10153	14.6
135.08012	3.1
135.11659	6.8
143.08569	5.9
145.10139	9.7
147.08014	3.1
147.11688	28.6
149.13275	22.2
157.10179	2.6
159.10428	1.9
159.11668	13.9
161.09612	4.4
161.13245	12.1
163.11285	1.6
171.11678	22.8
177.12717	3.7
179.14354	2.4
189.12756	13.1
193.12201	2.5
195.12013	1.2
195.13730	7.3
207.13791	31.0
213.14696	1.8
225.14851	4.1
227.12752	2.1
263.16321	1.4
269.17410	1.4
289.14365	1.3
296.67798	1.3
383.21976	2.7
475.30878	65.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.5
55.01877	11.1
55.05269	3.1
55.05512	33.2
57.03434	4.6
59.05009	2.3
65.03947	4.8
66.90301	2.0
67.05509	53.2
68.99825	2.7
69.03451	4.9
69.07087	13.6
71.04993	6.0
76.09317	2.0
79.05500	44.9
81.03424	56.1
81.07056	36.6
83.04986	13.1
83.08612	19.5
85.02904	4.3
85.06554	3.4
91.05487	42.0
93.07052	36.1
95.04974	28.9
95.08604	19.9
97.02881	3.8
97.06525	7.5
97.10178	15.5
98.20687	2.7
103.05482	2.1
105.07040	22.2
107.04967	32.8
107.08601	19.5
109.02857	4.4
109.06529	5.2
109.10168	19.0
111.04446	5.8
111.08091	5.2
115.05466	3.5
117.07025	16.3
119.04955	4.6
119.08586	17.7
121.02866	9.5
121.06493	13.2
121.10155	9.5
123.04475	3.6
123.08070	8.6
125.09647	9.2
128.06210	2.0
129.07016	12.2
131.04945	4.3
131.08583	13.2
133.06509	9.5
133.10167	5.7
135.04417	8.4
135.08054	7.3
135.11699	12.1
137.05995	4.1
137.09674	3.0
141.06975	4.2
142.07889	2.5
143.08583	9.3
145.06456	10.7
145.10139	14.8
147.04387	2.9
147.08073	12.1
147.11728	5.3
149.06070	2.7
149.09639	5.7
151.11378	2.1
153.09155	2.3
153.12770	8.2
155.08620	6.2
157.06519	4.0
157.10168	9.6
159.08141	5.3
159.11736	3.0
161.06006	10.9
161.09657	3.6
163.11209	13.0
167.08644	2.8
169.06570	2.4
171.08073	5.5
171.11815	3.2
173.06012	3.5
173.09686	6.5
173.13205	2.0
175.07681	2.5
175.11238	6.2
181.10213	2.8
181.12262	5.7
183.11740	5.2
185.13416	2.5
187.07610	3.6
187.11227	3.6
189.09169	6.1
189.11218	5.1
191.10693	7.3
193.12257	12.4
197.09605	2.6
201.09094	2.3
201.12794	9.2
209.09895	3.5
209.11659	14.3
211.11273	3.4
213.12733	3.7
213.88461	2.6
219.13876	6.9
227.12712	19.3
229.12337	5.3
229.42564	2.3
231.13797	7.3
234.73604	2.4
235.11154	2.4
243.13879	4.2
247.13309	33.8
249.14871	4.3
265.14450	6.7
267.15952	2.7
269.15488	4.6
271.13361	5.7
289.14383	9.2
307.50507	2.1
337.21658	4.2
355.22589	5.4
365.21097	11.2
383.22183	54.6
384.22507	2.3
401.23245	18.9
431.24420	4.9
439.24881	3.1
457.25812	37.1
475.26974	100.0
476.27554	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	475.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.9
53.30565	1.8
54.86143	1.5
55.01874	11.4
55.05278	2.3
55.05516	39.1
57.03429	6.2
58.34661	2.0
63.54388	1.6
65.03933	2.3
67.05179	2.9
67.05508	40.6
69.03413	5.5
69.07079	8.4
69.38404	14.7
69.40460	2.1
71.05008	2.8
79.05496	37.6
81.03422	18.7
81.07063	26.5
83.04996	4.8
83.08630	17.2
85.06540	2.6
91.05482	26.5
93.07050	19.6
95.04963	16.1
95.08617	15.8
97.02910	2.0
97.06556	3.3
97.10162	19.5
103.05476	3.4
105.03395	3.0
105.07031	19.5
107.04979	16.6
107.08600	15.5
109.02869	10.4
109.06519	3.4
109.10163	11.8
111.04465	2.3
111.08071	3.1
115.05486	2.5
117.07051	12.8
119.04926	4.9
119.08585	11.7
121.02881	2.8
121.06501	13.9
121.10160	6.1
123.04444	3.3
123.08090	5.9
125.02373	5.0
125.09615	12.8
128.06212	3.3
129.06995	10.9
131.04945	8.3
131.08549	9.7
133.06506	8.0
133.10130	7.2
135.04443	2.5
135.08061	7.2
135.11703	5.0
137.06003	4.9
141.07018	5.3
142.07761	1.9
143.08607	8.3
145.06483	12.5
145.10156	9.3
147.04414	6.9
147.08064	7.8
147.11723	4.4
149.06006	2.3
149.09641	3.5
153.07011	2.5
153.09070	2.6
154.07712	2.1
155.08556	6.8
155.10617	2.3
157.06537	3.9
157.10164	6.1
159.04439	2.2
159.08078	7.1
159.11757	3.6
160.05226	5.4
161.05981	32.4
161.09657	6.0
163.07642	2.1
163.11174	9.3
167.08534	3.1
169.06516	2.6
169.10135	4.2
171.08044	7.1
171.10220	1.7
171.11656	3.9
173.06024	7.2
173.09651	8.1
173.13223	2.7
175.07600	4.7
175.11191	2.8
179.08563	2.1
181.10068	1.9
183.08080	5.2
183.11703	4.8
185.06017	4.4
185.09721	3.4
185.13272	4.0
187.07590	5.1
187.11211	3.3
189.09177	4.5
189.11232	4.1
191.10725	4.1
193.12247	7.8
195.11736	2.0
197.09631	2.7
199.11215	4.7
201.12654	2.7
205.12256	2.7
207.11824	2.0
209.09741	3.1
211.11166	5.8
213.12889	2.7
215.10641	2.5
225.12717	4.0
227.10620	2.3
227.12825	5.2
229.12251	2.0
231.13802	6.1
237.11208	3.2
243.13875	7.0
245.15425	2.0
247.13220	2.0
251.14099	1.8
253.12355	2.0
257.15414	3.0
259.13290	1.9
269.15421	7.9
271.13330	8.1
273.14951	9.4
287.16473	3.0
289.14340	20.8
299.16269	2.5
303.16156	2.9
310.09378	1.6
311.16406	2.2
337.21658	4.9
347.20206	2.9
355.22723	10.0
365.21072	17.5
383.22171	90.8
384.22763	2.9
395.22046	1.9
401.23203	33.8
419.24500	3.9
421.23962	6.2
431.24524	7.9
439.25070	10.4
457.25900	65.1
475.26959	100.0
476.26990	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01874	9.0
55.05268	2.6
55.05516	36.7
56.45266	1.7
57.03427	5.6
59.05004	2.0
63.04190	1.9
65.03947	1.9
67.05506	43.3
69.03425	4.4
69.07069	11.7
70.08437	7.1
71.04982	4.5
78.40027	1.8
79.05497	47.0
81.03422	26.3
81.05946	1.6
81.07054	28.8
83.05003	10.2
83.08620	19.2
85.10432	1.8
91.05479	34.6
93.07033	25.2
95.04963	20.2
95.08607	14.7
97.02894	1.9
97.06527	4.4
97.10162	20.9
99.08122	2.7
102.60468	1.5
105.07043	22.7
107.04955	22.0
107.08600	17.1
109.02899	8.1
109.06501	6.0
109.10184	11.5
111.04445	2.8
111.08088	4.0
115.05468	6.5
115.95911	1.8
117.07020	16.0
118.92872	2.0
119.04961	5.4
119.08588	15.9
121.06505	13.3
121.10164	7.9
123.04434	4.3
123.08078	7.1
125.02361	5.6
125.09640	18.2
128.06218	3.2
129.07007	14.5
131.04941	5.6
131.08571	15.8
133.06483	9.5
133.10162	9.0
135.04451	4.3
135.08086	5.4
135.11694	8.5
141.07005	3.6
143.08580	7.7
145.06494	12.9
145.10144	10.8
147.04454	5.3
147.08014	10.6
147.11754	3.5
149.09601	4.7
153.09023	2.1
153.12689	2.8
155.08586	7.8
157.06546	4.9
157.10106	4.9
159.08075	6.8
159.11693	2.6
160.05231	5.5
161.06004	23.1
161.09605	3.7
163.11211	12.6
165.12837	2.4
169.06578	2.3
169.10097	3.2
171.08064	5.5
171.10217	2.0
173.06000	7.3
173.09637	8.4
173.13240	2.3
175.07542	4.0
175.11215	5.0
181.10068	2.2
181.12289	3.3
183.08075	2.3
183.11739	6.1
185.05986	2.8
185.09625	3.4
185.13379	2.0
187.07591	4.5
187.11243	2.9
189.09155	5.0
189.11244	6.8
189.12885	2.2
191.10701	5.0
193.12192	9.6
195.08138	2.3
195.11693	3.2
197.09576	5.3
209.11600	4.2
211.11252	6.1
213.12804	3.3
215.10696	2.2
222.10045	1.9
225.12816	5.9
227.12602	9.4
229.12262	2.6
231.13911	7.4
236.34416	2.0
237.11194	2.1
243.13707	6.6
244.34361	2.2
247.13264	4.6
257.15399	3.8
269.15356	4.5
271.13284	9.5
273.14865	7.4
287.16522	2.9
289.14319	17.6
303.15915	2.5
337.21481	2.9
347.19980	4.1
355.22632	7.7
365.21155	17.0
373.24097	2.4
383.22177	87.3
401.23257	34.8
419.24460	3.4
421.23605	4.1
431.24301	5.6
439.24756	12.5
457.25815	50.8
458.26047	2.4
475.26889	100.0
476.27048	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	475.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01864	0.8
55.05498	1.1
57.03445	0.8
67.05503	1.0
69.03431	5.3
69.07037	1.3
69.40141	0.8
69.40548	3.5
70.06578	0.9
70.22623	0.5
71.04994	4.6
73.02917	1.1
79.05492	1.7
81.03432	3.8
81.07072	1.3
83.36346	0.5
85.02911	9.1
85.06533	1.1
87.00844	3.3
91.05479	1.7
93.07045	3.8
95.04958	0.7
95.08615	2.4
97.02898	1.7
99.04464	10.2
105.01865	2.2
105.07040	2.6
107.08585	3.2
109.02882	3.3
109.06527	1.2
109.10140	1.6
119.08575	0.9
121.10139	5.0
123.08081	1.6
123.11694	0.9
127.03944	5.7
127.80821	0.5
131.08528	0.6
133.10143	2.0
135.08035	1.4
135.11723	0.6
137.09621	1.6
145.04964	1.4
149.09630	100.0
150.09962	1.5
151.11205	1.8
159.02864	1.1
163.14822	1.1
165.12737	0.7
169.12291	2.0
173.13210	1.2
183.13814	2.1
185.44829	0.5
191.14323	8.5
209.15387	14.3
227.16437	12.2
385.22406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.1
55.01868	3.6
55.05497	2.4
57.03432	1.8
58.82855	1.0
61.02925	2.0
67.05496	2.2
68.61873	1.1
68.99793	2.0
69.03430	11.6
69.07062	1.8
70.06075	3.2
70.06472	2.0
71.04994	29.3
73.02925	1.8
79.05503	1.8
81.03426	15.1
81.07050	3.7
83.08625	3.6
85.02907	23.1
85.06551	9.2
87.00827	10.0
91.05470	2.4
93.07037	4.5
95.04977	1.4
95.08600	6.3
97.02892	8.3
97.06497	2.4
99.04456	100.0
100.04802	1.5
101.06136	1.0
105.01866	3.7
105.07050	7.0
107.08604	12.2
109.02892	11.2
109.06519	3.4
109.10157	6.5
112.96581	1.0
113.09647	4.6
117.01895	1.0
119.08587	2.8
121.10140	8.7
123.08064	13.5
123.11706	8.0
125.03937	1.1
125.09641	5.4
127.03938	15.5
129.01851	1.9
131.08618	1.6
133.10133	10.5
135.11627	1.2
139.11176	3.3
141.09183	1.2
141.12738	1.3
145.04959	4.3
145.10124	1.9
147.11673	3.0
149.13290	5.9
151.11218	3.0
153.09009	1.4
154.98424	1.0
159.01692	0.9
159.02898	4.8
165.12701	1.8
167.10696	4.6
167.14354	1.2
169.12277	6.7
173.13240	5.9
183.13812	36.8
191.14285	6.1
193.73947	1.1
209.15373	16.9
222.30444	1.0
227.16422	91.5
228.16911	1.4
231.05023	3.2
356.30078	1.1
475.32294	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	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86465	5.1
55.01845	5.9
66.28051	4.3
67.05501	8.9
67.94882	4.0
69.03417	16.6
69.07069	12.7
69.34830	7.4
69.35233	34.8
71.04977	7.0
79.05499	10.2
81.03407	10.4
81.07065	21.2
83.04974	11.8
85.02910	32.3
85.06548	6.2
87.00828	16.0
91.05481	14.5
93.07041	19.3
95.04958	8.4
95.08609	30.0
97.02888	8.5
97.06534	22.7
99.04478	7.1
99.08100	15.0
105.01866	15.4
105.07032	18.6
107.04960	8.9
107.08599	56.5
109.02873	18.4
109.06500	12.4
109.10144	16.7
119.08556	6.3
121.06502	15.8
121.10139	34.0
123.08086	16.2
125.09631	8.4
125.56631	4.4
127.03890	18.5
131.08548	12.0
133.10149	35.2
135.08051	14.3
137.09644	11.0
138.74490	4.8
145.10120	9.0
147.11708	6.1
149.09605	53.0
149.13239	18.6
151.11205	27.2
163.14835	27.0
173.13286	24.7
191.14331	75.1
209.15378	100.0
216.30922	4.8
227.16434	11.2
394.59775	5.3
475.21448	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	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13630	5.7
53.03925	7.0
69.03423	18.6
69.16627	46.8
69.17051	27.6
73.63550	6.0
81.03408	13.5
81.07052	8.5
85.02888	19.2
86.71655	6.4
87.00814	8.7
93.07063	9.3
95.08628	11.3
97.11146	7.5
99.04441	10.3
99.08042	7.1
105.06994	11.2
107.08599	14.4
109.02845	19.4
109.06490	9.9
109.10171	7.8
121.10099	6.5
123.11734	7.4
125.09634	30.7
127.03920	16.1
133.10159	8.8
134.84256	7.0
137.35893	7.0
149.09634	83.8
149.13243	9.8
151.11179	19.1
153.01773	7.2
167.99533	7.1
173.13283	9.0
191.14395	31.4
209.15388	100.0
227.16409	11.6
272.04108	8.0
306.76059	7.3
313.03458	7.6
371.60513	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	474.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	0.8
71.50898	0.6
81.03413	1.2
85.02878	0.5
95.06094	0.8
105.03391	0.6
109.02883	2.5
111.05572	4.0
120.04474	2.8
123.05544	1.2
126.06641	2.1
132.04466	22.8
134.06035	5.0
135.60081	0.5
137.04700	1.5
146.02399	0.6
151.06157	8.3
153.01848	1.3
157.17125	0.5
160.07703	0.5
181.04736	0.4
194.06747	4.7
195.07495	0.7
202.09779	1.6
206.07161	0.5
214.77155	0.5
230.09270	1.8
232.10684	0.7
242.09274	4.1
257.10416	4.6
258.08698	0.6
259.11938	9.3
284.11417	5.9
302.12491	14.0
303.01443	0.7
327.11829	3.3
345.13092	100.0
346.13306	2.4
456.16443	0.8
474.17419	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	474.234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35302	1.3
55.01885	2.1
57.03467	1.4
57.07075	1.7
67.05529	3.3
69.03437	21.3
69.07074	2.0
69.27665	12.3
69.35011	1.4
69.99965	1.3
71.05012	2.4
73.02944	2.0
79.05492	2.1
81.01302	1.4
81.03432	3.9
81.07053	5.5
83.04973	2.1
85.02907	9.1
85.06559	2.5
87.00826	3.4
91.05486	5.8
93.07055	5.4
95.08617	5.1
97.02866	3.1
97.06549	4.3
105.01868	4.2
105.07033	11.3
107.08631	6.9
109.02908	2.9
109.06514	2.7
109.10182	3.1
117.07011	1.5
119.08603	5.2
121.10172	5.6
123.08048	3.9
123.11697	1.9
125.09610	8.1
127.03912	6.4
131.08583	19.3
133.10139	65.4
134.10490	1.8
135.08061	6.1
135.11667	1.7
137.09512	1.6
139.66225	1.3
143.08571	1.9
145.04959	2.5
145.10146	8.3
147.11743	3.3
149.09665	3.0
149.13284	2.2
153.01907	2.1
153.09174	2.5
158.10913	5.2
163.11180	2.2
163.14868	2.7
165.12766	2.3
171.11687	1.8
173.11772	3.4
173.13263	53.0
175.14821	2.5
191.14322	100.0
208.14160	2.9
209.15385	42.0
297.09726	1.5
299.92123	1.5
440.44617	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	10.1
57.03411	11.7
64.39859	8.4
69.03423	35.3
69.88633	43.4
69.89007	20.3
70.06609	11.4
73.02893	13.4
74.02428	10.8
81.03398	8.5
84.08171	10.2
85.02923	54.5
86.09704	30.2
97.02882	29.4
98.21410	16.8
98.97596	40.0
110.97581	11.2
115.73187	8.1
116.03496	9.9
116.98577	16.0
119.01951	11.7
124.83430	7.8
127.03945	26.3
128.98610	13.3
131.01973	10.2
132.10233	15.6
134.04466	16.1
139.00700	11.3
143.01833	12.6
145.00764	15.4
145.04977	19.1
153.01849	42.9
155.01988	12.0
158.99568	16.2
160.01320	13.0
161.02997	13.2
162.05513	100.0
170.99734	14.2
180.97565	21.9
181.01854	15.2
200.04405	11.4
211.04900	9.3
219.01747	21.1
232.03528	21.9
237.02925	15.0
240.99718	13.9
274.02707	15.8
276.97263	20.9
291.04279	9.8
346.13293	12.0
475.10248	83.7
475.16876	52.6
480.39096	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	473.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.6
53.03754	0.8
53.03953	10.6
55.01866	4.7
55.05270	1.5
55.05515	21.2
57.03438	3.5
63.82741	1.4
65.03926	2.7
67.05508	50.4
69.03424	3.7
69.07071	10.2
69.71906	4.6
71.01366	1.1
71.04996	2.3
73.06558	1.2
75.98812	1.0
79.05499	64.3
79.66050	1.1
81.03425	100.0
81.07063	38.5
83.04990	12.4
83.08624	21.8
85.06570	1.8
91.05485	60.2
93.03410	1.2
93.07050	48.1
95.04976	40.1
95.08614	22.4
97.02905	2.6
97.06534	4.3
97.10172	6.6
103.05418	1.8
105.04522	1.8
105.07038	42.0
107.04952	8.4
107.08591	12.6
109.06554	7.7
109.10154	4.2
111.08083	6.8
112.45921	1.1
115.05447	3.8
117.07031	8.4
119.08589	29.9
121.06508	4.5
121.10126	6.5
123.08082	6.3
125.09632	2.6
127.07537	2.0
128.06248	3.8
129.07005	21.8
131.08580	13.3
133.06528	5.4
133.10147	9.1
135.08130	1.7
135.11678	1.5
137.09601	1.5
141.06967	2.0
142.07803	5.0
143.08569	7.3
143.47307	1.0
145.06525	1.5
145.10120	7.3
147.08061	5.0
147.11699	32.8
149.09634	3.7
157.06541	1.6
157.10144	11.0
159.08022	1.6
161.09624	2.6
161.13274	9.2
165.12794	1.7
167.08527	1.5
171.08087	1.8
171.11702	23.3
175.11212	9.4
178.24783	1.0
189.12740	8.6
193.12251	26.5
195.11865	1.1
205.48015	1.1
207.13792	20.4
225.14946	1.6
229.16061	1.6
231.13722	1.3
249.14908	3.3
263.16498	1.3
263.58359	1.0
267.16046	1.6
281.17609	1.3
304.01123	1.3
363.23346	1.8
381.24152	2.8
399.25391	1.6
455.27881	3.6
473.29050	62.9
474.29340	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01864	7.2
55.05498	6.0
57.03448	7.7
57.07051	1.9
61.02920	4.3
66.17381	1.5
66.52009	1.5
67.05499	5.7
68.99779	1.9
69.03434	22.2
69.07073	4.6
70.06585	2.5
71.04984	5.8
71.51510	1.5
72.08176	1.9
73.02907	5.0
79.05496	10.1
81.03421	20.5
81.07069	14.0
83.04960	3.6
83.08604	2.8
85.02913	31.9
85.06533	2.1
87.00831	13.8
87.04465	2.0
91.03979	3.2
91.05491	18.0
93.07050	15.0
95.04959	8.2
95.08607	12.6
96.45738	2.3
97.02902	11.2
97.06523	3.0
99.04456	8.0
103.05479	1.7
105.01868	7.5
105.07034	55.5
107.08594	13.7
109.02890	20.3
109.06512	7.5
109.10159	20.4
117.01855	2.9
117.07012	3.6
119.08578	47.5
121.06501	4.5
121.10135	6.0
122.07224	1.7
123.08071	31.8
125.06045	2.0
127.03931	29.0
129.07013	1.9
131.08586	3.1
133.06456	2.4
133.10101	10.5
135.08075	15.0
135.11742	3.3
145.04961	10.4
145.10146	5.3
146.05916	2.7
147.04376	1.5
147.08031	4.1
147.11693	84.3
149.09621	10.0
151.07552	40.6
151.11157	5.8
153.01868	10.5
159.02858	9.8
159.11681	2.4
161.13274	2.4
163.11168	10.7
165.09140	2.9
165.12761	69.8
166.13145	2.4
167.10710	2.2
171.11749	2.2
174.05545	2.8
177.12714	4.0
181.12175	4.3
189.12726	8.8
207.13812	100.0
208.14134	2.9
209.15477	1.7
223.13315	2.0
225.14903	9.4
231.05115	7.9
249.14920	2.6
291.16028	1.6
334.32510	1.8
387.10999	4.0
473.13535	2.3
473.19983	16.1
473.26187	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	473.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.9
54.23326	2.9
55.01867	8.4
55.05516	6.5
57.03427	8.0
57.07076	3.8
61.02915	4.6
63.87280	2.3
67.05502	8.0
69.03432	27.8
69.07072	5.6
71.05008	6.1
71.51709	4.5
72.08151	2.7
73.02924	6.0
79.05488	10.8
81.03421	29.0
81.07052	11.7
83.04974	5.9
83.08630	3.4
85.02436	4.2
85.02911	50.2
85.06572	3.0
86.09691	6.8
87.00827	16.4
89.06022	8.3
89.38459	2.5
90.06346	4.9
91.05459	12.0
93.07091	12.0
93.07565	2.2
95.04971	6.1
95.08601	9.3
97.02879	21.1
99.04440	14.1
99.08058	3.0
105.01893	11.6
105.07042	22.1
107.05001	5.4
107.08594	14.4
109.02882	25.6
109.06522	15.4
109.10166	7.6
117.01880	3.9
119.04963	2.9
119.08580	17.8
121.06540	10.3
121.10154	10.2
123.08083	52.4
125.09629	4.8
127.03932	42.9
131.08623	3.8
133.06500	3.6
133.08618	4.2
133.10149	11.8
135.08081	9.0
135.11676	5.8
137.06068	2.5
137.09673	3.5
145.04984	12.1
145.10156	4.5
147.02922	3.1
147.11687	19.5
149.09627	13.2
151.07552	34.7
151.09546	3.2
151.11189	10.3
153.01862	4.1
159.02914	13.7
159.11736	3.7
161.09665	3.0
161.13260	5.7
163.09985	2.3
163.11168	13.6
165.09068	5.0
165.12766	17.1
167.10683	4.0
171.11691	4.2
177.12689	3.6
181.12268	6.4
189.12766	14.7
191.14325	4.0
207.13855	100.0
207.15933	12.4
208.14374	2.6
208.16302	11.9
209.81273	2.4
225.14897	21.1
231.05023	7.0
249.14874	2.8
306.95062	2.6
380.22455	2.6
445.21756	2.8
473.20258	14.5
473.26709	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	473.1425
Annotation	Erlangerin D
Peak:m/z	Relative Intensity
50.95246	1.7
56.96611	1.7
69.03437	4.0
69.86579	6.5
69.86989	3.8
70.06579	2.6
71.76963	1.7
84.06518	1.9
85.02925	5.5
91.11755	1.9
97.02882	3.0
98.21440	2.1
98.97590	5.5
105.48878	1.9
110.97559	2.5
143.01915	2.2
157.41107	2.4
170.99576	2.2
219.01683	2.6
229.47716	2.1
245.05109	2.1
281.07083	2.6
293.05429	5.7
299.72037	1.9
305.02689	18.6
429.15292	5.8
455.13199	20.9
473.14270	100.0
474.14853	3.1
476.40903	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	473.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88469	1.7
53.03940	5.2
55.01870	4.3
55.05504	1.6
57.03440	4.5
57.07073	1.9
58.22369	1.5
58.26770	1.7
59.04998	1.5
61.02916	3.5
67.05509	5.3
69.03098	1.7
69.03436	19.3
69.34556	13.3
71.04964	2.9
73.02917	5.1
78.17689	1.7
79.05495	3.5
81.03419	19.3
81.07045	8.0
83.04991	2.4
83.70950	1.6
85.02911	39.1
87.00818	14.3
87.51103	1.7
91.05486	4.6
93.07024	4.6
95.04992	2.0
95.08614	8.0
97.02902	12.2
97.06547	2.8
99.04456	7.0
105.01874	11.5
105.07039	8.2
106.53963	1.6
107.08601	3.9
108.05690	1.8
109.02893	25.7
109.06504	5.0
109.10166	2.2
111.41158	1.8
117.01859	2.7
119.08611	5.2
120.05765	1.6
121.06497	4.6
121.10145	4.0
123.07208	2.8
123.08073	48.5
123.11729	1.8
127.03922	37.1
129.01805	2.5
131.08557	1.8
133.06464	4.8
133.10127	5.7
135.08090	2.5
135.11679	2.3
141.06886	1.6
145.04976	16.3
145.10078	2.4
147.02939	2.2
147.11703	5.4
147.13052	1.7
149.09602	3.3
151.07550	100.0
153.09135	1.6
159.02875	15.9
161.13226	2.4
163.11198	23.0
181.12230	6.6
189.12735	14.1
191.14316	2.4
205.12326	2.7
207.13812	53.9
209.15372	3.1
213.03960	2.6
223.13358	1.9
225.14807	9.1
231.04968	10.3
324.12341	2.1
346.69958	2.0
387.11066	2.9
393.15765	1.8
473.20255	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11628	1.1
53.03951	9.7
55.01876	10.6
55.05513	2.2
57.03428	4.7
60.04491	1.4
61.02914	6.2
67.05485	1.7
68.99799	2.2
69.03433	37.3
71.04981	5.0
71.51679	1.9
71.52057	1.8
73.02918	9.3
78.75356	1.3
79.05516	3.2
81.03423	32.5
81.07021	2.4
83.04950	2.4
85.02909	100.0
85.06533	1.9
87.00307	2.4
87.00832	37.9
87.04446	1.6
91.05508	2.3
93.07024	1.7
94.21425	1.3
95.04954	3.0
97.02897	53.3
97.06512	1.7
99.04458	19.8
101.02344	1.6
105.01871	50.8
105.03385	17.8
105.07006	1.7
108.04453	1.5
109.02887	33.7
109.10143	1.9
111.04448	1.8
115.03944	1.7
117.01880	3.5
119.08563	1.7
121.10143	2.1
123.04420	3.9
127.03924	87.8
129.01840	4.2
137.09608	1.6
145.04965	54.0
145.10147	1.7
147.02930	2.4
147.07932	1.4
148.72893	1.4
149.13368	1.8
153.01825	2.2
159.02904	25.5
165.09131	3.1
177.03883	1.8
189.09190	3.9
211.09673	1.9
213.04050	4.0
224.57152	1.5
231.05020	23.9
236.35477	1.4
249.06062	4.8
254.08453	1.4
270.61169	1.5
314.30972	1.4
315.10806	1.5
397.35202	1.4
435.83426	1.4
472.22372	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.7
67.05516	11.5
69.03417	4.4
69.07062	2.5
71.51644	4.2
72.08156	2.9
79.05470	3.6
81.07051	10.3
85.02895	3.2
91.05475	5.4
93.07024	5.2
95.04959	5.4
95.08590	9.2
97.10226	3.0
105.07069	4.0
107.04971	6.6
107.08585	4.2
109.23858	2.7
109.92063	2.4
121.06522	5.9
121.10139	4.9
122.37650	2.5
123.04436	100.0
123.05333	5.1
133.06433	2.5
135.08073	7.1
135.11703	2.4
147.04378	4.1
149.05986	55.9
161.05984	10.9
161.09625	2.8
162.05534	3.9
163.07550	81.7
175.07553	27.0
180.09021	2.7
189.09102	5.8
201.09059	3.0
239.14368	3.1
257.15405	28.2
264.94336	2.7
275.16434	62.1
276.16818	4.2
293.17477	59.4
359.86636	2.6
410.20618	2.6
421.53665	2.9
438.54837	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	473.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17416	1.6
56.96572	14.2
57.03429	1.7
58.99887	1.9
59.04999	2.1
61.02923	4.1
64.27742	1.9
69.03435	10.4
69.56541	12.0
70.06606	6.2
73.02911	3.2
81.03436	4.8
82.99873	2.1
83.04959	2.7
84.08140	1.8
84.96024	3.9
85.02911	21.7
86.09707	2.9
91.03912	2.0
97.02911	15.8
98.20831	2.7
98.53163	1.9
98.97582	35.7
99.04453	2.8
101.00875	14.6
109.02872	3.7
110.97591	8.6
111.05621	2.2
112.99099	2.0
113.00861	8.6
115.02415	3.9
116.98636	11.2
119.01939	17.5
121.06510	4.8
127.02388	4.8
127.03951	5.3
128.98628	7.9
129.02312	3.6
131.00237	3.4
131.01913	18.6
133.03481	4.1
137.00847	2.7
139.02473	2.0
140.98595	3.7
141.06569	3.8
143.00186	4.0
143.01903	23.7
145.03476	15.7
145.05000	4.9
146.99669	2.4
147.01491	1.9
147.03236	2.3
147.04384	1.9
149.03049	2.9
153.01813	18.5
155.01897	23.7
156.02719	4.4
157.03464	9.8
158.99677	8.2
161.01292	3.3
161.02979	21.3
163.04555	2.2
167.01918	3.7
169.03448	3.7
170.99707	3.9
171.04990	3.0
173.01428	3.6
173.02963	28.1
174.99077	2.5
175.02911	2.2
175.04495	3.6
177.00729	7.8
177.02486	5.3
179.02122	2.3
181.03487	3.0
182.99719	3.1
183.01373	3.0
183.05031	5.2
185.01344	3.4
185.02898	16.2
189.00722	3.0
192.99895	3.0
197.02931	2.7
199.04501	4.6
201.00742	3.6
201.02400	12.3
201.06122	7.6
203.03952	30.3
206.08118	3.2
209.02914	5.5
211.00896	26.9
211.04657	3.4
212.01181	2.4
213.02496	3.5
219.01735	10.5
219.03534	19.4
221.05092	44.2
221.06721	1.6
225.02492	5.8
225.06017	2.1
225.08064	7.9
227.03963	3.0
229.02013	8.6
231.03590	3.9
235.00963	3.4
237.02733	14.3
239.04053	3.0
243.03508	11.1
243.07201	5.4
245.05171	8.4
247.03108	9.7
249.12248	2.1
251.04335	4.6
253.01924	4.1
255.03531	9.0
257.05063	4.4
259.06653	5.2
263.06262	3.8
265.01974	3.8
267.03702	3.3
267.09094	8.4
269.05435	2.4
271.02945	11.2
279.03818	4.3
283.03168	2.5
285.04538	9.0
285.10211	3.6
293.01736	3.7
293.05469	13.8
295.03006	3.1
303.05612	100.0
303.08524	3.8
304.05783	3.2
307.03195	3.3
309.10187	2.2
311.02710	4.1
311.06226	2.9
311.13382	3.2
313.04211	4.2
321.06708	33.2
321.10153	3.1
325.04089	2.3
329.03491	6.3
337.04202	4.5
345.06146	2.9
355.05136	39.7
370.87216	2.0
371.04108	2.3
373.06189	16.3
374.06290	1.9
406.75323	1.9
462.71414	1.9
473.15030	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	471.2203
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
51.79303	0.5
58.34589	0.4
63.59494	0.5
69.07086	0.7
69.38342	2.4
69.38768	1.5
75.81754	0.4
79.05479	0.7
81.07047	1.4
100.46965	0.4
117.58958	0.5
153.01869	0.8
159.87024	0.5
165.09319	0.5
184.09418	0.5
203.05234	0.5
216.59750	0.5
238.47775	0.5
333.07831	5.6
335.09531	9.6
339.17725	1.0
471.22040	100.0
472.22311	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	472.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73302	0.6
57.66095	0.6
68.05034	0.6
70.01744	0.6
70.06595	100.0
70.48611	0.9
70.48969	1.8
71.06928	0.9
81.03434	1.2
86.09735	1.0
97.02923	1.6
98.20884	0.6
109.02885	4.3
112.07610	76.5
116.07106	2.3
123.14067	0.6
127.03934	0.6
128.66081	0.6
140.07071	35.2
153.01849	5.2
158.08141	9.8
171.03040	0.7
235.52466	0.7
242.10387	1.0
242.35277	0.6
247.64853	0.6
261.36655	0.7
266.10297	2.7
280.64279	0.7
284.11349	2.5
302.12442	1.2
472.12177	0.7
473.14520	0.8
498.14883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97690	2.1
65.59629	2.1
67.16782	2.1
69.00071	2.1
69.03440	2.7
70.06597	100.0
71.45483	4.2
81.03425	5.2
97.02890	4.8
103.84824	2.0
109.02900	4.1
112.07613	80.5
116.07097	18.0
121.89071	2.1
121.90070	2.1
122.46181	2.2
127.03887	3.2
127.31403	2.3
140.07091	10.9
153.01846	50.5
153.02907	2.1
158.08141	96.9
171.02899	4.5
227.22159	2.0
297.06036	4.1
315.07098	3.4
328.43896	2.1
365.23279	2.5
446.23218	2.4
447.84613	2.1
498.53058	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	472.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
64.31654	1.7
65.91279	1.4
69.03422	3.5
69.49910	1.6
69.85044	7.5
70.06596	100.0
81.03425	6.3
82.77186	1.5
85.02911	2.6
86.09686	1.8
94.12524	1.6
97.02905	3.0
107.01332	1.6
109.02960	1.4
112.07610	76.4
116.07099	20.9
127.03945	3.2
140.07066	13.0
143.03476	2.0
153.01846	54.5
158.08141	98.2
171.02892	5.1
272.56989	1.6
274.61972	1.6
284.85342	1.6
297.06088	4.6
315.07086	2.1
472.20065	1.8
481.35193	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	471.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.6
53.03942	1.9
55.01870	1.9
55.05494	0.9
59.52445	0.5
60.19071	0.5
61.14044	0.5
67.05510	1.0
68.99783	0.9
69.03419	3.0
69.07069	1.0
70.92220	0.9
71.04991	0.6
79.05503	2.2
81.03428	2.6
81.07044	1.6
83.04983	1.9
85.02925	3.3
87.00828	1.6
91.05486	6.2
93.07053	4.1
95.04993	2.6
95.08619	0.8
97.02890	1.7
97.06509	0.6
99.04514	0.6
103.05510	0.7
105.04507	0.7
105.07031	2.7
107.04969	6.3
107.08598	2.4
108.05761	1.6
109.02900	1.8
109.06519	4.0
110.29328	0.5
117.07024	0.8
119.08604	1.8
121.06518	100.0
121.10125	2.9
122.06853	0.9
123.04453	1.5
123.08062	0.7
125.05992	3.7
127.03944	3.5
131.83286	0.5
133.10176	0.8
135.07990	0.6
135.11732	0.8
145.04930	0.8
145.10124	2.8
147.08133	0.7
149.05995	7.0
149.09601	0.7
159.11749	1.2
163.07574	1.1
163.11198	43.0
165.09122	0.9
167.07056	8.4
175.11366	0.6
187.11229	1.4
190.09912	0.8
205.12262	45.3
223.13248	3.7
261.20566	0.5
471.26392	0.6
496.23755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.6
53.03942	1.9
55.01870	1.9
55.05494	0.9
59.52445	0.5
60.19071	0.5
61.14044	0.5
67.05510	1.0
68.99783	0.9
69.03419	3.0
69.07069	1.0
70.92220	0.9
71.04991	0.6
79.05503	2.2
81.03428	2.6
81.07044	1.6
83.04983	1.9
85.02925	3.3
87.00828	1.6
91.05486	6.2
93.07053	4.1
95.04993	2.6
95.08619	0.8
97.02890	1.7
97.06509	0.6
99.04514	0.6
103.05510	0.7
105.04507	0.7
105.07031	2.7
107.04969	6.3
107.08598	2.4
108.05761	1.6
109.02900	1.8
109.06519	4.0
110.29328	0.5
117.07024	0.8
119.08604	1.8
121.06518	100.0
121.10125	2.9
122.06853	0.9
123.04453	1.5
123.08062	0.7
125.05992	3.7
127.03944	3.5
131.83286	0.5
133.10176	0.8
135.07990	0.6
135.11732	0.8
145.04930	0.8
145.10124	2.8
147.08133	0.7
149.05995	7.0
149.09601	0.7
159.11749	1.2
163.07574	1.1
163.11198	43.0
165.09122	0.9
167.07056	8.4
175.11366	0.6
187.11229	1.4
190.09912	0.8
205.12262	45.3
223.13248	3.7
261.20566	0.5
471.26392	0.6
496.23755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24066	0.7
51.02369	0.8
53.03937	1.9
55.01865	1.8
55.05507	1.6
62.12650	0.6
67.05518	0.7
69.03437	2.3
69.18029	7.1
69.62186	0.6
70.06571	0.7
71.04988	0.7
75.48954	0.6
77.71035	0.6
79.05495	2.0
81.03423	2.2
81.07059	1.7
83.04985	2.1
85.02914	4.3
85.06569	1.3
86.09704	1.0
87.00847	1.4
91.05495	4.3
93.07058	4.3
95.04962	2.7
95.08588	0.6
97.02888	1.6
100.11243	0.6
103.05438	1.0
105.01860	0.9
105.07048	1.9
107.04968	5.7
107.08588	2.0
108.05733	2.1
109.02876	2.2
109.06538	3.1
111.45863	0.6
119.08575	1.2
121.06511	100.0
121.10162	2.4
122.06856	1.3
123.08099	0.9
125.06011	1.6
127.03969	3.1
133.10149	0.7
133.80287	0.6
135.08076	1.5
135.11734	0.8
141.01140	0.7
145.10126	2.6
149.05995	6.2
149.09634	0.9
153.01828	7.4
161.09627	0.7
163.11188	37.3
167.07037	11.6
172.08781	1.1
184.07388	1.7
185.07719	0.8
187.11201	2.3
205.12250	45.5
206.12648	1.4
223.13370	1.7
269.04761	0.7
273.03888	1.2
319.04578	2.4
345.04373	0.8
471.05624	2.9
471.35355	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1659
Annotation	5'-O-beta-D-glucosyl dihydroascorbigen
Peak:m/z	Relative Intensity
59.51520	2.3
69.03422	5.1
70.06579	2.6
71.50761	4.0
81.03421	2.7
84.08141	5.3
85.02901	6.4
87.85039	2.5
97.02894	3.1
98.97556	3.9
100.25494	2.3
107.04945	4.5
110.07158	2.7
110.97595	2.1
111.04467	6.0
123.04478	4.3
135.04451	13.1
138.05489	14.9
139.03932	13.0
141.26740	2.2
153.01854	11.0
154.02214	5.0
155.02316	4.6
156.06541	11.9
163.03854	4.2
188.07039	3.2
200.07161	2.8
201.07907	2.9
202.08640	37.2
216.10318	3.9
226.08586	20.0
230.08154	63.3
244.09793	3.8
245.07880	3.5
254.08147	11.9
272.09216	23.2
273.07709	5.2
290.10233	100.0
308.11304	90.3
308.14026	1.9
308.14877	3.5
313.90292	2.7
365.44968	2.5
470.16656	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	470.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01865	7.2
55.05518	2.5
56.05859	1.4
57.03443	14.8
61.02936	9.4
62.10133	1.2
67.05512	5.9
69.03433	23.0
69.07056	1.2
71.01363	2.5
71.04998	2.2
71.51646	2.7
73.02927	20.7
79.05490	2.1
81.03437	8.0
81.07056	4.4
83.04975	1.2
85.02914	100.0
87.04484	3.9
87.37829	1.3
91.03970	3.9
91.05507	2.9
93.07048	2.1
95.08653	1.5
97.02901	35.8
97.03529	2.4
99.04471	4.4
103.03970	2.8
105.07007	1.6
107.08579	1.7
109.02907	7.0
109.10187	2.0
110.06113	1.3
111.04459	1.2
115.03937	11.8
119.08610	1.4
121.10170	1.4
127.03927	26.6
131.08565	1.8
132.06599	1.2
133.04979	15.6
133.10098	1.4
138.05539	1.6
145.04979	49.6
150.07666	1.5
163.06065	13.0
241.07072	2.1
259.08145	1.8
275.91843	1.3
464.98373	1.2
470.28293	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	471.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.8
55.05528	0.7
57.03437	0.7
69.03429	2.0
70.06584	1.9
71.50107	0.9
83.59227	0.6
85.02913	4.8
91.05489	1.0
93.03389	0.9
97.02908	1.6
111.39068	0.6
112.07575	0.8
112.58739	0.7
113.03158	0.6
115.05465	2.6
119.04875	0.8
125.02309	0.9
127.03888	1.1
129.06987	0.6
138.05502	8.2
139.03812	0.9
139.05884	3.4
140.07011	0.8
143.04907	2.3
145.04947	0.9
147.04413	4.0
153.01859	6.0
155.04939	7.6
155.06085	1.1
156.06523	2.4
157.06909	1.4
159.04439	1.2
161.06001	3.3
163.03893	4.0
171.04414	18.8
173.06006	1.0
175.03909	1.9
177.05510	1.3
179.03450	5.1
181.01341	5.3
183.04398	6.2
189.05481	12.5
199.03912	25.8
201.05461	2.0
203.03378	6.3
205.04965	2.1
211.03912	3.9
217.04973	24.0
219.02977	3.2
219.06563	1.9
227.03392	16.4
229.04997	10.5
231.02882	1.8
235.06067	2.2
245.04460	27.7
247.06070	1.2
249.03947	2.0
255.03160	4.0
263.05521	3.9
273.03940	100.0
274.04367	1.5
277.40442	0.8
291.04977	38.7
309.06058	58.8
310.06250	1.4
389.73569	0.7
471.14709	1.1
471.20581	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05503	0.5
56.05025	0.6
57.03440	0.8
58.06609	0.7
60.07883	0.5
60.08169	7.2
61.02916	0.4
67.05503	0.7
69.03426	0.7
69.07059	0.9
70.06585	0.9
71.07381	3.1
71.52101	0.4
72.08147	0.4
79.05487	0.5
81.03409	0.5
81.07053	2.6
83.01335	0.4
83.05004	0.4
85.02917	1.9
85.06551	0.4
86.03253	0.5
86.09712	33.6
91.05445	0.4
93.07037	0.8
95.08592	1.2
97.02884	0.9
98.98470	2.9
99.04514	0.4
104.10753	3.7
109.02892	0.4
110.06021	0.4
121.10162	0.5
125.00015	22.0
125.09669	0.3
127.03943	0.4
131.93651	0.3
137.13208	0.4
138.13641	0.4
138.30515	0.4
139.11223	0.8
145.04933	0.5
153.01846	1.1
154.02147	0.8
156.92090	0.4
181.98863	0.3
184.07356	100.0
185.07602	0.5
187.12598	0.3
203.12793	0.4
258.11145	0.4
277.06226	0.4
303.05032	0.6
304.05203	2.3
305.05408	1.6
306.05814	3.1
383.19556	0.3
434.19318	0.4
450.22458	1.1
468.23651	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
55.05505	0.7
67.05505	0.3
69.03422	0.6
70.06602	0.6
70.47562	0.8
70.47903	0.2
79.01869	0.3
81.03428	0.7
81.07056	0.5
82.06588	0.8
83.04971	0.4
84.60588	0.2
85.02895	0.7
92.05080	0.3
95.04965	0.3
97.02942	0.3
97.06532	0.6
107.08612	0.3
107.11630	0.2
109.02873	0.4
110.06045	10.7
119.04984	0.3
120.08133	0.4
123.04425	0.3
125.02357	0.3
127.03930	0.5
133.10152	0.4
137.02338	0.3
138.05505	100.0
139.03926	0.6
139.05873	0.6
143.03412	0.4
147.04390	0.6
151.11194	2.8
153.01846	4.5
153.02977	0.3
154.02214	0.4
156.06560	36.5
159.07782	0.3
171.02946	0.3
216.06531	0.3
226.32057	0.2
234.07573	0.3
244.06116	1.0
249.48573	0.2
262.07297	0.3
272.05560	0.3
272.13083	0.3
290.06613	7.5
308.07605	0.5
452.11438	0.4
470.12955	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	18.4
57.03419	2.4
57.07081	33.6
59.04981	4.1
65.03924	2.4
67.05509	99.0
69.07076	20.4
70.95493	1.9
70.95821	3.8
71.04992	3.0
71.08643	19.5
74.11716	1.7
79.05499	9.0
81.06601	2.6
81.07061	46.6
83.08622	17.5
85.06563	2.3
85.10192	11.4
89.06034	2.4
91.05475	14.9
93.07056	23.1
95.08611	64.5
97.10160	7.3
98.42709	1.4
105.07040	14.3
105.14951	1.6
107.08607	32.8
109.10164	100.0
111.11706	5.0
119.07802	2.8
119.08589	33.2
121.10152	20.7
123.11697	15.7
131.08563	3.2
133.10136	14.5
135.11687	19.7
135.66129	1.8
137.09639	4.1
137.13266	8.2
145.10106	7.5
147.11708	13.7
149.13293	9.6
151.14848	2.0
155.10674	4.1
159.11716	7.3
161.13246	11.1
163.14833	5.6
173.11775	21.1
173.13214	2.9
175.14856	7.5
177.16405	7.3
187.14868	6.8
189.16367	24.7
190.91087	1.6
191.17981	22.1
201.16391	4.1
203.18007	15.3
205.19565	5.0
215.17993	4.8
217.19478	9.7
229.19456	3.6
231.21165	3.2
239.23714	7.7
241.19647	2.3
243.21156	3.6
245.22635	9.0
255.21075	1.9
257.22641	3.4
259.24359	2.5
269.22543	3.7
271.24203	3.6
285.25919	2.4
297.25684	3.9
407.36694	22.2
453.13950	1.8
467.37433	74.3
468.37698	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92686	0.4
53.03930	0.9
55.05515	12.7
57.03437	2.1
57.07082	33.4
59.05008	4.1
65.03938	3.3
67.05509	100.0
68.05852	1.2
69.03459	0.7
69.07079	9.5
71.05001	3.0
71.08638	23.5
71.51861	0.6
79.05510	4.0
81.07063	28.0
82.07426	0.5
83.05035	0.5
83.08626	17.2
85.06555	3.9
85.10190	12.2
86.36379	0.4
89.06055	0.8
91.05490	6.9
91.25031	0.5
93.07065	2.8
95.04950	0.6
95.08611	25.0
97.10178	5.5
99.08106	0.7
105.07037	0.6
107.08602	2.7
109.10164	76.5
110.10509	1.2
110.32440	0.6
111.08090	2.7
111.11730	1.2
119.08591	4.6
121.10143	0.7
123.11736	3.7
133.08624	0.7
137.09634	3.5
137.13268	2.9
137.85242	0.5
139.11485	0.5
139.14902	0.5
143.95717	0.5
151.14842	1.1
155.10686	5.6
156.11005	0.6
156.62024	0.5
173.10252	1.2
173.11745	21.8
221.22655	0.7
239.23723	8.4
413.69693	0.6
432.87231	0.5
467.37387	69.4
468.37613	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71554	2.8
55.05521	16.2
55.62884	2.8
56.58200	2.6
57.07079	7.0
65.14862	2.6
67.05508	28.1
69.07076	34.8
69.31090	5.0
69.31504	20.8
70.15315	2.6
79.05511	14.2
81.07065	49.6
83.08614	11.1
87.14577	3.2
90.16223	2.9
91.05473	19.8
93.07059	36.7
95.08616	100.0
97.10179	8.5
100.74910	2.9
105.07043	30.9
107.08608	63.6
109.10165	80.5
111.11729	8.9
114.42554	2.7
118.97346	2.9
119.08592	64.4
121.10167	51.6
123.11728	24.0
131.08607	7.0
133.10146	39.9
135.11699	46.5
137.13257	14.8
145.10127	12.7
147.11710	33.9
149.13254	18.6
157.10062	4.5
159.11691	12.3
161.13240	22.2
163.14806	12.9
173.13274	8.7
174.69844	3.0
175.13507	3.9
175.14795	14.9
177.16368	16.7
187.14784	11.9
189.16383	48.3
191.17960	40.1
201.16385	11.2
203.17969	25.8
205.19539	11.1
215.17986	21.6
217.19531	20.0
227.17949	3.5
229.19586	7.8
231.21130	5.4
241.19666	3.8
243.21060	12.2
245.22653	22.0
255.20938	3.8
257.22586	7.3
269.22665	9.2
271.24252	7.9
283.24277	3.7
285.25671	6.0
297.25580	2.9
407.31638	4.7
407.36746	57.1
431.22903	2.9
467.38922	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	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	12.2
57.03421	1.6
57.07079	33.7
59.04998	3.1
65.03931	3.6
67.05509	100.0
68.05832	1.1
68.16990	0.8
69.07076	9.0
71.04986	3.2
71.08637	24.1
78.76653	0.8
79.05489	3.9
81.07057	26.9
83.08626	15.8
85.06540	2.6
85.10188	13.8
89.06049	1.3
91.05463	5.8
93.07049	4.0
95.04962	1.2
95.08615	26.0
97.10167	5.8
99.08056	0.9
99.11708	1.2
107.08584	2.6
109.10165	80.7
110.10514	1.1
111.08103	3.0
111.11742	1.2
113.13295	1.0
119.08578	6.6
123.11697	3.1
125.13262	1.7
127.11226	1.1
137.09653	3.7
137.13272	2.5
145.10194	0.9
155.10672	5.0
165.16357	1.0
173.11742	22.3
174.12109	0.9
221.22754	1.1
239.23706	10.9
325.28351	1.1
467.37375	88.9
468.37637	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	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59970	0.4
52.46766	0.4
53.03933	0.6
55.05515	12.6
57.03436	1.8
57.07077	35.8
59.05012	3.8
65.03944	2.5
67.05507	100.0
68.05821	0.5
69.07068	9.4
71.04987	2.7
71.08634	26.4
71.51558	0.6
77.03912	0.5
79.05511	3.4
81.07059	29.3
83.08622	17.9
85.06537	3.0
85.10189	14.0
89.06018	0.6
91.05484	6.0
93.07052	4.2
95.08611	27.2
95.81051	0.5
97.06581	0.5
97.10169	5.5
99.08101	0.9
99.11734	0.9
105.07038	1.0
107.08593	2.8
109.10160	81.9
110.10487	0.6
111.08084	2.8
111.11741	1.4
113.06057	0.4
117.06989	0.5
119.08585	5.7
121.10168	0.7
123.11705	4.8
125.13284	1.7
127.11138	0.5
129.06992	0.5
131.08543	0.4
133.10133	1.2
135.11690	0.9
137.09616	3.0
137.13237	2.5
139.14919	0.6
147.11699	0.8
149.13266	0.6
151.14859	1.0
155.10651	7.1
157.61151	0.4
159.93346	0.4
161.13258	0.6
165.16499	0.5
173.11748	26.4
189.16385	1.0
191.17970	0.9
203.17928	0.5
221.22705	1.1
227.50792	0.4
239.23682	8.9
246.35147	0.4
274.90393	0.5
288.03101	0.5
325.40170	0.4
467.37366	80.9
468.37784	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.05510	12.5
57.03428	1.8
57.07078	36.5
58.56335	0.5
59.05000	4.2
65.03938	2.0
67.05508	100.0
69.07072	7.5
69.92946	2.2
71.04642	0.5
71.04975	3.1
71.08235	1.1
71.08635	27.6
79.05507	3.3
81.07061	29.5
83.08622	15.8
85.06551	3.8
85.10187	14.9
85.10670	1.3
91.05477	6.0
93.07042	4.1
95.08609	25.5
97.10159	5.2
99.11752	0.8
107.08607	2.5
109.10160	83.7
109.92362	0.7
110.10535	1.1
111.08074	2.8
111.11694	1.1
119.08572	5.5
123.11716	4.5
125.13257	1.2
137.09659	4.1
137.13252	1.4
151.14835	0.8
155.10640	7.2
173.11743	26.1
221.22725	0.9
239.23700	9.4
301.51328	0.7
455.47339	0.6
467.37341	87.0
468.37494	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	467.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05511	11.5
57.00040	0.7
57.03446	1.7
57.07079	35.1
59.05010	4.6
60.29068	0.7
65.03946	2.8
67.05508	100.0
68.79156	0.6
69.07069	8.9
70.46162	1.4
70.46555	1.4
71.05000	3.0
71.08638	26.5
72.08962	0.8
79.05509	3.8
81.07063	28.2
81.07533	1.5
83.08620	16.9
85.06544	2.7
85.10189	15.1
85.87059	0.6
91.05489	6.5
93.07056	3.1
95.08612	27.0
97.10157	5.5
99.08117	1.1
107.08610	2.3
109.10162	80.8
110.10455	1.2
111.08109	3.3
111.11726	1.3
119.08589	5.3
123.11726	5.2
125.13281	1.2
137.09595	4.0
137.13312	2.7
150.73891	0.8
155.10660	9.0
165.72720	0.7
168.98479	0.8
173.11742	20.6
173.13173	1.1
221.22664	1.3
239.23706	8.8
298.46347	0.8
350.15982	0.9
397.57755	0.9
467.37369	88.0
468.37524	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66727	0.7
53.03939	1.8
55.05515	12.8
55.89895	0.6
57.03429	1.7
57.07077	33.7
59.05005	3.6
59.63044	0.5
65.03941	2.5
67.05505	100.0
68.05841	0.7
69.07072	8.7
69.24435	4.1
69.24838	1.3
71.05000	3.0
71.08630	23.7
71.09010	1.3
72.72210	0.6
79.05494	3.3
81.07053	26.4
83.08146	1.4
83.08617	15.6
85.06551	2.6
85.10185	14.4
89.06017	0.8
91.05486	6.4
93.07037	3.4
95.08608	26.8
97.10178	4.5
98.21466	1.1
99.11744	0.9
102.95404	0.7
107.08601	2.1
109.10156	84.3
111.08091	2.7
111.11720	1.8
117.07066	0.7
119.08594	5.2
123.11732	4.0
125.13230	0.8
133.08554	0.9
137.09633	3.4
137.13260	1.9
140.23721	0.6
151.14796	0.8
153.01805	1.1
155.10669	7.2
156.82430	0.6
173.11734	22.6
174.87997	0.6
221.22687	0.8
230.00288	0.8
239.23680	8.1
257.58978	0.7
308.46494	0.7
463.40750	0.7
467.37347	80.9
468.37476	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.2
55.01867	8.1
55.05512	26.4
57.03438	4.7
57.07068	5.3
61.02921	8.2
65.03941	3.5
67.05502	20.7
68.99792	15.0
69.03435	35.6
69.07056	17.9
69.43970	16.2
71.04987	6.2
73.02934	3.8
79.01874	5.4
79.05488	22.6
81.03423	32.2
81.07060	61.4
82.07378	4.9
83.04977	20.3
83.08607	6.8
85.02914	32.8
85.03406	2.0
85.06528	3.1
87.00813	11.9
91.05485	24.3
93.07050	49.1
95.04985	16.4
95.08611	57.4
97.02912	15.3
97.06515	5.3
97.10181	5.2
99.04449	6.7
105.01868	7.6
105.07041	42.7
107.04950	5.5
107.08595	56.1
108.08926	2.5
109.02871	22.4
109.06520	13.3
109.10152	30.0
111.04409	5.8
111.08039	3.6
112.07616	2.0
117.07020	9.1
119.08582	40.4
121.06501	9.3
121.10145	44.6
122.33719	2.2
123.04464	12.7
123.08065	9.9
123.11721	7.7
125.06008	3.1
125.09583	3.6
127.03917	26.2
127.28695	2.5
128.06224	2.6
129.01866	13.1
129.06955	5.3
131.08583	16.6
133.04991	2.4
133.06523	4.1
133.10132	31.0
135.08069	8.0
135.11711	24.7
137.05963	3.1
137.09586	3.4
137.13223	9.5
138.13641	3.4
139.07455	2.2
142.07788	4.4
143.03389	7.1
143.08586	4.6
144.09323	3.9
145.04965	5.0
145.10124	37.3
147.02831	4.5
147.11700	15.3
149.06021	2.8
149.09605	5.4
149.13263	9.6
151.07587	3.2
151.11240	4.5
153.01836	100.0
153.02905	4.9
155.08551	2.9
155.14265	2.7
157.10144	13.0
159.02846	5.0
159.08022	5.6
159.11690	31.0
161.09605	5.7
161.13272	28.0
163.11188	6.0
163.14845	13.3
165.12762	2.7
169.10159	5.3
171.08095	2.2
171.11714	5.5
173.09615	3.2
173.13284	9.0
175.11195	5.8
175.14824	2.9
177.09033	2.9
179.07008	3.3
182.15404	2.7
183.11746	3.6
185.13136	3.9
187.11148	3.1
187.14828	3.3
189.04001	2.9
189.16362	7.9
191.17950	27.6
197.13110	3.8
199.14886	5.0
201.12773	3.5
201.16394	24.4
203.14369	5.0
205.15779	3.1
210.14841	2.8
211.11276	2.9
213.03954	3.2
213.16341	3.3
217.15793	6.3
219.13852	4.1
219.17438	18.0
220.12666	2.3
229.12244	2.9
231.05026	3.4
241.15800	2.3
258.54724	2.4
261.18314	3.1
285.18723	3.0
309.18500	3.0
327.19370	5.8
368.25259	2.6
369.15283	2.4
431.20383	3.3
432.30176	2.2
449.21436	4.6
467.22617	9.4
467.35706	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	467.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
51.02375	0.6
51.48873	0.2
53.03935	0.4
55.01878	0.5
68.99801	0.2
69.03435	4.2
69.32332	0.5
69.32740	1.7
79.01858	5.8
81.03424	1.3
81.07052	1.6
85.02921	0.6
87.00827	0.3
91.05495	0.4
93.07029	0.5
95.04993	0.2
95.08627	0.9
97.02904	2.0
97.55758	0.2
98.31855	0.2
99.04453	0.4
105.07017	0.4
107.01347	1.2
109.02885	0.7
118.00953	0.2
125.02330	2.6
127.03923	2.7
131.04930	0.4
131.08543	0.2
135.11668	0.3
137.13266	0.6
143.03410	6.3
147.04414	0.4
153.01839	100.0
153.02905	6.2
154.02220	0.3
159.04411	0.6
163.03914	0.8
165.01872	0.3
171.02834	0.5
175.03896	0.3
177.05489	0.3
179.03378	1.0
181.01324	0.4
183.02853	0.4
187.42767	0.2
191.03435	1.7
193.05080	0.3
197.23357	0.3
205.04955	0.9
207.02875	1.0
209.04320	0.5
211.10930	0.2
219.02843	0.2
221.04543	0.3
233.04491	0.5
237.03973	1.8
267.05005	0.3
297.06015	1.2
303.05191	0.4
305.05725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.119
Annotation	3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
51.02385	0.7
51.44568	0.5
53.89609	0.6
55.01870	0.6
65.03929	0.8
67.01878	0.5
68.99808	0.7
69.03434	2.4
69.59107	3.2
79.01851	3.3
81.03416	0.8
85.02897	1.9
85.07339	0.5
95.04958	0.9
97.02905	2.8
98.21493	1.1
101.30361	0.5
107.01321	1.5
109.02883	1.3
111.04435	1.6
121.02839	2.8
123.04440	17.5
125.02369	2.2
127.03922	2.3
133.02847	1.0
139.03899	1.8
143.03418	4.4
147.04411	1.1
149.02362	21.9
151.03949	0.7
153.01843	100.0
153.02847	4.0
154.02193	1.0
157.06493	1.6
161.02348	1.5
161.06078	0.6
165.01857	0.9
167.03397	3.4
171.02899	0.8
179.03398	0.9
185.06023	2.4
195.02899	8.6
197.06110	0.7
203.03462	1.0
213.05521	4.7
218.86423	0.6
231.03044	0.9
231.06543	18.0
241.04961	2.4
253.76965	0.6
258.05341	0.8
259.06046	20.4
269.12936	0.8
287.02600	1.1
287.05527	9.9
287.13831	0.9
297.06308	1.1
305.06564	23.9
305.14886	0.7
467.19928	0.7
487.29312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.4
51.02385	0.8
55.01878	0.3
69.03439	3.3
70.75981	0.3
70.90589	0.2
79.01864	5.8
79.05466	0.2
81.03412	0.9
85.02935	0.4
95.05003	0.3
97.02895	1.8
97.38085	0.2
107.01332	1.2
107.05032	0.2
109.02886	0.7
117.98727	0.2
120.08106	0.2
123.00806	0.3
125.02363	3.1
127.03944	2.3
131.04941	0.3
136.07605	0.2
143.03406	5.7
147.04420	0.6
151.03958	0.2
153.01851	100.0
153.02914	6.4
154.02205	0.7
159.04390	0.2
163.03905	0.8
166.05139	0.2
171.02907	0.8
179.03410	0.7
181.01239	0.3
191.03383	1.3
202.40985	0.2
205.05019	0.6
207.03008	0.4
209.04573	0.4
221.04388	0.2
222.00986	0.2
233.04498	0.4
237.04054	1.3
245.31953	0.2
261.03992	0.4
267.04990	0.2
269.12814	0.8
279.04968	0.4
287.13879	0.5
297.05911	1.0
305.05667	0.2
305.14923	0.4
356.41504	0.2
379.56189	0.2
400.81528	0.2
449.07196	0.3
467.08044	0.2
467.14066	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.0
64.09602	0.3
69.03431	0.4
69.35882	0.2
69.39236	1.8
79.01856	6.9
81.03421	1.0
89.66091	0.2
97.02902	1.2
107.01330	1.6
109.02896	0.8
112.86699	0.2
123.00881	0.4
125.02349	3.6
127.03929	0.9
128.78049	0.3
140.08057	0.3
143.03404	6.7
144.76581	0.3
153.01843	100.0
153.02910	6.5
154.02193	0.9
179.17177	0.3
191.03378	0.4
195.02876	0.4
233.04552	0.4
237.04008	0.4
261.04007	0.6
279.04984	0.4
297.06119	0.6
337.98361	0.3
467.08270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.4
51.02373	0.9
51.61330	0.2
52.41956	0.2
53.74687	0.2
68.58541	0.3
69.03421	1.0
70.95504	0.6
79.01857	5.6
79.18601	0.3
81.03410	1.0
85.02914	0.3
91.05507	0.3
97.02887	1.5
107.01323	1.1
109.02879	1.0
125.02324	2.2
127.03922	2.1
135.89180	0.3
139.03851	0.3
143.03394	5.5
143.04506	0.3
153.01836	100.0
153.02899	6.0
154.02174	0.7
156.43423	0.2
171.02895	0.4
173.01842	0.3
184.82713	0.2
191.03448	0.6
208.52802	0.3
237.03944	1.1
260.39597	0.3
279.04749	0.4
297.06134	0.6
317.77283	0.3
424.62234	0.2
449.07141	1.1
467.10474	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.4
57.03429	4.6
57.07076	1.6
61.02918	2.8
66.41007	0.8
67.05524	5.3
69.03428	7.2
69.07061	3.8
71.01357	1.4
71.11674	1.2
73.02926	8.8
79.05499	8.7
81.03395	1.0
81.07059	100.0
82.07382	1.3
85.02909	24.5
87.04462	1.1
95.08604	20.0
97.02899	14.3
103.03956	1.1
109.02889	2.1
109.10162	1.4
115.03941	6.8
127.03947	8.7
130.84697	0.9
133.04970	14.4
137.13261	27.8
145.04965	11.6
150.07607	1.4
151.13303	0.8
163.06039	7.7
217.06982	1.0
223.06009	1.5
241.07114	2.7
241.09799	0.8
259.08353	1.4
291.11938	0.9
315.91779	0.8
353.53027	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.8
55.01874	1.6
57.03431	2.8
57.07072	0.6
61.02927	1.8
67.05511	2.9
69.03440	4.1
69.07065	1.2
71.12458	1.4
73.02923	4.5
79.05495	8.1
81.07059	100.0
82.07378	0.8
85.02911	11.6
85.37234	0.7
87.04460	1.5
93.07078	0.8
95.08601	9.5
97.02905	6.1
109.10177	0.8
115.03956	2.6
127.03878	3.8
133.04971	7.0
137.13261	20.0
137.14246	1.2
145.04970	4.7
150.07626	1.5
153.01822	2.1
163.06073	2.2
167.89450	0.7
208.99898	0.7
241.07275	0.7
269.17548	1.7
283.73309	0.7
402.32172	0.9
419.80289	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
56.27657	1.0
57.03437	5.1
59.04989	1.2
60.88969	1.1
61.02940	2.3
63.53916	1.2
67.05511	1.8
69.03431	6.8
69.77372	1.1
71.08919	2.4
73.02936	6.7
79.05495	8.5
81.03417	2.3
81.07063	100.0
85.02911	25.7
87.04485	2.3
93.07050	1.8
95.08606	7.4
97.02900	12.5
99.04455	1.5
109.02887	2.7
115.03940	6.2
119.08671	1.2
120.75655	1.1
127.03930	8.4
133.04974	11.5
137.13271	27.0
137.14217	0.9
139.11183	2.2
145.04976	10.1
153.01839	8.9
163.06018	8.7
179.70074	1.3
183.13821	1.5
201.14874	2.8
206.52345	1.1
210.73868	1.1
241.07097	2.0
259.08115	4.2
263.96933	1.2
288.09296	1.1
295.10208	2.1
304.05374	1.5
485.60135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	4.3
62.54279	1.3
63.44937	1.2
66.05853	1.2
67.05513	2.4
69.03433	15.3
70.05341	6.4
73.02904	1.6
79.05489	7.1
79.77541	1.2
79.97705	1.3
81.03426	2.2
81.07060	100.0
82.07365	2.1
85.02902	16.5
87.04460	9.9
93.07060	2.7
95.08613	9.9
97.02893	16.0
99.04459	2.0
102.67043	1.5
105.07045	2.3
107.08563	1.8
109.02885	2.1
109.10215	1.5
115.03942	26.0
127.03929	3.7
133.04976	21.7
135.02971	1.5
135.11665	1.9
137.13264	44.1
139.11217	1.6
145.04987	6.9
153.01880	8.1
163.06035	3.6
216.04327	1.5
259.08255	2.4
295.10269	3.8
304.05341	2.6
407.99677	1.6
485.17664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01877	9.6
55.05513	22.1
55.17134	1.4
57.03445	11.6
57.07092	8.9
59.04991	1.3
59.39832	1.2
67.03248	1.3
67.05512	17.2
69.07068	28.3
69.14061	1.5
69.97466	6.3
71.08622	5.2
73.02903	5.7
79.05489	7.6
81.03412	2.9
81.07056	15.0
83.04972	2.1
83.08157	2.0
83.08624	26.0
85.10203	2.5
91.05453	5.1
93.07050	10.3
95.08614	10.9
97.06527	3.1
97.10175	15.1
98.20824	1.5
98.98470	46.7
105.07037	3.5
107.08568	8.0
109.10181	9.0
111.08096	2.0
111.11681	4.5
116.99505	1.3
121.10162	9.6
123.11720	2.0
129.05455	3.2
129.99129	1.4
133.10153	3.6
135.11690	6.4
136.99988	3.2
155.01056	41.6
174.09558	1.3
219.21159	1.5
229.04732	3.1
237.22098	10.4
255.23155	1.6
303.04971	6.5
303.89157	1.3
311.25809	100.0
312.26114	2.5
447.25226	12.1
465.29218	3.3
465.36127	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47202	1.9
53.03948	13.1
55.01871	7.3
55.05275	2.3
55.05515	35.8
56.29864	2.0
57.03436	21.8
57.07073	2.0
63.84418	1.9
65.03942	5.6
67.05511	100.0
67.82092	1.9
69.03420	6.5
69.07075	26.6
71.01371	3.7
71.05006	10.6
77.03928	2.9
79.05501	89.6
81.03421	60.1
81.03794	1.4
81.07061	72.4
81.07535	4.3
83.04985	28.7
83.08638	25.9
85.02436	3.0
85.02913	30.1
85.06542	7.2
91.05485	61.8
93.07052	90.4
95.04975	42.9
95.08624	23.5
97.02907	3.5
97.06532	18.6
97.10183	19.0
99.08072	2.9
104.51740	1.8
105.07045	37.4
107.04982	11.5
107.08599	55.3
109.06530	10.4
109.10165	15.1
111.04446	4.5
111.08092	15.3
113.06036	4.5
115.05468	3.4
117.07016	12.0
119.08583	29.7
121.06536	4.9
121.10153	18.5
123.08091	5.0
123.11731	2.2
125.09634	7.3
129.07010	15.5
131.08603	13.2
133.10153	20.7
135.08069	4.5
135.11696	58.2
137.09630	5.6
139.11156	1.9
142.07816	3.1
144.11566	2.1
145.10133	13.9
147.08110	4.3
147.11699	20.3
149.09637	6.7
149.13252	3.3
151.11244	4.9
153.01823	3.0
153.12801	2.3
157.10129	14.9
159.11714	3.1
163.11171	9.7
165.12743	5.6
175.11176	18.9
177.12737	2.7
178.52396	2.1
181.12256	8.1
193.04970	2.7
193.12259	67.0
211.13297	66.0
237.14894	2.8
253.14333	2.8
255.15921	5.5
256.26273	3.2
267.15906	4.8
267.21423	2.2
285.16898	3.0
303.05121	10.1
322.05273	2.0
329.20978	3.9
347.22025	2.8
355.22617	4.2
373.23718	5.5
403.24792	2.4
447.27441	11.0
465.28510	88.8
487.37155	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.6
52.67373	1.3
53.03952	8.6
55.01875	7.8
55.05515	42.8
57.03197	1.8
57.03444	22.9
57.07082	2.9
65.03942	5.9
67.05509	100.0
68.05838	1.3
69.03418	6.0
69.07069	26.5
69.16676	8.2
69.17101	8.6
71.01349	5.3
71.04999	12.6
77.03920	2.5
79.05496	88.7
80.05832	1.6
81.03421	71.4
81.07061	66.8
82.07403	1.8
83.04985	28.8
83.08625	28.9
85.02908	34.8
85.06554	7.2
91.05487	67.5
93.07046	85.0
93.58655	1.6
95.04974	53.9
95.08607	24.6
97.02892	5.3
97.06539	20.2
97.10181	17.5
98.21543	3.0
99.08092	2.9
103.05469	1.9
105.04517	3.2
105.07035	36.7
107.04968	9.5
107.08598	47.9
109.06520	11.1
109.10149	16.7
111.04450	6.0
111.08080	15.5
113.06010	3.6
115.05465	4.0
117.07034	13.7
119.04905	1.8
119.08582	32.2
121.06505	4.4
121.10160	18.8
123.08089	4.8
123.11734	2.9
125.09618	5.2
125.20145	1.4
127.07470	1.9
127.73965	1.4
128.06221	1.9
129.07005	15.0
131.08577	14.8
133.06506	3.3
133.10141	21.8
135.08073	3.9
135.11694	61.3
135.12733	3.4
136.12007	1.6
137.09619	3.6
142.07764	2.6
145.10141	16.8
147.08072	6.5
147.11691	19.2
149.09676	8.3
149.13376	1.8
151.11182	3.2
153.01874	2.4
157.10133	14.8
159.11681	2.2
163.03015	1.9
163.11182	10.8
165.12773	3.1
169.10184	2.2
171.11687	2.3
173.11671	1.5
175.11195	16.0
177.12807	1.6
181.12257	8.2
189.11232	3.1
193.12250	66.8
199.13239	1.7
211.13301	79.9
223.13278	2.8
249.14992	2.8
253.14348	2.4
255.15982	6.2
267.15863	7.5
303.04910	15.3
329.21280	4.2
347.22037	2.5
355.22726	3.3
373.23727	6.3
445.46530	1.6
447.27393	9.7
465.28503	85.3
466.28714	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	466.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.0
69.03417	2.0
69.76241	0.5
71.10022	1.3
73.02897	0.5
79.01871	0.7
81.03422	1.8
85.02914	2.0
95.04961	0.6
97.02882	0.8
98.95143	0.5
111.61734	0.5
115.05418	0.6
121.21991	0.5
127.03927	0.8
138.05516	0.5
139.03902	1.2
148.03857	0.6
153.01848	11.4
153.02980	0.6
156.08096	1.1
157.06511	0.5
158.09689	1.0
167.84070	0.5
171.04439	2.0
174.09157	1.7
184.07594	9.4
185.06024	1.6
189.05489	6.6
196.07611	0.6
199.03934	1.3
200.07019	1.3
202.08658	4.0
203.07149	0.5
212.07085	10.7
212.09032	0.9
213.05446	1.0
214.08667	0.9
215.05772	1.5
216.06548	0.6
217.05003	7.1
218.05670	2.8
228.06555	3.4
229.05290	0.6
229.07222	2.7
229.53221	0.6
230.08142	12.7
232.03323	0.6
240.06596	5.7
241.07426	1.4
242.08153	0.8
243.05405	2.1
244.06094	1.7
245.06834	1.2
246.07712	1.4
256.06061	1.1
257.06870	2.6
258.07645	51.7
259.08328	4.4
260.09082	1.3
268.05994	1.3
269.06958	0.7
271.08301	0.8
273.06335	11.9
274.07117	20.0
275.07935	2.2
276.08829	0.8
277.03436	1.3
278.03827	2.1
286.07120	51.1
287.07880	3.3
288.08691	1.5
303.04831	0.7
304.05392	1.4
304.08191	31.3
305.08554	0.7
379.59357	0.6
466.13501	100.0
467.13705	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	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.21310	0.3
53.03941	0.7
55.01872	1.1
57.03444	1.9
61.02939	2.4
67.05497	1.1
68.99777	1.1
69.03088	0.5
69.03432	6.7
69.07061	0.7
70.92052	0.9
71.01337	0.4
71.04974	0.8
73.02914	2.8
79.05466	0.6
81.03415	3.2
81.07037	1.6
81.61059	0.3
83.04974	0.4
85.02908	16.8
87.04462	1.3
91.03950	1.4
91.05492	0.5
93.03378	0.4
93.07029	1.3
95.04948	0.8
95.08604	0.8
97.02895	5.3
99.04452	1.1
103.03915	0.4
104.43929	0.4
105.07028	1.3
107.04952	0.5
107.08574	0.7
109.02888	2.2
109.06495	0.6
109.10140	0.8
111.00779	1.4
111.04460	0.4
115.03894	0.9
119.08510	0.4
120.51750	0.3
121.02885	2.3
121.10139	0.8
123.04450	0.7
127.03916	4.2
129.06969	0.3
129.14606	0.3
131.08585	0.4
133.10132	0.5
135.04367	0.4
135.11703	0.5
135.39125	0.4
137.02354	4.0
137.05969	1.7
143.08507	0.5
145.04953	2.2
145.06456	0.6
145.10173	0.4
147.04419	0.6
147.11664	0.4
149.02344	0.7
153.00737	0.6
153.01852	6.2
161.05969	0.8
163.03914	1.2
165.01848	3.0
171.11514	0.4
173.06000	0.8
183.02905	1.1
183.04414	0.5
187.04025	0.4
201.05473	2.5
205.05109	0.4
217.05109	0.5
219.06532	0.8
228.04240	0.5
229.04967	6.4
245.04393	0.4
245.09752	0.4
247.06204	0.5
257.04480	3.4
258.05096	0.5
274.04745	1.0
285.03912	1.5
287.05499	8.0
288.05505	0.5
301.03494	0.6
301.06946	0.6
302.04172	1.1
302.07291	0.5
303.04996	100.0
304.05225	2.0
327.05035	0.5
331.04645	0.4
334.55231	0.4
345.06100	1.6
391.08231	2.0
433.09128	1.4
465.12323	3.9
465.23053	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	465.1031
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01867	0.6
61.02924	1.1
67.05516	0.7
68.99777	0.7
69.03430	1.7
69.96184	0.9
69.96578	1.2
70.06595	0.8
73.02924	15.1
79.05469	0.4
81.03416	1.2
81.07065	0.8
84.08118	0.5
85.02917	5.6
85.68806	0.4
87.04450	1.4
91.03954	0.9
91.05497	0.7
93.07038	0.9
95.08617	0.5
97.02878	1.8
97.99599	0.4
99.04465	0.8
109.02864	1.0
109.10133	0.5
111.00788	0.9
118.74574	0.4
119.08578	0.6
121.02856	1.3
123.04437	0.6
127.03922	1.3
131.08589	0.8
137.02353	3.8
145.04953	0.6
153.01846	5.9
163.03960	0.7
165.01813	2.4
183.02878	1.0
201.05505	2.2
229.04993	3.9
247.06097	0.6
257.04498	2.7
271.49536	0.5
274.04691	0.8
285.04019	1.2
285.08640	1.3
287.05453	1.4
303.05008	100.0
304.05313	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	465.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
57.03443	0.5
61.02936	2.0
68.99790	0.9
69.03139	0.3
69.03432	3.5
69.44197	1.9
69.44608	0.8
71.05003	0.4
73.02917	0.7
81.03429	2.0
85.02911	8.4
91.03946	0.9
91.04975	0.3
95.04959	0.4
97.02897	3.5
98.76518	0.3
99.04456	0.7
109.02871	1.4
111.00819	0.8
121.02914	0.7
127.03951	1.8
137.02385	3.4
137.03346	0.6
145.04977	1.2
149.02299	0.5
153.01857	5.2
155.04927	0.5
161.06046	0.5
163.03987	0.7
165.01834	2.8
166.02635	0.4
173.05966	0.8
183.02899	0.4
183.04431	0.4
186.66089	0.4
201.05450	2.5
229.04996	5.7
247.05933	0.6
257.04474	2.6
274.04691	0.8
285.03906	1.1
303.05014	100.0
304.05276	1.9
315.04932	0.5
452.06039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03940	0.5
55.01868	0.3
57.03423	0.9
61.02931	4.3
68.99781	0.8
69.03445	2.0
69.91314	1.7
73.02908	1.5
81.03427	1.9
83.20987	0.3
85.02906	7.4
87.04429	0.4
90.98359	0.4
91.03963	1.8
91.05474	0.4
93.07058	0.6
95.04996	0.4
97.02915	3.2
99.04477	0.5
99.67147	0.3
109.02879	0.7
111.00803	0.7
117.71339	0.3
121.02854	1.4
123.04445	0.6
127.03922	2.0
133.10147	0.6
137.02348	3.3
145.04979	1.1
148.07568	0.3
149.02353	0.6
150.72983	0.3
153.01843	5.8
155.04860	0.6
161.05965	0.4
163.03848	0.8
165.01866	1.9
173.06049	0.5
183.02898	0.7
195.02916	0.4
201.05476	2.0
201.34853	0.3
221.00891	0.4
221.23355	0.4
229.04956	4.5
247.06050	0.8
257.04407	2.9
274.04675	0.8
285.03870	1.1
303.05008	100.0
304.05350	1.9
315.04968	0.9
337.68225	0.4
345.06125	1.1
369.05930	0.6
381.06100	0.4
432.83795	0.4
465.10251	0.4
470.15274	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03938	1.0
55.01863	0.9
55.05488	0.5
57.03426	1.3
61.02930	3.3
67.05525	1.0
68.99789	1.5
69.03432	3.1
70.06587	1.0
71.04984	0.9
71.51426	0.8
71.95109	0.5
73.02908	1.6
79.05486	0.8
81.03423	3.2
81.07064	1.3
83.01402	0.4
83.04995	0.8
83.08633	0.4
85.02912	9.9
86.09683	0.8
87.00808	0.6
87.04446	0.5
91.03948	1.5
91.05492	1.1
93.07025	1.2
95.04970	1.2
96.43295	0.4
97.02906	4.3
98.00628	0.4
99.04446	1.2
105.07031	1.5
107.04958	0.7
107.08604	1.1
109.02859	1.5
109.10162	0.5
111.00802	1.3
112.11244	0.5
117.07003	1.1
119.08594	1.0
121.02843	1.5
121.10093	1.0
123.04446	0.8
123.11725	0.7
127.03926	2.5
129.06915	0.6
133.10097	0.5
135.04439	0.9
135.08086	0.8
135.11700	0.9
137.02351	4.8
137.06006	0.6
140.07047	0.5
143.08588	0.5
145.04967	1.3
145.10112	0.8
147.11668	0.6
149.09653	0.5
151.03937	0.8
153.01819	6.7
157.10143	1.0
161.06036	0.7
163.03854	0.6
165.01883	2.3
171.41310	0.5
173.06012	0.8
183.02902	1.2
199.14856	0.7
201.05492	2.8
229.05032	5.5
247.06059	0.5
257.04404	3.1
274.04871	0.8
285.03912	1.5
285.12518	0.5
287.05457	2.2
303.05011	100.0
304.05420	1.8
465.13757	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
57.03423	0.7
57.12077	0.3
61.02649	0.5
61.02932	6.6
65.88918	0.4
68.99777	0.8
69.03413	0.7
69.61282	2.6
71.05000	0.4
73.02907	1.6
73.71859	0.4
82.34100	0.3
82.49075	0.4
85.02433	0.5
85.02901	5.2
91.03979	3.2
97.02906	3.1
99.04486	0.5
109.02879	0.8
111.00794	1.0
115.03933	0.6
115.37592	0.5
117.06921	0.4
121.02874	1.0
123.04399	0.6
127.03890	0.9
128.51256	0.5
137.02357	4.1
137.03336	0.6
138.27998	0.4
145.04970	0.8
149.02350	0.5
153.01820	5.5
159.00009	0.4
161.05977	0.4
163.03810	0.5
165.01869	2.7
171.19318	0.4
173.06017	0.7
183.02905	0.7
201.05486	2.7
205.04919	0.5
219.06480	0.4
229.04988	5.9
247.06041	1.3
257.04495	3.1
274.04794	0.6
285.03854	1.2
303.05008	100.0
304.05441	2.2
315.05057	0.7
384.12402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03942	0.6
55.01870	0.5
57.03429	0.9
58.50902	0.4
59.84936	0.4
60.41915	0.4
61.02911	1.5
66.86778	0.4
68.71107	0.4
68.99812	0.7
69.03443	2.3
69.44875	0.9
69.45280	2.1
71.53900	0.5
73.02900	0.6
79.94104	0.4
81.03415	1.5
82.29347	0.4
85.02914	8.1
90.82838	0.4
91.03952	0.9
95.15775	0.5
97.02911	3.4
98.21547	0.8
99.04473	0.9
109.02854	1.2
111.00789	1.0
121.02849	1.0
127.03926	1.7
136.45399	0.4
137.02344	3.4
140.86925	0.4
145.04964	1.5
153.01848	4.2
163.03894	0.6
165.01866	2.6
183.02879	0.7
183.04427	0.5
187.03885	0.9
201.05492	1.6
229.04961	4.5
257.04520	2.3
274.04706	0.7
285.04001	1.1
285.80273	0.6
303.05011	100.0
304.05383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60863	1.5
53.03949	2.3
54.82021	1.4
55.01885	2.1
57.03434	4.0
62.06088	5.1
62.77626	1.7
69.03416	4.8
70.06593	4.9
71.03374	2.8
73.02898	2.4
79.05495	2.1
81.03413	2.6
83.67609	1.5
85.02913	9.8
93.06999	1.6
95.04999	3.2
97.02898	5.7
103.05465	3.3
109.02913	1.8
113.06814	1.4
116.01660	2.1
121.02861	2.6
124.07662	2.0
127.03941	5.1
131.04935	11.0
135.04431	100.0
138.05539	8.4
138.09145	2.4
145.05025	1.7
147.04420	2.5
147.53889	1.4
149.05934	1.7
150.12846	1.8
153.01848	4.2
153.05479	58.7
156.10249	9.8
218.10953	1.7
231.02975	2.8
259.02380	3.7
259.11285	1.9
277.00665	2.7
277.03397	13.8
303.01349	4.4
303.04700	2.8
304.23779	1.8
306.42072	1.6
352.66470	1.8
418.96515	1.9
420.24976	5.0
464.15646	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	464.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03674	1.8
53.03938	5.4
55.01862	8.5
55.05502	5.9
57.03441	20.3
59.04984	2.5
60.39217	1.5
61.02918	8.6
65.03942	2.6
67.05489	6.5
69.03432	22.9
69.07055	4.2
70.15969	6.8
71.01343	4.5
71.04974	2.6
73.02928	23.1
78.24628	1.8
79.05482	7.8
81.03397	5.5
81.07063	19.0
83.04998	3.2
83.08592	2.0
85.02912	56.5
87.04467	4.7
91.03947	2.1
91.05486	16.0
93.07052	74.6
95.08620	42.1
97.02895	30.1
97.06509	3.0
103.03941	2.8
105.07030	14.4
107.07877	3.9
107.08602	72.4
109.02879	3.1
109.10154	5.2
115.03938	21.0
119.08583	7.6
121.10128	4.2
127.03931	17.7
131.08575	5.4
132.06573	2.3
133.04977	30.0
133.10118	8.2
135.11705	100.0
137.13205	2.0
143.08542	5.0
145.04947	16.1
145.10114	3.9
147.11667	5.4
149.09634	2.3
150.07686	3.2
153.12756	39.0
154.59685	1.8
157.10107	4.4
159.11655	4.2
161.09547	2.2
163.05968	4.5
163.11177	7.5
164.28264	2.0
165.12756	10.8
171.11659	3.4
177.12685	4.0
183.11652	3.3
189.12732	3.9
207.13791	1.9
219.13770	2.9
249.14832	3.6
259.08167	3.5
261.14700	3.3
279.15961	7.8
301.07062	8.5
302.07419	25.1
303.05023	3.3
344.80093	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	464.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.5
55.01860	4.4
55.05507	6.1
57.03437	6.9
61.02916	2.9
65.03934	1.9
67.05495	3.2
69.03436	8.9
69.07053	3.6
69.30318	8.3
71.01349	1.5
72.04501	1.3
73.02930	8.7
79.05499	16.5
81.03410	3.8
81.07043	4.0
84.67600	1.2
85.02910	18.9
87.04478	3.0
91.05482	23.0
92.94043	1.2
93.07047	87.9
95.04976	5.9
95.08586	3.0
97.02898	13.2
98.21584	1.9
103.03918	1.7
105.04485	1.3
105.07012	8.1
105.74104	1.0
107.08598	100.0
108.08932	1.9
109.06516	2.4
115.03928	7.4
119.06079	2.1
119.08571	2.3
121.10149	2.4
127.03928	5.1
132.06540	1.5
133.04970	10.5
133.10158	1.4
135.11696	55.6
145.04971	5.6
149.87274	1.2
150.07616	4.6
163.06097	1.6
182.42302	1.0
204.98738	1.1
234.06279	1.1
301.07172	2.2
302.07260	6.9
338.80261	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
55.01884	5.3
55.05512	1.7
57.03438	9.1
59.05001	1.7
61.02923	5.1
67.05510	1.3
69.03438	15.5
69.07079	1.7
69.90777	3.7
69.91190	2.0
71.01345	1.7
72.04543	1.0
73.02921	13.2
79.05494	18.2
81.03428	3.8
81.07066	2.1
85.02909	40.8
87.04474	3.1
91.05487	15.2
93.07049	100.0
94.07414	1.5
95.04990	2.9
95.08598	2.8
97.02902	21.0
99.04420	1.6
103.03973	1.7
105.04503	1.4
105.07041	5.8
107.08604	30.8
109.02902	3.9
109.10092	1.1
115.03933	11.9
117.07043	1.6
119.08545	1.5
121.10135	1.4
123.11819	1.2
127.03934	11.7
129.07027	1.3
132.06619	1.3
133.04964	15.5
133.10135	2.3
134.23293	1.3
135.11703	46.2
143.08585	1.7
145.04971	11.9
145.10172	1.5
146.59753	1.4
147.08073	1.6
147.11705	1.7
150.07628	4.3
153.12784	3.1
159.11746	1.1
163.06038	4.4
201.12761	1.2
223.05968	1.5
241.07115	1.6
249.15067	1.7
259.08191	1.6
261.14960	1.7
267.15726	1.8
302.07388	3.9
372.29260	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3786
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05511	31.4
57.07082	39.2
67.05490	20.7
69.07077	51.1
71.04976	16.0
71.08635	32.7
78.85852	5.6
79.05466	6.5
81.07058	26.2
83.08626	35.0
85.10186	10.9
91.05492	14.9
93.07055	14.8
95.08612	19.3
97.06517	5.9
97.10199	27.7
98.21523	12.6
99.04491	7.2
101.00922	5.1
105.07018	7.0
107.08581	12.2
109.06535	13.6
109.10188	23.9
111.04391	5.0
111.08054	8.5
111.11734	21.4
118.24699	4.8
121.06551	7.6
121.10149	8.2
123.08056	10.9
123.11751	7.0
125.05996	48.2
125.13328	6.5
127.03922	21.0
131.08594	7.3
133.10143	5.9
135.08023	9.1
137.05986	38.4
137.13283	7.3
139.07556	43.8
149.05983	7.7
149.09650	13.9
151.07553	19.5
159.11794	5.4
163.11089	5.4
165.05537	14.1
167.07021	27.5
169.66806	5.0
177.09129	100.0
179.07082	14.9
181.08528	12.9
189.12657	7.8
193.08762	10.9
224.18625	5.2
313.33975	4.9
399.36285	15.5
400.67239	5.5
403.36102	27.3
417.37302	16.9
427.35818	19.6
445.36871	58.5
459.63855	6.0
463.37769	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	464.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.01879	14.9
57.03439	29.1
58.92247	2.7
61.02927	14.8
61.31488	2.8
62.19190	2.6
69.03436	40.7
70.02201	8.6
70.02595	6.2
73.02921	93.0
76.24767	3.2
81.03418	9.4
85.02911	100.0
87.04479	6.4
91.03965	5.8
97.02901	69.5
99.04450	7.9
103.03929	5.4
107.18599	2.7
109.02895	3.3
114.35930	2.6
115.03941	41.3
120.08151	3.8
121.02876	52.8
122.58995	2.9
127.03900	32.3
133.04974	50.6
145.04955	42.3
153.01883	4.1
153.05473	88.7
163.05998	13.7
165.28665	2.5
223.05980	7.5
241.07190	8.1
243.08719	6.9
244.09691	4.7
259.08298	5.4
260.93240	2.6
270.25281	2.7
277.03326	3.3
301.07166	7.8
302.07449	23.6
303.04980	31.7
306.96472	2.6
378.15338	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	465.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
57.03429	1.0
61.02911	0.5
69.03435	6.6
70.10547	2.0
70.66132	0.4
71.04988	1.3
73.02921	2.0
81.03416	5.0
85.02909	5.8
86.03065	0.4
87.04472	0.6
91.05489	0.7
97.02915	2.1
99.04442	1.2
101.02385	0.4
103.05426	1.1
105.91633	0.5
109.02870	1.9
116.02583	0.5
123.04413	0.5
127.03919	10.1
131.04916	0.8
137.02383	0.7
137.05948	0.6
144.13914	0.4
147.04416	1.4
151.03897	0.5
153.01817	1.8
157.02855	1.4
163.03882	0.8
173.02368	1.2
175.03879	2.2
185.02344	1.8
187.03934	4.5
191.03423	1.9
201.01797	2.6
203.03363	3.5
204.57027	0.4
213.01842	5.0
215.03391	4.6
219.02922	1.2
227.03706	0.5
229.01340	1.8
229.05098	0.4
230.02014	0.5
231.02896	21.0
241.01321	4.5
247.02332	2.7
257.00784	3.5
259.02393	32.6
260.02945	0.6
261.03885	0.8
267.11151	1.1
275.01849	5.4
276.02582	2.8
277.03439	100.0
278.03864	1.5
285.00345	2.6
285.12418	0.7
303.01401	46.7
303.04855	4.5
303.13394	1.2
304.01630	1.1
315.05075	0.5
321.02481	1.6
363.03503	3.5
465.06693	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	463.3786
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05506	11.2
57.06831	2.5
57.07083	29.2
57.71346	2.0
61.98230	1.9
67.05499	8.5
68.12075	1.6
69.07074	24.2
71.08640	20.2
71.52051	4.0
79.05490	7.0
80.27908	1.7
81.07065	17.2
83.08616	15.8
85.10194	13.5
91.05478	6.1
93.07056	6.4
95.08611	15.4
97.02935	2.0
97.06536	2.8
97.10179	10.2
99.04476	4.2
105.07021	5.7
107.08605	8.4
109.06533	12.4
109.10157	6.6
111.08072	2.3
111.11720	2.9
119.08569	4.5
121.06487	2.7
121.10120	5.3
123.08099	12.7
125.06010	15.8
127.07565	36.9
131.08624	3.1
133.10162	3.5
135.11743	2.3
137.05972	5.0
137.09637	4.1
139.07552	100.0
145.10193	2.2
147.11699	4.2
149.06012	3.4
149.09619	3.5
151.07561	10.2
163.07518	3.0
165.09042	2.8
167.07082	5.8
171.15887	2.3
175.14732	2.4
177.09192	12.9
179.07101	2.3
185.13304	2.7
189.12686	2.0
195.11772	2.0
219.14227	1.8
276.07449	2.1
301.28925	3.7
305.17365	2.1
319.30042	9.7
347.33023	16.3
373.31119	5.5
399.36362	3.7
417.37238	16.2
427.35837	2.1
445.36841	37.1
463.37936	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	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
51.69778	2.4
53.03966	2.4
55.05509	14.0
56.75588	2.3
57.06833	2.8
57.07083	36.8
57.45146	2.4
63.56966	2.3
67.05506	13.5
69.07074	26.9
71.08640	28.9
71.52058	3.4
79.05500	7.8
81.07067	23.9
83.08627	16.0
85.10188	10.5
91.05492	7.0
93.07044	8.9
95.08614	19.7
97.02898	2.6
97.06535	3.8
97.10191	14.6
99.04461	4.6
105.07040	8.5
107.08596	5.6
109.06521	15.5
109.10142	10.6
111.11723	7.0
119.08611	5.1
121.10141	4.7
123.08088	17.9
123.11718	5.8
125.06009	12.1
125.09664	2.5
127.07559	40.1
128.55081	2.6
133.10161	3.1
134.55762	2.3
135.08044	5.1
137.05988	10.5
137.06955	2.4
137.09630	5.3
139.07553	100.0
141.16275	2.9
149.05936	4.7
151.07564	14.5
159.11705	2.7
161.13260	2.7
163.07574	4.3
163.14972	2.3
167.07094	5.1
175.14859	2.6
175.57120	2.2
177.09143	14.7
179.07010	2.5
202.83287	2.3
218.55550	2.3
247.03107	2.5
249.14851	3.2
301.28827	3.1
319.29758	11.6
347.33246	12.7
399.36459	4.0
403.35236	4.9
411.14746	2.6
417.37155	16.6
427.35815	3.6
436.11127	2.5
445.36819	52.6
463.37955	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Verbacine
Peak:m/z	Relative Intensity
52.07319	1.4
53.03938	5.4
55.01855	3.4
55.05513	19.9
57.03425	6.0
57.07077	2.9
60.50312	1.4
65.03947	4.3
67.05508	77.4
69.07069	30.4
71.04974	4.3
73.51914	1.4
74.58338	1.5
79.05496	47.0
81.03425	4.7
81.07060	100.0
83.04970	8.0
83.08626	16.6
85.06544	3.8
91.05485	32.9
93.07047	71.4
95.04983	4.9
95.08604	28.3
97.06529	14.9
97.10167	4.7
99.08095	2.9
105.07046	13.8
107.08594	33.5
109.06535	4.0
109.10150	6.3
111.08070	9.4
116.19835	1.8
117.07020	12.2
117.40395	1.7
119.08582	5.9
121.06505	4.9
121.10166	16.7
123.11725	4.8
125.09663	2.0
125.56998	1.4
129.07022	2.6
131.08566	13.9
133.10129	14.1
135.08055	2.6
135.11702	10.8
139.11156	2.7
143.08479	1.5
145.10135	3.6
147.11684	1.8
148.23999	1.7
149.13266	38.2
151.11150	2.4
159.11716	14.9
167.14406	2.2
171.11765	2.6
177.12749	7.7
183.11647	1.7
195.13831	16.0
213.14828	2.9
233.15370	2.1
269.93634	1.9
271.49585	1.5
353.24567	3.2
371.25797	4.3
389.27045	2.3
389.90155	1.7
445.29495	5.1
463.30573	63.5
464.30792	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	463.3058
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.66499	0.9
51.02394	1.0
53.03949	6.8
55.01881	4.3
55.05517	19.8
57.03441	7.5
57.07081	3.2
59.05002	0.9
65.03947	5.0
67.05508	82.4
68.05839	1.4
69.03439	1.5
69.07073	28.9
70.76189	1.6
70.76535	2.6
71.01395	1.0
71.04996	6.7
71.08631	1.7
73.02925	1.4
73.67789	1.0
77.03927	1.7
79.01842	1.4
79.05499	62.0
81.03431	6.6
81.07062	100.0
82.07413	1.3
82.93237	1.1
83.04986	9.8
83.08629	19.8
85.02883	1.4
85.06542	4.8
86.85210	1.2
91.05483	35.8
93.07050	77.9
95.04972	10.5
95.08612	31.1
97.06533	16.1
97.10195	2.4
99.04501	1.2
99.08127	4.2
105.04551	2.9
105.07034	14.6
107.04996	3.8
107.08606	41.9
109.06549	3.3
109.10178	7.7
111.08073	9.3
113.06062	1.4
113.09638	1.6
117.07027	12.4
119.08600	5.5
120.08997	1.0
121.06526	2.9
121.10145	23.4
122.06087	1.0
123.08097	1.8
123.11723	1.8
129.07014	1.7
131.08574	11.7
131.09430	1.2
133.10146	12.7
135.08087	2.4
135.11694	15.8
135.12589	1.4
139.11247	2.4
145.10165	4.8
147.11717	3.4
149.09731	2.7
149.12051	2.2
149.13263	45.1
151.11211	1.6
153.01849	13.7
153.02965	1.9
153.78705	1.0
157.10181	1.7
159.11707	19.2
161.13365	1.2
163.11285	4.4
167.14354	1.1
169.10136	1.2
173.09677	1.3
177.12778	10.9
181.12260	2.5
191.10635	1.6
195.13835	16.5
197.08533	0.9
213.14969	2.8
227.12836	5.3
251.16447	1.5
275.20038	1.5
371.26141	2.2
389.26862	1.5
445.29315	2.4
463.30771	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.9
54.44538	1.0
55.01867	4.7
55.05270	1.4
55.05517	21.4
57.03447	7.5
57.07069	3.2
61.98652	1.0
65.03947	5.6
67.05511	81.0
68.05831	1.3
69.06732	2.0
69.07075	25.4
71.04995	6.5
79.05501	60.4
79.59653	1.3
81.03422	5.9
81.07066	100.0
83.04990	10.1
83.08623	17.5
85.02922	1.3
85.06539	4.6
85.53286	0.9
91.05486	36.3
93.07055	79.8
94.32350	1.0
95.04987	8.5
95.08619	28.2
97.06533	16.2
97.10168	4.1
99.08094	3.3
101.22852	1.2
105.04528	3.1
105.07024	13.3
107.04961	3.7
107.07876	2.4
107.08604	44.6
109.06538	3.5
109.10172	5.6
111.08094	8.7
115.05429	1.2
115.19463	1.1
117.07022	13.3
119.08586	6.0
121.06525	3.2
121.10155	21.4
123.08059	1.5
125.05975	1.0
125.09640	1.5
128.06161	1.0
129.07043	1.5
129.12518	1.0
131.08604	10.6
133.10123	10.2
135.08075	3.1
135.11710	20.3
139.11186	3.4
140.30000	1.0
145.10123	4.1
147.08029	1.3
147.11766	2.2
149.09537	1.6
149.13275	46.9
151.11179	1.2
153.12761	1.3
156.76260	1.1
157.25734	1.0
158.62787	1.0
159.11711	20.0
163.11189	5.3
167.14378	1.8
173.09659	1.2
177.12755	9.8
181.12289	1.4
195.13834	17.4
209.11812	1.6
213.15001	2.6
214.30858	1.2
215.24454	1.1
219.13770	2.2
227.12764	3.1
250.81573	1.2
402.33423	1.3
463.31006	56.9
464.30832	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	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.4
55.01859	3.9
55.05270	1.6
55.05513	18.9
57.03448	6.3
57.03695	1.1
57.07075	2.1
63.12317	0.9
65.03936	3.4
67.05510	75.0
69.07072	25.3
69.27921	1.2
69.28246	9.7
70.92292	1.0
71.04983	3.9
79.05499	53.7
81.03413	4.1
81.07061	100.0
82.07319	1.2
83.04982	8.1
83.08624	19.6
85.06536	4.9
91.05488	32.6
93.07050	72.7
95.04975	10.4
95.08617	25.8
97.06543	13.0
97.10139	2.3
99.08075	3.0
105.04549	1.9
105.07039	15.5
107.08603	36.1
109.06544	4.3
109.10164	5.3
111.08088	6.5
113.09632	1.7
117.07030	12.7
119.08595	6.0
121.06484	2.5
121.10159	18.6
123.08052	1.2
123.11703	4.6
125.09587	1.4
125.45353	1.3
127.07513	1.3
129.07021	3.0
131.08578	15.5
133.10150	14.6
135.08060	3.3
135.11702	12.2
139.11180	1.9
140.32710	1.0
141.07040	1.2
143.08577	3.0
145.10162	2.8
147.11693	2.9
149.13272	38.0
157.10097	1.8
159.11705	16.1
167.14381	1.1
175.14833	1.0
177.12781	6.6
183.11842	1.4
195.13811	16.2
213.14751	2.0
214.43002	1.1
233.15157	1.6
289.46161	1.2
309.77286	1.1
343.26117	1.5
353.24878	2.2
371.25882	4.7
389.26941	3.8
430.62637	1.1
445.29257	6.2
463.30554	58.6
464.30640	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02396	0.9
52.34801	0.9
53.03947	6.1
54.70693	1.1
55.01865	4.0
55.05516	19.0
57.03447	7.9
57.07068	2.4
65.03944	4.0
67.05510	79.9
69.07073	25.0
71.05005	7.0
71.51288	1.7
77.03939	1.2
77.74763	1.0
79.05502	55.6
81.03429	4.9
81.07064	100.0
82.07392	1.2
83.04976	8.0
83.08624	15.6
85.06538	4.3
91.05487	31.2
93.07050	64.5
95.04976	8.7
95.08614	25.5
95.09176	0.9
97.06541	13.5
97.10176	2.3
99.04472	1.1
99.08118	5.1
105.04547	1.8
105.07046	15.2
107.04965	2.8
107.08599	35.1
109.06528	3.6
109.10195	5.8
109.10847	0.9
111.08078	6.6
111.11723	1.5
117.07025	13.7
119.08600	6.9
121.06495	2.4
121.09325	1.8
121.10155	22.3
123.08062	1.6
123.11720	4.0
125.09647	2.2
127.07607	1.3
129.07027	2.4
131.08575	14.6
133.10161	11.7
135.08107	2.8
135.11685	12.8
139.07468	0.9
139.11198	1.6
143.08580	2.2
145.10135	5.2
147.11649	1.9
149.09583	1.5
149.13271	44.2
150.13516	0.9
151.11208	1.5
153.09215	1.1
157.10120	1.8
159.11713	19.8
165.12721	1.2
167.14328	2.5
171.11740	1.6
177.12753	10.2
185.13293	1.4
195.13817	16.6
205.30244	1.0
213.14867	3.3
227.12749	1.4
237.58241	1.0
251.02368	1.0
353.24573	1.9
371.25818	4.5
381.50415	1.1
389.26822	3.5
445.29501	7.1
463.30588	66.4
464.31262	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	463.3058
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03946	4.9
55.01867	2.7
55.05517	22.0
57.03436	7.2
57.07064	3.2
65.03936	3.7
67.05510	84.1
69.03420	1.7
69.07075	29.0
71.05006	5.9
73.02898	1.2
78.55834	0.9
79.05499	57.8
81.03409	3.6
81.07063	100.0
83.04990	8.7
83.08156	1.3
83.08624	16.1
83.09071	1.8
85.02890	1.8
85.06555	5.0
91.05490	32.2
93.07050	72.9
95.04981	9.0
95.08615	24.8
95.09182	2.0
97.06542	14.9
97.10180	2.6
99.08118	5.3
105.04539	1.8
105.07024	15.3
105.69798	1.1
107.04984	1.3
107.08601	42.1
107.17226	1.1
109.06529	4.0
109.10155	4.6
111.08092	8.2
113.09661	1.6
117.07023	13.4
119.08611	3.7
121.06506	3.8
121.10144	23.3
123.08064	1.3
123.11716	3.3
126.65422	1.0
127.07662	1.1
131.08575	14.7
133.10141	12.6
135.08080	2.8
135.11685	11.7
139.11212	2.9
141.17908	1.2
143.08528	1.6
145.10124	2.6
147.11694	1.9
147.45598	1.0
149.09677	1.1
149.13271	50.6
151.11188	1.3
159.11713	17.8
160.95692	1.0
162.13124	1.3
167.14343	1.2
173.11772	1.1
177.12740	9.8
183.11836	1.2
195.13821	19.8
213.14919	2.4
251.16510	1.4
267.09024	1.5
269.17691	1.4
285.10263	1.3
353.24634	1.8
371.25906	2.2
389.26880	1.7
445.29672	2.9
463.30652	60.5
464.31311	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3059
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02360	1.0
53.03943	6.3
55.01861	3.5
55.05514	21.5
56.96557	1.3
57.03439	6.9
57.07069	2.5
65.03937	3.2
67.05508	78.6
69.03422	1.6
69.07073	27.5
69.73692	4.0
69.74110	2.6
71.01331	1.4
71.04987	5.8
73.02892	1.6
77.71806	0.9
79.05495	53.2
81.03413	4.8
81.07058	100.0
82.07368	1.3
83.04984	8.6
83.08625	16.7
85.06549	6.1
91.05481	32.8
93.07047	74.8
95.04987	8.1
95.08608	26.2
96.69099	1.0
97.02882	1.6
97.06544	14.3
97.10172	3.3
98.20848	2.1
99.08097	4.4
105.04496	2.1
105.07029	16.0
107.04976	1.7
107.08597	35.7
109.06529	4.3
109.10171	5.9
111.08105	9.3
113.09646	1.7
115.05476	1.2
117.07014	12.4
119.08592	5.7
121.06488	1.6
121.10141	17.8
123.08102	1.4
123.11734	2.1
126.62080	1.2
127.07613	1.1
129.06999	2.5
131.08563	15.8
133.10130	12.5
135.08081	3.2
135.11714	10.5
139.11177	2.4
143.08568	2.1
145.10150	4.0
146.04320	1.1
147.11711	2.5
149.09659	2.5
149.13263	47.1
155.08603	2.0
157.10130	2.4
159.11694	20.1
167.14374	1.2
177.12709	9.1
195.13808	14.8
213.14861	2.6
225.16830	1.2
227.12758	1.1
229.07449	1.1
244.08464	3.3
246.01381	1.2
251.16544	1.8
257.09119	1.6
288.87933	1.0
353.24689	2.1
371.25827	3.8
389.27039	2.1
414.93512	1.2
445.29504	5.5
463.30511	65.9
464.30765	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.9
53.27222	1.5
55.01870	4.9
55.05518	28.1
57.03442	9.5
57.07078	3.1
59.45421	1.8
59.67029	1.8
63.09184	1.7
65.03944	4.8
67.05511	90.7
69.07073	28.6
69.86200	8.8
71.05004	7.8
79.05502	65.2
81.03442	8.2
81.07065	100.0
82.41761	1.6
83.04974	8.4
83.08631	17.8
85.02914	1.8
85.06551	5.0
91.05489	73.4
93.07053	71.1
95.04987	13.0
95.08615	37.9
97.06557	12.6
97.10173	2.8
98.21488	2.0
99.08112	4.4
103.05530	3.9
105.04562	2.7
105.07040	50.3
107.04977	6.3
107.08596	36.2
109.06545	5.3
109.10164	11.0
111.08118	7.3
115.05495	3.1
116.06244	1.8
117.07021	25.2
119.08589	32.0
119.09377	3.0
121.06542	5.4
121.10161	24.3
123.08102	3.9
123.11708	1.8
125.09666	2.3
128.06279	2.9
129.07040	17.1
130.07797	3.0
131.08585	40.9
133.06532	2.9
133.10152	25.7
135.08092	3.7
135.11719	14.9
137.09631	2.3
141.07025	7.3
142.07861	2.2
143.08591	15.7
145.06541	3.4
145.10143	21.0
147.08124	3.6
147.11742	5.0
149.09642	4.5
149.13266	24.5
151.11230	3.4
155.08600	7.6
157.10150	9.7
159.08102	2.9
159.11681	19.9
161.09656	1.7
161.13319	1.6
163.11166	1.8
167.08611	2.2
169.10179	6.2
171.11681	7.9
173.13252	3.9
175.11197	2.9
177.12846	6.7
181.10223	5.2
183.11768	5.9
185.13338	6.0
187.14880	2.9
195.11972	3.9
195.13918	10.1
197.13327	2.9
199.14903	2.0
209.13330	2.6
211.14949	2.4
213.12779	2.1
215.14362	1.7
219.13824	2.4
221.15536	1.8
223.14963	2.2
243.17618	2.4
244.08620	3.0
247.16908	2.0
257.09384	2.1
257.19064	2.6
259.17007	4.1
261.18628	2.8
325.21869	1.9
325.25494	5.3
335.23859	6.7
343.26331	11.1
353.24738	22.6
371.25851	26.6
389.26797	24.6
390.27444	1.9
427.28690	3.5
445.29504	33.8
463.30661	57.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03950	6.4
55.01871	4.7
55.05514	24.3
57.03447	6.6
57.07073	2.6
59.04993	1.1
65.03940	2.9
67.05508	80.9
69.03429	2.0
69.07072	24.6
70.07867	2.5
70.08267	2.0
71.01376	1.3
71.04995	6.1
77.03976	1.6
79.05497	50.4
81.03419	10.7
81.03803	1.1
81.07060	100.0
83.04986	6.7
83.08624	19.0
84.89642	0.9
85.06550	4.9
91.05481	37.3
91.06010	2.1
93.07049	74.6
94.04384	1.1
95.04975	9.6
95.08610	27.8
95.09172	2.0
97.06533	13.1
97.10181	2.4
98.21320	2.6
98.65432	1.2
99.08141	3.5
105.04533	2.8
105.07030	16.7
107.04964	2.9
107.08601	38.8
107.09301	2.1
109.06550	4.4
109.10162	8.8
111.08108	8.2
113.06027	1.5
113.09698	1.2
115.05476	2.2
117.07016	11.5
119.08586	7.6
121.06544	2.6
121.10149	21.6
123.08105	1.7
123.11752	4.2
125.09697	2.0
129.07050	3.1
131.08572	12.7
133.10127	17.7
135.08086	2.7
135.11693	14.0
137.09674	1.1
139.11186	2.4
143.08580	1.7
145.10138	2.8
145.38295	1.3
147.11670	2.4
149.09683	1.5
149.13263	43.1
151.11200	5.4
157.10168	1.6
159.11694	15.4
163.11273	3.5
167.14362	2.1
177.12758	7.2
183.11687	1.0
193.12329	2.6
193.60938	1.1
195.13806	20.8
195.15453	1.2
209.11719	1.3
211.15291	1.1
213.14957	2.7
219.13763	1.3
227.12903	4.4
253.14478	4.0
301.07529	1.4
371.26126	1.5
389.27170	1.9
426.78799	1.1
445.29691	3.6
463.30814	60.9
464.31396	1.6
489.05933	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1239
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
64.25964	0.2
64.71105	0.2
67.05516	0.2
69.03432	0.3
69.37908	0.3
69.38312	1.2
78.42957	0.2
85.02936	0.3
93.07011	0.2
107.08647	0.2
112.11014	0.2
124.19687	0.2
142.34856	0.2
153.01894	0.5
184.07553	0.2
186.09196	0.2
197.08531	0.2
224.10770	0.2
229.05025	0.5
242.11781	2.3
253.42928	0.2
257.04559	0.2
258.05255	16.4
259.05463	0.2
269.04572	0.2
283.14413	0.8
286.04733	37.2
287.05109	1.1
301.07077	100.0
302.07416	2.7
327.13895	0.2
401.73608	0.2
451.74585	0.2
463.12241	0.5
463.20593	1.1
468.91571	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	463.1239
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
51.73557	0.3
52.67318	0.4
53.03941	0.5
53.42602	0.3
55.01865	0.5
55.05504	0.5
55.22220	0.4
57.03432	0.7
61.02934	4.9
67.05497	1.0
69.03433	1.9
69.07085	0.5
71.11708	0.7
72.08154	0.4
73.02930	2.0
79.05492	1.1
81.03416	1.1
81.07068	2.1
85.02908	5.5
85.06528	0.5
90.80959	0.4
91.03962	3.2
91.05477	1.0
91.98361	0.4
93.07076	2.0
95.04943	0.5
95.08630	1.5
97.02897	3.5
103.42011	0.4
105.07024	1.7
107.04965	0.6
107.08601	1.6
109.02902	0.7
109.06501	0.4
109.10159	0.7
115.03903	0.6
119.08629	0.6
121.02858	0.3
121.06529	0.8
121.10135	1.1
127.03931	1.2
129.05539	0.4
131.08545	0.6
133.10152	3.5
134.10463	1.4
135.04430	2.4
135.11665	1.2
137.02342	0.8
137.06000	0.8
137.09612	0.5
139.03937	2.6
141.06996	0.4
145.04982	0.5
145.10173	0.4
147.04532	0.4
147.11682	0.4
149.05923	0.4
151.07539	0.6
153.01840	4.2
161.05984	0.6
165.01866	1.4
175.11234	0.5
183.35912	0.4
183.67006	0.4
194.28207	0.3
212.04732	0.5
213.05437	0.5
214.59593	0.4
229.05013	1.6
230.05751	4.3
245.08154	0.6
258.05301	5.7
269.04443	0.7
269.32758	0.4
272.06985	0.6
286.04721	4.5
301.07089	100.0
302.07452	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	463.1238
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03936	0.6
55.01869	0.5
55.05509	0.2
57.03428	0.6
59.04974	0.2
61.02930	1.5
61.64002	0.2
67.05492	0.5
69.03432	3.0
69.98084	0.7
71.04987	0.3
73.02896	0.5
73.94928	0.2
79.05450	0.2
81.03421	1.8
81.07033	0.5
83.45528	0.2
85.02906	7.4
87.04438	0.3
91.03950	0.4
93.07038	0.4
95.04948	0.5
95.08607	0.2
97.02888	2.6
99.04453	0.4
105.03383	0.2
107.04959	1.8
107.08617	0.3
109.02865	0.7
111.08080	0.2
121.02861	3.0
122.56024	0.2
123.04440	0.3
124.01588	0.6
125.02297	0.5
127.03915	1.3
131.08586	0.2
133.02847	0.5
133.10110	0.2
134.03604	0.2
140.96983	0.2
145.04976	1.0
145.10052	0.2
147.04417	0.4
149.02312	0.2
151.03886	0.7
157.06520	0.2
167.03418	2.8
179.03406	1.1
184.05235	0.2
191.10957	0.2
197.04404	0.2
199.07600	0.3
212.04716	0.6
217.08620	0.2
227.07106	0.9
230.05667	0.2
241.04872	0.2
245.08086	0.5
255.06503	0.4
257.04431	0.7
257.50732	0.2
258.05255	6.8
259.05698	0.3
272.06894	0.8
273.07471	0.4
280.97992	0.2
286.04739	4.5
301.07074	100.0
302.07422	3.1
364.70993	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	463.1239
Annotation	Kaempferol 5-methyl ether 3-galactoside
Peak:m/z	Relative Intensity
53.64308	0.3
55.01865	0.5
57.03440	0.6
61.02909	0.9
65.81960	0.3
69.03435	1.4
69.17633	0.4
70.92284	0.7
71.98585	0.3
73.02926	0.4
81.03413	0.7
84.08149	0.4
85.02908	3.5
92.02666	0.4
93.03393	1.0
97.02886	1.1
104.21899	0.4
109.02834	0.5
109.06515	0.3
115.03906	0.4
121.02857	1.2
123.04421	0.6
127.03915	0.8
130.06514	0.4
135.71371	0.4
136.07587	1.0
137.02341	8.5
149.02251	0.4
150.09129	0.6
151.03937	0.7
153.01849	0.7
164.07097	0.9
185.06044	0.6
187.04002	0.5
201.05476	0.8
202.06252	0.8
203.03423	0.5
212.04762	0.9
213.05437	2.7
215.03265	0.3
229.05029	1.6
230.05806	3.1
240.03899	0.3
241.04985	1.8
245.07993	0.3
252.97801	0.3
255.06627	0.4
257.04489	1.3
258.05319	5.2
268.03708	0.4
269.04443	2.3
276.72177	0.4
285.04044	0.4
286.04749	15.2
287.05264	0.6
301.07077	100.0
302.07397	2.0
310.64920	0.3
394.83612	0.4
463.21756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1237
Annotation	Kaempferide 3-glucoside
Peak:m/z	Relative Intensity
51.49439	0.2
63.56475	0.2
70.57192	0.4
81.03436	0.2
91.05474	0.2
123.04428	0.8
137.02322	1.0
141.50035	0.2
153.01823	0.7
184.05139	0.3
202.06223	0.2
212.04755	0.4
213.05455	0.4
220.95406	0.2
227.07108	0.5
230.05797	0.2
240.04141	0.9
255.06635	0.2
258.05246	11.2
259.05457	0.3
286.04727	12.6
286.76202	0.2
301.07074	100.0
302.07416	3.1
343.04623	2.2
374.20132	0.2
463.12323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.7
57.03446	10.3
59.04993	1.7
61.02927	4.9
61.76677	0.8
65.44431	0.8
67.05487	1.0
69.03435	14.8
70.30216	2.8
71.01340	3.1
72.04527	1.1
72.08160	0.9
73.02927	15.6
79.05495	1.2
81.03407	2.9
81.07048	1.2
85.02913	42.2
87.04458	2.6
91.03947	1.5
91.05489	1.4
93.07044	1.0
95.04930	1.2
95.08611	1.2
97.02906	18.8
98.21436	0.8
99.04443	1.8
103.03962	1.7
105.07040	81.5
106.07425	1.2
106.98417	0.8
109.02885	3.1
109.10205	1.1
110.87745	0.7
111.04458	1.2
115.03946	10.4
127.03912	8.5
132.06566	2.0
133.04988	15.3
133.10144	100.0
134.10420	0.8
143.08482	1.1
145.04979	14.1
145.10126	2.3
150.07626	3.7
153.01950	1.3
153.15468	0.8
157.10126	3.5
159.11702	1.5
163.05981	5.2
169.10170	1.0
173.09673	1.6
175.11191	3.8
223.06134	0.8
229.12276	2.9
241.07069	2.4
258.05276	2.9
259.08429	0.9
259.13385	1.8
286.04788	8.1
301.07098	17.5
313.16452	1.5
447.04697	0.8
463.12326	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
74.23156	0.6
78.37771	0.6
85.02906	1.0
86.83762	0.6
97.02884	1.9
101.00911	1.1
109.02907	1.0
119.01904	2.1
120.95451	1.0
131.01926	1.2
138.96426	2.9
143.01955	1.9
155.01941	1.0
156.97499	10.2
157.03535	1.2
161.03041	1.5
173.02974	2.4
174.98570	6.5
180.97482	15.5
182.99161	0.9
185.02995	2.9
195.91017	0.7
197.03026	1.0
198.98557	100.0
199.98688	2.6
201.00151	0.8
203.04002	1.1
210.98459	3.6
213.00232	1.3
216.97537	1.0
216.99626	21.3
221.05159	0.8
222.00027	0.9
222.98518	0.8
225.00098	1.4
228.99640	7.8
234.98581	4.0
240.99603	22.6
241.99782	0.7
245.05095	6.8
247.00800	1.4
252.99582	2.1
259.00690	10.9
264.99713	0.7
271.00659	1.3
275.06134	1.9
277.01608	1.1
283.00659	9.9
301.01715	24.4
319.02823	4.3
343.03043	0.8
463.06882	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	7.7
57.03446	10.3
59.04993	1.7
61.02927	4.9
61.76677	0.8
65.44431	0.8
67.05487	1.0
69.03435	14.8
70.30216	2.8
71.01340	3.1
72.04527	1.1
72.08160	0.9
73.02927	15.6
79.05495	1.2
81.03407	2.9
81.07048	1.2
85.02913	42.2
87.04458	2.6
91.03947	1.5
91.05489	1.4
93.07044	1.0
95.04930	1.2
95.08611	1.2
97.02906	18.8
98.21436	0.8
99.04443	1.8
103.03962	1.7
105.07040	81.5
106.07425	1.2
106.98417	0.8
109.02885	3.1
109.10205	1.1
110.87745	0.7
111.04458	1.2
115.03946	10.4
127.03912	8.5
132.06566	2.0
133.04988	15.3
133.10144	100.0
134.10420	0.8
143.08482	1.1
145.04979	14.1
145.10126	2.3
150.07626	3.7
153.01950	1.3
153.15468	0.8
157.10126	3.5
159.11702	1.5
163.05981	5.2
169.10170	1.0
173.09673	1.6
175.11191	3.8
223.06134	0.8
229.12276	2.9
241.07069	2.4
258.05276	2.9
259.08429	0.9
259.13385	1.8
286.04788	8.1
301.07098	17.5
313.16452	1.5
447.04697	0.8
463.12326	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	461.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02360	1.8
53.03963	9.3
55.01865	5.1
55.05518	26.8
57.03426	6.5
65.03934	3.9
67.05508	59.2
69.03421	4.1
69.07070	20.3
70.03384	5.0
71.04980	3.9
77.03929	2.4
79.05498	54.1
81.03426	61.1
81.06590	2.9
81.07063	56.1
83.04992	8.1
83.08621	21.1
85.06552	4.0
89.74985	1.7
91.05486	44.7
93.06488	2.6
93.07050	46.6
95.04970	29.0
95.08616	21.6
97.06529	8.8
97.10173	9.5
99.08103	2.1
103.05444	1.8
105.03387	2.7
105.07037	31.2
107.04974	15.5
107.08594	21.8
109.06528	7.4
109.10178	9.1
111.04450	2.4
111.08124	11.7
115.05465	4.4
117.07025	17.8
119.04944	2.3
119.08589	19.5
121.06499	13.0
121.10152	14.9
123.08081	3.3
123.11692	2.0
125.09592	8.1
128.06239	5.0
129.07010	14.9
129.17560	1.7
131.08591	20.4
133.06502	7.5
133.10144	12.5
135.08080	5.7
135.11690	6.5
137.09705	1.8
141.07027	5.4
142.07751	3.2
143.08588	7.2
145.06488	10.6
145.10114	10.9
147.08032	9.1
147.11725	6.4
149.09630	7.0
149.13258	15.9
154.07713	1.7
155.08560	5.8
157.10155	12.1
159.08051	3.4
159.11728	12.0
161.09700	3.7
163.11235	3.7
169.10146	4.2
171.08031	2.0
171.10237	1.9
171.11693	4.9
173.09607	2.0
175.11230	7.0
177.12756	4.7
181.10178	3.0
183.11674	4.2
185.13226	3.1
187.11179	1.8
187.14890	1.7
189.09320	1.9
189.11229	4.1
193.12273	21.6
195.13826	4.7
197.13263	2.8
199.14845	3.0
217.15906	8.2
227.12798	2.5
231.13933	1.8
249.14922	5.7
257.15482	2.2
271.17166	3.0
291.99893	1.7
301.18069	2.0
330.40579	1.6
341.24838	2.0
343.22818	4.1
345.21570	2.1
351.23187	9.3
369.24213	20.4
372.94235	1.8
387.25116	11.8
396.96310	1.7
405.26382	2.9
411.55115	1.7
417.26672	4.1
425.27039	2.0
443.27942	21.9
461.29016	100.0
462.29346	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	2.6
53.03933	9.0
54.34139	1.9
55.01859	8.5
55.05512	28.6
57.03446	10.5
57.07070	2.4
65.03939	3.6
67.05508	78.3
69.03423	4.6
69.07063	21.9
69.15188	11.6
69.15611	11.7
71.04991	5.2
79.05496	63.8
81.03423	50.1
81.07058	80.7
83.04969	9.5
83.08618	23.5
85.06538	5.7
91.05486	57.3
93.06489	3.2
93.07053	53.0
95.04987	35.0
95.08599	28.3
97.06523	10.0
97.10183	15.0
98.21129	11.8
99.08110	2.8
105.04529	2.5
105.07037	41.0
107.04958	17.4
107.08582	32.9
109.06558	10.3
109.10173	10.1
111.08100	8.7
115.05476	5.2
117.07024	18.9
117.72902	2.0
119.04972	4.6
119.08572	21.1
120.79520	2.3
121.06516	17.4
121.10141	16.9
123.08041	5.8
125.09640	10.8
128.06238	4.9
129.07019	20.8
131.04991	3.7
131.08575	35.1
133.02124	2.2
133.06487	9.2
133.10124	20.9
135.08063	7.7
135.11671	5.8
141.06987	5.3
142.07788	3.9
143.08565	13.1
145.06496	16.6
145.10115	11.1
147.08073	12.4
147.11720	11.2
149.09630	8.0
149.13278	19.1
155.08565	9.6
157.10175	14.2
159.08060	6.9
159.11699	11.6
161.09566	4.7
163.11151	4.2
167.08546	4.9
169.10191	3.3
171.08070	3.7
171.10205	3.5
171.11684	4.5
173.09613	2.5
173.13268	4.1
175.11205	8.3
177.12772	7.0
180.64854	2.0
185.09666	4.0
185.13177	2.8
187.14874	2.6
189.11256	3.7
193.12259	20.6
195.11656	3.9
195.13857	5.6
197.13297	3.0
199.14851	4.1
201.12610	3.4
213.12814	2.7
215.14299	2.9
217.15916	8.3
219.13786	4.3
243.13875	2.7
249.14873	3.9
257.15421	5.3
339.56833	2.3
351.23267	12.0
369.24252	30.0
387.25372	14.4
405.26260	3.7
417.26450	2.9
443.27927	33.7
461.29007	100.0
462.29449	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	461.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
55.01864	6.6
55.05268	2.3
55.05516	29.3
57.03424	6.0
65.03937	3.6
65.25496	1.7
66.96987	1.6
67.05510	58.8
69.03423	4.4
69.07079	17.2
70.16488	7.7
71.04991	5.8
79.05498	47.4
81.03422	69.3
81.07060	69.2
83.04977	10.2
83.08613	25.3
85.06538	2.4
91.05486	50.0
93.07050	46.9
95.04980	38.6
95.08613	22.3
97.02921	1.9
97.06532	9.8
97.10186	10.6
98.47993	1.7
99.04458	2.2
103.05455	4.0
105.07029	26.4
107.04960	14.2
107.08599	27.3
109.06540	7.7
109.10175	6.7
111.08078	13.5
115.05518	3.8
117.07013	12.9
119.08582	18.7
121.06513	14.1
121.10163	19.1
123.08047	1.9
125.09639	7.3
128.06244	3.5
129.07022	16.2
131.08559	25.1
133.06461	8.9
133.10135	14.6
135.08011	2.8
135.11757	9.0
136.09015	1.8
137.09641	2.8
138.99635	2.0
141.06976	4.2
142.07755	2.1
143.08575	9.1
145.06454	9.2
145.10143	9.0
147.08054	6.7
147.11699	6.5
149.09648	8.0
149.13269	17.2
153.09094	1.9
155.08574	4.8
156.75793	2.1
157.06461	2.1
157.10139	11.8
159.08066	3.0
159.11714	11.2
161.09656	4.2
167.08626	2.8
169.10110	2.8
171.08052	2.1
171.11703	4.2
175.11209	9.8
177.12778	5.4
181.10149	2.1
183.08136	1.9
183.11728	2.0
185.09685	2.5
185.13223	2.1
193.12268	24.7
195.13860	3.3
197.13297	3.1
199.14812	2.7
209.13374	2.0
213.12888	2.8
217.15968	6.2
225.12651	2.1
227.12848	2.1
239.14302	2.0
249.14931	4.5
256.98553	2.0
257.15485	3.2
271.16980	2.6
275.16541	2.7
323.23499	2.0
341.24814	2.3
343.22644	4.7
351.23254	11.4
361.23630	1.9
369.24295	20.3
387.25403	12.4
405.26370	3.2
417.26385	3.8
425.26764	3.0
443.28018	17.9
461.29013	100.0
462.29761	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.8
55.01876	10.4
55.05273	2.1
55.05515	32.4
57.03443	10.0
65.03948	4.2
67.05508	62.1
69.03429	2.2
69.07067	19.4
69.21103	17.4
71.04983	5.6
79.05499	61.6
81.02982	2.9
81.03423	32.5
81.07059	62.4
83.04984	8.3
83.08627	22.0
85.06570	2.6
91.05484	51.9
93.07054	47.3
95.04976	32.9
95.08611	29.4
97.06546	6.0
97.10184	16.9
98.21362	7.2
101.64697	1.8
103.05548	2.2
105.06396	2.9
105.07040	35.6
107.04950	14.7
107.08595	29.1
109.06517	6.7
109.10178	9.2
111.08083	11.1
115.05486	3.9
117.07043	18.9
119.04942	3.4
119.08582	22.9
121.06515	16.3
121.10139	14.4
123.04458	2.0
123.08067	6.3
125.09641	10.2
129.06998	24.0
131.04950	4.4
131.08572	25.9
133.06485	9.4
133.10135	15.8
135.08020	3.8
135.11685	8.0
141.06992	7.4
142.07819	2.1
143.08557	14.3
145.06512	18.2
145.10138	13.9
147.08086	9.0
147.11719	6.5
149.09619	7.5
149.13298	10.7
153.09171	1.8
155.08592	8.4
157.06535	2.6
157.10120	10.7
159.08076	8.1
159.11722	8.7
161.09616	4.3
163.11179	4.1
167.08548	3.2
169.10133	5.4
171.08041	4.4
171.11702	6.5
173.09557	1.7
173.13248	3.4
175.11237	3.7
177.12808	5.2
181.10074	4.4
183.08057	2.4
183.11693	2.8
185.09694	2.4
185.13245	5.3
187.11211	1.8
187.14877	2.8
189.09122	4.1
189.11200	6.4
193.10350	1.8
193.12276	10.4
195.11789	3.0
195.13858	3.5
196.12029	1.8
197.13254	3.0
199.11101	3.1
199.14854	6.4
201.12732	3.1
203.14474	2.3
205.12241	2.7
207.13820	3.2
213.12727	2.4
217.15869	9.9
223.13213	2.2
225.12885	2.2
227.12646	2.8
231.13893	4.6
235.15031	2.2
243.13840	2.7
249.14832	3.0
251.16591	2.7
257.15353	5.8
267.16058	3.4
273.14954	2.4
273.18268	2.0
275.16644	3.3
323.23743	4.1
333.22006	3.4
341.24686	3.8
351.23099	20.8
369.24283	38.7
370.24680	2.9
387.25317	20.4
405.26385	4.3
407.26025	3.2
417.26447	4.0
425.26703	3.8
443.27960	38.1
461.28995	100.0
462.29633	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	461.2898
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
50.38092	1.7
53.03947	12.0
55.01871	5.7
55.05513	25.7
57.03429	8.9
57.26550	2.0
60.81538	1.9
65.03927	4.2
66.78019	1.9
66.91953	1.9
67.05507	51.6
69.03403	4.0
69.07072	19.4
69.26501	18.6
71.04987	4.8
79.05495	53.9
81.03416	44.1
81.07056	54.9
83.04974	9.2
83.08623	18.2
85.06565	3.3
91.05485	56.0
93.06471	3.9
93.07042	48.7
93.48935	1.8
95.04977	29.8
95.08607	28.1
97.06526	6.4
97.10172	14.3
103.05488	3.4
105.04493	2.4
105.07035	41.6
107.04964	17.9
107.08601	24.2
109.06518	6.9
109.10164	8.1
111.08064	9.8
115.05412	3.4
117.07005	20.0
119.04929	3.1
119.08598	18.8
121.06497	14.6
121.10140	14.8
123.08069	4.5
125.09627	10.8
128.06245	5.1
129.07007	21.4
131.04922	4.6
131.08586	29.2
133.06516	10.0
133.10130	12.4
135.08101	5.6
135.11708	7.0
137.09671	2.3
137.69147	1.9
141.06979	3.5
142.07840	2.5
143.08577	12.4
145.06503	15.0
145.10126	9.2
147.08054	11.0
147.11696	7.5
149.09633	6.1
149.13271	12.8
155.08540	5.4
157.10139	9.7
159.08102	6.9
159.11703	9.3
161.09627	4.9
163.11230	3.9
167.08582	4.0
169.10161	7.6
171.08102	4.5
171.11736	3.8
173.09541	3.1
173.13286	3.0
175.11195	6.0
177.12761	6.1
179.08617	2.2
181.10185	3.3
183.11720	6.7
185.13184	3.3
187.11198	3.4
187.14807	2.0
189.11252	6.0
193.12221	15.8
195.11742	4.6
195.13846	3.5
197.09856	2.8
197.13318	4.5
199.14806	6.0
201.12791	3.6
203.14325	2.4
205.12225	3.3
209.13193	2.7
213.12784	4.1
215.14362	2.9
217.15950	7.3
221.13249	2.3
227.12697	4.1
231.13707	3.1
239.14307	2.4
249.15005	2.2
257.15454	3.7
259.16916	2.5
341.24677	5.9
343.22781	2.9
351.23221	15.0
369.24286	30.1
387.25333	13.1
405.26593	3.8
407.25613	2.2
417.26617	3.6
425.26855	2.6
443.27960	35.2
461.29013	100.0
462.29596	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	461.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	13.5
55.01875	18.2
55.05517	28.5
57.03440	9.7
57.07071	4.7
59.05011	4.5
61.02930	6.5
67.05524	11.2
68.99786	6.0
69.03437	71.8
69.07072	54.9
70.53532	4.9
71.05006	13.6
71.08637	2.5
73.02911	11.2
79.05510	8.0
81.03427	57.5
81.07066	31.9
83.05002	12.1
83.08611	9.1
85.02913	100.0
85.06553	21.3
87.00834	44.6
87.04500	2.8
91.03948	3.5
91.05484	6.0
93.07061	14.3
95.04966	3.3
95.08615	43.1
97.02903	33.5
97.06541	10.7
97.10175	15.9
99.04455	26.2
99.08101	38.7
101.02392	3.1
105.01879	30.3
105.07031	5.9
107.08607	24.1
109.02892	54.1
109.10171	16.4
111.08099	4.8
111.11734	11.6
113.09646	16.3
115.03931	3.4
117.01882	5.9
119.08574	3.7
121.10168	32.1
123.11709	12.0
125.09638	9.9
127.02984	4.5
127.03931	90.3
129.01854	7.5
133.10155	3.7
135.11700	16.3
137.13255	19.4
139.11174	9.5
145.04997	31.7
147.02892	6.0
147.64531	2.5
149.13268	6.9
151.14818	7.0
153.01836	3.6
153.12778	17.1
159.02899	29.3
159.04109	2.9
159.11716	2.3
175.14813	2.8
177.16405	70.0
189.03973	4.7
195.17464	86.9
213.04085	2.6
213.16458	2.8
213.18518	58.8
231.05025	20.6
249.05962	2.2
396.75873	2.0
425.21555	2.2
461.24017	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	461.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29046	2.3
53.03951	12.7
55.01878	16.3
55.05511	26.2
57.03429	10.8
57.07059	5.3
59.04996	3.6
61.02919	8.3
67.05502	14.4
68.99807	4.8
69.03432	66.0
69.06730	3.5
69.07072	45.8
70.06564	4.2
71.05000	16.4
71.08630	2.7
71.25411	6.5
73.02937	12.6
79.05479	9.6
81.03425	56.0
81.07066	32.8
83.04991	15.1
83.08612	6.7
85.02912	100.0
85.06542	17.6
87.00836	32.4
91.03954	4.1
91.05486	9.5
93.07047	23.0
95.05014	3.5
95.08607	44.5
97.02898	30.4
97.06553	8.8
97.10163	9.4
99.04446	22.4
99.08103	29.8
100.11302	3.3
105.01860	26.2
105.07018	10.1
107.04964	53.5
107.08604	25.3
108.08919	3.2
109.02137	3.4
109.02893	54.6
109.06526	5.4
109.10162	33.3
110.10487	5.8
110.98708	2.4
111.08083	5.1
111.10915	2.6
111.11717	9.1
113.09645	11.2
117.01860	4.6
119.04939	4.7
119.08560	6.9
121.02872	11.1
121.10150	29.5
123.11707	10.2
125.09595	9.0
127.03928	83.2
129.01846	9.1
133.10135	20.0
135.08008	3.5
135.11691	34.2
136.12036	6.1
137.06017	4.6
137.13268	15.3
139.11174	8.4
145.04959	26.4
147.02919	7.9
147.04396	13.8
147.11717	3.4
149.13268	7.2
151.14832	4.9
153.01852	18.7
153.12762	17.2
159.02907	31.9
159.11630	2.9
165.09264	2.9
175.14873	5.5
176.15170	7.0
177.16412	62.3
179.03380	8.5
189.04042	3.3
193.04980	22.5
193.15916	8.5
194.16241	7.7
195.17468	64.4
211.16988	4.9
213.04092	6.7
213.18538	49.0
231.05028	15.8
299.05780	5.7
299.09125	52.3
461.23752	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	460.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.4
51.08024	0.2
53.03927	0.5
55.01847	0.4
55.05499	0.4
57.03431	0.3
69.03432	1.9
70.06592	2.3
70.89933	0.6
71.05006	0.3
72.08142	0.5
79.01855	1.8
79.05479	0.4
81.03422	5.0
81.07039	0.5
82.06532	0.4
84.04491	0.7
84.05755	0.3
85.02926	1.8
85.06505	0.3
86.09711	0.7
91.05469	0.7
93.07075	0.4
95.08601	0.4
97.02896	2.0
98.97579	0.3
99.04460	0.6
103.03933	0.5
105.07011	0.4
107.01299	0.9
107.08608	0.5
109.02890	2.3
111.04353	0.3
112.07594	1.3
113.07938	0.4
118.06551	2.0
125.02335	1.5
127.03938	2.6
128.04884	0.3
133.10130	0.6
137.02342	0.5
140.07059	0.6
141.07407	0.6
143.03403	3.3
145.04996	0.5
145.10158	0.3
146.06018	100.0
147.06329	1.1
153.01842	59.5
153.02887	2.5
154.02150	0.6
162.05524	2.8
171.02910	2.8
216.58652	0.3
297.06049	5.6
311.59628	0.3
315.07080	1.9
460.12579	4.1
460.18613	1.2
460.25061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	1.1
53.03912	1.3
55.01825	0.7
55.05464	10.4
56.04999	0.9
68.04979	0.9
68.25112	0.7
69.03391	2.5
69.78568	2.5
69.78975	1.2
70.06598	20.8
71.04951	2.1
79.01868	4.7
81.03425	5.0
82.06584	14.9
84.08144	15.5
85.02869	2.3
86.09682	1.1
90.71051	1.0
97.02883	4.0
100.07623	45.0
107.01292	2.0
109.02862	2.9
110.06048	20.1
111.14126	0.7
118.94391	0.7
123.95554	0.8
125.02340	2.8
127.03924	4.6
128.07092	31.0
130.08655	8.6
143.03391	5.5
145.05020	0.8
146.08130	99.8
147.08530	1.1
153.01843	100.0
153.02887	5.2
154.02190	0.9
158.39484	0.7
171.02890	8.0
182.04944	1.1
183.05322	1.5
183.44402	0.7
209.03064	0.8
297.06131	5.6
308.13739	1.2
313.41382	0.7
315.07254	5.3
328.09219	1.5
460.19382	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.5
55.01868	1.3
55.05511	0.4
56.05056	0.6
56.96586	0.4
58.99593	0.5
65.03944	1.6
67.05173	0.7
67.05508	8.7
69.03420	1.1
69.07059	0.4
70.02966	0.5
70.06593	0.8
70.42865	0.8
70.43230	0.7
72.08164	1.7
74.00658	0.6
76.02232	3.8
76.04015	2.0
79.05515	0.9
80.05024	1.7
80.71383	0.4
81.03429	1.3
81.07053	1.1
82.06558	0.6
84.04516	7.5
84.08147	0.7
85.02909	2.0
86.09714	1.5
91.05482	1.3
92.01646	0.4
93.05788	1.8
93.07049	0.5
94.06567	0.6
94.93369	0.4
95.04971	11.1
97.02895	0.7
99.05566	0.6
102.05571	0.6
107.07349	0.4
108.04497	1.7
108.08127	6.5
109.02881	1.4
110.06055	2.6
110.09611	0.4
110.54594	0.3
116.01691	0.9
119.04974	0.4
121.02850	0.4
126.03787	0.8
126.09157	0.8
127.03930	1.6
130.04993	2.0
131.04506	0.5
133.10088	0.4
135.06845	0.5
136.07584	84.7
139.03215	0.4
140.05273	2.9
142.03218	1.5
144.01154	0.5
145.06114	1.3
147.04416	0.5
149.03809	0.6
151.02165	0.6
152.07043	0.6
153.01840	1.2
154.08636	100.0
155.08987	1.2
156.10249	0.8
162.02234	1.5
168.04813	2.2
170.76991	0.4
177.03316	1.7
179.04869	5.8
185.03819	2.6
186.05814	2.2
188.07341	0.4
229.10066	0.8
231.04375	6.6
233.05923	2.3
243.07948	2.1
245.05861	0.6
288.06592	0.4
295.11206	1.1
299.05368	0.6
306.07523	0.6
308.09116	7.4
332.12756	5.0
398.13828	0.8
443.16043	0.6
461.16742	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	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
53.35138	1.5
55.01878	8.0
55.05516	25.4
57.03426	5.8
59.10649	1.2
67.05510	35.4
69.03439	4.5
69.07066	8.3
70.96008	3.5
71.04986	3.1
79.05073	2.4
79.05502	37.7
81.03422	90.4
81.07057	26.1
83.04976	6.1
83.08628	22.2
91.05489	36.1
92.73085	1.3
93.07047	18.8
95.04976	30.6
95.08625	10.2
97.02891	2.6
97.06530	5.6
97.10183	17.1
105.06397	2.3
105.07042	25.9
107.04960	18.9
107.08588	13.9
109.06524	6.1
109.10159	6.4
111.04444	2.1
111.08100	11.4
115.05483	4.5
117.07041	10.7
119.04974	3.3
119.08572	16.5
121.06511	14.2
121.10119	6.9
123.04457	2.7
123.08080	5.2
123.11703	1.3
124.03800	1.3
125.09667	11.6
127.25904	1.6
128.06198	3.2
129.07016	20.6
131.04933	4.1
131.08572	21.0
133.06519	8.1
133.10136	7.8
135.04398	1.4
135.08034	4.7
135.11662	1.4
137.09657	2.2
141.07011	4.0
142.07803	2.7
143.08591	6.9
145.06499	23.6
145.10139	6.2
147.04453	2.1
147.08073	8.2
147.11726	9.8
149.09663	7.2
153.09106	5.1
155.08546	4.5
157.06490	6.4
157.10126	14.6
159.08067	6.1
159.11662	2.9
161.06032	2.4
161.09616	3.4
163.11168	2.7
165.12831	2.4
167.08569	2.5
169.06506	2.0
169.10146	3.3
171.08018	3.8
171.10268	1.8
171.11658	3.0
173.09644	2.4
175.11192	13.5
181.10132	2.9
183.08125	3.0
183.11772	2.3
183.51172	1.4
185.09599	2.8
185.13292	1.9
187.11212	1.8
189.11227	6.4
189.12744	2.4
193.10463	2.5
193.12254	47.7
195.11749	5.2
197.09677	1.6
197.13280	5.1
199.11186	4.2
205.10248	1.7
211.11366	3.4
213.12622	1.5
215.14351	1.6
223.11192	2.1
225.12782	2.2
227.14362	3.2
231.13838	2.8
233.15440	3.9
237.12804	4.5
239.14468	2.0
243.13934	2.3
249.12593	1.7
249.14973	2.4
255.13800	6.3
269.80252	1.5
271.16821	2.5
273.14856	18.3
281.15244	1.9
283.17084	2.7
311.16397	2.2
321.22147	2.6
339.23187	5.8
349.21750	14.1
357.24200	4.8
367.22696	46.1
385.23730	37.9
403.24747	11.3
405.24445	2.4
423.25290	2.8
441.26062	7.1
459.27438	100.0
460.27826	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	459.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86847	1.2
53.03936	5.9
55.01868	9.0
55.05273	1.5
55.05517	27.0
57.03423	5.9
64.80334	1.3
65.03939	1.4
67.05186	2.1
67.05509	32.4
69.03414	3.9
69.07074	7.4
71.04974	2.9
73.67922	1.3
79.05070	2.2
79.05499	35.8
81.03420	65.8
81.07063	27.1
82.10919	1.3
83.04994	8.1
83.08618	17.3
85.02899	2.3
85.06542	1.8
89.24385	1.4
91.05485	34.4
93.07046	21.6
95.04987	22.7
95.08615	15.6
97.02921	1.5
97.06538	3.2
97.10168	13.0
98.20734	3.5
105.07033	24.4
106.25350	1.5
107.04962	17.1
107.08601	15.3
109.06513	5.4
109.10172	8.7
111.08076	4.9
115.05479	4.9
117.07036	9.8
119.04909	1.9
119.08580	14.2
121.06516	11.8
121.10134	5.2
123.04433	2.0
123.08051	4.1
123.11620	2.1
125.09622	8.6
128.06181	2.9
129.07002	16.5
131.04929	5.4
131.08577	18.3
133.06511	6.8
133.10123	9.9
135.08061	4.3
135.11690	2.7
137.09615	2.2
141.06966	4.2
142.07762	2.8
143.08611	6.6
145.06512	21.8
145.10112	5.0
147.04405	2.4
147.08066	10.3
147.11665	7.5
149.09590	5.5
153.09079	2.8
155.08560	6.0
157.06474	4.8
157.10136	11.1
159.08029	5.8
159.11740	2.5
161.05981	3.7
161.09648	2.2
163.11217	2.6
165.12758	2.6
167.08569	2.0
169.06439	2.4
169.10147	4.0
171.08058	4.6
171.10240	1.7
171.11688	4.1
173.09653	2.6
173.13316	1.6
175.11217	12.0
181.10100	2.0
183.08208	1.8
183.11728	2.4
185.09650	3.7
185.13380	2.1
187.11201	1.9
187.14842	2.0
189.11221	5.2
189.12761	2.8
193.12244	34.7
195.08153	1.9
195.11725	4.9
197.09602	1.6
197.13243	3.3
207.11708	1.9
211.11230	2.8
213.12709	2.1
215.14394	3.5
223.11087	2.2
225.12758	3.1
227.14381	3.1
231.13780	2.1
233.15388	4.6
237.12727	2.7
245.15457	1.9
249.14989	3.0
255.13892	5.7
271.16663	1.9
273.14825	16.0
287.16306	2.9
290.28162	1.5
302.80994	1.4
321.22040	2.0
331.20441	1.5
339.23172	5.1
349.21600	16.6
357.24292	5.7
367.22665	43.0
385.23779	36.7
385.28528	2.8
403.24911	8.8
405.24225	3.4
423.25281	1.9
425.98056	1.4
441.26398	5.0
458.25238	1.5
459.22119	5.0
459.27438	100.0
460.27475	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48931	1.3
53.03963	1.6
55.05496	1.5
61.02920	1.5
67.05511	2.8
69.03435	5.4
69.07076	3.0
70.76360	2.6
70.76700	2.8
79.05487	1.9
81.03419	4.8
81.07066	10.9
85.02909	13.5
85.95597	1.4
87.00822	4.9
91.05504	4.4
93.07064	7.2
95.08616	16.5
97.02894	5.8
99.04482	2.4
99.08109	7.0
105.01872	3.9
105.07031	11.8
107.08605	15.4
107.86443	1.3
109.02880	5.6
109.10189	2.4
113.09675	2.0
119.08588	61.7
121.10208	2.0
123.11734	4.1
127.03934	7.7
133.10139	96.6
135.11696	25.1
142.88004	1.4
145.04935	2.4
147.11638	2.6
159.03026	2.4
175.14836	100.0
176.15105	1.8
193.15881	21.2
211.16928	11.0
214.62254	1.5
236.42693	1.5
327.20523	1.7
392.30835	1.3
441.17068	2.4
459.17459	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	9.1
55.01867	7.4
55.05267	2.4
55.05514	29.8
55.05780	1.3
57.03431	4.7
65.03960	3.0
67.05508	41.3
69.03428	3.9
69.07063	9.2
69.31734	10.5
69.32146	3.2
70.55110	1.5
71.04990	3.2
79.05496	47.0
81.03421	79.3
81.07059	34.0
83.04964	10.9
83.08627	25.4
91.05483	48.4
91.06023	3.0
93.07048	21.8
95.04971	33.9
95.08617	15.4
97.02889	3.1
97.06519	4.1
97.10172	16.1
98.20788	2.7
105.04559	1.6
105.07038	36.2
107.04958	18.4
107.08601	17.0
108.05242	1.9
109.06510	8.8
109.10166	9.9
111.04449	2.2
111.08091	8.0
115.05464	3.8
116.06195	1.5
117.07018	11.2
119.04960	3.8
119.08585	18.5
121.06515	11.7
121.10150	6.4
122.91555	1.5
123.04436	3.6
123.08055	4.9
123.11749	2.6
125.09650	10.7
128.06236	4.8
129.07021	18.6
131.04933	5.2
131.08577	19.9
133.06509	7.6
133.10123	16.2
135.08063	5.7
135.11681	1.6
137.09619	3.9
141.06993	6.4
142.07755	4.3
143.08557	10.1
144.05739	1.8
145.06477	22.0
145.10149	6.2
147.08073	7.0
147.11697	9.1
149.09631	6.6
153.09090	3.5
155.08566	7.0
157.06482	3.3
157.10150	16.0
159.08058	5.7
159.11691	2.4
161.05966	2.2
163.11238	4.5
165.07019	2.0
165.12849	2.0
167.08496	2.1
169.06589	1.7
169.10080	4.3
171.08081	5.7
171.10132	2.3
171.11649	2.8
173.09695	4.3
175.11156	12.1
181.10092	2.1
183.08113	3.7
183.11716	1.7
185.09639	3.3
185.13283	4.3
186.36940	1.7
187.11197	2.2
189.11240	4.3
189.12729	2.4
193.12256	39.7
193.15959	1.8
195.11752	4.1
197.09665	2.5
197.13260	3.8
199.11256	2.6
209.13306	2.0
213.12811	3.8
215.14265	4.3
227.14462	2.6
233.15405	6.3
237.12811	3.7
249.14949	5.2
255.13879	5.5
257.15378	2.7
261.47958	1.7
264.69778	1.7
273.14883	12.3
287.16531	3.1
309.41241	1.7
321.22168	1.7
331.20370	1.9
339.23123	6.9
349.21490	15.0
357.24301	5.9
367.22623	37.2
367.26840	2.9
385.23724	36.3
403.25073	8.4
441.26477	5.8
459.27432	100.0
460.27792	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	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.4
56.02315	1.7
57.07076	1.8
59.93811	1.8
67.05515	14.2
69.03423	8.4
69.07072	11.2
71.04994	1.9
71.05887	3.7
72.17278	1.6
79.05486	2.2
81.03424	2.7
81.07075	12.9
83.04995	7.9
83.08621	5.8
85.02905	12.0
85.06547	2.7
85.27605	1.7
87.00836	2.7
91.05535	2.9
93.07050	6.9
95.08620	26.2
97.02880	3.7
99.08095	2.9
105.07031	5.0
107.08598	20.1
109.02896	4.0
109.06534	6.7
109.10165	87.8
111.08112	2.1
119.08588	39.2
121.10149	14.2
123.08103	13.4
123.11709	7.7
127.03930	3.4
133.10146	19.7
135.11702	100.0
136.12085	2.1
137.09616	15.1
149.13232	4.5
151.11226	7.8
151.14832	9.9
165.16431	3.0
175.14833	41.8
193.15894	60.2
203.76416	2.0
211.16934	54.9
309.78430	2.2
409.71274	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	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.9
55.01859	17.0
55.05515	30.0
57.03424	10.6
61.02923	8.3
67.05509	38.8
67.70760	4.1
69.03424	33.7
69.07077	24.7
69.47793	10.6
69.48209	15.0
70.06594	9.2
71.05002	19.4
73.02904	4.3
79.05499	36.5
81.03423	40.6
81.07062	49.3
83.04968	12.8
83.08620	21.2
84.08138	7.0
85.02914	46.5
85.06544	4.4
87.00819	20.9
91.05495	33.3
93.07044	39.0
94.63625	3.4
95.04976	23.2
95.08068	4.4
95.08620	56.4
97.02886	20.4
97.06520	22.6
97.10156	14.1
99.04445	10.4
99.08118	5.1
105.01859	12.8
105.07042	37.1
107.04938	16.2
107.05665	3.3
107.08599	54.7
109.02881	15.8
109.06536	17.8
109.10161	46.1
111.04453	6.7
111.08078	9.1
111.11650	5.1
115.05453	4.8
117.03386	4.8
117.07023	11.0
119.08588	54.6
121.02862	26.5
121.06485	14.1
121.10168	27.6
123.08060	30.6
123.11700	27.0
125.09619	12.6
127.03905	30.4
129.06995	15.7
131.08571	19.8
133.06454	8.2
133.09152	4.9
133.10136	85.9
135.08055	11.0
135.11697	58.2
137.05988	5.9
137.09604	20.3
142.07837	4.2
143.08516	7.7
144.37819	4.1
145.02806	14.8
145.04929	9.5
145.06488	10.7
145.10118	16.4
147.04410	15.7
147.08028	12.0
147.11699	13.4
149.05974	5.1
149.09558	7.0
149.13235	27.2
151.03896	10.4
151.07541	31.6
151.11237	4.6
153.01808	8.7
153.12558	3.7
155.08417	4.9
157.10085	11.0
159.02872	7.2
159.08015	7.1
159.11697	7.1
161.09595	5.9
163.11122	5.1
165.09138	13.9
169.10130	6.0
171.08005	6.2
171.11604	4.6
173.13206	5.1
175.14833	90.8
177.05502	23.1
177.09088	4.7
183.11766	8.1
185.09659	4.9
185.13232	4.4
187.11156	4.2
189.09093	4.9
189.11244	5.2
191.07033	4.4
191.10667	9.6
193.12213	17.2
193.15903	72.6
195.11618	4.3
197.11737	7.1
199.08725	5.1
199.11179	5.1
203.10838	4.2
205.12206	8.2
211.16953	100.0
215.06830	3.7
255.13933	6.3
273.14868	11.4
287.50653	3.8
291.39581	4.0
297.07629	13.9
339.23077	6.1
349.21594	8.8
367.22577	23.0
385.23666	29.6
441.25827	4.4
459.27420	66.4
460.27414	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70071	1.6
55.01861	2.1
55.05515	3.8
67.05491	6.0
69.03423	6.9
69.07066	3.9
70.06595	2.5
70.79870	3.6
70.80205	4.4
71.04999	2.4
79.05499	3.7
81.03419	5.3
81.07059	16.6
83.04987	2.1
83.08585	3.1
85.02900	10.6
85.06586	1.8
86.09719	2.4
87.00835	4.7
91.05489	7.1
93.07030	9.5
95.08598	19.1
97.02890	3.8
99.04419	2.5
99.08100	3.0
105.01865	4.7
105.07037	17.2
107.08617	14.7
109.02911	4.5
109.06506	3.3
109.10158	14.6
113.09661	2.1
119.08595	50.6
121.10116	4.9
123.11721	3.0
127.03922	8.3
131.08543	3.4
133.10138	57.8
135.11699	21.7
145.05022	3.9
147.11769	3.1
153.01843	2.5
165.96426	2.2
173.13269	2.0
175.14836	100.0
193.15894	17.2
211.16928	8.5
279.15906	2.2
459.28986	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	459.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70071	1.6
55.01861	2.1
55.05515	3.8
67.05491	6.0
69.03423	6.9
69.07066	3.9
70.06595	2.5
70.79870	3.6
70.80205	4.4
71.04999	2.4
79.05499	3.7
81.03419	5.3
81.07059	16.6
83.04987	2.1
83.08585	3.1
85.02900	10.6
85.06586	1.8
86.09719	2.4
87.00835	4.7
91.05489	7.1
93.07030	9.5
95.08598	19.1
97.02890	3.8
99.04419	2.5
99.08100	3.0
105.01865	4.7
105.07037	17.2
107.08617	14.7
109.02911	4.5
109.06506	3.3
109.10158	14.6
113.09661	2.1
119.08595	50.6
121.10116	4.9
123.11721	3.0
127.03922	8.3
131.08543	3.4
133.10138	57.8
135.11699	21.7
145.05022	3.9
147.11769	3.1
153.01843	2.5
165.96426	2.2
173.13269	2.0
175.14836	100.0
193.15894	17.2
211.16928	8.5
279.15906	2.2
459.28986	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	459.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.1
58.97248	0.5
69.03064	0.5
69.03418	0.8
70.06583	2.2
70.91063	1.0
74.06084	0.6
81.03425	0.9
81.07064	0.6
84.08141	0.6
85.02936	1.3
97.02923	0.7
100.07612	1.8
107.03620	0.6
107.05008	0.6
109.05099	0.6
110.06013	0.6
120.06552	1.5
127.03975	0.9
128.07129	1.1
128.88898	0.5
134.04622	10.3
135.03059	0.9
140.02768	0.6
144.04781	6.0
145.05168	2.9
146.08151	4.3
149.99924	0.9
152.05699	1.9
153.01837	10.3
153.02986	1.2
154.02107	2.6
159.34830	0.5
163.36694	0.5
165.02316	8.7
167.02608	0.9
171.02858	0.6
178.03662	0.9
182.04970	76.5
183.03419	0.6
183.05191	0.8
208.02893	100.0
209.03079	0.7
287.03827	1.5
314.09119	1.6
327.08713	45.7
340.07114	0.7
384.93964	0.5
459.12424	0.6
459.18091	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	459.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03475	1.0
55.01888	1.3
55.05519	1.0
56.05033	3.6
57.03440	0.9
60.04549	1.3
62.06096	1.6
65.03958	0.7
67.05512	1.2
67.70267	0.7
68.05027	1.2
69.03448	1.8
69.07076	1.3
70.02966	5.2
70.06603	2.1
71.49871	1.0
71.50291	1.1
72.08166	1.0
76.04006	3.5
79.05499	4.1
80.05023	8.0
80.51516	0.8
81.03427	1.0
81.07057	1.9
82.06596	5.4
83.04977	0.7
84.04514	30.0
84.08160	0.9
85.02918	3.4
86.09715	1.7
88.04021	1.0
91.05497	2.1
94.06576	2.1
95.04967	2.4
96.04496	2.6
96.08141	2.9
97.01128	1.9
97.02906	1.3
98.06132	0.7
99.05579	4.1
100.07619	3.4
104.04994	1.7
105.05798	1.5
105.07043	1.0
106.06551	5.3
107.06094	1.4
107.07363	2.0
108.04472	2.0
108.08163	1.0
109.02901	2.0
109.05270	1.1
109.07667	12.8
110.06057	3.1
111.02686	1.4
112.02215	1.2
119.08642	0.7
122.06046	3.6
123.01461	0.8
123.02665	4.0
123.06834	11.0
124.02197	2.4
124.07607	18.5
125.00560	1.3
126.03748	1.1
126.05540	1.2
130.05049	5.7
131.04689	0.8
133.10196	1.3
134.04660	0.8
134.06029	5.4
136.07610	1.2
138.03743	15.3
140.01675	1.6
140.05309	6.3
140.07042	1.5
142.03281	1.0
144.01135	1.4
145.05014	0.7
145.06094	12.2
147.04361	1.1
151.08627	0.9
152.07082	100.0
153.01839	2.9
153.06606	4.1
153.07684	1.0
153.10242	0.8
154.08684	1.7
155.08170	13.9
156.04797	2.8
165.02345	0.8
166.03252	24.2
168.04797	18.4
177.03276	0.9
179.04916	4.3
179.08250	1.0
181.06111	1.0
181.09750	2.0
182.04965	3.2
184.04323	3.9
185.03804	2.3
186.05850	11.9
192.04753	2.0
194.02747	2.8
195.06003	0.7
199.07169	3.9
200.07448	1.3
205.06302	0.9
208.02968	2.7
209.07457	3.3
210.05820	3.2
211.08992	0.9
212.03819	1.1
215.08179	1.3
223.05383	6.9
223.07288	1.5
227.08510	8.6
231.04381	14.9
233.05905	1.9
238.05342	1.1
241.06480	1.6
245.09189	2.2
255.07927	1.6
257.07703	2.0
259.10751	1.5
260.11551	7.5
265.10092	1.0
269.05948	21.3
289.05191	1.2
291.05771	1.2
293.09564	34.7
294.09909	1.2
308.09262	3.9
312.10141	4.2
313.08398	1.8
321.09097	7.0
327.08694	2.8
330.11212	39.7
331.11649	2.0
366.11136	1.2
384.12326	7.8
394.96729	0.9
396.12296	12.4
441.14380	4.9
442.12878	1.0
459.15414	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	18.6
57.07080	7.4
59.05016	1.4
65.75936	1.0
67.05495	3.6
69.07073	18.4
69.68457	5.6
70.06593	2.1
71.08627	2.8
73.06552	1.6
79.05470	1.4
81.07057	3.9
83.08624	9.6
85.10173	1.2
87.04470	0.9
88.07648	1.4
89.48589	0.9
91.02416	1.0
91.05473	2.5
93.07034	1.6
95.08618	3.1
97.10167	5.0
102.09149	1.1
105.07034	2.2
107.08581	1.2
109.10149	3.2
111.11721	1.7
115.05470	3.1
117.07026	8.4
119.08583	1.6
121.06501	1.4
123.04514	1.1
128.06215	1.9
129.07005	3.8
130.07814	1.2
131.08572	2.5
133.06505	1.8
133.10091	1.0
135.08052	2.1
137.05952	1.9
142.07747	3.0
143.08577	2.6
144.05672	2.9
145.06494	17.4
145.10130	4.4
149.06023	2.2
155.06071	1.0
155.08600	1.9
157.06529	1.1
157.10159	4.0
158.07263	1.8
159.08078	2.4
159.11688	2.1
160.04103	0.9
160.05185	4.8
161.06010	14.0
161.09648	1.6
162.32065	0.9
163.07544	26.7
171.08052	1.1
172.08864	2.0
172.21495	1.0
173.06091	2.4
173.09633	10.5
174.06757	2.2
175.07594	2.3
177.09152	2.2
185.09683	6.6
187.07564	1.7
187.11163	7.7
188.08348	1.9
189.09091	11.4
199.11191	1.0
200.20119	2.7
201.09120	100.0
201.20364	1.2
201.43779	0.9
202.09435	2.2
203.10681	14.4
203.58060	1.0
205.12251	41.9
217.12193	1.5
231.13736	1.0
284.26700	2.2
306.42395	1.0
407.33044	1.3
409.35196	1.1
425.34183	12.7
426.34665	1.0
427.35706	16.5
457.35941	6.1
457.44238	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69016	4.4
50.98564	4.2
53.03952	5.0
53.99954	4.0
55.05500	4.3
67.05501	6.6
68.99774	3.9
69.03432	14.2
69.91376	8.2
69.91787	14.3
71.04996	6.3
73.02921	5.2
79.05476	7.1
81.03413	17.1
81.07046	9.4
85.02909	30.6
85.06548	6.5
87.00843	18.8
90.51086	3.6
91.05488	13.7
93.07050	16.3
95.04979	3.6
95.08602	10.7
97.02908	16.3
97.06544	15.1
99.04466	4.3
105.01930	6.5
105.07030	32.3
107.08612	14.3
109.02907	6.2
109.06496	5.0
109.10184	4.9
119.08565	16.6
121.10156	10.3
127.03950	24.1
130.12137	4.1
131.08588	40.1
133.10141	100.0
135.08073	8.1
135.11662	5.4
143.08568	7.6
145.04977	8.1
145.10115	11.2
147.11650	14.1
149.09561	7.3
149.13303	8.4
151.11186	4.1
153.01825	6.3
153.09026	4.0
158.10939	9.7
163.14828	9.3
171.11755	5.6
173.13295	87.9
175.14842	6.8
186.26003	4.2
191.14313	71.9
209.15410	14.5
231.05110	4.6
235.51237	4.0
299.75894	4.1
304.05380	4.5
305.05585	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82920	2.7
55.05502	3.7
57.07097	4.4
67.05501	7.9
69.03427	15.1
69.07069	5.1
69.47138	20.8
71.05003	7.2
74.20109	2.6
79.05497	6.5
81.03436	9.0
81.07059	9.5
82.92131	2.6
83.04974	5.7
83.08636	2.5
85.02919	19.6
85.06563	3.2
87.00829	8.8
91.05486	8.2
93.07053	7.7
95.04994	5.0
95.08615	11.7
97.02908	8.0
97.06551	4.0
99.04449	4.7
105.01842	4.2
105.07042	11.9
107.08595	20.2
109.02891	7.8
109.06530	62.7
109.10175	18.0
110.62323	2.5
115.82277	2.6
117.22793	2.5
119.08585	7.4
121.06514	2.4
121.10155	17.3
123.08094	7.9
125.05953	2.5
125.09682	5.2
127.03980	12.3
131.08617	14.5
133.10156	24.0
135.08046	30.8
137.09615	4.1
143.03401	4.3
143.08575	3.2
145.04996	4.3
145.10132	4.9
147.11708	7.7
149.09607	7.6
149.13281	8.4
151.11205	27.8
153.01836	52.8
153.02963	6.2
153.09061	3.4
159.02963	4.5
163.14780	6.6
165.12810	3.2
173.13283	24.5
191.14322	67.8
209.15398	45.0
267.54785	2.7
371.13492	3.4
413.15649	7.7
439.98831	3.7
457.14789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47454	2.4
53.03949	5.5
55.01863	4.3
57.03426	3.3
61.86000	2.5
67.05507	3.8
67.16165	2.4
69.03436	17.5
69.07076	3.8
69.57818	4.2
69.58120	17.5
71.04980	7.5
73.02925	2.9
79.05506	6.1
81.03432	13.9
81.07050	8.7
85.02901	22.5
85.06564	6.3
87.00825	10.8
91.05466	12.2
93.07058	6.4
95.08609	8.7
97.02892	11.0
97.06519	8.4
98.21443	5.6
99.04423	4.3
105.01858	5.8
105.07034	29.2
107.08598	13.8
109.02866	13.4
109.06511	6.9
109.10135	4.7
117.07004	5.9
119.08594	11.4
120.08102	3.7
121.10126	11.8
123.08057	3.6
123.11700	3.6
127.03912	17.9
131.08568	27.0
133.10143	100.0
135.08051	8.8
135.11726	3.1
135.40614	2.5
137.09636	8.2
141.42590	2.6
143.08562	5.2
145.04938	10.3
145.10112	11.8
147.11684	9.5
149.09613	3.1
149.13266	6.7
151.11252	15.5
153.01810	8.5
158.10893	5.3
159.02957	4.0
163.14815	4.9
165.12798	17.3
173.13275	66.1
191.14328	50.5
194.82268	3.0
209.15379	46.7
293.74088	3.0
316.57254	2.6
457.14740	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.8
55.01866	4.2
55.05517	4.6
57.03437	2.7
57.07075	2.3
59.04995	1.7
61.02938	2.2
61.27493	1.4
67.05516	8.5
69.03439	9.3
69.07068	3.1
70.06583	2.3
70.68977	5.5
71.05006	8.2
79.05500	8.3
81.03393	10.1
81.07072	10.1
85.02909	26.5
85.06545	2.5
87.00824	10.9
91.05487	12.2
93.07048	6.7
95.04978	8.8
95.08605	10.0
97.02912	9.6
97.06539	3.6
99.04447	4.1
100.85657	1.5
105.01865	6.8
105.07037	15.5
107.04976	1.9
107.08598	15.4
109.02886	9.0
109.06525	100.0
109.10156	22.3
109.37891	1.7
115.05466	2.5
116.06226	1.6
117.06989	3.0
119.08592	9.9
121.06516	3.9
121.10159	6.8
123.08090	16.8
123.45961	1.7
125.09668	2.2
127.03930	12.7
131.08549	22.4
133.10141	54.8
135.08063	46.0
143.08591	4.4
145.04980	7.2
145.10136	6.9
147.11697	6.5
149.09618	5.8
149.13249	3.5
150.10431	2.4
151.07558	2.3
153.01874	14.0
153.09102	4.3
155.08533	1.7
158.10962	6.4
159.02904	3.9
163.11255	2.4
165.09119	4.0
173.13283	35.9
191.14328	98.3
192.14679	2.0
200.26988	1.7
209.15388	35.8
219.14105	1.6
231.05058	2.4
419.37302	1.7
457.24442	2.5
464.68683	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.8
55.01868	10.3
55.05503	3.7
57.03443	9.8
58.12943	1.4
61.02914	5.6
67.05495	4.9
68.99792	4.4
69.03433	44.0
69.07071	13.9
71.01347	1.5
71.04983	5.9
73.02920	12.0
79.05489	8.6
81.03420	59.8
81.07056	7.4
83.01345	2.0
83.04980	1.6
83.08632	3.7
85.02909	81.2
87.00829	38.9
91.03931	3.1
91.05475	6.9
93.07043	6.2
95.04975	10.4
95.05473	1.6
95.08591	5.9
97.02901	27.5
97.06554	3.3
98.21459	3.4
99.04462	20.3
101.97932	1.6
103.03971	1.9
105.01872	25.6
105.06990	7.1
107.04952	5.0
107.08592	9.0
109.02888	48.9
109.06515	5.1
109.10126	2.8
115.03977	1.6
117.01855	6.5
117.06994	2.3
119.08570	6.0
121.06515	7.8
121.10168	3.7
122.07275	5.3
123.08076	24.5
127.03925	86.5
129.01846	6.4
131.08527	4.4
133.06470	1.8
133.10126	6.9
135.08063	43.3
135.11644	2.9
137.09596	1.6
145.04964	39.6
145.10132	2.5
147.02904	6.1
147.08034	1.8
147.11720	2.8
149.09627	2.2
149.13235	1.9
159.02901	33.4
163.14844	2.1
165.09247	2.1
165.12766	26.3
173.09625	1.6
173.13214	2.2
175.14862	2.7
176.11978	3.6
177.03951	4.0
191.14310	100.0
193.12206	1.7
193.15886	6.6
205.12302	1.6
207.13774	10.1
209.15373	18.7
213.03976	3.8
229.44385	1.8
231.05006	25.0
278.15796	1.5
365.21289	2.2
377.16141	2.9
379.31683	1.6
383.22025	1.9
395.16922	4.3
413.17862	6.9
457.20544	45.4
457.26016	6.5
473.16202	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68609	2.7
53.03955	3.9
55.01853	3.6
55.05498	10.1
57.07061	4.5
58.22739	2.8
61.02905	6.6
67.05496	13.6
69.03096	3.6
69.03434	52.3
69.07066	6.2
70.02956	5.0
70.06597	35.4
71.04958	4.0
71.05910	4.7
71.06243	4.3
72.08149	11.4
73.02904	4.2
79.05487	10.4
81.03416	12.1
81.07062	17.1
83.04981	9.8
83.08630	4.8
85.02911	27.4
85.06535	4.4
87.00810	9.2
88.03977	5.2
91.05464	16.8
93.07066	14.4
95.04962	7.0
95.08609	16.9
97.02921	17.1
97.06547	4.8
99.04444	4.2
105.01871	4.9
105.07035	10.9
106.06543	3.3
107.04968	7.3
107.08604	19.6
109.02856	7.7
109.06506	10.8
109.10133	7.0
117.07024	3.4
118.06545	6.1
119.08569	11.1
120.08151	4.4
121.06554	8.3
121.10128	18.9
123.08064	8.8
123.11707	7.5
125.09650	22.4
127.03907	14.4
131.04930	6.5
131.08536	10.7
133.10138	9.6
135.08061	21.5
135.11673	7.2
136.07553	3.3
137.09578	7.3
143.08614	4.6
145.04962	8.1
145.06465	4.4
145.10129	7.5
145.33215	3.1
146.06047	21.5
147.11642	7.1
149.09605	10.3
149.13223	4.2
150.10364	3.2
151.07594	3.8
153.01834	35.3
153.09125	9.1
158.10892	4.5
161.09633	3.0
162.05510	7.1
163.11147	4.2
163.14819	5.7
165.05446	4.1
165.09094	14.0
165.12822	3.8
170.09499	3.1
173.13264	29.0
185.09297	8.6
188.07137	5.2
191.14317	100.0
192.14587	4.8
209.13496	6.0
209.15388	93.8
213.08771	3.2
217.13358	5.2
286.10748	3.9
289.05313	7.9
309.63086	4.7
332.16101	3.4
383.12479	4.2
457.24716	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68609	2.7
53.03955	3.9
55.01853	3.6
55.05498	10.1
57.07061	4.5
58.22739	2.8
61.02905	6.6
67.05496	13.6
69.03096	3.6
69.03434	52.3
69.07066	6.2
70.02956	5.0
70.06597	35.4
71.04958	4.0
71.05910	4.7
71.06243	4.3
72.08149	11.4
73.02904	4.2
79.05487	10.4
81.03416	12.1
81.07062	17.1
83.04981	9.8
83.08630	4.8
85.02911	27.4
85.06535	4.4
87.00810	9.2
88.03977	5.2
91.05464	16.8
93.07066	14.4
95.04962	7.0
95.08609	16.9
97.02921	17.1
97.06547	4.8
99.04444	4.2
105.01871	4.9
105.07035	10.9
106.06543	3.3
107.04968	7.3
107.08604	19.6
109.02856	7.7
109.06506	10.8
109.10133	7.0
117.07024	3.4
118.06545	6.1
119.08569	11.1
120.08151	4.4
121.06554	8.3
121.10128	18.9
123.08064	8.8
123.11707	7.5
125.09650	22.4
127.03907	14.4
131.04930	6.5
131.08536	10.7
133.10138	9.6
135.08061	21.5
135.11673	7.2
136.07553	3.3
137.09578	7.3
143.08614	4.6
145.04962	8.1
145.06465	4.4
145.10129	7.5
145.33215	3.1
146.06047	21.5
147.11642	7.1
149.09605	10.3
149.13223	4.2
150.10364	3.2
151.07594	3.8
153.01834	35.3
153.09125	9.1
158.10892	4.5
161.09633	3.0
162.05510	7.1
163.11147	4.2
163.14819	5.7
165.05446	4.1
165.09094	14.0
165.12822	3.8
170.09499	3.1
173.13264	29.0
185.09297	8.6
188.07137	5.2
191.14317	100.0
192.14587	4.8
209.13496	6.0
209.15388	93.8
213.08771	3.2
217.13358	5.2
286.10748	3.9
289.05313	7.9
309.63086	4.7
332.16101	3.4
383.12479	4.2
457.24716	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	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.01876	3.7
55.05511	1.8
57.03429	2.8
61.02925	1.7
67.05480	2.1
68.99809	2.0
69.03442	11.5
69.07060	1.6
70.06600	9.2
70.42350	2.7
70.42728	2.0
71.04992	3.5
73.02914	2.4
74.45152	1.1
79.05489	3.5
81.03420	9.7
81.07069	3.4
84.04478	1.5
85.02917	22.0
85.06538	2.8
86.09696	2.1
87.00848	10.4
91.03973	1.4
91.05482	8.9
93.07063	6.0
95.04971	4.2
95.08619	4.1
95.42884	1.1
97.02888	8.7
97.06538	2.9
99.04465	5.8
103.88042	1.3
105.01887	6.1
105.07036	18.3
107.08607	12.7
109.02902	10.9
109.06535	8.5
109.10202	2.9
112.07623	4.4
113.07955	2.1
115.61777	1.2
117.01833	1.9
117.07001	2.3
119.08583	4.6
121.10172	5.7
123.08082	2.7
125.39187	1.3
127.03940	14.3
129.01859	1.3
129.06918	1.4
131.08588	23.7
133.10141	100.0
135.08073	8.2
140.07106	1.6
143.08580	2.6
145.04996	5.4
145.10092	7.5
147.11650	5.7
149.09636	6.6
149.13246	4.7
153.01837	12.0
153.09189	1.4
158.10872	6.7
159.02946	6.7
173.13281	42.4
191.14323	38.2
191.16077	1.5
200.49609	1.3
209.15456	4.7
231.05090	1.9
242.15729	1.2
268.10025	1.3
366.50198	1.3
413.17908	4.0
457.15894	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
53.65667	1.0
55.01880	2.0
55.05502	2.0
57.03443	1.6
67.05512	1.5
69.03426	6.6
69.07072	1.4
70.06586	2.0
70.86015	2.7
71.04972	1.4
72.08160	1.3
72.92494	1.0
73.02912	1.7
79.05503	2.1
81.03433	6.9
81.07052	1.7
83.04982	1.8
83.08631	1.1
84.33146	1.1
85.02913	11.9
87.00842	4.7
91.05492	3.9
93.07056	5.7
95.04969	2.3
95.08618	4.1
96.67034	1.1
97.02885	3.7
97.06520	1.7
99.04477	1.8
99.08067	1.3
105.01854	1.5
105.07060	5.9
107.08613	6.6
109.02888	6.5
109.06555	1.7
109.10130	1.2
119.08585	1.4
121.10159	6.2
123.04447	1.1
123.11735	1.3
127.03913	6.2
131.08594	3.2
133.10136	5.0
135.08072	3.4
136.47694	1.2
137.09633	3.9
137.55333	1.1
145.04988	3.3
145.10179	1.2
147.04457	7.8
147.11685	1.8
149.09630	100.0
149.13274	4.3
151.11131	1.3
153.01851	13.3
153.03006	1.9
159.02943	2.8
171.13362	1.1
173.13274	6.0
191.14337	16.4
209.15385	24.3
235.05933	2.0
240.50169	1.1
295.08167	5.2
457.16415	5.3
457.24722	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1474
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
51.90011	1.4
69.03416	1.9
69.59054	12.4
69.78431	1.5
70.06606	2.1
73.04080	1.6
77.35942	1.6
79.05491	2.3
81.07075	1.9
86.09721	3.7
93.07038	1.9
95.08598	1.6
95.86698	1.5
98.97600	9.2
112.99148	2.5
116.98682	1.8
147.04413	6.3
149.09668	4.8
153.01915	2.2
158.99657	2.7
177.00777	2.6
190.22568	2.2
191.02176	1.6
191.14319	2.0
219.01843	1.8
251.09680	2.4
269.10706	3.2
276.92249	1.8
293.10699	2.9
305.02698	43.2
311.11923	1.9
413.16113	6.9
439.13837	22.3
457.14725	100.0
457.23959	12.5
458.15024	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	457.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06784	0.9
57.30298	1.1
64.33652	0.9
70.06609	1.6
71.50203	1.3
74.83999	1.0
76.95900	1.0
77.22987	1.0
81.03444	1.1
81.07055	1.5
84.08135	1.1
97.02908	1.5
101.00858	0.9
103.96816	1.3
107.08572	1.1
109.02862	1.7
117.84657	0.9
119.01925	2.0
124.07621	0.9
133.10114	1.7
147.04413	2.1
148.04800	1.1
153.01849	4.3
174.83344	1.0
191.10452	2.6
203.05302	3.1
233.10384	1.5
245.06348	8.4
251.11377	3.5
269.12479	1.3
271.04318	1.1
287.25586	1.2
289.05316	89.1
290.05707	1.5
310.19324	1.0
337.11279	1.4
392.21954	0.9
395.16995	1.2
413.17841	5.7
439.15863	5.7
457.16885	100.0
458.17172	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	457.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.3
69.03417	1.6
70.06587	1.7
71.33615	2.2
81.03429	2.5
85.02895	2.7
86.09710	2.3
91.05472	3.5
93.07087	1.1
93.41302	1.1
95.04960	1.4
95.08604	2.2
99.04457	1.2
109.02830	1.3
119.07332	1.7
119.86399	1.1
127.03915	1.9
143.03413	4.9
144.04813	1.9
153.01846	41.1
189.05522	1.6
191.10490	2.3
191.14240	1.3
192.04117	1.6
193.04930	1.4
203.05321	2.2
217.04991	4.6
233.08195	1.9
235.06023	9.8
245.06342	9.8
277.07123	6.0
289.05316	100.0
290.05640	1.9
295.08130	32.9
316.13760	2.0
325.03589	1.3
335.12167	1.2
384.47684	1.2
413.17883	10.5
457.16837	94.5
458.17416	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	456.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
61.42879	0.8
70.06607	6.0
71.04964	0.9
71.51418	1.5
79.01853	1.4
79.05492	2.6
80.05023	1.0
81.03407	1.5
81.05798	2.1
81.07060	3.6
84.04521	0.8
85.02903	1.7
94.06549	1.1
95.05013	1.0
96.04478	1.1
96.08142	11.5
97.02878	0.9
106.06544	0.8
109.02872	1.2
111.78036	0.8
112.07629	2.1
123.82131	0.8
124.07600	77.7
125.02345	1.0
125.07968	0.9
127.03932	1.7
139.69868	0.9
142.08647	100.0
143.03386	1.2
145.08589	1.3
153.01839	15.5
153.02953	1.1
162.05450	0.9
171.02853	1.1
191.07027	4.7
208.68121	0.9
213.03366	0.8
250.48990	0.7
276.11374	0.8
294.12610	1.2
297.06198	1.0
439.10007	1.2
456.14246	6.8
457.16818	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	456.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.01863	2.7
55.05501	2.1
57.03426	2.4
57.03704	0.6
61.02919	2.6
67.05518	3.7
68.05831	0.9
69.03432	10.6
71.04980	1.3
71.51450	1.0
73.02914	1.9
79.05505	1.1
81.03419	7.4
81.07045	2.9
83.08610	0.8
85.02910	31.1
86.09685	0.7
87.00835	11.6
91.03954	0.7
91.05500	3.5
93.07019	1.2
95.04977	1.5
97.02894	9.8
99.04458	5.8
105.01873	17.5
105.07041	2.9
107.08604	2.0
108.04455	1.4
109.02884	9.6
109.10159	2.2
117.01867	0.7
117.07009	1.3
121.10162	0.7
127.03928	21.0
129.01819	1.1
129.06990	1.6
131.08577	56.7
132.08919	0.7
133.10101	1.3
135.08051	0.7
135.11702	0.8
140.05804	0.6
145.04956	9.9
145.10139	4.4
158.10931	1.3
159.02963	3.2
165.12726	1.0
171.11707	1.3
173.13272	100.0
174.13594	2.0
189.03922	1.1
191.14272	1.9
212.06741	0.7
213.03888	0.9
231.05048	6.7
248.07686	1.1
249.06093	2.9
302.24686	1.0
365.21112	0.7
457.25952	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
56.96562	1.6
64.59371	0.8
68.89060	0.9
69.03423	3.6
69.26252	0.9
70.23782	3.5
70.76956	0.9
71.01355	1.1
78.76353	0.8
79.01862	4.3
79.53355	0.9
81.03416	10.4
85.02901	3.0
86.09746	0.8
97.02890	23.1
99.04472	1.1
100.60450	0.8
107.01319	2.7
109.02882	8.0
116.69782	0.8
125.02355	61.2
127.03925	6.1
143.03394	46.6
147.04352	1.3
153.01834	100.0
153.02885	5.0
159.04286	1.0
171.02863	9.3
247.02338	0.9
275.02036	1.7
289.05334	4.2
297.06061	8.8
299.91876	0.9
303.01447	7.3
311.00861	0.9
315.06973	1.6
319.10822	1.0
376.98074	1.0
413.17770	1.2
457.11624	1.4
457.16806	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13420	0.2
52.30130	0.2
58.17484	0.2
61.09515	0.2
98.21562	0.4
112.89612	100.0
114.89348	1.3
115.93146	0.2
135.29323	0.2
143.01906	0.4
161.03046	0.4
172.90782	0.4
190.91893	0.4
232.92708	0.2
245.05338	0.2
249.78539	0.2
261.90720	0.2
263.06201	0.5
274.93976	0.4
275.06168	0.4
292.95090	0.3
381.07980	1.1
455.11661	16.8
456.12097	0.6
467.68820	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	455.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01865	1.8
55.05512	1.2
57.03444	1.0
59.05006	0.6
67.05493	1.3
68.99770	1.6
69.03426	5.1
69.07073	1.7
71.04992	0.6
74.43871	0.5
79.01852	2.7
79.05490	1.3
81.03410	4.1
81.07065	1.8
83.04980	1.2
85.02910	6.6
87.00816	3.1
88.01757	0.5
91.05495	3.4
93.07041	2.2
93.82451	0.6
95.04964	1.9
95.08604	1.0
97.02902	3.3
99.04447	1.4
105.01864	1.7
105.07039	18.5
107.08652	3.1
107.09235	0.7
109.02880	3.4
109.06522	2.2
115.89353	0.7
117.07053	1.2
119.04970	3.9
119.08595	11.2
121.02917	0.8
121.06524	1.8
121.09315	0.6
121.10161	2.7
123.08096	3.2
123.11704	0.6
125.02347	1.6
127.03941	5.0
127.91780	0.5
128.06229	0.8
129.07056	0.9
131.08569	4.7
133.06509	8.2
133.10156	4.3
135.08104	3.2
137.02344	2.3
137.09647	0.8
143.03464	2.9
143.04416	0.6
143.08583	4.7
145.04947	1.1
145.10153	4.4
147.08063	8.0
147.11707	6.5
148.08902	0.6
149.08435	0.8
149.09634	21.7
151.07559	6.6
153.01851	39.6
153.02957	3.0
156.09344	4.6
159.02907	1.2
159.11739	1.2
161.09642	0.8
161.13266	6.7
163.11137	0.8
165.01860	1.1
165.12764	1.9
171.11687	12.4
173.13264	0.8
189.12758	45.2
190.13100	0.8
191.14305	8.9
201.05467	1.2
207.13817	100.0
208.14177	2.4
229.04922	3.5
257.04413	1.9
285.03809	1.2
303.05014	40.2
304.05359	0.9
391.75342	0.7
455.06137	12.7
455.22455	2.2
456.06570	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.353
Annotation	Embelinone
Peak:m/z	Relative Intensity
50.05720	0.6
54.14024	0.6
55.05508	2.9
57.07076	1.0
67.05504	3.5
69.03414	1.1
69.07068	3.3
71.08638	0.9
79.05492	1.5
81.07059	5.0
82.77696	0.6
83.04977	0.6
83.08620	1.8
88.07570	0.8
91.05495	1.8
93.07036	2.5
95.08603	7.7
97.10168	1.7
105.07064	3.6
105.73909	0.7
107.08607	5.4
109.06532	1.0
109.10155	5.7
111.11697	1.1
119.08582	5.2
121.10163	4.3
123.08099	0.9
123.11714	2.6
131.08583	3.2
133.10141	4.6
135.08075	0.8
135.11676	2.9
137.09642	0.9
137.13248	1.8
141.06958	0.7
143.08574	1.0
145.10147	3.6
146.03580	0.6
147.11687	0.9
149.09615	0.9
149.13243	1.3
157.10156	1.3
159.11703	1.6
161.09616	2.0
161.13309	1.5
169.10112	0.7
170.10858	0.7
171.11665	0.9
173.09702	1.0
173.11824	1.5
173.13251	10.8
175.14848	0.9
185.13344	1.7
187.14857	2.3
189.12709	0.8
189.16472	0.9
191.17947	2.1
199.14876	1.1
213.12825	1.2
215.14369	1.2
227.14395	1.7
229.15878	1.2
233.15372	3.8
263.17929	0.8
281.19006	0.8
283.26468	0.7
287.27560	0.7
299.20261	0.9
419.33212	1.9
437.34244	13.3
455.35226	100.0
456.35474	4.8
456.44736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3524
Annotation	Krukovine A
Peak:m/z	Relative Intensity
55.01864	1.4
55.05519	11.2
57.07081	8.7
61.44004	1.6
67.05515	11.5
69.07085	8.5
71.08623	4.8
71.51163	2.1
79.05495	9.5
81.07063	18.0
82.27939	1.5
83.08617	6.8
85.06548	2.3
85.10168	3.5
91.05482	6.2
93.07043	11.9
95.04938	2.1
95.08624	19.5
97.06529	1.8
97.10157	7.9
97.66408	1.5
99.08099	1.8
105.07053	11.0
106.74634	1.3
107.08604	22.8
107.43575	1.5
109.06522	2.9
109.10152	14.4
111.08110	2.7
119.08592	22.6
121.06517	3.0
121.10152	10.0
123.08045	2.8
123.11725	4.6
125.06049	8.7
125.09641	8.4
129.07010	1.8
131.08542	2.2
133.10155	24.1
135.08044	3.6
135.11719	23.3
137.09598	2.7
139.07506	5.2
145.10164	10.8
147.11685	13.9
149.13280	3.4
151.11212	4.3
157.10139	4.5
159.08078	3.6
159.11694	6.0
161.09578	3.8
161.13260	5.4
163.14836	5.5
163.84196	1.6
169.10202	2.1
171.11670	2.6
173.09593	5.6
173.13281	1.7
175.11157	6.1
177.09096	4.5
185.13313	2.0
187.11232	11.1
187.14795	7.2
189.16406	44.7
191.10684	3.5
197.13304	4.3
199.14882	2.6
199.17502	1.6
205.15930	4.0
205.19475	2.4
207.17461	100.0
208.17673	1.6
211.14844	2.6
213.16312	3.7
215.14349	18.5
229.15903	77.1
231.17419	10.8
233.15390	32.9
239.23595	2.5
243.17490	5.2
247.16948	27.0
257.18942	1.5
283.20602	4.4
419.33551	3.0
437.34213	35.8
438.34875	2.2
455.35275	86.0
456.35513	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	455.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00329	0.3
53.03942	0.9
53.58497	0.4
54.28788	0.3
55.01883	0.4
57.03423	0.9
61.02919	1.5
63.00022	0.4
69.03436	4.5
70.06598	1.0
70.65454	1.0
71.04991	0.8
72.08154	0.3
73.02901	0.8
79.05488	1.3
80.51149	0.4
81.03411	2.3
81.07061	0.4
84.04499	0.5
84.08168	0.5
85.02913	8.1
85.06575	0.3
87.04488	0.5
89.03929	0.5
91.05477	0.5
95.04993	0.6
97.02902	4.1
99.04478	0.5
105.06988	0.4
107.04964	1.4
109.02878	1.2
117.03368	0.5
119.04898	0.7
123.04462	1.1
124.07600	0.5
126.05533	0.5
127.03909	2.4
135.04427	1.2
141.28719	0.4
142.08702	0.5
145.02954	0.4
145.04945	1.3
147.04440	2.4
151.03883	1.0
153.01817	1.5
163.03931	13.5
173.02397	0.5
175.03949	0.8
177.01839	5.6
177.05507	0.6
179.03462	1.6
181.05148	0.4
186.46820	0.4
190.46140	0.4
191.03404	30.6
192.03838	0.4
201.01906	1.2
203.03442	1.5
205.01350	9.7
207.02928	4.4
219.02905	79.3
220.03239	1.1
221.04503	1.2
229.01324	0.6
231.02922	0.8
235.33418	0.4
237.03925	1.0
241.09975	0.4
243.59447	0.4
247.02409	16.9
249.03983	7.6
265.03384	2.6
275.01889	4.2
275.13791	0.4
293.02930	100.0
294.03244	1.7
335.55313	0.4
348.72122	0.4
455.07904	2.8
455.14374	0.5
455.20560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.4
51.02378	0.8
53.03951	0.6
55.01862	0.6
55.02432	0.3
55.05506	0.4
57.03432	0.5
60.11361	0.3
61.02933	0.4
65.03918	0.4
65.69004	0.3
67.01856	0.5
67.05508	0.7
68.99784	1.6
69.03439	2.0
69.07054	1.2
70.06591	0.4
71.04989	0.4
71.51995	0.5
71.52360	0.3
74.09296	0.3
79.01859	7.1
79.05487	0.5
81.03405	2.0
81.07054	1.3
83.04990	0.4
83.08617	0.4
84.08138	0.3
85.02910	2.7
85.06552	0.5
86.09733	0.3
87.00835	1.4
91.05481	1.4
93.07066	1.0
95.04979	1.4
95.08611	0.7
97.02901	2.6
98.90672	0.3
99.04436	0.7
105.01853	0.4
105.07032	2.2
107.01308	1.7
107.08624	1.5
109.02887	2.2
109.06503	1.0
109.10162	0.5
111.00810	1.2
111.04585	0.3
117.01853	0.4
117.06984	0.8
119.04870	0.3
119.08559	2.1
121.02869	1.7
121.10140	0.7
123.00790	0.4
123.04404	0.6
123.08054	1.0
125.02345	3.6
127.03927	2.2
127.69183	0.3
129.06969	0.3
131.04964	0.4
131.08586	1.4
133.06497	0.6
133.10129	0.7
135.04401	0.3
135.08073	2.3
137.02359	4.3
137.05988	0.4
141.06944	0.3
143.03403	7.8
143.08652	0.3
145.04987	0.5
145.06497	0.8
145.10132	0.8
147.04420	0.4
147.08035	1.9
147.11716	0.7
149.02409	0.6
149.09656	1.1
151.07509	1.5
153.01839	100.0
153.02916	6.9
154.02187	1.1
155.04912	0.5
159.02853	0.5
159.08037	0.5
159.11729	0.5
161.06003	0.6
161.09642	0.5
163.03925	0.8
163.11201	1.0
165.01822	3.1
166.02654	0.5
171.11667	1.0
173.06003	0.9
173.13321	0.4
175.11302	0.3
179.03371	0.4
183.02943	1.0
183.04417	0.7
186.38275	0.3
187.03940	0.6
189.12747	9.7
189.14461	0.6
191.14319	4.1
195.02945	0.4
201.05515	2.7
205.04900	0.3
207.10187	0.3
207.13835	5.2
219.06680	0.7
228.04112	0.5
229.04976	7.9
247.06042	1.1
257.04465	5.0
274.04819	0.9
275.05554	1.2
275.16177	0.4
275.20258	0.6
285.03952	3.6
303.05002	87.0
304.05386	1.7
351.09894	0.3
436.89871	0.4
455.06137	29.3
455.22610	8.9
456.06274	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.293
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05509	3.3
57.03445	4.7
57.07082	22.2
60.25802	0.8
62.05798	1.2
62.06097	21.1
62.84069	0.7
67.05505	5.6
68.71474	0.8
69.07077	3.6
71.08637	15.6
81.07063	6.4
83.03471	0.7
83.08621	4.5
85.10189	9.4
91.05470	1.1
93.07045	1.2
95.08611	9.5
95.82009	0.7
97.10183	3.5
98.98496	6.6
109.10160	3.2
123.11658	1.2
124.01611	1.9
126.55718	0.7
142.02539	0.7
155.01062	5.6
173.02100	1.1
175.02313	0.7
198.05235	1.7
216.06354	2.2
239.23816	2.0
282.27893	11.5
313.27390	100.0
314.27640	2.6
393.24121	5.0
436.28192	2.2
454.29025	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.3
57.07080	35.8
67.05523	6.0
69.07060	3.6
70.06588	1.4
71.08642	24.6
71.51314	1.9
73.06558	5.5
79.05480	2.3
81.07053	4.1
83.08598	3.9
85.10185	20.2
87.04456	2.1
89.06038	100.0
91.05502	1.6
91.07594	1.4
95.08623	3.7
95.33070	1.1
97.10162	5.1
99.11733	3.3
100.11248	1.1
104.55591	1.3
107.07064	3.1
109.10145	2.1
129.06961	1.5
130.08711	2.0
133.08611	45.7
155.17993	2.9
157.96260	1.3
177.11252	17.4
195.12337	2.2
199.20547	2.8
239.14949	2.2
243.23250	6.7
281.70496	1.4
283.17560	16.4
287.25897	5.0
313.57043	1.4
320.68774	1.3
366.24100	1.3
384.60858	1.4
393.32132	1.4
431.54474	1.2
437.34842	15.3
454.34293	2.0
455.36551	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.1
56.96560	41.8
57.03447	12.4
61.02927	11.6
69.03436	30.6
69.87590	10.8
70.06586	4.3
70.98112	4.2
71.04980	3.5
71.50836	2.9
73.02900	11.0
73.70793	2.1
81.03408	8.3
82.99879	4.3
83.04951	3.1
84.04482	3.8
84.08134	7.3
84.96015	7.6
85.02437	3.6
85.02912	50.6
85.06534	2.9
86.03215	2.7
86.09709	2.7
86.99364	2.2
87.04464	4.1
97.02888	32.8
98.97589	80.4
99.04458	8.1
99.97937	2.8
100.99149	4.3
101.00872	18.6
102.05582	3.2
109.02878	10.9
110.07131	5.4
110.97586	29.0
112.89597	5.9
112.99110	18.2
113.00863	6.8
115.02428	11.0
116.98619	22.3
117.03981	5.9
119.00170	4.7
119.01920	23.0
120.06594	2.6
125.00851	3.2
127.02416	4.1
127.03943	17.4
128.97720	2.4
128.98622	34.3
129.03938	2.8
130.08682	3.0
131.00206	16.1
131.01903	27.8
131.05553	4.1
133.01701	4.6
133.03445	16.4
134.99605	6.7
135.05022	4.8
135.92896	2.7
136.06178	3.6
137.00816	3.9
140.98566	5.4
141.03975	4.3
143.00130	8.5
143.01903	21.3
144.98077	2.6
145.01733	5.4
145.03500	24.6
145.04955	9.3
146.99677	15.7
147.03276	4.4
147.05005	7.9
149.01195	9.2
149.06618	2.9
152.98616	5.4
153.01811	8.6
155.01900	33.8
156.02725	5.0
157.01680	3.6
157.03458	14.7
158.99635	20.1
159.03198	3.9
159.03693	2.9
159.05038	28.9
161.01253	6.9
161.02954	22.0
161.04366	3.6
161.06799	4.9
162.07642	3.2
163.02776	8.1
163.04469	8.3
165.00630	4.2
167.01982	3.6
169.04538	3.0
170.99678	15.3
171.03516	4.7
171.05000	34.4
173.01227	10.9
173.02962	37.3
173.04683	3.8
173.04944	3.3
173.06602	11.0
175.02734	7.5
177.00754	13.8
177.04259	9.1
177.06071	11.7
178.04936	4.1
181.54263	2.5
182.99655	8.6
183.05043	6.7
185.02931	17.9
185.06580	8.9
187.02821	3.9
187.04491	7.9
187.06235	2.7
189.00713	14.5
189.04419	4.0
189.06105	30.4
191.02242	7.0
191.03938	7.3
191.07590	3.0
193.03847	7.9
195.05139	3.5
195.07103	4.4
197.02982	8.1
199.04517	7.2
201.00694	29.0
201.04358	5.3
201.06110	18.3
203.03976	22.3
203.07634	9.4
207.01680	2.6
207.05075	3.5
209.06558	3.6
210.04002	3.0
210.54045	3.2
213.06075	6.9
215.02182	4.0
215.04036	4.2
215.07594	6.0
217.07394	4.8
219.01775	40.8
219.05191	4.3
219.07153	18.5
221.05070	62.8
221.06934	2.4
223.04874	3.2
231.07144	15.9
233.03253	3.4
237.02812	42.5
243.07184	7.5
245.05083	25.2
247.04942	3.4
249.02785	3.1
251.04417	15.5
255.06963	3.4
259.06741	5.8
261.02628	3.7
261.08286	64.1
269.05402	7.7
272.06531	8.6
273.08356	3.2
275.01846	3.3
275.10196	4.9
277.03244	6.6
279.04187	4.9
279.09268	100.0
281.05533	3.0
281.08844	2.7
291.00748	3.0
291.03793	5.2
291.09247	12.4
293.05240	17.5
293.11319	12.2
303.01361	16.2
305.10730	24.5
307.06989	6.0
307.10614	9.4
308.09451	6.6
309.04996	6.0
309.10422	5.7
311.06891	4.0
321.10446	65.5
322.10504	3.9
323.06497	8.7
323.09998	4.5
325.07895	2.6
331.04764	3.2
333.10236	4.3
337.07999	17.0
339.05890	5.8
339.09747	8.9
342.04205	4.9
345.10391	27.3
349.49377	3.1
351.10696	2.9
353.07516	4.3
355.09091	6.6
357.10526	3.6
358.05612	8.6
363.07632	7.1
375.11325	3.3
391.07242	2.9
393.12476	8.0
394.99246	3.3
395.08527	3.9
405.12381	11.0
411.12155	3.2
423.13516	7.1
455.11603	40.3
455.17365	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	454.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01884	8.0
55.05503	4.3
57.03441	20.7
57.07076	3.3
59.04993	2.2
61.02926	13.3
67.05500	6.4
69.03433	27.9
69.07072	19.2
71.01349	3.6
71.04998	8.5
71.51497	2.1
71.51909	1.6
73.02924	23.6
75.84333	1.5
79.05487	4.4
81.03405	7.8
81.07054	4.2
83.08611	8.3
83.27655	1.5
85.02909	100.0
87.04466	5.0
91.03952	5.6
91.05478	2.9
95.05010	2.4
95.08607	3.3
97.02298	2.5
97.02896	38.1
99.04456	5.2
100.11261	2.2
103.03934	3.8
105.07042	3.9
107.08620	3.3
108.09020	1.3
109.02877	9.2
111.04428	1.6
115.03947	19.1
119.08578	4.0
121.10176	2.1
125.51056	1.7
127.03925	26.3
131.08618	2.0
132.06508	2.1
133.04974	24.4
133.10139	2.8
139.07527	4.8
143.14299	4.3
145.04970	48.7
145.10162	2.2
150.07643	3.9
153.12695	2.8
154.32877	1.5
155.14290	2.7
156.09349	2.9
163.06026	14.2
169.08696	2.2
171.11667	4.8
173.13271	21.9
182.15440	1.9
183.13805	2.9
197.15312	2.0
209.11685	1.9
210.14903	2.6
223.05972	2.6
239.16386	1.9
251.16510	2.7
256.53320	1.5
259.08182	3.2
267.09067	3.1
269.17474	4.3
281.36722	1.9
285.10080	4.1
287.18484	3.4
305.19504	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.2
55.01852	4.9
55.05505	7.2
56.96566	4.4
57.03443	29.3
57.07048	3.7
58.72834	2.4
59.04989	4.9
61.02912	9.5
67.05511	13.3
69.03433	82.2
69.07082	16.1
70.07549	11.1
71.01350	2.4
71.05019	5.1
73.02924	6.9
74.94994	2.7
79.05488	5.1
81.03425	13.6
81.07060	15.4
83.04974	6.4
83.08607	10.3
85.02912	95.5
86.44523	2.5
87.04003	4.1
87.04476	52.7
91.03937	6.5
91.05505	4.6
93.07062	6.7
95.04961	7.7
95.08616	5.7
97.02302	4.0
97.02902	72.4
97.10187	2.4
99.04465	5.5
104.10751	2.9
105.07021	3.2
107.08624	6.8
109.02859	4.9
109.10172	5.0
115.03934	85.0
119.08571	3.0
121.10152	5.1
127.03922	18.1
131.08551	3.6
133.04977	100.0
139.07513	4.7
143.14307	3.1
145.04968	24.7
146.34615	2.9
150.07623	10.5
155.48857	2.5
163.06049	5.2
184.07361	3.6
193.12250	4.4
209.15295	5.4
211.06238	3.4
211.13316	4.8
241.07019	3.0
267.09085	22.0
267.16129	2.9
277.09195	2.9
285.10147	32.2
299.11630	3.7
308.11563	2.8
315.11029	4.1
317.12738	3.5
318.06781	4.0
324.11453	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	454.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43291	1.4
53.68354	1.2
54.36922	1.1
55.05512	2.1
59.05016	1.9
59.44520	1.4
60.47235	1.3
67.05496	1.7
69.03442	2.3
69.07069	4.2
70.63361	4.7
71.05000	15.3
73.06551	4.6
79.05486	5.5
80.63832	1.3
81.03405	1.8
81.07070	20.4
85.02924	3.5
87.00827	1.6
91.05500	2.5
93.07058	16.0
95.08614	2.8
97.02926	1.6
105.01878	4.5
107.08611	12.4
109.02880	1.8
109.10175	1.5
120.95299	1.3
122.07870	1.2
127.03934	2.9
134.28828	1.2
135.11723	24.1
135.70908	1.2
139.82823	1.3
142.93896	1.2
145.05003	1.7
151.11734	1.5
153.12761	100.0
161.49895	1.4
200.00394	1.3
368.09830	1.4
422.13779	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	9.2
55.05510	3.4
57.03441	6.1
61.02914	6.1
64.25874	2.8
67.05490	10.8
69.03436	39.5
69.07054	9.9
70.06592	9.4
70.85328	4.6
70.85656	5.4
71.04980	6.0
72.99008	2.8
79.01868	3.1
79.05481	6.2
81.03418	15.2
81.07048	9.3
83.04987	6.4
83.08614	5.0
84.04503	9.7
84.08114	3.2
85.02915	85.3
87.00839	36.5
90.05609	2.8
91.05499	8.7
93.07054	22.4
95.04953	3.9
95.08614	19.6
95.37217	2.8
97.02911	29.2
97.06544	25.1
99.04456	10.7
101.13766	3.0
103.70151	3.1
105.01210	5.0
105.01881	100.0
107.04956	4.1
107.08607	47.8
107.99400	5.9
109.02901	23.8
109.10162	29.1
110.06011	8.4
111.08115	3.9
112.07587	6.1
122.02391	5.1
122.06021	11.4
124.07608	9.2
127.03917	58.8
128.33189	3.9
130.05028	6.4
135.10701	6.2
135.11705	92.1
138.05507	3.2
139.03943	4.4
139.07591	4.1
140.07095	20.4
145.04955	32.4
147.04422	3.8
153.01836	33.0
153.09116	4.1
153.12759	84.4
155.07039	4.1
156.06511	3.9
159.02943	6.5
171.13860	6.5
191.03404	5.8
211.02202	5.5
214.08739	3.6
218.11755	3.4
219.02907	6.0
228.10268	4.3
229.10617	4.5
231.05017	20.7
239.12796	7.4
246.10852	3.4
249.06024	31.4
256.09436	4.2
260.55890	3.2
274.07214	5.5
274.10715	11.8
291.13339	10.4
292.11365	10.2
292.13739	21.5
293.02817	7.4
340.06186	4.4
454.05377	4.2
454.17789	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	452.241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
56.05037	0.4
57.03440	0.4
58.06622	0.4
60.08165	6.6
67.05508	0.7
69.07065	0.4
69.79600	0.7
69.80012	0.4
71.04998	0.2
71.07371	3.2
79.05486	0.5
81.07052	1.0
86.09709	31.9
91.05491	0.3
93.07039	0.6
95.08615	0.4
98.22733	0.2
98.98469	2.7
104.10748	4.0
107.08594	0.5
121.10187	0.3
125.00010	23.0
129.27553	0.2
136.77119	0.2
143.15141	0.2
149.13184	0.2
177.73924	0.2
184.07346	100.0
185.07666	0.5
237.74211	0.2
255.15887	0.4
383.47073	0.2
434.23026	1.2
452.18488	0.4
452.24118	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	454.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74124	3.4
69.03414	5.6
69.76942	19.6
80.05046	3.6
81.03376	4.0
81.29485	4.0
83.00959	3.6
85.02911	7.3
91.05472	7.9
95.04993	21.7
97.02847	3.6
99.01001	3.9
101.48768	3.7
103.94556	3.6
107.04956	63.0
111.04415	7.9
119.04949	59.2
123.04430	100.0
124.04749	6.8
135.04446	29.8
136.05267	4.2
139.03900	12.6
140.04175	5.3
140.07085	9.3
147.04478	18.1
163.03873	8.7
165.06921	5.6
173.48515	3.3
177.03249	5.5
191.03348	5.6
192.29669	3.8
199.07442	5.5
219.02841	12.7
229.08629	37.1
239.07028	4.7
257.08109	62.5
293.02927	22.3
323.94391	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	452.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.9
55.01876	5.2
55.05505	2.3
57.03432	4.6
58.22433	1.8
59.05009	11.1
61.02933	3.4
62.06082	5.8
65.03938	3.5
67.05501	7.5
68.99786	2.4
69.03429	21.4
70.24240	3.7
70.24657	6.1
71.05000	4.8
73.02895	4.2
79.05498	7.9
81.03423	16.1
81.07058	22.2
85.02908	59.9
86.09708	2.6
87.00837	23.4
91.05497	21.0
93.07047	43.1
95.04980	8.4
95.08627	4.3
97.02902	33.3
97.06562	2.3
99.04462	6.9
105.01867	43.0
105.07043	29.9
106.06543	9.6
107.08604	97.0
108.08115	5.2
108.08867	2.1
109.02868	16.4
109.06528	7.3
109.10167	9.6
121.02877	20.8
123.08095	5.3
123.11730	18.7
124.07616	5.8
126.00999	2.2
127.03925	45.9
127.04819	3.0
133.10139	80.8
134.06021	5.0
135.11659	2.1
136.07642	2.3
139.03949	2.1
139.75006	1.9
140.07066	3.1
141.07401	2.1
143.08679	2.0
145.04973	24.2
151.11192	100.0
152.07066	21.9
153.01849	5.0
159.02943	8.7
163.67993	2.0
165.49701	1.9
169.12286	6.2
170.08150	10.0
171.40875	2.0
175.11172	2.8
182.08130	2.4
183.08408	2.3
207.06697	2.1
207.08548	3.6
213.04045	3.2
217.00078	1.8
231.04994	17.9
249.06076	11.5
259.13391	4.0
265.07230	2.2
381.15527	5.5
399.16632	3.5
434.14581	2.0
452.15549	9.1
474.08185	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27124	0.5
55.05507	1.1
56.05035	1.3
57.03433	1.7
58.06590	1.4
60.08168	17.0
64.60263	0.6
67.05501	3.6
68.26186	0.5
69.03430	3.4
69.07069	1.8
71.05000	0.7
71.07375	7.5
71.19769	0.5
71.20129	1.0
71.94762	0.5
75.98249	0.5
79.05486	2.9
81.03382	0.7
81.07055	3.5
83.04967	0.7
83.08603	0.6
85.02914	3.7
86.09709	51.1
87.04467	1.8
91.05471	1.0
93.07062	2.7
95.08612	2.2
96.04487	0.7
97.02878	3.2
97.06556	0.7
98.98488	3.8
99.04433	0.6
104.10746	100.0
105.07059	0.6
105.11097	0.7
107.08588	1.9
109.01375	0.6
109.10157	0.7
115.03934	2.8
121.10143	1.4
125.00011	28.8
127.03937	0.9
131.08611	0.7
133.04951	2.5
133.10208	0.7
143.73239	0.6
144.46404	0.5
145.04991	0.8
145.09987	0.5
147.11787	0.7
149.13287	0.7
159.11636	0.7
163.01630	0.7
165.16418	0.5
184.07344	86.8
210.46600	0.5
258.11118	0.6
269.17542	0.7
434.22971	6.0
441.99908	0.5
452.24091	26.8
453.24265	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.5
55.01864	1.7
55.05502	2.5
59.04995	2.2
61.02913	1.1
63.84109	1.2
65.03951	1.4
67.05490	6.8
67.34145	1.2
68.60252	1.1
69.03426	7.8
69.07064	3.1
69.07417	1.3
69.90434	6.5
70.06587	1.4
71.04994	15.9
73.03006	1.0
79.05494	18.6
81.03429	5.1
81.07060	89.2
82.07365	1.8
82.11034	1.1
83.04976	7.4
85.02919	16.3
85.06570	1.9
85.99243	1.2
87.00822	5.4
91.05479	4.1
93.07047	8.2
95.04983	4.2
95.08604	6.5
97.02892	6.8
97.06579	1.4
99.04449	3.2
105.01869	6.7
105.07028	4.8
106.00666	1.2
106.06539	2.3
107.05003	1.5
107.08605	23.6
108.08115	6.6
109.02895	4.3
109.06500	2.9
109.10172	11.1
111.08087	2.1
118.52654	1.0
119.27441	1.2
121.02865	4.8
122.09733	1.2
123.08035	1.6
123.11726	15.1
124.07608	2.7
127.03918	12.1
133.10130	11.1
134.06026	2.8
136.07574	1.5
138.05495	1.7
139.03961	1.7
139.11209	3.1
145.04979	4.5
147.04480	1.5
151.11203	36.7
152.07060	8.8
153.01826	3.0
159.02911	3.3
169.12250	100.0
170.08157	4.4
187.13321	3.3
231.05054	3.0
255.15793	1.5
258.54770	1.3
287.05496	2.5
290.15860	1.6
332.13416	4.2
392.08304	2.7
434.14731	2.0
452.10257	2.7
452.15677	4.2
452.21997	1.3
453.17676	1.6
460.84653	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
57.07081	22.6
67.05508	5.9
69.07063	7.5
71.08634	15.3
81.07082	12.5
83.08632	4.8
85.10183	9.5
89.06042	3.4
91.05525	2.8
95.08607	7.8
98.20728	4.7
102.04066	1.9
105.03391	12.3
109.10178	4.4
111.11722	2.3
112.31387	2.0
123.11683	3.1
126.90535	2.1
128.06239	5.7
129.06999	5.8
131.08595	9.8
133.02869	4.2
141.06985	4.8
143.08592	4.2
144.05719	2.2
147.04414	2.3
153.07016	3.5
155.08592	4.2
157.06525	9.1
157.10164	2.3
159.04434	3.0
159.08086	10.7
162.77100	1.8
165.07175	2.0
166.07822	3.1
167.08516	2.8
171.08041	17.0
173.05920	3.8
179.08453	2.3
181.06505	3.8
181.10123	3.7
183.08171	2.2
185.09624	19.2
186.06821	2.6
187.07549	100.0
194.07346	2.2
195.08080	5.7
195.11813	2.7
197.09633	13.4
199.07509	13.1
209.09619	6.0
211.11186	8.3
213.09099	11.7
223.11147	10.6
225.09189	3.1
225.12801	7.0
226.09941	2.5
227.10695	10.5
229.07707	2.4
237.12752	4.8
241.12314	5.8
353.35620	2.1
376.86792	2.7
433.34766	3.1
451.35745	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	452.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.0
53.03934	3.1
55.01873	1.4
55.05498	1.0
57.03436	1.0
59.04983	1.5
61.02930	1.4
65.03939	4.4
67.05490	3.5
69.03434	6.3
69.59100	4.7
69.59509	1.8
73.02894	1.5
79.05502	7.6
80.05027	1.8
81.03423	9.6
81.05801	1.5
81.07043	4.6
83.04980	1.2
85.02907	13.4
87.00826	5.6
87.04462	1.5
89.43100	1.3
91.05464	2.9
92.05014	7.6
93.07049	6.9
93.58700	1.0
95.04964	5.5
96.08120	5.7
97.02891	7.2
98.20757	2.0
99.04443	2.5
105.01849	6.1
105.07024	3.9
106.06560	50.3
107.08604	14.3
108.08118	29.3
108.08717	0.8
109.02900	5.6
109.06506	1.3
109.10143	1.7
111.04449	2.1
121.02872	100.0
123.04427	1.5
123.06814	7.1
123.11699	2.6
124.04746	1.7
124.07599	31.4
127.03926	10.9
133.10143	11.6
134.06018	24.9
136.07571	7.2
139.03909	9.0
140.07050	1.7
145.04967	4.5
151.11186	17.7
152.07072	90.7
153.01811	3.3
153.07683	1.2
154.02075	1.3
159.02902	1.3
161.27303	1.0
169.12331	1.2
170.08128	60.8
171.08408	1.2
183.08612	1.1
226.08708	1.2
231.04944	2.2
249.06049	2.4
254.08025	1.3
265.07025	6.1
272.09116	1.3
283.08139	3.1
290.10376	1.8
291.50803	1.1
296.11160	2.2
314.12210	5.7
332.13251	2.2
416.13681	2.3
434.14508	15.7
452.15521	54.0
453.15695	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	450.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	11.2
57.03442	17.7
59.04991	1.6
61.02932	9.6
63.95132	1.3
65.03932	2.6
68.45250	1.5
69.03431	22.1
69.07053	1.3
70.06602	2.4
71.01349	6.1
71.04980	1.3
71.39729	2.5
72.08167	1.8
73.02924	28.3
79.01852	1.7
81.03414	4.5
84.04504	4.7
85.02914	45.6
86.09731	3.3
87.04475	2.8
91.03967	1.9
91.05437	3.1
95.04985	1.3
97.02899	29.5
98.06046	1.3
103.03957	3.2
104.10766	4.1
107.04946	3.0
109.02893	3.4
115.03935	13.7
116.01662	2.4
121.02876	77.6
121.10197	1.5
125.00052	1.7
127.03931	12.0
132.06624	1.7
133.04964	19.3
137.02348	4.7
139.03914	100.0
140.04205	1.7
143.03383	1.7
144.06602	3.7
145.04987	13.6
150.05521	3.5
150.07596	1.9
153.01823	17.5
153.02969	2.0
154.02199	8.2
156.06577	1.4
162.07660	1.5
163.06006	2.5
167.10661	1.5
173.91019	1.5
180.08701	1.7
184.07368	1.8
241.07098	3.4
259.11200	4.7
287.05542	2.2
288.05850	7.2
318.03317	3.4
360.95279	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07150	1.3
64.36103	1.3
67.62587	1.4
71.50098	2.1
71.50465	1.3
103.80184	1.2
112.89603	2.1
195.93864	1.2
269.33752	1.3
271.16534	1.4
290.59998	1.2
336.85626	1.4
451.04922	100.0
451.11407	4.7
452.05212	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	451.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29549	1.4
56.96552	6.3
59.34640	1.5
62.81483	1.7
69.03419	3.6
69.69580	7.0
69.69991	2.2
72.27799	1.8
73.02921	1.6
85.02896	5.6
94.95486	1.5
97.02902	3.5
98.20863	2.4
98.97591	13.3
101.00870	2.2
104.35542	1.8
106.44251	1.5
110.97566	3.7
112.99142	2.1
113.00820	2.0
119.01953	2.6
124.81068	1.5
127.03906	2.1
131.01962	2.2
131.05566	2.6
133.03461	2.8
145.04977	2.6
149.06624	2.1
155.01843	4.0
158.99649	4.3
159.05013	2.1
161.06657	5.2
169.04524	2.6
172.97525	1.8
173.02945	2.2
173.06613	4.0
185.06627	5.1
196.62924	1.7
197.06720	1.7
203.04063	2.9
203.07686	5.2
215.07648	7.3
219.01721	6.7
221.05165	2.3
237.02788	4.0
242.48105	1.6
245.05182	2.8
263.00806	1.9
286.97403	2.5
295.07040	3.6
305.10812	25.2
321.10364	2.3
431.88254	1.8
451.04849	100.0
452.05142	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	451.1238
Annotation	CHEBI:66214
Peak:m/z	Relative Intensity
50.44781	1.5
51.29768	1.3
67.05523	1.3
67.11069	1.4
70.51878	3.1
70.52229	2.7
81.03397	5.7
95.04971	8.7
112.95413	1.5
115.05486	1.5
116.79553	1.3
123.03579	2.8
123.04437	40.7
128.03049	1.4
133.02959	1.5
134.03606	2.2
135.04395	3.3
137.02345	100.0
141.07024	4.6
144.71504	1.3
149.02365	1.5
151.03903	5.0
156.53461	1.3
164.69893	1.7
168.07274	1.9
169.06503	16.4
179.03410	15.2
196.69252	1.3
197.05989	16.9
215.07045	92.0
225.05479	9.3
243.06546	58.8
271.06033	29.5
271.94711	1.6
287.05356	1.4
289.07080	66.3
290.07394	1.9
441.59183	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	451.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.0
53.50347	1.8
56.96561	2.2
69.03441	4.4
69.32484	17.2
70.06591	4.7
79.01818	3.4
81.03399	6.2
83.04995	3.1
85.02921	11.9
90.86150	1.9
97.02898	6.7
98.97598	3.5
109.02859	5.1
112.07609	7.9
116.07087	1.9
123.04433	4.2
127.03922	12.0
136.68869	1.7
137.02353	7.0
137.06003	2.4
139.03938	2.4
143.03384	4.0
143.74922	1.8
147.04446	2.3
153.01839	100.0
153.02853	3.7
158.08121	5.5
171.02873	7.8
179.03375	2.0
199.45552	2.2
215.07019	6.8
243.06602	4.6
252.16371	1.8
271.06235	1.9
289.07062	5.7
297.05930	2.7
303.01401	17.9
304.01660	5.1
315.07132	7.1
386.76105	1.9
410.05878	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	451.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01862	6.0
57.03433	7.0
57.25301	2.2
61.02921	5.5
67.05499	5.4
69.03442	17.6
69.07056	2.0
70.06563	2.8
71.01372	2.9
71.05007	2.2
71.50101	1.9
73.02930	10.0
79.05489	4.6
79.78869	1.8
81.03421	10.7
81.07053	7.2
84.08144	2.1
85.02913	86.0
87.00824	2.4
89.58211	1.9
91.03971	2.5
91.05482	2.6
93.07052	4.5
95.04990	4.3
97.02901	36.3
99.04444	4.1
103.03921	3.6
105.01872	2.4
106.06575	4.7
107.04946	4.2
107.08597	6.6
108.08135	11.9
109.02903	12.0
109.06512	3.6
115.03915	2.7
116.52196	1.8
121.02864	13.9
122.06049	5.0
123.04454	11.7
124.07586	3.3
125.05978	7.4
126.05505	4.0
127.03912	25.5
132.06575	3.9
133.04950	5.1
133.10123	4.5
134.06038	3.2
135.04393	6.0
136.07617	17.2
137.02330	4.1
137.05991	5.7
139.03882	7.4
140.07071	66.2
145.04982	30.3
147.67374	2.0
150.09065	2.7
151.03818	2.1
151.11194	4.6
152.07101	24.4
153.01854	9.7
153.02887	2.3
154.08615	4.7
163.03957	3.9
163.06073	18.8
164.07060	14.0
167.07066	15.3
170.08101	5.6
178.08624	13.9
179.07098	2.8
181.04990	2.5
182.08148	100.0
191.10919	2.2
206.06317	3.3
206.08156	45.3
215.07016	2.6
218.08162	4.1
225.07559	6.6
236.09123	5.2
243.06493	3.8
248.09230	11.0
266.10300	3.6
266.91165	2.2
271.10898	2.2
284.11292	8.2
289.06271	5.8
289.11923	6.8
289.15256	2.3
302.12433	12.2
436.50949	2.1
451.08240	7.6
452.15625	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	449.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.7
55.01862	4.2
55.05281	1.8
55.05515	26.3
57.03443	12.7
57.07068	3.7
64.50533	1.4
65.03928	5.3
65.66966	1.4
65.72794	1.3
67.05508	100.0
69.03423	1.8
69.07073	31.3
69.99635	1.3
70.06462	4.5
70.06867	3.3
71.01346	4.0
71.04980	6.6
71.05334	1.3
79.05498	79.1
81.03429	8.9
81.07062	86.6
83.04990	13.9
83.08617	16.4
85.02917	1.8
85.06539	6.5
91.05485	43.9
93.07048	91.3
94.07331	1.9
95.04965	11.0
95.08607	22.1
97.06535	19.1
97.10198	9.8
99.04457	1.9
99.08103	5.0
105.04461	3.2
105.07034	13.6
106.34155	1.5
107.05013	1.7
107.08600	49.5
109.06506	1.6
109.10144	6.4
111.08083	5.1
115.05457	1.6
117.07033	11.9
119.08575	8.1
121.06503	4.0
121.10143	18.4
123.08112	1.5
125.09615	2.5
129.07022	1.9
131.08566	11.7
133.10136	9.5
135.08006	2.2
135.11700	60.4
137.09634	2.6
143.08591	2.1
145.10132	10.9
147.11636	1.4
149.09621	1.7
149.13261	28.8
149.14395	2.1
153.12767	2.5
159.11716	11.0
163.11148	6.8
177.12750	6.2
181.12248	7.8
195.13831	10.1
199.13383	1.7
213.14755	2.0
252.94775	1.4
287.05594	9.1
312.98318	1.4
375.25266	1.6
431.27820	3.4
449.29034	70.6
450.29514	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09756	1.1
53.03946	8.9
55.01863	5.2
55.05269	1.9
55.05518	27.9
57.03444	10.6
57.07074	2.6
65.03944	3.8
67.05514	100.0
67.75906	1.1
69.06727	2.1
69.07074	29.8
69.16535	11.1
69.16955	2.7
71.01354	3.5
71.05000	7.6
76.44616	1.5
79.05502	80.4
81.03436	8.9
81.07066	88.2
83.04986	16.2
83.08630	14.3
85.06544	7.4
91.04918	2.1
91.05490	40.5
93.07054	92.4
95.04989	11.9
95.08614	23.8
97.06540	20.5
97.10185	9.7
99.04446	1.8
99.08095	4.5
105.04530	3.6
105.07043	15.2
107.04958	3.9
107.08607	55.5
108.08855	1.4
109.06503	5.2
109.10168	8.1
111.08112	6.6
115.56543	1.1
117.07017	13.7
119.08580	10.3
121.06512	3.7
121.10156	21.5
123.08072	2.2
123.11692	3.1
125.05980	1.2
125.09639	3.5
129.07019	3.1
130.07816	2.0
131.08586	11.5
133.10138	11.8
133.22636	1.3
135.08104	3.3
135.11705	58.1
136.12074	1.4
137.09615	2.6
139.07608	1.2
139.11200	1.5
145.10176	9.0
147.11697	3.1
149.09630	2.2
149.13272	26.6
151.11142	1.9
153.01875	2.2
153.12810	2.5
159.11729	11.9
163.11179	7.3
167.14256	1.6
171.11755	2.6
174.50836	1.3
177.12770	8.0
180.61548	1.2
181.12254	11.6
195.13820	11.6
199.13470	2.0
226.02132	1.1
232.09998	1.3
252.91693	1.2
269.17767	1.3
287.05554	10.3
299.82941	1.2
357.24261	3.9
431.28098	5.0
449.29041	76.9
450.29697	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	449.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.5
51.46707	1.1
53.03952	7.6
53.05250	1.1
55.01863	4.7
55.05513	26.3
57.03445	14.3
57.07071	4.4
61.24664	1.1
65.03934	3.6
67.05508	100.0
68.05820	1.5
69.03432	2.1
69.07073	30.2
71.01339	4.3
71.04992	5.3
77.03932	1.9
79.05499	78.3
81.03419	8.2
81.07060	86.3
82.07382	1.4
83.04992	16.3
83.08621	16.0
85.02897	1.9
85.06541	7.9
91.04913	1.5
91.05484	41.9
93.07050	96.3
95.04979	10.4
95.08616	24.8
97.06533	19.8
97.10162	8.7
99.04469	2.0
99.08091	6.0
105.04516	4.0
105.07030	11.6
107.04981	3.6
107.08604	52.8
109.06513	4.2
109.10193	6.9
109.52394	1.2
111.08107	7.3
113.09619	1.9
115.05441	1.7
117.07023	11.9
119.08582	10.7
121.06506	3.5
121.10149	19.3
123.11684	1.8
125.09624	2.1
129.07024	1.8
131.08594	8.1
132.38736	1.2
133.10136	13.0
133.30399	1.1
135.08038	3.1
135.11700	57.8
139.11171	2.1
143.08583	2.0
145.10127	10.7
147.11720	2.5
149.13274	34.0
151.11177	2.5
157.10109	2.4
159.11711	13.3
163.11151	8.9
177.12755	7.1
181.12230	11.5
195.13831	12.3
213.14885	2.2
219.06461	1.2
269.17429	1.6
287.05542	6.7
339.23233	1.6
357.24210	2.5
370.08228	1.2
375.55850	1.5
421.29941	1.2
431.28195	2.5
449.29001	67.2
450.29187	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	449.29
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	1.2
53.03944	6.9
55.01880	5.4
55.05275	1.5
55.05517	25.4
57.03449	12.4
57.07058	2.8
65.03940	3.4
67.05509	100.0
68.05814	1.3
69.03424	1.2
69.06732	2.2
69.07074	27.6
71.01343	5.1
71.04991	6.6
79.05499	69.5
81.03426	9.2
81.07061	88.6
83.04990	14.9
83.08621	12.5
85.02888	2.0
85.06561	7.6
91.05489	40.2
93.07050	88.4
95.04960	9.6
95.08609	21.2
97.05933	1.2
97.06531	18.7
97.10168	10.8
99.08099	3.4
105.04532	1.8
105.07050	10.9
107.04945	2.3
107.08604	47.9
109.06519	3.6
109.10159	7.2
110.23424	1.3
111.08078	5.7
117.07030	10.7
119.08566	9.2
120.08096	1.1
121.06541	2.3
121.10149	19.5
123.11784	1.7
125.09628	2.2
127.07588	1.4
129.07004	2.6
130.07771	1.9
131.08598	8.8
133.10150	12.2
135.08041	3.1
135.11702	46.1
135.12733	2.4
137.09633	1.9
139.11186	1.7
141.08961	1.2
143.08549	1.6
145.10156	9.6
147.11710	3.6
149.13272	34.2
151.09952	1.1
153.01840	2.2
153.12761	1.5
156.76733	1.2
159.11696	11.1
163.11162	6.6
171.11676	1.3
177.12782	5.8
181.12236	8.5
195.13852	10.3
213.14861	2.9
265.34982	1.2
287.05536	12.1
357.24207	1.5
431.28329	1.4
449.29050	64.2
450.29715	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60877	1.1
53.03937	6.7
55.01879	3.4
55.05517	27.4
55.93501	1.1
57.03442	13.9
57.07072	4.2
65.03936	5.5
67.05511	100.0
69.07073	28.9
70.68472	2.1
70.68798	1.3
71.01357	4.2
71.04992	7.9
79.05501	81.1
81.03439	6.9
81.07066	95.9
83.04996	12.6
83.08627	15.8
85.06553	7.2
91.05488	40.8
93.07051	94.0
93.07914	1.6
95.04971	10.9
95.08617	25.8
97.06543	18.8
97.10185	11.6
99.04487	1.7
99.08098	4.9
103.05482	1.2
105.04529	2.4
105.07036	13.5
107.04926	3.1
107.08603	56.2
109.06538	3.9
109.10162	10.1
111.08103	9.5
117.07030	10.8
119.06013	1.4
119.08609	9.8
121.06503	3.5
121.10160	20.6
123.11746	3.1
125.09659	3.3
129.06996	1.6
130.07849	2.3
131.08588	11.3
133.10129	12.1
133.39005	1.3
135.08089	2.0
135.11711	58.4
139.07515	1.7
139.11269	1.8
143.08588	1.9
145.10139	10.9
147.11684	4.0
149.09633	2.1
149.13271	31.7
149.14388	2.8
151.11137	2.2
153.01799	1.3
157.10132	1.7
159.11702	13.6
163.11186	7.0
171.11717	1.5
177.12756	7.6
181.10300	1.0
181.10873	1.4
181.12213	9.1
195.13780	11.7
207.13896	1.6
213.14819	1.7
287.05469	14.2
332.44916	1.5
339.23331	2.0
357.24258	3.7
375.25354	2.3
390.34808	1.6
431.27905	4.4
449.29056	66.3
450.29645	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	449.1081
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
51.44994	0.2
61.02917	0.3
64.53559	0.1
67.01855	0.6
68.99812	0.5
70.95837	0.3
85.02905	0.3
97.02921	0.2
115.18137	0.2
117.03391	0.4
121.02770	0.2
135.04398	1.9
137.02351	0.5
153.01842	6.0
161.02364	0.7
165.69862	0.2
179.03481	0.3
212.99524	0.2
213.05431	0.3
231.06445	0.3
241.04948	0.7
269.04468	0.6
287.05502	100.0
288.05856	2.7
294.96616	0.2
425.19885	0.2
432.09644	0.2
449.10880	0.2
451.05389	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.95721	0.3
52.62958	0.3
54.38532	0.4
55.94067	0.4
61.02916	0.6
68.99793	0.5
69.03439	0.6
71.04994	0.6
71.43002	0.6
73.02906	0.3
81.03407	0.6
85.02915	3.6
91.09715	0.4
97.02896	1.0
111.00812	0.6
121.02889	2.7
133.02798	0.6
137.02325	0.8
145.06439	0.4
147.04407	0.7
150.55342	0.4
153.01830	5.9
157.06410	0.5
163.03902	0.4
165.01788	1.8
182.82590	0.4
183.02861	0.8
185.06007	0.5
194.43802	0.4
203.41154	0.4
213.05501	1.4
231.06512	1.0
241.05022	0.8
258.05173	1.2
258.65039	0.3
259.06097	0.6
269.04327	0.4
287.05511	100.0
288.05826	2.4
303.05176	1.7
305.05460	0.4
423.34940	0.4
449.10919	0.6
459.37686	0.4
468.13779	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	6.5
68.99791	0.9
69.03431	0.6
69.40089	2.4
69.40505	1.0
71.45840	0.4
73.02943	0.8
81.03422	0.5
85.02914	5.9
89.17990	0.4
91.03948	3.6
97.02894	2.3
99.04469	0.5
104.76930	0.4
111.00803	0.9
121.02867	3.2
127.03909	0.7
137.02313	0.9
145.04910	0.5
153.01852	5.0
157.06503	0.8
165.01883	1.9
183.02876	0.6
185.05885	0.4
189.59972	0.4
213.05490	1.4
224.17567	0.4
231.06534	1.0
258.05307	1.1
269.04425	0.4
287.05524	100.0
288.05850	1.8
299.05560	1.3
329.06543	1.0
353.06390	0.7
413.01636	0.5
449.10904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
57.03420	0.9
61.02924	1.2
63.17138	0.6
68.99786	0.6
69.03431	3.0
71.04948	0.7
71.05250	0.7
81.03420	2.2
85.02911	8.4
97.02909	3.6
109.02909	1.1
111.00766	0.9
121.02875	2.4
127.03909	1.4
137.02324	0.8
145.04965	1.2
153.01842	4.4
157.06508	0.6
165.01866	1.4
183.03091	0.7
202.39798	0.6
213.05434	1.6
231.06474	0.8
241.05003	1.1
242.86385	0.6
249.46654	0.6
258.05292	1.2
287.05511	100.0
288.05939	1.7
462.48233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1082
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.75924	0.1
59.45131	0.2
61.02905	0.4
66.30415	0.2
67.01835	0.4
68.99768	0.6
69.03408	0.5
70.63464	0.4
70.63835	0.3
73.02886	0.7
81.03407	0.5
85.02912	1.4
97.02839	0.5
99.04406	0.2
100.64539	0.2
109.02863	0.2
111.00821	0.3
121.02824	0.6
127.03922	0.4
129.01704	0.2
132.93622	0.2
135.04384	1.8
137.02293	0.7
138.13165	0.2
153.01831	6.3
161.02328	0.5
162.47980	0.2
165.01817	0.2
171.02878	0.4
213.05455	0.7
241.04909	0.7
250.26045	0.2
259.05914	0.3
269.04501	0.4
286.04419	0.2
287.05493	100.0
288.05786	2.8
303.05038	0.4
321.05383	0.2
449.10806	15.1
450.11179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
52.55381	0.1
53.03929	0.1
55.01880	0.1
65.03934	0.2
66.92268	0.1
67.01868	0.2
68.99791	1.0
70.06591	0.1
71.27552	0.1
71.27881	0.1
71.96439	0.1
79.05492	0.2
81.03429	0.2
82.03631	0.1
85.02908	0.3
91.05466	0.2
97.02895	0.2
103.05477	0.1
105.03382	0.4
107.05000	0.5
109.02895	0.4
111.00814	1.0
111.04429	0.1
112.21330	0.1
115.05505	0.1
121.02875	3.7
124.24696	0.1
125.02323	0.1
127.03883	0.1
129.06995	0.1
130.35649	0.1
133.02863	0.6
135.04404	0.2
137.02342	1.2
141.06984	0.1
143.03369	0.1
145.06491	0.2
147.04433	0.8
150.05565	0.2
151.03931	0.1
153.01834	6.4
157.06496	0.5
161.02356	0.1
161.05960	0.2
161.85126	0.1
163.03941	0.1
165.01834	2.2
171.04420	0.3
175.03850	0.1
175.07590	0.1
183.02908	1.0
185.05843	0.6
189.05461	0.2
197.05992	0.2
201.05511	0.1
203.06993	0.2
213.05399	1.5
217.04926	0.1
229.04941	0.2
231.06491	0.9
241.04962	1.1
243.06487	0.2
258.05234	1.4
259.06052	0.5
269.04529	0.3
269.12866	0.2
287.05502	100.0
288.05826	2.3
299.05460	0.1
329.06793	0.1
449.10721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.05502	1.5
57.03447	10.1
59.05017	1.1
61.02935	5.6
61.54088	0.7
66.16139	0.7
68.99805	0.7
69.03440	2.6
69.18156	6.5
70.06605	1.1
71.05001	68.5
73.02930	3.5
75.04488	4.7
81.03426	1.3
83.04992	7.1
85.02914	100.0
86.03234	0.6
87.04491	2.0
91.03958	2.7
93.07073	0.8
97.02896	6.1
99.04450	1.9
101.06071	0.9
103.03965	1.2
105.07047	1.5
107.04935	0.9
109.02886	2.6
110.06100	0.9
111.04454	4.1
115.03919	1.1
121.02897	2.1
127.03929	5.8
129.05496	44.0
137.02368	1.5
145.04971	7.0
146.08136	1.6
147.06535	25.3
153.01828	4.9
163.06062	3.2
164.09236	6.4
165.01842	1.2
165.07571	0.7
182.29115	0.8
183.02913	1.4
213.05525	1.2
255.08751	1.8
273.09918	1.7
273.22711	0.9
287.05533	73.4
299.05444	1.3
303.04944	1.5
309.11896	1.1
328.05493	2.4
368.80490	0.9
449.10678	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16652	2.4
54.17092	2.4
55.05505	8.9
57.07061	6.5
58.07406	3.9
67.05498	3.1
69.07061	13.5
71.08615	11.1
72.08967	2.8
78.60286	2.3
83.08601	9.1
84.08939	2.8
85.10188	5.2
93.02979	2.3
93.07042	2.5
94.66348	1.8
97.10184	8.6
98.20774	4.3
109.10160	4.5
111.11726	4.9
114.15456	2.2
121.06529	12.7
136.08830	11.5
137.09625	14.1
139.07526	3.8
149.02348	8.4
150.02684	2.4
151.47150	2.4
164.08340	33.8
165.09128	100.0
166.09445	5.2
181.08490	3.4
205.12259	6.9
287.05219	3.3
355.67175	2.1
430.38083	68.1
431.38425	2.7
448.38889	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01865	0.7
57.02215	0.4
57.03424	1.0
61.02919	1.5
63.01600	0.4
68.99793	0.5
69.03423	3.4
69.61091	0.8
69.61497	1.9
81.03411	1.3
85.02911	8.7
97.02902	3.5
98.20717	0.4
99.04499	0.7
102.64333	0.4
105.03364	0.5
109.02891	1.1
111.00787	0.4
121.02847	3.3
127.03899	1.0
133.02870	0.4
137.02368	0.7
145.04964	1.3
145.06425	0.4
147.04422	0.6
153.01842	5.0
165.01819	2.0
183.02878	1.1
185.06001	0.9
213.05501	1.4
230.73093	0.4
231.06540	0.8
241.04868	0.5
258.05304	1.6
287.05511	100.0
288.05859	2.8
297.33963	0.4
363.69727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
50.57721	0.4
57.03436	0.5
61.02663	0.5
61.02930	5.7
68.99773	1.1
69.36252	1.5
69.36680	2.1
73.02902	1.5
85.02904	5.7
85.56405	0.5
91.03968	3.2
94.37157	0.4
97.02910	2.9
107.04948	0.7
109.02903	0.7
111.00790	1.8
117.98859	0.5
121.02885	3.3
127.06216	0.4
133.02803	0.9
137.02315	1.2
153.01846	4.7
157.06544	0.7
165.01837	1.7
183.02850	1.0
185.05917	0.7
213.05473	1.6
241.05035	1.4
258.05234	1.1
259.06082	0.6
287.05511	100.0
288.05804	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	447.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
55.01870	7.6
55.05514	38.0
57.03443	19.9
61.02925	2.9
65.03942	3.9
67.05510	83.8
69.03426	4.9
69.07072	20.4
70.68611	4.2
70.68941	3.8
71.01330	4.1
71.04998	5.3
73.02921	3.1
79.05502	76.8
81.03422	100.0
81.07062	49.9
83.04962	11.7
83.08623	27.6
83.38377	2.1
85.06532	4.2
91.03979	2.3
91.05488	65.6
93.07048	66.5
95.04966	44.9
95.08607	24.4
97.02880	2.8
97.06541	10.7
97.10178	19.3
98.21069	3.3
103.05480	2.9
105.07037	41.0
107.04980	18.7
107.05595	3.6
107.08608	35.2
109.06538	8.3
109.10152	12.2
111.04455	2.6
111.08092	12.4
115.05460	3.7
117.07024	26.1
119.04907	4.0
119.08591	29.9
120.02122	2.3
121.06519	14.7
121.10140	14.5
123.04485	2.6
123.08085	5.8
125.09633	11.9
128.06215	4.9
129.07005	22.6
131.04881	4.4
131.08572	21.5
133.06487	9.4
133.10153	14.6
135.08054	7.0
135.11694	49.1
137.09645	7.7
141.06978	6.7
142.07738	5.0
143.08594	9.8
145.06494	13.0
145.10133	19.4
147.08043	6.4
147.11697	8.5
149.02271	4.3
149.09624	11.0
153.09111	3.4
155.08598	5.2
157.06544	2.8
157.10121	17.0
159.08038	4.9
159.11667	4.2
161.09622	3.2
163.11185	14.8
167.08624	3.0
169.10167	4.2
171.08069	2.8
171.11713	4.9
175.11212	13.9
177.12704	3.0
181.12257	5.6
183.11737	5.5
185.09697	3.9
185.13312	7.8
187.11192	5.2
189.11218	6.2
193.12265	36.6
195.11653	2.4
201.12752	5.0
203.14349	7.6
205.12292	3.6
209.13351	2.7
211.11307	3.6
211.13226	5.8
213.12843	2.2
219.13824	3.4
219.29091	2.6
225.12773	3.9
227.12700	4.0
231.14012	2.6
239.14484	2.7
243.13707	2.9
249.14900	7.6
319.20963	3.6
327.23438	3.6
329.21228	5.4
337.21658	8.0
355.22775	27.1
355.72827	2.4
373.23755	7.4
403.24948	7.9
429.26263	22.0
430.11499	3.0
447.27438	97.7
448.27286	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	448.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
56.05033	1.6
60.05626	1.0
69.03441	1.5
70.06595	1.6
72.08134	0.6
79.01848	1.4
79.05482	1.3
81.03414	2.1
83.06107	1.8
84.04573	0.9
84.08145	1.5
84.71207	0.6
85.02894	2.8
86.09720	1.2
87.04451	0.8
91.05481	1.6
95.06084	0.9
97.02905	1.4
102.78856	0.7
104.04987	1.0
105.03411	2.3
105.05901	0.7
106.06549	10.5
109.02868	1.3
111.05576	7.0
113.07127	0.9
118.06525	3.2
120.04475	14.4
121.02908	1.5
123.05554	1.5
124.64690	0.7
126.06634	12.7
127.03949	1.1
127.07418	0.8
130.05006	0.6
130.06580	1.0
132.03462	1.4
132.04457	23.0
132.08087	1.3
133.05177	0.7
134.06021	9.7
137.02332	1.1
137.04678	2.7
140.08189	1.4
143.03459	0.8
146.02382	1.1
151.06155	9.8
153.01836	21.0
153.02919	1.4
154.08633	1.4
158.06013	0.8
165.09105	0.8
168.08867	3.3
174.08043	0.7
202.09753	15.2
203.54692	0.7
216.11348	2.7
230.09248	9.7
231.12453	1.4
232.10783	4.6
237.02866	0.7
242.09265	3.9
243.06079	0.8
250.10803	0.9
257.10403	5.7
259.11911	81.7
260.12131	1.4
270.05280	2.2
271.05606	4.2
277.12900	3.8
278.03723	0.8
284.11407	5.8
285.07648	7.4
286.07935	19.0
287.05472	10.8
301.14059	9.4
302.12482	32.2
303.13092	0.9
304.01675	0.7
319.15186	2.8
360.16504	0.7
368.56693	0.7
406.17200	13.3
406.22412	1.0
413.15640	1.1
430.18369	2.0
431.16693	1.1
448.19421	100.0
449.19907	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	447.3836
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
51.52945	2.3
55.05267	3.2
55.05513	38.4
57.06795	2.9
57.07077	59.6
64.54630	2.4
67.05499	8.0
69.07069	78.5
71.08634	46.9
71.16632	5.2
79.05479	6.0
81.07060	18.6
83.08157	3.7
83.08622	59.8
85.10186	27.3
91.05486	7.0
93.07024	8.4
95.04980	3.0
95.08613	10.6
97.10168	46.7
99.11729	3.7
103.53761	2.2
105.07008	3.7
107.08588	14.5
109.10143	10.0
111.08098	3.0
111.11724	39.6
112.12001	3.1
119.08580	6.5
121.06504	4.7
121.10122	5.4
123.08070	5.7
123.11679	3.6
125.13274	15.8
126.03058	2.7
131.08542	3.0
135.08087	24.9
135.11708	3.0
137.09598	12.9
138.06752	9.5
139.07535	26.1
139.14830	4.3
140.07823	3.3
145.10245	2.5
147.54176	2.5
149.02390	5.6
149.09612	9.7
151.07558	14.6
153.09088	12.1
159.11760	2.2
163.07535	9.6
163.11153	8.2
165.09117	100.0
169.08571	5.9
173.13255	3.6
175.12625	2.4
177.09099	12.3
179.10730	4.3
181.08601	29.6
191.10670	11.0
203.14328	2.2
205.12210	11.1
219.13802	4.1
263.44107	2.4
270.47989	2.4
318.48853	2.4
403.98328	2.3
413.61459	2.6
429.31903	3.3
429.37335	41.9
447.38358	73.1
455.30667	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	448.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.03918	0.6
56.05030	1.2
57.03442	5.0
58.99572	0.5
70.06571	0.6
71.11877	1.3
74.02462	0.6
76.03990	1.0
76.14881	0.7
79.01857	6.8
79.05477	2.0
80.05019	2.8
81.03419	2.1
81.07046	0.7
82.05314	0.8
82.06570	1.3
82.99581	2.3
83.06123	2.7
84.04508	20.1
84.08152	0.8
84.97501	1.1
85.01135	1.6
85.02881	0.9
86.00668	0.7
89.00628	0.7
91.05477	0.7
94.06551	1.9
95.04984	0.7
97.01120	2.7
97.02898	1.8
99.02693	0.9
99.05545	0.8
104.04984	1.4
105.05774	1.1
106.06592	1.3
107.01322	1.2
107.06080	1.2
107.07350	1.9
108.04498	1.2
108.08126	1.0
109.02917	1.1
109.07660	2.9
110.06049	1.0
110.99062	0.8
111.02671	6.1
112.02204	1.1
117.00081	1.9
123.02670	3.5
124.02190	5.5
124.07591	0.8
125.00545	0.8
125.02333	2.8
126.05490	1.0
127.02168	0.7
127.03868	0.7
129.06606	2.3
130.05032	3.0
131.04871	0.6
133.05251	1.3
136.03917	0.8
138.03738	18.0
138.90475	0.6
138.98505	1.5
139.02159	3.5
140.01633	1.1
140.05295	6.4
141.00064	2.0
141.03705	0.9
142.03232	1.4
143.03456	6.1
144.99515	1.3
145.06116	1.2
150.03720	1.4
151.06255	0.5
153.01842	100.0
153.02908	5.9
153.06615	2.2
154.08678	1.4
155.08168	2.1
156.04779	2.2
157.03221	4.9
166.03232	49.9
167.01633	8.9
168.04805	9.8
171.04752	1.5
173.02725	2.8
181.06125	1.1
181.49461	0.7
182.06371	1.9
184.04253	6.1
194.02730	7.1
195.01135	1.1
198.05870	6.1
199.04193	4.9
199.07161	1.6
212.03854	3.5
216.06908	5.3
222.05946	0.7
223.05339	15.9
223.07236	2.8
237.04047	0.8
241.06458	2.5
243.55746	0.6
244.06410	0.6
245.05914	2.4
250.05338	5.1
255.08041	0.7
257.07626	1.1
260.02902	0.8
269.05914	56.1
277.03467	0.7
278.04327	1.2
283.07504	10.5
287.07281	3.7
295.07559	1.3
301.08542	45.9
304.01941	0.9
327.09991	0.8
328.46942	0.7
332.42407	0.6
333.57227	0.6
341.08026	2.7
353.08160	1.9
367.50180	0.7
373.10629	17.2
399.08432	0.8
416.11267	0.8
448.13889	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	447.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96071	2.0
51.02373	2.5
53.03950	10.9
55.01863	5.7
55.05513	30.0
56.91612	1.8
57.03445	11.5
63.72575	1.6
65.03934	2.6
67.05511	62.0
69.03421	6.0
69.07067	14.7
71.01367	2.9
71.04994	5.6
77.03947	2.4
79.05497	63.3
81.03423	84.5
81.07058	43.8
83.04980	12.5
83.08632	21.5
85.02913	3.3
85.06562	2.6
87.10058	1.8
91.05484	48.1
93.06475	3.8
93.07047	54.7
95.04976	41.2
95.08623	16.1
97.02859	2.6
97.05985	1.8
97.06528	10.0
97.10175	15.0
97.36440	1.6
98.91436	2.0
103.05512	2.6
105.04528	2.9
105.07039	27.9
107.04955	14.4
107.08605	34.6
109.06532	5.6
109.10177	7.6
111.04456	2.2
111.08067	6.4
115.05483	3.8
117.07027	13.6
119.04953	3.0
119.08595	20.5
119.56495	1.9
121.06505	10.7
121.10168	13.1
123.08042	3.9
125.09666	10.5
128.06194	2.8
129.07013	17.2
131.04968	3.1
131.08575	15.6
133.06490	7.2
133.10167	11.7
135.08084	4.9
135.11708	37.6
137.09618	4.1
141.07054	4.5
142.07779	2.2
143.08588	9.5
145.06470	11.0
145.10167	14.7
147.08046	6.8
147.11703	6.1
149.09653	6.5
155.08589	4.2
157.06563	2.6
157.10130	8.9
159.08049	2.8
159.11740	4.4
161.09610	3.2
161.13179	2.0
162.94994	1.9
163.11201	13.1
165.12726	3.4
167.08717	1.8
169.10155	4.4
171.08049	4.5
171.11682	2.7
173.13280	2.4
175.11243	11.6
181.10114	2.8
181.12260	6.7
183.11736	3.5
185.13297	8.5
187.11221	2.5
189.11217	4.7
189.12784	2.6
193.12250	34.2
201.12842	2.4
203.10793	1.9
203.14377	5.1
205.12305	4.2
215.08083	1.8
231.13751	3.1
233.59151	1.9
243.13924	3.1
249.14871	5.9
259.16504	2.1
264.87906	1.9
267.15881	2.4
275.16266	2.0
309.22012	3.4
329.21176	7.1
337.21570	7.4
347.22086	2.5
355.22696	27.4
373.23703	7.8
403.24835	6.4
429.26358	12.7
447.27460	100.0
448.28134	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	447.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01867	5.8
55.05516	23.5
57.03437	11.5
57.07064	2.2
60.14736	1.5
65.03925	3.3
67.05508	65.5
69.03436	3.1
69.07079	16.1
69.34344	1.6
70.25901	5.9
71.01337	4.1
71.04980	3.8
73.19743	1.5
79.05498	55.0
81.03422	100.0
81.07059	35.0
83.04981	12.0
83.08633	20.7
85.02898	4.3
85.06540	4.0
91.05489	51.3
93.06480	3.4
93.07047	51.5
95.04975	39.1
95.08623	16.1
97.02918	2.3
97.06541	10.8
97.10181	15.5
98.20856	2.4
98.21410	2.5
103.05489	1.8
105.07037	29.5
107.04951	13.6
107.08605	29.8
109.06539	4.5
109.10172	9.0
111.04502	1.9
111.08098	10.0
115.05431	2.1
115.22952	1.6
117.07039	12.1
119.04912	1.8
119.08605	21.8
121.06517	10.6
121.10146	12.6
123.08046	3.3
125.09636	6.5
128.06232	2.2
129.07002	17.3
131.08591	14.2
133.06485	6.0
133.10117	8.8
135.08061	5.3
135.11699	42.9
137.09673	2.9
142.07809	3.4
143.08557	5.8
145.06519	7.4
145.10135	15.3
147.08031	6.4
147.11713	5.5
149.02304	2.2
149.09621	7.5
155.08545	4.9
157.10126	10.5
159.08102	2.0
159.11685	3.3
161.09613	3.5
163.11218	9.6
169.10143	3.1
175.11203	15.8
181.12244	5.1
185.09656	2.0
185.13300	3.8
187.11098	2.6
189.11214	2.6
193.12251	36.7
203.14272	2.8
205.12204	2.6
205.83855	1.7
225.12816	2.4
227.59706	2.1
243.13951	2.5
249.14876	5.0
267.15833	2.2
329.21158	8.2
337.21689	5.7
347.22086	2.5
355.22739	15.8
373.23865	9.2
403.24799	7.3
422.76511	2.1
429.26187	10.0
447.27432	95.9
448.27994	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	447.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.8
55.01881	10.0
55.05516	34.5
55.05764	4.3
57.03441	16.0
57.07073	1.9
65.03926	3.6
67.05506	75.8
69.03423	5.5
69.07071	17.8
69.38491	14.6
71.01358	3.1
71.04989	7.4
72.30996	2.0
74.94727	2.0
77.03933	3.0
79.05492	68.7
81.03420	85.3
81.07059	46.2
83.04976	17.2
83.08617	23.2
88.16905	1.9
91.05480	62.3
93.07045	58.6
95.04370	3.4
95.04969	49.5
95.08603	18.6
97.02895	4.7
97.06523	12.4
97.10179	19.4
99.08073	2.4
103.05447	5.1
105.04527	2.1
105.07030	39.1
107.04957	17.8
107.08595	35.9
109.06510	9.3
109.10158	12.4
111.04418	3.1
111.08090	8.0
115.05445	5.8
117.07029	16.2
119.04937	3.1
119.08595	27.0
121.06530	12.7
121.10141	14.7
123.08079	5.0
125.09628	8.8
128.06223	3.9
129.06992	17.6
130.07741	2.7
131.03729	2.1
131.04913	3.7
131.08572	18.3
133.06488	7.6
133.10132	16.2
135.08069	8.3
135.11693	46.3
137.09610	4.3
141.07005	5.1
142.07742	3.9
143.08589	8.5
143.10747	2.3
145.06482	10.5
145.10126	19.7
147.08060	7.8
147.11700	10.8
149.09624	7.3
152.82425	2.1
155.08597	5.0
157.10095	16.8
159.08076	4.5
159.11710	4.5
161.09677	3.0
163.11183	12.4
165.12766	2.2
167.08586	3.1
169.10168	4.8
171.11742	3.7
175.11179	12.2
181.12257	7.4
183.11732	5.6
185.13297	8.1
187.11195	5.8
189.09062	2.1
189.11246	8.6
193.12260	31.4
197.13371	2.7
201.12724	3.2
203.14369	7.2
204.58675	2.0
205.12238	3.2
208.67053	2.0
211.11194	3.0
223.13278	2.5
225.12785	2.8
249.14771	3.6
257.15442	4.1
259.17255	2.6
267.15845	2.0
327.23221	4.9
329.21185	5.9
337.21701	10.8
355.22729	23.4
356.18497	2.3
373.23758	11.8
403.24799	5.6
429.26208	18.5
447.27448	100.0
448.27753	5.5
470.79434	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	9.2
55.01866	8.7
55.05518	31.0
57.03454	13.6
61.02930	3.4
65.03936	4.6
67.05506	65.5
67.62601	2.4
69.03421	3.6
69.07070	14.3
69.20795	2.7
71.01369	3.9
71.04993	7.3
79.05499	75.7
81.03419	80.4
81.07059	52.7
83.04978	17.1
83.08627	22.8
85.02914	3.0
85.06526	4.3
91.04903	3.5
91.05481	61.1
93.06489	4.4
93.07047	66.3
95.04972	36.3
95.08625	19.7
97.06523	10.9
97.10168	18.3
98.21545	5.4
99.04484	2.5
99.08075	3.4
105.04524	2.8
105.07035	39.3
107.04958	14.8
107.08591	32.0
109.06501	9.3
109.10156	7.8
111.04433	4.0
111.08064	8.0
115.05450	6.5
117.07043	18.2
119.04925	5.6
119.08592	24.4
121.06509	15.6
121.10144	11.2
123.08076	5.8
125.09630	10.8
129.07011	21.2
130.07764	3.5
131.04964	4.6
131.06136	2.7
131.08562	20.2
133.06454	11.4
133.10136	14.0
135.08022	7.1
135.11711	37.9
137.09599	5.6
141.06981	6.4
142.07751	3.0
143.08537	12.1
143.52390	2.4
145.06497	16.5
145.10133	20.5
147.08055	9.3
147.11673	6.0
149.02361	3.3
149.09612	8.9
155.08569	7.5
157.10152	15.9
159.07996	6.4
159.11600	3.3
161.09639	4.5
163.11176	13.1
169.10121	4.3
171.11690	5.2
175.11163	7.2
177.12683	3.3
183.11754	4.7
185.13242	7.6
187.11209	3.4
189.11186	9.4
193.12253	29.3
201.12640	3.0
203.14317	7.3
227.12682	2.7
231.13594	3.1
249.14766	5.2
261.14954	3.2
329.21042	4.6
337.21436	12.6
355.22702	25.7
367.17877	4.7
373.23572	7.9
403.24991	8.2
426.99753	2.7
429.26227	17.3
447.27350	100.0
448.28122	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	446.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87386	0.7
55.05509	2.2
57.07072	1.6
67.05495	3.1
69.07063	4.1
69.85993	4.0
81.07060	3.4
83.08616	1.6
87.48971	0.7
91.05471	0.9
93.07029	1.0
95.08617	2.2
97.10175	1.3
105.07033	1.3
109.10176	4.9
111.75500	0.7
119.08601	3.6
121.06518	11.0
122.07298	1.5
135.08078	1.2
136.07843	1.7
136.08832	15.6
137.09628	13.5
139.07607	1.0
152.08250	1.2
159.11720	0.9
164.08348	33.5
165.09128	100.0
166.09541	3.1
177.09145	2.3
178.10004	0.8
189.09169	1.3
191.10675	1.5
203.10709	1.5
205.12242	8.1
211.40456	0.8
245.15427	0.9
293.03070	0.8
387.15405	1.3
403.19302	1.1
416.15652	1.0
417.16553	1.7
419.22568	1.0
428.36545	69.3
429.37036	2.7
431.18536	3.0
445.20044	1.0
446.20901	17.5
446.37592	25.5
447.37967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2507
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
50.75053	0.9
53.03952	1.7
55.01639	1.4
55.01880	17.6
55.05515	40.1
57.03443	54.5
57.07080	13.1
67.05511	14.4
69.07073	41.4
70.06572	1.1
71.08643	8.5
73.02914	1.1
79.05498	11.0
81.07058	16.2
83.04992	1.7
83.08627	32.2
85.10168	2.8
91.05483	3.5
93.07036	9.3
95.04940	1.6
95.08617	10.2
97.06529	2.9
97.10175	20.4
98.98473	79.7
101.08078	0.9
105.07021	2.0
107.08590	5.0
109.10153	4.0
111.04359	0.9
111.08091	2.2
111.11717	4.2
112.05807	0.9
121.10160	8.2
123.11678	1.7
125.00024	1.1
125.09564	1.1
129.05472	1.7
131.08559	1.3
133.10147	1.3
135.11714	8.1
137.00003	81.8
137.13255	2.6
149.02419	1.5
149.13243	2.7
155.01054	55.4
163.14856	1.0
178.66447	1.0
193.02647	14.1
211.03639	9.5
213.49814	1.0
219.21159	1.4
221.29338	1.0
237.22127	15.7
265.04788	1.2
287.73795	1.0
293.24664	1.7
311.25818	59.1
312.26080	1.8
385.38892	2.1
389.86588	0.9
441.05597	1.1
445.96390	1.3
446.41937	1.2
447.25089	100.0
447.42264	3.9
448.25110	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.01877	19.7
55.05515	59.1
55.98109	3.3
57.03441	70.1
57.07070	19.0
58.57238	3.2
59.01825	4.8
65.03937	3.5
65.90406	3.5
67.05509	64.5
69.07079	57.0
71.05009	4.8
71.08649	7.0
79.05501	36.7
81.03435	7.8
81.07057	72.8
83.04989	6.1
83.08621	47.9
85.06596	3.3
91.05472	32.1
93.07045	47.6
93.66964	3.3
95.04978	8.0
95.08614	46.5
97.06556	8.0
97.10184	31.4
98.98470	81.3
105.07045	20.7
107.08620	30.3
109.10146	18.8
111.08106	4.1
112.99239	5.1
113.00027	81.6
117.07033	6.9
119.08598	11.6
121.10130	23.1
123.11716	7.4
129.07013	5.4
131.08612	12.8
133.10135	11.3
135.11705	19.5
136.99992	88.7
145.10130	8.4
147.11702	8.3
149.02335	4.4
149.13283	6.0
155.01039	65.2
159.11699	5.5
169.02605	12.6
173.13283	4.0
187.03676	8.7
193.02658	14.9
193.12161	3.7
211.03697	8.9
237.22185	15.0
243.21069	8.6
261.22073	20.0
267.67456	4.3
304.41089	4.2
311.25809	63.2
317.24838	6.9
335.25867	70.4
429.26050	5.2
447.25098	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	445.368
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
53.03940	8.4
55.01863	4.6
55.05521	29.4
57.07080	48.1
67.05518	33.8
69.07076	72.6
71.05001	3.9
71.08636	42.0
71.15166	3.8
71.51918	6.2
79.05508	27.3
81.03426	8.1
81.07065	94.3
81.07531	8.3
83.08630	34.3
85.09733	4.0
85.10184	22.4
91.05482	28.8
93.07048	48.0
95.04980	5.3
95.08614	100.0
96.08907	3.7
97.02911	4.9
97.10172	25.1
99.04479	3.9
105.07037	77.3
107.08603	72.8
109.06567	6.4
109.10168	64.4
111.08132	5.1
111.11708	16.7
117.07033	14.1
119.08578	51.7
121.10152	51.4
123.08046	4.5
123.11729	31.0
125.13300	4.8
129.05453	4.1
129.07013	6.4
131.08588	45.8
133.10135	47.5
135.08110	6.2
135.11697	31.9
137.05960	7.8
137.13258	16.4
139.07547	7.1
143.08578	15.8
145.10147	43.3
147.11694	49.0
149.09586	5.3
149.13303	21.9
151.07559	8.6
151.14867	7.6
155.07034	15.7
157.10156	17.8
159.11708	32.3
161.09666	5.8
161.13272	19.3
163.11139	5.2
163.14824	16.8
165.09157	26.1
165.16408	4.1
169.10121	4.5
171.11659	11.3
173.04514	5.9
173.09634	6.6
173.13268	17.6
175.11183	6.2
175.14845	14.2
177.09053	8.3
177.16380	4.1
179.10652	8.5
181.12184	4.2
185.13208	12.7
187.14859	13.5
189.16429	12.1
191.10617	19.3
193.12256	8.3
195.11493	4.3
199.14824	7.5
201.16406	13.1
203.17929	10.4
205.12277	8.8
206.61301	3.9
207.13831	4.2
209.11635	5.0
213.16365	7.4
217.19604	4.2
219.13838	11.0
221.15443	4.5
227.14552	4.9
227.18021	7.2
231.21054	6.5
233.15422	10.9
233.22694	7.1
241.19615	4.6
245.15498	5.5
245.22589	6.1
247.16998	8.0
247.24185	11.6
259.16986	4.9
261.25708	9.7
273.18552	9.3
273.25821	5.3
287.20026	12.7
291.19577	4.4
305.21280	6.5
329.24634	5.7
341.32098	15.4
343.33652	30.1
356.60706	4.2
367.33557	9.4
385.34775	8.8
409.34665	7.1
427.35791	67.1
428.36249	4.2
445.20105	34.3
445.36966	98.8
446.20453	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	446.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10876	1.2
51.91708	1.1
56.96556	5.3
58.61020	1.2
62.20478	1.4
69.03423	3.7
70.06593	3.3
70.53542	1.1
71.50510	2.0
72.08167	2.9
73.04739	4.3
81.03399	2.6
84.01279	1.4
84.04500	1.3
84.08133	3.0
85.02915	6.0
86.06049	1.4
86.09689	3.4
89.10175	1.2
91.05840	6.0
93.07046	1.7
97.02875	4.7
98.97581	7.4
99.04398	1.2
99.90681	1.2
103.05479	6.9
109.02872	1.5
110.97552	1.9
116.77062	1.4
116.98631	3.5
117.89630	1.3
118.52911	1.1
120.08115	100.0
127.03896	2.4
128.98582	2.0
131.04958	4.0
136.06177	5.0
138.05461	2.4
147.04414	3.6
149.04517	1.5
153.01794	7.3
163.03912	1.9
166.08650	51.7
167.05583	3.6
212.23103	1.2
219.01785	2.9
237.02831	3.9
242.56262	1.2
275.01865	2.5
277.03412	2.0
303.01227	5.6
359.02682	1.8
360.02896	5.5
446.17352	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	0.4
57.05850	0.3
58.06604	0.6
59.79771	0.4
60.04536	2.6
60.09935	0.4
69.03426	0.7
69.07070	3.5
69.22202	3.6
70.06596	0.8
72.08154	0.8
73.04763	0.6
74.02439	2.2
84.04510	0.8
86.06081	0.6
86.09709	100.0
87.05595	6.1
87.10058	0.7
88.03980	0.8
91.05462	0.4
94.06585	0.5
97.02966	0.4
98.20773	0.6
114.09070	0.4
116.03439	0.7
122.06051	0.7
128.10750	1.8
129.11168	0.4
129.82280	0.4
133.06094	24.3
137.08385	2.1
138.05536	0.8
138.08791	1.5
140.98189	0.4
145.07635	0.5
150.05534	1.5
155.11742	1.0
170.06360	6.9
171.06725	4.8
173.12875	17.3
177.05421	0.4
183.11337	3.6
196.07948	0.8
197.08377	0.5
201.12352	10.5
224.07487	0.4
225.07776	0.9
229.11844	3.6
246.14514	19.8
296.19711	10.5
298.14240	0.4
306.50461	0.4
314.20856	1.1
315.16794	0.5
316.15219	0.8
333.17624	3.7
428.24957	0.7
446.15079	0.4
446.25909	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47371	1.8
53.03943	2.6
55.01863	9.3
55.05273	2.7
55.05519	36.2
57.06834	2.5
57.07082	38.1
62.27174	2.3
64.80076	2.0
67.05511	16.1
69.07076	61.5
69.29915	1.9
70.20900	1.9
71.08638	25.2
71.28488	2.4
71.28804	3.5
79.05479	11.4
81.06606	2.8
81.07066	51.7
83.04988	5.0
83.08628	47.0
85.10188	12.5
91.05460	7.5
93.07058	32.5
95.08618	46.0
97.06525	7.8
97.10172	31.3
99.11709	2.8
105.07003	3.4
107.08604	23.2
109.06525	2.5
109.10164	22.5
111.08082	9.2
111.11730	24.2
113.13351	2.5
119.08562	2.9
121.06493	6.4
121.10143	18.8
123.08064	4.8
123.11718	11.6
124.05209	5.1
125.13264	9.3
131.08589	2.8
135.11694	13.7
137.05986	9.4
137.09653	2.7
137.13251	4.1
139.07561	100.0
139.08641	5.1
147.11732	3.0
149.09682	4.2
149.13268	13.6
151.07574	7.9
157.10062	2.2
161.09590	3.1
163.14835	18.1
165.05522	15.7
165.09126	18.8
167.07088	2.6
167.14407	3.1
175.11104	3.0
175.33925	2.9
177.09135	3.4
177.16347	4.5
179.10660	2.3
181.08615	3.8
181.15843	2.3
189.12721	3.9
193.08626	20.3
203.10683	7.1
217.12273	4.1
219.13817	2.7
221.11725	5.8
231.13786	5.1
233.22728	4.2
235.13318	3.7
283.20386	2.2
289.28925	18.7
305.21365	2.8
307.29947	30.7
417.37308	6.0
427.35669	4.9
445.36777	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	3.1
55.01872	9.0
55.05515	34.1
57.07080	45.4
59.74685	3.0
60.02988	3.5
67.05502	19.2
69.07069	70.5
70.63796	6.9
70.64150	7.2
71.08637	30.4
79.05489	18.5
81.07057	60.1
83.04987	5.3
83.08626	52.9
85.10181	11.5
91.05465	8.4
93.07047	27.9
95.04950	3.4
95.08608	49.0
97.06538	7.0
97.10182	32.1
105.07005	3.4
107.08610	31.0
109.06507	5.0
109.10168	24.8
111.08090	14.3
111.11712	20.1
119.08610	3.3
121.06516	6.2
121.10150	18.0
123.08050	8.5
123.11717	9.1
124.05210	3.9
125.13284	5.5
131.08614	3.9
135.11684	14.6
137.05984	10.6
137.13271	4.3
139.07550	100.0
139.14729	3.6
140.07924	3.3
149.09601	6.3
149.13295	12.9
151.07523	11.6
151.14838	3.3
163.14836	14.5
164.07077	4.1
165.05478	15.0
165.09148	21.5
175.11243	5.7
177.09154	7.0
189.09108	4.2
193.08621	20.2
195.10188	3.7
203.10721	8.1
217.12311	3.7
221.11876	5.5
231.13760	4.2
243.78329	3.7
289.29013	19.3
307.29968	25.6
417.37277	4.4
427.35706	10.2
445.36676	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01859	8.1
55.05269	3.1
55.05511	41.7
57.07078	41.9
67.05512	23.7
69.03400	2.9
69.07071	75.4
70.18406	5.7
70.18813	3.7
71.04969	2.2
71.08633	29.8
73.04729	4.5
79.05498	18.3
81.07061	72.8
83.04958	5.4
83.08160	3.2
83.08622	50.9
85.06509	2.3
85.10172	13.7
87.04407	2.4
91.05432	10.0
93.07048	36.8
95.08610	53.4
97.06500	7.8
97.10178	35.4
98.20823	2.2
105.07021	4.9
107.08604	26.8
109.06513	6.2
109.10165	25.4
111.08109	14.7
111.11730	22.8
112.97101	2.1
119.08566	7.2
121.06493	8.2
121.10172	16.4
123.08056	8.9
123.11706	15.0
124.05170	5.7
125.09634	2.7
125.13249	6.4
133.10141	5.3
135.08034	4.0
135.11716	12.3
137.05959	11.2
137.09619	8.2
137.13240	4.5
139.07539	100.0
145.09998	2.1
147.11615	4.3
149.09612	6.4
149.13258	18.1
149.39331	2.1
151.07573	10.6
151.14809	4.3
161.09625	3.1
161.13181	3.2
163.11185	3.4
163.14835	14.7
165.05499	16.7
165.07770	4.0
165.09123	40.5
167.06981	2.6
175.14787	2.2
177.09120	9.0
177.16354	5.7
179.10591	2.6
181.08588	4.6
185.13214	2.5
189.12680	3.8
191.10617	2.8
191.17935	2.2
193.08646	19.2
203.10713	5.7
203.14297	3.0
205.12155	2.6
217.12306	4.8
219.13780	3.5
221.11690	7.4
231.13710	2.2
233.22591	3.7
235.13327	2.2
256.94901	2.5
289.28925	16.2
301.21689	2.5
307.29980	25.5
359.02872	3.0
386.15033	2.6
387.15839	7.0
399.35764	2.9
401.17889	3.7
402.18561	2.6
414.14001	2.8
415.15314	11.6
416.20020	3.1
417.20944	3.6
417.37109	7.0
427.35638	9.1
429.17026	6.2
430.17538	10.6
445.20068	98.4
445.36807	46.7
446.20743	11.3
446.36987	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	445.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93383	2.0
53.03955	2.9
55.01870	10.0
55.05271	3.1
55.05515	43.2
57.07080	43.1
67.05499	22.3
69.07072	78.0
70.81532	5.0
70.81887	3.1
71.04994	2.1
71.08640	33.0
79.05490	14.5
81.06589	4.0
81.07060	68.2
83.04969	5.8
83.08622	49.0
85.06536	2.8
85.10172	11.1
91.05476	10.6
93.07042	30.4
95.04939	2.9
95.08616	50.9
97.06533	7.7
97.10180	30.9
99.11751	3.7
105.07025	6.9
107.08604	36.4
109.06523	8.0
109.10159	24.2
110.62130	2.6
111.08073	11.9
111.11716	20.0
114.20365	2.6
119.08598	5.1
121.06521	8.3
121.10139	17.0
123.08084	10.5
123.11692	12.8
124.05202	6.6
125.06025	7.0
125.09651	3.0
125.13236	6.1
133.06528	2.7
133.10097	2.4
135.08081	5.0
135.11731	15.4
136.07820	2.6
137.05992	24.1
137.13237	5.6
139.07549	100.0
139.14828	3.0
147.11664	5.8
149.09671	3.8
149.13271	16.6
151.07547	14.9
161.05991	2.5
161.13307	3.0
163.14825	18.0
165.05493	15.8
165.09145	21.8
165.16389	3.3
175.11186	4.9
177.09138	6.5
177.16353	3.8
179.07045	12.5
179.10597	3.4
181.08618	3.8
189.12753	6.3
191.18001	3.0
193.08643	17.8
203.10686	6.5
213.12762	2.4
217.12326	6.1
219.21051	2.7
221.11731	2.9
231.13815	6.3
240.87093	2.2
289.28922	17.7
307.29935	26.5
316.18869	2.3
399.36182	3.6
417.37241	7.4
427.35681	10.2
445.36838	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30188	3.6
55.01867	6.2
55.05518	42.1
57.07083	78.7
67.05506	12.3
69.07076	57.1
70.10548	7.7
71.08633	58.3
79.05489	13.9
80.31165	3.9
81.07055	44.6
83.01344	16.0
83.05018	6.2
83.08633	40.4
85.10188	28.1
91.05484	18.7
93.07042	17.4
95.08633	34.6
97.02928	11.8
97.06554	3.4
97.10183	26.9
98.20889	5.5
99.04459	10.1
99.88210	3.7
102.73424	3.8
105.07034	11.9
107.08582	16.9
109.06524	69.6
109.10141	24.5
111.08058	9.3
111.11736	16.5
119.08602	9.9
121.06511	6.5
121.10119	11.1
123.08077	18.8
123.11704	11.3
125.13242	5.2
131.08571	12.9
133.10133	9.4
135.08078	21.2
135.11693	6.6
137.05995	100.0
137.09624	10.4
139.07559	31.7
143.08578	5.9
147.11722	6.3
149.09648	18.8
149.13260	5.5
151.07565	41.2
151.11270	4.7
153.09061	5.5
157.10143	8.2
159.11725	6.1
160.08784	4.8
161.09689	21.0
161.13255	7.9
163.07561	13.8
163.11182	8.4
165.09102	31.6
165.65819	3.7
169.08589	5.9
171.11754	7.2
173.09624	9.0
174.10417	4.5
175.11201	28.6
177.09114	17.2
179.10706	16.2
186.13528	4.2
188.12009	5.2
189.12726	23.2
191.10699	9.0
193.08624	6.0
193.12265	16.5
201.12776	4.2
203.10706	4.6
203.14307	7.5
205.12221	5.7
207.13812	16.8
217.12254	5.3
217.15681	5.2
219.13864	4.7
221.15378	13.5
226.54822	3.9
231.17624	5.3
235.17032	9.6
249.18547	8.7
263.20047	11.0
277.21616	11.8
291.23196	8.0
305.21552	4.7
305.24811	7.8
319.26398	5.0
385.34650	32.8
399.36319	36.8
403.35855	31.7
417.37283	55.7
427.35962	21.1
445.31119	4.7
445.36624	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	445.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.0
53.03944	3.7
55.01860	3.1
55.05275	1.5
55.05515	17.7
57.03423	4.3
57.07071	2.1
65.03927	2.7
67.05508	43.4
69.03430	4.9
69.06733	1.2
69.07075	15.5
70.56186	1.4
70.56519	1.9
70.79713	1.0
71.04980	3.8
73.04754	1.0
78.79941	1.0
79.05496	35.9
81.03422	8.0
81.07059	42.6
81.27237	1.1
83.04987	4.4
83.08619	7.6
85.02913	1.6
85.06542	2.1
87.04509	1.1
91.05479	53.3
93.07047	35.3
93.07641	1.7
95.04979	6.7
95.08615	23.9
95.09235	1.2
97.02888	4.5
97.06520	4.1
97.10171	3.7
99.04443	1.4
103.05440	2.1
105.04532	1.5
105.06316	2.5
105.07031	48.9
107.04960	4.4
107.08600	17.0
107.79803	1.0
109.02910	1.5
109.06499	4.0
109.10166	9.5
111.04466	1.6
111.08086	2.7
115.05452	3.1
116.06260	1.2
117.07030	28.0
119.08584	31.2
121.06509	3.9
121.10151	11.3
123.08091	3.1
123.11688	1.8
125.09619	2.3
127.03909	1.2
128.06207	3.0
129.05537	1.5
129.07013	20.6
130.07796	1.3
131.07594	2.2
131.08577	41.9
133.06500	3.3
133.10139	16.1
135.08070	3.9
135.11729	5.3
137.09615	1.3
138.27065	0.9
141.07008	7.3
142.07811	2.9
143.08559	21.1
144.09415	1.2
145.06470	3.1
145.10127	23.6
147.08055	4.2
147.11694	5.7
149.09641	3.6
149.13277	2.3
151.11227	1.4
155.08549	10.4
156.09370	1.3
157.10127	13.1
159.08089	2.2
159.11691	8.7
161.09619	2.1
161.13284	3.3
163.11188	3.1
165.07132	1.0
167.08575	3.8
168.09282	1.0
169.10138	7.4
171.08060	2.1
171.11711	8.0
173.04485	3.8
173.09674	2.9
173.13263	4.0
175.11223	2.1
177.12717	1.3
181.10150	4.9
181.12189	1.1
183.11691	6.1
185.13232	5.4
187.11221	1.1
187.14828	2.9
191.10709	1.3
195.11649	3.8
197.13316	3.8
199.11317	1.3
199.14847	3.1
201.12721	1.9
201.16492	1.6
209.11646	2.4
209.13455	2.5
211.14876	4.5
213.12776	1.3
213.16449	2.2
215.14342	1.3
217.15915	1.7
219.13947	1.6
221.13216	1.4
221.15547	1.3
223.14821	2.6
225.16318	2.4
227.14481	2.4
229.15977	1.3
231.17290	1.2
233.15466	2.6
241.15901	1.9
243.17572	1.3
247.16975	3.9
255.17436	1.4
259.17136	2.5
261.18579	2.1
269.19034	1.4
273.18436	1.8
325.25354	4.5
335.23535	6.8
343.26428	5.5
353.24799	20.0
371.25833	17.4
389.26947	17.2
427.28543	4.2
445.29550	100.0
446.29858	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.8
55.01875	4.8
55.05275	1.1
55.05514	19.1
57.03424	4.0
57.07079	1.3
59.05008	1.0
65.03940	2.0
67.05510	46.5
69.03431	4.2
69.07068	13.9
71.04991	6.4
71.51313	1.7
73.04774	1.2
77.03921	1.3
79.05020	1.2
79.05497	44.2
81.03430	7.7
81.07061	45.4
83.04987	5.2
83.08639	6.9
83.13319	0.9
85.02891	2.3
85.06564	3.3
91.05486	64.6
93.07050	37.7
93.07642	2.1
95.04985	7.2
95.08611	24.5
97.02913	3.0
97.06534	5.3
97.10190	3.6
99.08092	1.3
101.24950	0.9
103.05488	3.0
105.04526	2.3
105.07037	52.7
107.04964	5.0
107.08596	17.7
109.06531	5.7
109.10164	10.5
111.04465	1.4
111.08083	1.7
115.05482	3.2
116.06246	1.4
117.07029	27.1
117.07869	1.7
119.05003	1.3
119.08590	29.1
121.06525	4.2
121.10130	12.5
123.08112	2.6
123.11751	2.0
125.09657	2.6
127.03943	1.2
128.06244	5.9
129.07022	18.5
130.07831	1.9
131.08575	42.8
133.06483	2.4
133.10146	17.2
135.08049	5.0
135.11691	5.8
137.09653	3.2
141.07031	7.3
142.07788	2.1
143.08565	18.6
145.06499	3.5
145.10132	20.1
147.08075	4.4
147.11713	4.8
149.09654	2.3
149.13274	2.2
151.11227	1.5
153.06976	1.2
153.12756	0.9
155.08563	11.9
157.06549	1.3
157.10144	12.1
159.08093	2.9
159.11707	11.0
161.09680	3.3
161.13274	2.0
163.11180	1.3
167.08611	3.3
168.09467	1.3
169.10121	6.6
171.08031	1.9
171.11734	7.8
173.04480	2.7
173.09668	1.5
173.13248	5.2
175.11191	2.6
177.12799	1.7
181.10164	3.7
183.11737	6.3
185.13293	4.5
187.11246	1.3
187.14856	3.7
191.10617	1.1
193.10197	1.8
193.12256	2.3
194.10793	1.1
195.11740	5.1
197.13333	4.7
199.11194	1.7
199.14890	3.2
201.12784	2.1
207.11902	1.2
209.13318	3.5
211.14828	3.5
213.16356	1.6
217.15836	1.1
219.13843	1.6
221.13231	1.5
223.14890	3.1
225.16516	2.9
227.14445	2.4
229.16013	1.9
233.15523	1.2
235.17130	1.3
237.16467	1.9
241.15984	2.0
245.15463	1.2
245.19162	1.1
247.17067	4.4
255.17589	3.0
259.17114	1.6
261.18512	1.3
269.19070	1.6
271.16971	1.1
273.18549	1.7
297.19214	1.1
317.22495	1.2
325.25369	3.0
335.23792	5.4
343.26123	5.6
353.24765	21.0
371.25824	21.4
389.26877	20.2
389.31741	1.3
405.11697	1.0
427.28513	4.3
445.29602	100.0
446.29846	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	445.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	8.9
55.01879	2.2
55.05518	10.2
57.03439	16.1
61.02924	2.4
67.05511	49.4
69.03431	28.1
69.07066	9.3
69.29326	5.4
69.29747	11.5
71.05000	100.0
73.02936	2.6
73.25208	1.8
79.05500	16.7
81.03422	66.4
81.07060	67.5
81.07529	3.5
83.04996	16.7
83.08647	8.5
84.66266	1.9
85.02914	10.8
85.06564	10.5
85.99812	1.8
91.05486	37.6
93.07049	23.8
95.05005	4.6
95.08604	13.8
97.02896	27.6
97.03435	2.3
97.06555	8.3
99.04474	8.5
105.07050	21.2
107.08607	17.7
109.02920	6.2
109.06558	3.7
109.10154	12.1
111.04483	6.2
115.31418	1.8
117.07025	3.6
119.08607	5.3
121.10180	8.1
123.11687	13.0
127.03930	14.0
129.05554	6.1
131.08591	9.2
133.10130	34.1
135.11732	6.7
145.10220	2.3
146.56532	2.0
147.08049	2.3
147.11711	2.8
149.13284	10.2
151.11172	20.4
153.09125	2.2
159.11728	10.7
169.12257	1.9
171.11772	2.0
173.04465	29.2
173.05811	2.4
175.11308	2.7
177.12814	7.0
183.13759	9.9
187.13307	28.2
187.14769	2.3
193.12294	2.5
195.12234	1.8
195.13763	8.7
201.14842	16.1
209.11761	3.0
213.14960	2.0
237.73657	2.1
239.16479	3.2
243.16023	3.2
257.17514	45.5
257.20026	3.1
258.18097	2.6
269.17581	2.6
301.20175	4.8
339.18204	6.3
395.20844	3.7
413.21997	8.0
445.24585	62.8
445.30008	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	444.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44397	0.2
53.03951	0.4
59.05004	0.3
62.74560	0.2
65.03952	0.9
67.11069	0.2
69.03440	0.5
70.06606	0.4
70.40160	0.5
79.05492	0.3
81.03425	2.7
85.02923	0.8
86.09704	0.3
93.03411	0.3
95.04980	1.1
97.02907	0.8
99.04462	0.3
106.06480	0.3
109.02900	1.2
111.04475	0.5
114.40503	0.2
120.04464	0.4
121.02879	29.9
122.03226	0.5
127.03899	0.5
134.06003	1.7
139.03905	1.9
145.05028	0.2
153.01854	0.2
155.96706	0.2
162.05513	100.0
163.05885	1.6
183.16904	0.2
265.07123	2.5
283.08078	0.8
365.61398	0.2
370.91431	0.2
444.06958	0.3
444.12845	4.5
452.12109	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	444.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60100	0.3
52.86119	0.3
53.03944	0.5
55.01866	0.8
56.05013	0.3
56.96568	1.3
57.03440	2.0
58.38160	0.3
59.05006	1.9
60.96721	0.3
61.02924	2.0
69.03433	6.9
70.06601	1.9
70.70869	0.3
71.01348	0.5
71.04990	1.0
71.06927	0.3
71.50379	0.3
71.50742	0.3
73.02903	0.6
73.04738	0.4
75.04488	0.8
81.03427	1.4
81.04542	0.4
82.34046	0.3
83.04969	0.4
84.08131	0.5
85.02910	8.9
86.09732	0.3
87.04475	4.9
89.06033	0.3
89.65611	0.3
91.05788	0.7
97.02894	4.6
98.97587	2.3
99.04480	0.9
101.06019	2.8
103.05505	0.3
109.02845	0.8
109.21333	0.3
110.97581	0.8
111.04455	0.8
112.99181	0.3
115.03949	1.6
116.98637	0.8
119.03542	0.8
120.08106	1.5
122.07169	1.3
123.08018	1.4
124.08303	0.3
127.03970	1.4
128.98619	0.6
129.05484	1.0
136.06192	100.0
137.04599	0.5
137.06584	0.7
138.90353	0.3
145.04980	0.8
146.99667	0.3
147.04422	0.8
147.06534	3.2
153.01862	1.5
158.99699	0.7
163.04001	0.4
166.08630	0.6
170.99710	0.7
177.00728	0.3
189.00684	0.5
198.29552	0.3
201.00729	0.3
201.54907	0.3
219.01651	0.6
237.02831	0.9
259.02570	0.3
281.10901	0.4
282.01657	0.4
282.11969	9.2
298.11472	0.9
303.01364	0.7
339.17725	0.3
359.02884	0.9
444.06708	0.4
444.17130	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	445.1108
Annotation	3'-O-Methylderhamnosylmaysin
Peak:m/z	Relative Intensity
70.02911	32.6
70.95304	7.1
85.54053	6.9
98.21502	11.3
104.82234	6.2
135.91734	6.4
140.06551	6.2
148.96278	6.7
168.99940	6.7
247.35004	6.9
368.00470	7.4
445.11124	100.0
461.23099	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	445.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68184	0.4
53.03942	1.7
55.01869	0.9
55.05506	0.8
57.03429	1.2
61.02919	1.6
67.05498	1.1
68.99795	0.7
69.03433	7.2
70.06598	0.7
71.04978	0.9
71.52030	0.4
73.02918	1.1
73.04744	0.7
79.05495	2.6
81.03426	6.0
81.07060	2.1
84.08099	0.6
85.02906	12.1
85.06548	0.5
87.00827	4.2
91.05442	3.3
93.07052	4.9
95.04978	0.5
95.08613	1.4
97.02900	4.5
99.04476	2.5
103.03964	0.5
105.01861	2.1
105.07039	6.4
107.04925	0.5
107.08599	30.3
109.02880	6.7
109.06512	0.9
109.10155	2.5
117.07050	0.4
119.08585	4.9
121.06545	1.0
121.10159	4.3
123.08083	0.8
123.11667	0.9
127.03926	9.0
129.01874	0.7
131.08598	0.9
133.10138	15.1
135.11667	2.1
137.05956	0.9
139.07584	1.3
143.08540	1.1
145.04996	2.2
145.06026	0.4
149.09645	2.7
151.07556	1.1
151.11185	5.6
159.02888	2.0
161.09644	5.5
167.10698	10.7
175.14882	0.6
179.09113	0.8
179.10683	14.3
197.11740	100.0
198.12099	1.8
211.16997	0.5
213.03955	0.6
231.04990	2.3
245.10838	0.4
359.02887	0.5
409.15155	0.5
427.16223	0.9
436.69058	0.6
445.16959	3.1
446.65146	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50822	0.3
60.02589	0.3
62.38585	0.4
63.08308	0.3
66.03259	0.3
69.52601	2.6
70.06592	0.7
72.04505	0.5
72.08165	0.4
73.04752	0.6
74.00657	0.4
76.03990	1.1
81.05786	0.5
84.04517	6.8
85.01131	0.5
85.04044	2.0
86.09695	1.6
91.05804	0.9
92.01674	0.7
93.05780	1.1
93.07027	0.6
94.06565	2.1
98.21500	0.4
99.02679	1.7
99.05576	0.7
106.06537	0.7
108.08117	1.5
109.08885	1.0
110.06051	0.8
110.09678	0.9
111.02680	0.8
112.02211	0.4
113.03477	0.4
113.04187	0.6
118.06584	0.9
119.07310	1.4
120.08075	0.6
122.06034	7.0
123.02629	0.5
124.02174	0.7
124.07569	0.6
125.03022	0.8
125.04216	0.4
126.03726	1.7
127.02120	0.6
127.04535	1.3
129.06573	0.5
130.05029	3.4
131.04509	1.1
133.06039	0.3
135.02628	0.6
136.07570	1.1
137.08368	36.9
138.09160	7.8
140.10678	1.2
142.03288	0.4
142.06866	1.1
145.06097	0.7
152.05316	5.0
153.01778	0.4
154.06863	0.4
167.05632	0.5
170.06360	100.0
171.06635	1.3
172.07927	1.5
177.03299	4.5
180.04739	0.5
181.06110	0.4
185.03810	1.4
191.04211	0.4
196.07932	10.1
196.09698	0.7
197.55609	0.4
206.06337	1.1
213.10597	2.7
223.09052	1.9
223.31696	0.3
224.07414	12.2
224.09615	0.6
225.04457	0.4
231.04369	5.9
238.08635	0.6
241.10081	6.2
279.11594	1.9
288.06497	0.9
300.85892	0.4
306.07535	0.5
307.11072	0.4
312.08557	1.1
316.13229	7.1
359.02853	0.9
370.14343	1.2
445.17471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05499	0.7
55.63863	0.3
57.03446	0.4
57.05813	0.4
59.36021	0.3
60.04514	0.7
60.05650	7.1
61.02927	0.4
67.05498	0.9
69.03428	1.4
69.07070	9.2
70.06595	21.6
71.04995	0.9
71.51039	0.6
72.08150	2.6
72.16856	0.3
79.05496	0.9
81.03419	0.9
81.07064	0.5
83.04987	0.6
84.04498	0.7
84.08159	0.4
85.02905	2.6
86.09708	100.0
87.10022	0.5
91.05494	0.9
93.07051	1.0
95.04972	1.0
95.06097	0.4
95.08606	0.7
97.02911	0.9
97.07661	0.8
98.06081	0.6
105.07032	0.6
107.08598	0.4
108.03049	0.3
109.02949	0.5
109.10154	0.8
112.08729	3.8
113.07130	0.7
114.10295	0.8
115.08689	3.8
116.06399	0.3
116.07097	8.6
119.04949	0.4
119.08606	0.7
121.06485	0.7
121.10129	0.5
122.55804	0.4
123.04445	0.5
125.06074	0.4
127.03886	0.6
128.10725	17.1
130.09740	2.6
131.08583	0.8
133.09889	0.7
137.09621	1.1
139.03937	2.8
143.03371	0.4
145.06525	0.6
145.10141	0.4
147.04422	0.6
147.08038	0.5
153.01837	9.2
153.02885	0.4
156.10165	1.0
156.11324	7.4
157.10741	0.7
158.09245	6.4
161.09558	0.4
171.16412	0.4
175.11916	17.6
187.10866	0.5
205.12413	0.4
216.25697	0.4
223.17995	0.5
226.15579	0.6
228.17105	0.5
245.15451	0.6
253.16692	0.5
263.13437	0.3
263.16446	1.9
269.18640	1.0
271.17673	8.3
281.17575	0.7
288.20251	0.6
291.44815	0.4
399.16119	0.5
400.77798	0.4
425.28622	1.0
443.29782	81.8
444.30020	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	443.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26562	0.9
53.03942	2.6
55.01869	3.9
55.05517	21.9
57.03445	4.7
61.59867	0.8
65.03945	3.2
66.90571	0.9
67.05513	37.1
69.03434	1.5
69.07076	13.9
71.04992	3.2
71.08640	0.9
77.03934	1.6
78.63869	1.0
78.93327	1.0
79.05504	32.9
79.05966	1.6
81.03475	1.0
81.07066	33.3
83.04984	3.4
83.08621	11.3
84.96033	1.2
85.06549	3.4
91.05489	41.7
93.06482	1.5
93.07053	24.1
95.04984	5.2
95.08617	20.3
97.06526	5.4
97.10152	4.8
99.08131	1.6
99.09383	1.0
103.05482	1.9
105.07044	29.3
107.04973	5.1
107.08611	11.6
109.06534	6.0
109.10165	8.6
111.08099	3.8
115.05453	6.7
116.06238	2.3
117.07034	23.2
119.04938	1.5
119.07801	1.7
119.08595	17.9
121.06484	5.3
121.10180	6.4
123.08092	4.0
123.11708	2.5
125.06050	1.1
125.09618	1.6
128.06245	9.2
129.07016	32.6
130.07858	1.8
131.04936	1.2
131.08582	32.9
133.06514	5.0
133.10146	9.6
135.04420	1.2
135.08057	5.7
135.11705	3.0
137.09636	3.2
139.11195	1.3
141.07016	14.0
142.07777	4.3
143.08585	33.5
143.09714	1.7
144.09320	1.5
144.34444	1.0
145.06531	6.2
145.10139	17.1
147.08052	5.8
147.11693	3.3
149.09642	3.8
149.13284	2.0
151.07549	6.9
151.11217	1.9
152.06279	1.3
153.07004	3.3
154.07759	2.8
155.05984	1.3
155.08575	24.6
156.09361	2.0
157.06538	3.0
157.10133	16.4
159.08038	4.8
159.11720	6.5
161.09659	2.8
161.13240	1.3
163.07570	1.5
163.11224	1.6
165.07053	3.8
166.07822	2.0
167.08626	10.9
168.09358	2.1
169.10149	13.1
171.08058	3.2
171.11691	9.4
173.09633	3.4
173.13307	3.3
175.11211	3.5
175.14742	1.1
177.08983	1.0
177.12689	1.5
178.07811	1.5
179.08530	4.7
180.09325	1.7
180.42755	1.1
181.10152	10.1
182.10742	1.2
183.08026	1.6
183.11710	10.4
185.09659	2.1
185.13243	6.3
187.11111	1.1
187.14890	1.3
189.12805	1.8
190.56693	1.0
191.10699	2.2
192.09363	1.5
193.10146	3.1
194.10913	1.4
195.11743	8.5
197.09604	1.8
197.13264	4.8
199.11195	2.0
199.14844	3.6
201.12746	1.8
205.10056	1.0
207.11801	4.3
209.13326	7.1
211.11230	2.3
211.14838	3.9
213.12784	6.4
213.16467	1.9
215.14290	1.7
217.15956	2.3
221.13286	7.1
223.14841	6.0
225.12808	3.7
225.16356	1.2
227.14326	3.9
229.15909	1.1
231.13928	1.7
233.13315	1.9
235.14847	5.0
237.16438	1.3
239.14357	4.3
239.18051	1.5
241.16057	2.3
243.13866	1.4
245.15445	2.1
249.16496	1.4
253.15836	4.0
255.17593	1.1
257.15491	2.3
259.17032	1.6
267.17633	1.2
271.17059	4.1
283.16986	1.1
285.18658	1.7
315.20822	1.3
323.23700	4.9
333.22122	10.7
341.24792	6.9
345.20514	1.4
351.23224	34.6
352.23557	1.9
359.89267	1.0
369.24289	35.1
370.24677	2.0
387.25296	13.3
407.25842	2.2
408.97418	1.1
425.26740	6.1
443.27972	100.0
444.28439	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	443.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05478	8.0
69.03428	11.9
69.48419	16.4
69.48833	41.3
70.06583	23.2
81.07069	9.8
85.02920	12.3
86.09712	59.6
93.07082	10.5
105.07077	9.9
116.07113	17.8
119.08592	11.1
123.04441	34.2
131.04948	11.5
135.08069	100.0
139.03918	28.4
153.01816	16.6
159.08102	11.2
159.11720	18.4
173.09599	16.2
187.11125	48.7
188.80058	9.2
197.12904	13.0
203.10681	10.2
215.10649	30.5
227.10640	13.7
229.15402	12.8
233.11771	38.5
245.11732	26.8
263.12903	30.0
263.16489	19.9
310.21362	13.8
361.41940	9.6
361.46072	10.2
431.34601	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	443.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	12.0
55.01867	10.1
55.05515	24.8
57.03442	21.4
58.87222	3.3
61.02932	51.2
65.23882	3.1
65.53677	3.2
67.05183	4.6
67.05508	67.6
69.03434	40.8
69.07080	17.3
71.01364	4.9
71.04979	5.5
71.52093	4.7
73.02907	22.5
75.14600	3.3
76.81447	3.8
77.03915	4.4
77.72407	3.4
79.04987	5.1
79.05494	100.0
81.03428	34.2
81.07066	69.3
83.04991	20.2
83.08601	12.2
84.04464	4.1
85.02444	3.7
85.02908	48.8
85.06541	10.0
87.04449	4.4
91.03976	21.7
91.05488	78.6
93.06481	6.7
93.07049	97.7
95.05004	24.8
95.08620	41.5
97.02901	45.6
97.06562	8.1
97.10150	8.1
99.04436	8.8
101.02361	10.0
103.03951	4.2
104.43111	3.6
105.04505	4.7
105.07035	70.5
107.04948	10.4
107.08600	33.2
109.02884	16.9
109.06516	14.2
109.10172	24.2
111.04417	4.6
115.05465	5.7
117.07047	20.3
119.08592	39.1
121.06494	8.5
121.10136	10.5
123.08067	10.5
123.11707	4.9
127.03941	25.9
128.06189	4.4
129.05482	5.0
129.07007	32.0
131.04959	4.2
131.08577	11.6
133.06514	4.7
133.10109	17.5
135.08093	4.7
135.11661	8.2
137.05946	4.9
137.09625	10.4
143.08560	22.6
145.04955	7.6
145.06480	6.9
145.10158	20.4
147.08040	7.5
147.11690	67.0
151.07559	18.4
157.10175	5.1
159.11684	12.4
161.09660	8.8
161.13249	20.6
163.07584	4.7
163.11124	6.1
165.09142	11.3
167.08559	4.4
171.11694	55.3
173.09735	4.2
173.13223	4.1
177.09196	3.5
177.12756	7.4
179.14388	4.7
183.06523	7.1
185.13266	3.6
187.07436	5.4
187.10907	3.7
189.12794	20.3
191.10648	8.4
207.13812	49.8
281.17514	72.6
287.16202	5.3
369.23544	4.2
389.19318	4.8
443.27386	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	441.3729
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
55.05515	19.3
57.07060	12.2
67.05510	27.1
69.07069	44.7
69.86481	18.6
71.08637	4.8
71.94413	3.3
79.05492	15.3
80.19920	4.3
81.07064	65.0
83.08614	15.7
87.04475	5.4
91.05486	11.7
93.07047	33.1
95.08614	100.0
97.06528	4.0
97.10188	4.6
105.07036	21.1
107.08600	58.7
109.10158	92.3
111.08104	7.0
111.11728	8.0
117.06985	4.3
119.08577	47.6
121.06493	8.9
121.10160	52.6
123.08075	6.7
123.11703	32.1
124.99986	3.8
131.08592	8.3
133.10144	38.4
135.11708	22.8
137.13246	21.6
143.08566	5.1
144.09370	6.0
145.10109	17.7
147.11673	16.3
149.09663	5.0
149.13281	31.5
157.10153	12.9
159.11684	20.4
161.09641	5.3
161.13300	13.0
163.14784	18.1
165.12741	5.5
170.10844	5.2
171.11711	14.0
173.13281	16.7
175.11133	4.3
175.14827	17.2
177.12773	3.7
177.16365	11.7
179.14372	4.5
185.13281	7.1
187.14844	14.1
189.16426	14.7
191.17964	20.1
193.12244	5.9
193.15910	4.3
199.14841	10.2
201.16371	9.2
203.17946	7.6
205.15892	4.4
205.19566	20.8
207.17538	5.1
213.16403	12.4
215.17996	12.5
217.15854	6.5
217.19479	8.6
229.19632	3.8
231.17450	5.1
231.21103	11.2
235.16933	11.5
243.21194	3.9
245.22641	10.7
262.27615	4.2
311.27435	3.9
323.27512	5.3
327.30466	4.5
331.26489	4.9
353.66150	4.8
380.78705	3.8
405.35178	48.5
423.36343	27.8
441.32346	5.6
441.37424	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84293	0.4
54.03471	3.8
55.04248	3.2
57.03428	0.7
57.29532	0.5
58.31353	0.5
61.02891	0.9
69.03421	2.2
70.06597	4.2
71.49988	0.5
71.50423	0.5
80.05016	0.6
81.03471	0.6
81.04540	19.3
82.05322	9.9
84.08156	0.6
85.02904	2.8
97.02885	1.1
97.43763	0.5
98.97558	1.1
99.04459	0.6
101.75754	0.5
108.05626	1.1
110.07201	0.6
114.03749	0.6
119.72728	0.5
122.07158	100.0
123.07939	96.4
124.08294	1.0
127.03945	0.9
143.84222	0.5
144.04797	1.6
153.01814	2.3
160.04361	2.6
165.07741	4.3
172.04253	1.5
201.07167	0.5
206.01326	0.6
221.28523	0.5
245.11366	0.7
269.33173	0.5
281.10678	58.9
282.10995	1.2
323.11761	0.7
443.15979	75.9
444.16275	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	443.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.0
62.38415	0.6
64.61922	0.6
65.03954	0.8
67.05494	2.4
68.10203	0.6
69.03418	1.2
69.07060	0.9
70.80006	1.6
78.02695	0.6
79.05507	1.4
81.03401	0.8
81.07058	2.5
83.04975	0.8
85.06542	0.9
91.05461	1.6
93.07045	1.6
95.04942	1.1
95.08612	2.3
105.07032	2.0
107.08586	1.9
109.10144	2.0
117.07077	0.7
119.08582	1.9
121.10160	1.3
123.04423	0.8
123.08135	1.0
128.06265	0.9
131.08545	1.0
133.06465	0.7
133.10164	0.7
135.08125	0.9
143.08536	0.9
145.06375	0.6
149.09656	1.0
151.07556	1.4
153.97498	0.6
157.10144	1.0
161.09586	0.8
163.11230	0.7
165.09109	0.9
177.16385	0.8
183.11523	0.8
191.10664	1.2
195.13565	2.4
227.05414	0.8
269.07327	0.6
286.16428	0.7
286.86795	0.7
296.90741	0.7
311.78268	0.7
312.02228	0.7
351.22412	0.7
357.18860	11.1
399.19916	44.7
400.20169	0.9
443.18924	100.0
444.19391	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	441.373
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
53.03952	1.7
54.55647	1.1
55.05515	5.2
57.07079	1.6
67.05506	10.9
69.07068	7.4
69.34793	9.9
70.28321	1.0
79.05502	12.9
81.07056	22.2
83.08630	3.2
91.05473	9.8
93.07047	32.6
95.08614	52.0
97.10175	2.2
98.21596	1.2
103.05456	1.9
105.07018	12.8
107.08598	23.1
109.10159	44.2
111.11730	3.1
115.05514	1.0
119.08591	3.9
121.06600	1.5
121.10152	58.1
123.11716	21.9
131.08546	2.3
133.06560	1.1
133.10130	2.5
135.08064	1.7
135.11716	11.0
137.13281	3.7
137.58876	1.1
139.11218	4.7
145.10141	2.0
147.11720	1.8
148.45378	1.0
149.09627	100.0
149.13268	18.8
151.11201	14.6
159.11740	1.9
161.09676	1.5
161.13319	1.4
163.11153	6.4
163.14812	17.9
167.10689	8.3
175.14845	1.9
177.12759	6.7
177.16409	2.9
180.26450	1.0
187.14830	2.6
189.16402	1.9
191.17961	1.4
203.14336	5.1
205.15883	20.6
205.19534	8.8
217.15877	2.0
219.17612	8.8
219.21082	22.1
287.23672	1.3
295.85226	1.2
313.25247	2.6
327.26788	1.8
423.36249	47.8
424.36517	3.0
441.37320	42.5
441.42395	0.6
442.37997	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.03944	1.7
55.05511	5.3
57.07084	2.5
67.05502	13.4
69.07072	22.4
79.05493	9.1
79.70959	1.3
81.07060	52.2
83.08628	4.1
91.05476	6.7
93.07053	17.1
95.08614	35.5
97.06530	1.5
97.10173	2.9
105.07043	5.9
107.08602	19.0
109.06576	1.8
109.10172	44.5
111.11745	3.0
117.07060	1.4
119.08592	10.5
121.06541	3.1
121.10155	38.2
122.07327	1.0
123.08062	2.0
123.11724	12.6
131.08595	1.8
133.10127	5.7
135.08035	11.1
135.08844	1.0
135.11690	9.7
137.09601	6.3
137.13268	6.5
139.07562	4.7
142.77237	1.1
143.08534	1.3
145.10143	4.1
147.08025	1.6
147.11696	5.3
149.09634	4.3
149.13268	7.1
157.10199	1.7
159.11716	3.1
161.09587	2.9
161.13275	4.0
163.07536	11.3
163.11208	2.7
163.14841	7.2
165.09129	63.0
173.13341	3.9
175.11331	2.3
175.14861	4.4
177.12643	1.3
177.16420	2.7
179.10753	1.7
181.08640	6.1
185.13278	1.8
187.11302	1.3
187.14888	3.3
189.12741	1.6
189.16409	2.1
191.10733	2.4
191.17993	1.2
199.14742	1.6
201.16391	1.2
203.10727	3.2
203.14372	4.7
203.17981	2.8
205.12247	6.6
205.19528	3.8
217.15909	1.7
219.13963	2.3
219.21040	1.1
229.19798	1.3
231.13887	4.2
231.17534	1.2
231.21239	1.0
241.19356	1.1
245.15529	1.2
255.17535	1.1
266.46268	1.1
405.35431	1.7
423.32053	1.8
423.36639	3.4
441.37405	100.0
442.37723	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	441.3727
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
51.02581	0.4
52.58680	0.3
53.03938	0.5
55.05510	1.8
57.03439	0.4
57.07062	1.2
62.78824	0.3
65.03936	0.4
66.07085	0.3
67.05499	3.6
69.03429	1.1
69.07073	4.6
71.08621	0.5
71.51932	0.4
71.52340	0.6
79.05486	2.3
81.07060	10.8
83.04982	3.3
83.08588	1.6
85.06526	0.6
91.05495	1.9
93.07044	4.9
95.04972	1.7
95.08611	17.0
97.06533	0.8
97.10178	1.0
105.07025	4.2
107.08591	9.6
107.09306	0.6
109.06519	1.6
109.10159	8.6
111.08074	1.5
111.11742	1.7
119.08590	6.6
121.06493	1.5
121.10147	9.2
123.08096	2.1
123.11710	5.4
125.09621	0.6
131.08580	1.3
131.49272	0.4
133.10138	5.7
135.08046	2.9
135.11693	10.2
137.09616	0.8
137.13257	3.0
139.11177	1.0
143.08661	0.6
145.10139	2.4
147.08063	0.4
147.11684	4.6
149.09624	13.3
149.13234	2.8
151.11154	0.7
153.12904	0.4
157.10150	0.6
159.11696	2.8
161.09566	0.6
161.13243	3.1
163.11198	1.1
163.14841	1.8
171.11694	0.7
173.13286	2.0
175.11240	0.8
175.14827	2.8
177.12740	1.1
177.16397	2.6
179.14339	0.5
185.13190	0.5
187.14847	1.0
189.12791	0.6
189.16374	5.2
191.14322	0.6
191.17946	4.3
193.15785	0.3
199.14857	0.8
201.16391	0.7
203.17969	1.1
205.19536	1.5
213.16431	0.7
215.17903	2.7
217.15941	0.6
217.19508	0.4
225.16348	0.3
227.17981	0.7
229.19420	0.5
231.17509	1.4
233.19017	4.9
235.16934	5.1
241.19681	0.5
245.19073	1.0
247.20726	0.4
259.24399	0.4
261.22308	1.0
263.20346	0.5
269.22745	0.9
273.22238	0.4
287.23679	7.6
297.70929	0.3
301.25232	0.5
405.34964	0.5
423.36227	1.1
441.37292	100.0
442.37561	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.2
55.05515	13.5
57.03411	1.7
60.33519	1.2
61.52987	1.7
67.05516	19.0
68.43047	1.3
69.03436	4.3
69.07079	7.1
70.06569	3.5
71.04977	2.0
71.51567	1.8
72.08146	2.2
76.74237	1.3
77.03912	2.0
79.05501	16.6
81.03407	3.1
81.07057	18.6
83.04964	2.4
83.08616	5.9
85.02895	2.9
85.06538	1.9
91.05486	12.1
93.07054	12.1
95.04920	2.1
95.08609	17.9
97.02882	1.6
97.06548	2.3
97.10168	6.4
99.08110	1.7
105.07039	14.6
107.04957	4.7
107.08595	10.6
109.06525	2.6
109.10139	7.3
111.08082	2.0
115.05460	3.6
117.00938	1.3
117.07033	8.4
119.08614	8.0
121.06496	10.8
121.10146	5.7
123.08067	4.2
125.09626	4.8
128.06230	4.2
129.06995	16.0
131.04918	9.9
131.08572	12.7
133.06519	4.9
133.10130	4.3
135.08051	3.1
135.11676	2.6
137.09639	2.2
141.06999	5.1
143.08569	13.9
144.05710	3.6
145.06493	83.3
145.10124	4.4
147.08047	6.9
147.11702	2.7
149.09604	4.1
151.07571	4.1
153.01901	1.9
155.08533	7.9
157.06491	12.7
157.10117	5.2
159.04323	1.5
159.08092	9.9
159.11697	2.6
161.06042	5.2
161.09679	1.5
165.09152	4.8
167.08575	5.4
169.06490	8.9
169.10147	4.7
170.07248	1.8
171.08051	18.5
171.11710	1.7
173.09596	1.8
175.11189	2.6
179.08498	2.4
181.06560	2.8
181.10144	4.4
183.08081	8.9
183.11667	1.6
184.08916	2.2
185.09622	6.3
185.13263	3.1
193.10275	1.6
193.12184	1.5
195.08058	7.9
195.11687	15.2
197.09589	4.4
197.13321	7.2
199.11224	3.1
205.10257	1.9
209.09648	3.5
209.13351	2.9
211.09447	1.5
211.11177	7.8
213.12791	2.5
221.13326	2.4
223.11153	4.0
225.12747	4.8
227.14330	9.8
235.11264	3.1
237.12788	10.9
239.14336	3.5
241.15794	1.7
243.13980	1.7
255.13809	18.9
257.15338	2.6
273.14853	33.4
281.15387	3.4
283.16925	3.6
287.16705	1.7
291.12241	1.3
295.16992	3.4
297.18607	2.1
299.16400	3.6
311.16479	5.7
321.22333	1.6
325.18210	2.4
326.43939	1.5
331.20480	3.2
339.23245	10.2
349.21680	37.7
367.22726	62.3
377.24820	3.5
385.23752	7.5
387.23083	2.2
395.25879	1.6
405.24103	14.1
423.25250	6.0
441.26346	100.0
442.26843	4.1
442.47403	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36033	0.7
69.48067	1.6
69.48479	3.1
72.10560	0.7
95.08595	3.0
128.10745	0.6
146.47350	0.7
199.07179	0.8
203.05301	2.3
227.05293	1.5
245.06320	8.1
252.58308	0.8
271.04370	1.1
289.05322	100.0
290.05679	1.7
342.65018	0.7
350.89795	0.7
355.56250	0.7
397.18491	6.2
423.16205	4.2
441.17355	80.2
442.17639	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	441.1734
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
50.85331	0.6
51.97218	0.6
61.30899	0.7
62.11203	0.6
67.52106	0.6
69.03434	1.7
71.04997	0.7
79.05488	0.9
81.07039	0.7
85.02917	1.6
89.62659	0.6
93.07070	1.1
97.02905	0.9
102.42587	0.6
105.07001	0.9
107.04980	1.1
109.06504	1.0
133.10161	1.0
135.11668	1.0
145.06288	0.8
147.08176	0.8
149.07423	1.4
153.00772	0.7
153.01845	4.5
163.03932	2.7
167.07043	2.5
168.07372	1.4
193.08574	0.6
193.11987	3.4
211.06081	0.7
227.05251	1.1
271.04141	0.7
279.15906	3.3
287.03986	0.7
289.05475	1.2
355.17377	9.0
379.17258	1.2
397.18350	37.7
398.18887	1.0
423.16260	2.2
441.17297	100.0
442.17654	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	441.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.1
55.05517	14.1
57.03444	2.5
63.99778	1.7
67.05236	1.5
67.05513	17.2
69.07057	5.5
69.17556	15.7
71.04984	2.3
79.05494	13.9
81.07067	15.4
83.08616	6.3
85.62365	1.6
91.05497	12.1
93.07053	8.6
95.08612	16.4
95.20560	1.5
97.10174	5.7
105.07021	11.7
107.08617	9.2
108.12959	1.7
109.10149	7.3
115.05466	2.0
117.07018	6.2
119.08598	4.1
121.06518	10.2
121.07259	1.6
121.10153	2.8
123.08047	3.2
125.09624	3.5
126.68827	1.6
128.06245	3.8
129.07016	13.1
131.04916	12.1
131.08556	7.8
133.06473	7.9
133.10085	1.8
141.06996	4.4
143.08557	12.6
144.05719	5.9
145.06493	81.7
145.10143	2.5
147.08054	5.6
151.07504	1.7
155.08546	7.8
157.06506	12.5
157.10104	3.3
159.08116	8.0
161.05957	8.0
165.06985	1.8
165.09091	5.8
167.08563	4.9
169.06483	9.4
169.10088	5.0
170.07304	2.3
171.08041	18.1
171.11679	2.6
179.08594	1.6
181.06499	2.4
181.10101	3.6
182.07277	2.2
183.08086	6.6
183.11571	2.8
185.09639	7.3
195.08072	6.4
195.11664	10.4
197.09647	3.4
197.13226	5.7
205.10237	3.1
205.12326	1.9
207.11621	2.8
209.09766	2.6
209.13303	2.3
211.11247	6.3
213.12767	3.4
223.11270	5.4
225.12787	3.4
227.14429	8.9
235.11176	3.2
237.10713	1.8
237.12691	9.2
239.14252	4.1
243.13802	3.3
249.12660	1.9
255.13812	17.0
257.15326	2.4
273.14853	34.6
281.15363	4.9
282.58636	1.8
283.16879	3.4
287.16467	3.8
295.16946	2.3
299.16406	5.8
311.16489	5.2
313.17926	3.1
321.22150	3.1
325.18076	2.1
331.20428	2.1
339.23276	8.9
349.21683	35.4
367.22681	64.6
368.22687	2.1
377.24847	2.5
385.23691	6.8
387.23062	4.0
405.24167	15.3
423.25201	3.1
441.26376	100.0
442.26733	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80463	1.0
51.53159	0.9
56.96568	17.1
57.10749	1.0
60.30904	0.9
69.03413	1.7
69.88278	4.4
84.96044	8.5
85.02895	2.7
91.61681	0.9
97.02920	1.6
98.91967	2.6
98.97593	100.0
110.97579	36.1
112.99129	1.5
116.98631	23.2
124.99129	4.3
127.03961	1.1
127.81007	1.0
128.98611	18.2
131.00166	2.4
134.99657	3.8
137.03218	1.1
140.98622	11.4
143.00169	13.5
144.98070	1.0
146.99692	6.3
147.04398	1.8
152.98619	6.6
153.01776	2.8
158.99667	40.4
161.01230	8.6
170.99675	28.2
173.01231	1.7
173.02858	1.0
177.00714	17.2
182.99667	23.4
189.00714	14.1
191.03815	1.3
194.99609	1.9
195.01779	1.2
201.00722	52.3
207.01801	3.4
213.00737	4.3
219.01773	37.3
231.01765	3.9
233.03328	1.5
237.02838	12.2
241.48578	1.3
243.01791	22.7
249.02840	1.2
255.03880	1.5
261.02853	82.7
262.03003	1.7
273.02792	7.8
279.03888	43.9
291.03931	13.0
297.05057	1.0
302.05350	1.7
303.01016	1.5
309.04950	1.4
321.01120	2.2
321.04935	32.5
333.04965	3.0
351.06097	5.6
381.07202	4.5
399.07852	2.2
441.09137	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	441.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01878	0.9
57.52025	0.5
58.51664	0.5
67.05471	0.7
69.03427	1.9
70.06591	1.4
71.40069	1.1
72.44499	0.5
79.01846	3.1
81.03422	5.9
82.06585	0.8
85.02898	2.1
86.55990	0.5
93.07050	0.8
95.46244	0.5
97.02890	4.7
107.01314	1.6
109.02897	3.9
119.22957	0.6
125.02393	2.4
127.03924	100.0
128.04269	0.8
143.03412	3.6
145.05034	1.4
149.75063	0.5
153.01842	66.8
153.02902	4.0
154.02147	0.6
163.04118	0.6
171.02885	5.6
213.12509	0.5
261.03387	0.5
267.89227	0.6
271.06137	0.6
279.13467	0.9
297.06030	7.0
315.07205	2.0
441.17679	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	441.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
69.03410	2.2
70.06594	0.8
70.95514	2.0
79.01863	2.0
81.03424	6.6
83.80857	0.6
85.02905	1.6
87.06319	0.7
97.02893	3.9
107.01322	1.5
107.04943	0.7
109.02895	5.0
125.02344	2.5
127.03925	100.0
127.56309	0.7
128.04288	0.9
143.03409	2.9
147.80911	0.7
153.01843	69.1
153.02873	3.2
171.02911	5.8
174.38097	0.7
184.81506	0.7
198.93027	0.8
261.77847	0.8
279.13358	1.5
297.06165	5.7
315.07123	2.0
441.11780	1.3
441.17291	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	8.7
63.15125	3.9
64.15866	3.8
67.05505	6.3
69.07059	6.1
69.37287	8.8
69.37698	26.3
70.06592	13.8
71.04988	7.7
72.86732	4.7
81.03387	4.8
85.02903	6.6
86.09709	9.0
91.05504	6.9
93.92682	3.9
98.97621	20.8
99.02225	4.3
110.97586	6.8
127.03939	5.6
153.01886	26.9
158.99632	5.9
198.93248	4.5
207.03253	7.9
219.01709	12.4
237.02913	9.8
260.10977	5.3
279.13397	8.7
286.12344	4.5
297.96924	5.4
300.33319	5.2
309.06491	10.0
318.13901	5.4
327.07376	19.5
402.09674	4.1
405.13248	5.0
423.14017	15.4
441.11609	100.0
441.17020	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	441.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72587	0.5
69.83019	2.6
71.04987	0.6
79.05498	0.7
81.07039	1.5
86.09730	0.5
93.07027	1.0
95.08616	0.6
105.07049	0.6
107.08610	0.6
130.43770	0.4
135.11696	1.1
153.01933	1.1
185.04239	1.0
193.12019	3.3
203.05392	0.7
221.11835	0.6
235.13220	0.6
238.10175	0.5
245.06369	3.5
247.75653	0.5
287.05576	1.2
288.05685	1.2
289.05508	4.9
355.17294	11.1
397.18356	33.6
398.18625	0.7
441.17340	100.0
442.17554	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	439.321
Annotation	Salacenonal
Peak:m/z	Relative Intensity
50.31971	6.6
53.26937	5.9
55.05506	26.3
57.07077	13.3
59.05033	6.3
65.03963	6.6
67.05510	84.4
69.07058	25.9
69.30930	19.2
69.31355	39.0
73.39380	5.6
79.05494	36.4
81.07059	89.8
82.89445	6.3
82.89919	6.1
83.08620	12.6
89.06026	26.5
90.06358	7.6
91.05472	22.7
93.07048	29.8
95.08610	90.8
97.06551	8.1
98.21571	13.7
103.05461	9.2
103.24054	5.7
105.07047	23.7
107.08588	28.1
108.39548	5.9
109.10127	44.1
109.11721	5.9
117.07018	11.8
119.08569	18.0
121.06496	7.2
121.10154	16.6
122.94355	5.8
123.04430	31.7
123.11700	18.5
129.07002	10.1
131.04955	17.1
133.08601	14.9
133.10127	21.8
135.08061	18.2
135.11685	11.8
137.05991	14.5
137.13274	7.6
142.98058	6.5
143.08617	8.2
145.06508	12.4
145.10129	12.7
149.06007	24.9
149.09746	5.9
149.13156	8.4
149.68236	7.4
157.10236	6.7
159.08089	11.9
159.11702	11.6
161.06033	7.3
163.07547	14.4
163.14803	9.3
165.09114	18.7
167.61281	6.6
171.08096	10.6
173.09576	30.8
175.11208	9.7
185.09637	20.5
187.07558	8.0
188.17413	6.6
189.09154	11.1
191.10716	8.9
199.11116	6.9
201.09111	90.0
203.10649	14.8
217.08572	31.8
219.10164	10.3
219.13820	12.6
225.12628	8.6
227.14285	7.6
239.14848	15.0
240.15300	9.7
241.12210	26.0
285.18652	6.6
403.29883	9.9
411.32718	14.8
421.30872	57.2
425.26883	15.4
439.31888	100.0
440.29016	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.08276	1.1
53.03938	1.3
55.05510	5.1
57.07066	3.5
59.03548	1.1
64.99769	1.2
67.05508	10.8
69.07072	14.1
69.25800	9.0
71.08624	1.5
79.05493	7.1
81.07066	23.9
83.08613	3.9
86.09715	12.1
88.11274	5.2
89.06031	3.9
90.06352	1.3
91.05461	6.3
93.07051	16.4
95.08611	43.9
97.10181	3.4
98.20722	2.3
105.07038	12.1
107.08605	24.1
109.06513	1.8
109.09468	2.4
109.10167	28.3
110.83110	1.1
111.11749	3.3
114.03190	1.0
117.06965	1.7
119.08601	18.1
121.06539	2.1
121.10150	22.4
123.08093	2.3
123.11702	11.7
131.08585	4.6
132.35716	1.3
133.08606	2.0
133.10146	16.2
135.08057	2.5
135.11711	16.1
137.13234	5.4
139.02272	1.2
143.08607	2.2
145.06490	1.3
145.10150	8.3
147.11685	11.8
149.09711	1.9
149.13283	16.4
151.11131	1.7
155.08507	1.1
157.10182	3.4
159.08060	1.5
159.11705	5.9
161.09645	2.3
161.13310	6.3
163.14812	8.5
171.11687	2.1
173.13280	4.1
175.11308	1.5
175.14909	7.1
177.16408	12.0
183.11708	1.7
185.13280	1.6
187.11221	1.3
187.14761	5.5
189.16426	8.7
191.17934	10.4
197.13202	1.3
199.14876	2.4
201.12808	1.6
201.16457	4.9
203.14438	1.2
203.17982	5.9
205.19560	8.0
207.17535	1.6
213.16432	1.7
215.14357	3.6
215.18045	3.4
217.15944	5.2
217.19496	2.7
219.21062	2.2
221.15381	1.9
229.15919	1.4
229.19397	2.0
231.17502	2.2
235.16948	2.5
239.14890	2.3
240.15289	1.7
247.17007	1.6
249.18570	4.4
259.20630	2.0
269.19220	1.5
275.20105	1.4
283.20609	4.0
289.21713	2.0
315.23209	1.5
343.26334	1.8
345.28143	2.1
372.95532	1.2
393.35126	2.8
403.33694	4.3
421.34668	46.3
422.35107	2.5
439.35785	100.0
440.36319	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.321
Annotation	Salacenonal
Peak:m/z	Relative Intensity
53.03939	4.0
55.05506	18.9
57.07071	5.7
65.03938	3.7
67.05506	73.9
69.07059	23.7
69.36626	9.0
69.37054	10.8
71.08624	3.8
76.05984	2.4
79.05063	3.1
79.05495	26.5
81.07056	68.6
83.08614	7.9
86.09687	2.9
89.06026	9.9
90.06367	3.8
91.05475	15.9
93.07043	23.6
95.08611	52.7
97.06522	3.5
97.10175	7.9
105.07038	14.1
107.04934	2.8
107.08585	17.5
109.06525	3.7
109.10162	36.4
117.07038	8.0
119.08594	15.7
121.06484	2.7
121.10128	11.1
123.04452	16.1
123.11721	14.3
125.09618	3.5
128.06236	3.8
128.61911	2.3
129.07005	6.4
131.04950	3.1
131.08559	9.9
133.06502	5.6
133.08636	6.1
133.10144	10.5
135.08032	4.4
135.11681	7.8
137.05960	8.6
137.13263	3.3
143.08516	5.3
144.05692	3.6
145.06502	10.2
145.10139	8.5
147.11740	4.9
149.05998	4.7
149.09671	4.2
149.13246	4.4
158.07300	2.8
159.08061	10.7
159.11708	3.7
160.05179	4.2
160.46349	2.5
161.06001	8.6
163.07559	6.7
165.09129	9.0
171.08162	4.5
171.11745	2.5
173.06081	3.1
173.09613	16.3
175.07538	9.4
175.11282	3.2
176.04745	2.9
176.08090	4.5
177.05611	6.3
177.09012	4.0
181.10083	2.3
183.63930	2.3
184.07396	2.9
185.09657	10.2
187.07584	6.9
189.05547	5.4
189.09081	19.2
191.10675	3.3
191.17917	2.7
199.11221	3.9
201.09122	50.1
204.07826	5.0
205.08575	14.0
217.08607	100.0
225.12834	3.0
227.10732	4.4
239.14941	4.3
240.15131	3.2
241.12239	8.3
243.13628	3.6
265.92297	2.9
361.58939	2.3
421.30698	15.3
439.31738	55.6
440.29068	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	439.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01882	1.4
55.05516	15.6
57.03440	8.4
57.07079	1.5
59.05012	4.6
61.02929	1.0
65.03932	3.6
67.05511	100.0
68.05839	1.0
69.03436	3.2
69.07077	4.8
71.04997	4.7
71.52029	1.2
73.02935	0.9
79.05499	14.8
81.03426	31.1
81.07065	28.3
83.04992	6.8
83.08625	16.7
84.08172	0.8
84.62943	0.5
85.02914	18.0
85.06550	4.1
91.05490	22.3
93.07046	10.9
95.04975	13.9
95.08607	9.2
96.24357	0.5
97.02911	2.4
97.06539	2.1
97.10163	2.8
99.08096	1.1
103.05508	0.8
105.04530	0.7
105.07047	14.2
107.04957	2.9
107.08619	5.8
109.02872	0.6
109.06544	2.4
109.10165	70.2
111.04491	1.7
111.08089	9.6
113.06013	1.5
115.05482	0.9
117.07035	2.1
119.04944	0.8
119.08585	15.6
120.08180	0.7
121.06551	1.0
121.10175	4.6
123.08112	1.1
123.11740	1.6
125.06016	1.0
125.09649	0.8
129.07025	5.3
131.08575	6.4
133.06544	1.7
133.10158	4.8
135.11769	1.0
137.09615	4.3
142.07791	1.1
143.08641	0.7
145.10124	1.1
147.08017	1.4
147.11707	8.0
149.09639	3.0
150.55658	0.6
151.11105	0.6
153.01926	0.7
155.10649	5.5
157.10156	6.7
159.08092	0.6
159.11699	0.9
163.11156	0.7
165.12804	2.0
168.06305	0.6
173.11765	15.9
173.13194	1.1
175.11194	7.8
176.14409	1.2
182.96523	0.6
189.09196	0.7
193.12265	33.7
194.12645	1.1
211.13309	35.5
212.13612	1.0
217.72748	0.6
229.14418	2.5
263.16571	1.0
267.09100	1.1
267.15872	3.3
269.12491	1.8
270.12726	1.7
285.09998	0.8
285.16855	0.8
287.05435	0.8
341.71652	0.7
421.26044	1.4
439.26987	56.5
440.27383	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	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01869	2.1
55.05514	14.6
57.03437	8.0
59.05004	4.1
65.03936	2.6
67.05509	100.0
69.03436	2.9
69.07061	3.5
70.04519	4.8
71.04995	5.1
79.05497	11.9
81.03418	31.8
81.07060	28.0
83.04980	6.1
83.08623	18.8
85.02913	19.4
85.06539	3.1
85.71401	1.1
91.05488	18.8
91.11553	1.1
93.07043	11.3
93.45162	0.9
94.63229	1.1
95.04971	13.8
95.08599	9.4
97.06564	2.3
97.10182	2.0
97.56513	0.9
104.12444	1.1
105.07027	11.7
107.04948	2.9
107.08584	6.8
109.06511	3.1
109.10162	68.1
110.93305	1.2
111.04484	1.1
111.08099	8.0
113.06009	2.0
117.07054	1.0
119.08590	14.3
121.10167	4.5
123.08057	1.6
123.11726	1.1
129.07008	5.2
131.08609	7.0
133.06477	1.5
133.10121	5.0
137.09645	3.7
142.07790	1.4
147.08040	2.0
147.11702	8.1
149.09656	3.5
154.63309	1.1
155.10690	10.3
157.10074	7.2
165.12817	1.2
173.11748	15.3
175.11166	5.9
193.12259	33.0
211.11342	2.3
211.13300	33.9
223.76263	1.1
224.81758	1.0
229.14380	2.1
267.16110	1.4
329.20767	1.1
439.26965	64.7
440.27649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2305
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
52.60968	0.4
53.61450	0.4
55.01870	0.7
55.05522	0.8
65.75957	0.4
67.05512	1.5
69.03427	1.1
69.07062	1.6
71.05007	0.5
71.51716	0.8
79.05495	1.0
81.03423	0.8
81.07058	1.9
83.04994	0.5
83.08563	0.4
85.02898	1.3
85.06519	0.7
91.05471	1.6
93.07043	1.6
95.08626	1.3
97.02905	1.0
105.07032	1.4
107.04926	0.4
107.08609	1.8
109.02856	0.9
109.06532	2.1
109.10167	1.6
111.57735	0.4
119.08569	1.6
120.08107	0.5
121.06525	0.4
121.10143	1.3
123.08050	0.8
127.03886	0.7
129.57014	0.5
131.08568	1.0
133.10155	1.2
135.08086	1.9
135.11693	0.6
137.02443	0.6
145.10153	1.0
147.08038	0.7
147.11687	1.0
153.01874	0.7
157.10129	0.5
173.09584	0.5
173.13261	0.7
191.14316	2.8
210.86929	0.5
263.16403	0.8
269.13275	0.5
277.17856	0.5
287.05612	1.3
339.17621	0.5
367.17307	3.8
407.69086	0.5
421.22153	0.6
439.23074	100.0
440.23386	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01867	2.5
55.05510	15.3
57.03440	7.4
57.07066	1.4
59.05006	5.0
65.03930	3.7
67.05505	100.0
68.05840	1.5
69.03429	2.7
69.07079	4.5
69.23415	7.1
71.05006	6.7
79.05492	14.1
81.03420	29.8
81.07059	25.5
83.04984	6.2
83.08148	1.3
83.08621	19.3
85.02907	18.5
85.06545	3.0
91.05485	21.1
93.07055	10.3
95.04974	13.2
95.08609	9.8
97.02887	2.6
97.06519	2.6
97.10162	2.0
98.20772	1.5
99.08090	1.0
105.07034	10.8
107.04948	2.2
107.08580	6.7
109.06512	2.5
109.10160	70.1
110.10522	1.0
111.04473	2.0
111.08105	8.5
113.06026	2.9
117.07014	1.7
119.08585	12.6
119.36794	0.9
121.10141	5.3
123.08105	1.4
123.11720	0.9
124.03423	0.8
129.06998	3.5
131.08606	6.2
133.06512	1.7
133.10127	4.7
137.09637	4.4
142.07819	1.8
145.10124	1.0
147.08037	1.0
147.11688	9.2
149.09621	3.4
155.10669	8.1
157.10115	6.0
165.12733	1.8
165.86537	0.9
173.11751	15.7
175.11163	9.6
175.12346	1.0
175.59113	0.9
182.06357	0.8
193.10460	1.5
193.12248	34.2
211.13292	42.5
229.14389	2.7
267.15976	2.3
324.11700	1.0
348.06821	0.9
439.26907	61.1
440.27261	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	439.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46543	1.2
53.03941	2.6
55.01863	1.6
55.05517	15.9
57.03448	7.2
57.07079	2.3
59.05009	6.2
61.23822	1.3
65.03939	2.8
67.05511	100.0
69.03436	2.6
69.07056	4.1
71.04987	4.4
76.13956	1.2
79.05498	14.0
81.03427	29.9
81.07062	29.5
81.50368	1.1
83.04990	7.0
83.08621	13.3
85.02916	16.7
85.06552	3.9
91.05491	25.0
93.07056	10.8
95.04968	15.2
95.08616	11.4
97.02892	3.1
97.06533	3.0
97.10173	2.1
105.07037	11.0
107.04976	2.6
107.08583	6.5
109.06534	2.9
109.10166	65.8
111.04437	1.5
111.08098	8.7
113.06046	1.4
119.08588	14.2
121.10184	5.9
121.57497	1.2
123.08125	1.5
124.65353	1.3
129.07031	4.5
131.07745	1.4
131.08530	5.9
133.10147	5.2
137.09593	4.4
142.07739	1.2
145.10081	1.6
147.08087	1.4
147.11728	8.0
149.09663	3.2
155.10678	9.6
155.23143	1.2
157.10133	9.6
165.12752	2.4
173.11781	15.0
175.11198	8.5
178.17520	1.2
193.12274	36.6
211.13310	34.7
211.15320	2.1
229.14360	2.6
267.16058	3.2
318.49417	1.2
356.92014	1.3
363.93011	1.4
421.25949	2.3
439.26935	46.8
441.32095	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
55.05504	0.2
57.07073	1.0
57.46354	0.1
57.70393	0.2
58.07378	0.3
59.04967	0.2
65.03949	0.2
67.01843	0.3
67.05495	0.3
68.99777	1.0
69.03398	0.7
69.07044	0.4
69.86391	0.4
69.86806	0.5
71.04981	0.4
79.01846	1.6
79.05458	0.5
81.03397	0.8
81.07017	0.7
85.02869	0.7
85.06496	0.2
87.00780	0.4
91.05463	0.3
92.67195	0.2
93.07024	0.4
95.04952	0.3
95.08575	0.4
97.02866	0.7
97.06517	0.2
97.10177	0.2
98.20783	0.2
104.10693	0.2
105.01835	0.4
105.03354	0.5
105.07019	0.5
107.01297	0.4
107.04945	0.5
107.08557	0.7
109.02885	0.9
109.06479	0.5
109.10131	0.4
111.00798	1.5
111.04420	0.2
111.11695	0.2
115.05463	0.2
117.06996	0.2
119.08572	0.3
121.02873	3.8
121.10135	0.3
125.02328	0.7
127.03889	0.6
128.04158	0.2
129.06972	0.3
131.08510	0.2
133.02795	0.5
133.10091	0.6
135.08032	0.4
137.02353	2.7
137.13208	0.5
138.13582	0.4
141.06937	0.3
143.03404	1.4
145.06454	0.5
147.04442	0.9
147.11673	0.2
151.11079	0.2
153.01836	21.1
153.02924	1.1
153.12711	0.4
154.13109	0.4
155.13115	0.3
155.14319	4.1
156.14655	2.2
157.06471	0.6
157.10033	0.2
159.02892	0.3
161.05949	0.2
165.01830	2.5
169.06398	0.2
171.04384	0.4
173.13245	0.5
173.15326	1.0
174.15665	0.7
183.02910	1.2
185.05965	0.8
191.14334	0.5
197.05923	0.2
203.03481	0.2
203.07098	0.2
213.05473	2.2
229.04919	0.2
231.06558	0.9
237.50742	0.2
241.04942	1.3
243.06493	0.2
258.05170	1.9
259.05972	0.8
269.04544	0.2
277.14102	0.5
287.05499	100.0
288.05905	2.5
303.04932	0.7
409.47626	0.2
439.06641	22.7
439.18265	1.3
439.23376	1.3
440.07068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
55.05504	0.2
57.07073	1.0
57.46354	0.1
57.70393	0.2
58.07378	0.3
59.04967	0.2
65.03949	0.2
67.01843	0.3
67.05495	0.3
68.99777	1.0
69.03398	0.7
69.07044	0.4
69.86391	0.4
69.86806	0.5
71.04981	0.4
79.01846	1.6
79.05458	0.5
81.03397	0.8
81.07017	0.7
85.02869	0.7
85.06496	0.2
87.00780	0.4
91.05463	0.3
92.67195	0.2
93.07024	0.4
95.04952	0.3
95.08575	0.4
97.02866	0.7
97.06517	0.2
97.10177	0.2
98.20783	0.2
104.10693	0.2
105.01835	0.4
105.03354	0.5
105.07019	0.5
107.01297	0.4
107.04945	0.5
107.08557	0.7
109.02885	0.9
109.06479	0.5
109.10131	0.4
111.00798	1.5
111.04420	0.2
111.11695	0.2
115.05463	0.2
117.06996	0.2
119.08572	0.3
121.02873	3.8
121.10135	0.3
125.02328	0.7
127.03889	0.6
128.04158	0.2
129.06972	0.3
131.08510	0.2
133.02795	0.5
133.10091	0.6
135.08032	0.4
137.02353	2.7
137.13208	0.5
138.13582	0.4
141.06937	0.3
143.03404	1.4
145.06454	0.5
147.04442	0.9
147.11673	0.2
151.11079	0.2
153.01836	21.1
153.02924	1.1
153.12711	0.4
154.13109	0.4
155.13115	0.3
155.14319	4.1
156.14655	2.2
157.06471	0.6
157.10033	0.2
159.02892	0.3
161.05949	0.2
165.01830	2.5
169.06398	0.2
171.04384	0.4
173.13245	0.5
173.15326	1.0
174.15665	0.7
183.02910	1.2
185.05965	0.8
191.14334	0.5
197.05923	0.2
203.03481	0.2
203.07098	0.2
213.05473	2.2
229.04919	0.2
231.06558	0.9
237.50742	0.2
241.04942	1.3
243.06493	0.2
258.05170	1.9
259.05972	0.8
269.04544	0.2
277.14102	0.5
287.05499	100.0
288.05905	2.5
303.04932	0.7
409.47626	0.2
439.06641	22.7
439.18265	1.3
439.23376	1.3
440.07068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	5.6
56.05035	9.3
57.03416	2.8
58.99586	15.9
65.03947	3.3
67.05513	3.9
68.05041	5.5
69.67480	12.9
70.02960	7.6
70.06590	2.4
71.04955	2.8
72.04519	9.2
72.08162	2.4
72.23561	2.2
74.00680	14.0
76.02229	20.9
76.04007	9.6
80.05022	6.7
81.05815	3.0
81.96600	2.0
82.06591	3.1
83.06116	9.0
84.04511	97.2
85.01144	35.9
85.02909	3.5
85.04031	4.3
85.06533	2.6
86.00669	36.9
86.99065	66.8
88.02222	3.7
89.00626	5.0
91.05492	7.3
91.49042	2.1
95.04996	5.4
96.04481	3.4
97.01131	7.1
97.06541	25.6
98.00652	5.0
100.02212	5.0
101.06429	2.1
102.03785	14.4
102.05562	13.6
108.04498	3.3
109.07645	2.6
112.02203	30.4
112.03938	3.9
112.07644	3.1
113.06063	2.8
114.03768	15.6
114.05557	5.4
116.01698	24.7
119.04985	10.4
127.02161	6.3
129.06621	5.5
129.75368	2.0
130.03233	16.0
130.05000	28.6
131.01909	2.3
132.01093	2.4
137.08417	6.2
140.01591	3.0
142.03242	20.9
142.05150	1.9
143.02762	35.2
144.01149	5.6
144.04794	3.3
145.06067	5.4
147.04430	50.7
153.01790	4.8
153.06619	3.6
155.08191	5.7
156.06601	3.2
158.02727	8.1
162.02231	14.5
168.04820	3.5
169.04335	8.6
170.02686	3.7
170.06392	8.7
171.02292	4.0
172.07855	2.7
177.03326	5.2
177.92529	2.3
179.04927	9.5
181.06061	2.9
188.03687	2.5
188.07417	7.7
189.03316	100.0
191.84187	2.5
196.04301	10.5
199.07143	2.4
205.06485	7.1
206.08505	3.5
215.04865	47.4
215.06731	4.0
217.06480	14.1
224.03790	3.5
233.05956	10.6
241.06279	2.8
242.95709	2.6
257.09695	6.4
273.09103	4.3
287.06985	19.9
291.10129	32.0
362.10168	6.4
438.15204	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	438.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
53.87417	1.0
55.01870	2.1
55.05507	1.6
57.03443	1.4
66.27613	1.0
67.05509	2.6
69.03424	6.8
69.07076	5.3
70.62280	1.0
70.86270	2.6
71.05000	1.2
71.08638	49.0
73.02909	2.0
80.70376	0.9
81.03441	7.6
81.07059	1.4
81.08594	0.9
83.57945	1.1
85.02909	14.7
87.00847	9.0
95.37227	1.0
97.02902	9.1
99.04462	3.3
99.08101	100.0
100.08426	1.6
105.01862	5.3
109.02914	5.9
127.03928	9.2
129.12766	13.8
145.05002	5.1
155.14331	3.1
159.02878	3.8
173.15390	62.6
231.05006	1.3
241.82021	1.0
257.55374	1.0
392.85165	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.038
Annotation	Unknow
Peak:m/z	Relative Intensity
96.92236	100.0
98.20744	4.1
98.98506	1.8
111.32706	1.7
112.89597	4.5
120.75032	1.6
156.93045	3.0
164.06999	1.8
174.94099	5.1
180.97490	31.2
185.04239	3.8
186.94109	3.4
192.97514	10.0
203.03687	1.7
203.05357	18.0
210.98465	3.5
216.95190	12.3
222.98625	2.3
228.96870	1.8
234.96265	3.8
240.99619	6.6
246.96265	2.3
258.60306	1.5
258.96194	3.6
259.10645	2.2
276.97293	5.9
277.09189	3.5
277.11880	6.7
283.00687	2.5
305.10916	2.1
365.10587	53.6
381.07980	22.1
402.00522	1.7
407.05753	2.5
438.52969	1.8
439.08414	85.3
439.13800	21.1
440.08658	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	437.3415
Annotation	Petrosiacetylene D
Peak:m/z	Relative Intensity
55.01877	0.2
55.05511	0.9
57.07070	0.5
65.03929	0.2
67.05509	1.7
69.03425	0.4
69.06725	0.2
69.07068	2.3
70.69448	0.3
71.08611	0.2
73.53410	0.1
79.05495	0.9
81.07061	2.8
83.08636	0.7
89.06020	0.5
91.05490	1.0
93.07059	1.8
95.04964	0.4
95.08613	4.8
97.05957	0.1
97.06509	0.8
97.10149	0.3
105.06396	0.2
105.07034	1.9
107.08604	3.0
109.06544	0.7
109.10162	3.1
111.08098	0.3
111.11744	0.7
117.06985	0.5
119.08595	2.4
121.06496	0.5
121.10152	2.5
123.08091	0.6
123.11707	1.3
125.09684	0.2
128.06248	0.2
129.07010	0.3
131.08563	1.7
133.08607	0.2
133.10139	2.1
135.08034	0.8
135.11688	1.2
137.09599	0.6
137.13216	0.9
142.07866	0.2
143.08546	0.8
144.09354	0.4
145.06573	0.2
145.10133	3.2
147.08075	0.4
147.11671	1.1
149.09607	1.0
149.13251	0.6
155.08560	0.3
155.10657	0.2
156.09406	0.2
157.10130	1.1
158.10893	0.9
159.08102	0.3
159.11681	2.3
161.09644	0.3
161.13257	1.5
163.11244	0.3
163.14821	0.8
169.10150	0.4
170.10953	0.4
171.08078	0.3
171.11694	1.1
172.12442	0.2
173.09692	0.7
173.13263	5.7
174.13698	0.2
175.11227	0.5
175.14851	0.6
177.11371	0.1
177.12827	0.2
177.16391	0.3
182.10883	0.3
183.11662	0.6
184.12453	0.2
185.09677	0.7
185.13249	1.7
187.11212	0.4
187.14830	3.2
189.12788	0.5
189.16414	0.3
191.17969	1.0
195.11690	0.4
197.13309	0.6
198.10413	0.2
199.11232	0.3
199.14882	0.9
201.12643	0.3
201.16437	0.2
203.14297	0.6
203.18004	0.4
205.15923	1.0
207.11777	0.2
209.13167	0.2
211.14838	0.5
213.12733	2.3
213.16319	0.4
214.13496	0.2
215.14319	2.1
215.17935	0.4
217.12296	0.2
219.17320	0.2
221.13234	0.2
223.14812	0.4
225.12834	0.3
225.16452	0.4
227.14297	0.9
227.17888	0.2
229.15865	0.2
231.13785	1.3
231.17505	0.4
233.13252	0.2
233.15416	0.4
239.14522	0.2
239.18060	0.3
241.15933	0.3
251.14215	0.3
252.14890	0.2
253.15659	0.2
255.17325	0.2
257.18829	0.2
259.20636	0.2
263.17975	0.2
264.18204	0.2
269.15424	0.2
271.70578	0.2
277.19513	0.2
281.19034	0.5
283.20593	0.4
299.20181	0.3
307.24384	0.2
324.69531	0.1
348.82748	0.2
367.25977	0.2
389.28308	0.4
393.31369	0.3
401.32065	0.4
407.29181	0.3
419.33136	1.9
437.34174	100.0
438.34506	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3051
Annotation	Isoiguesterol
Peak:m/z	Relative Intensity
53.03929	4.0
55.01868	2.2
55.05504	12.5
57.03445	13.8
57.07072	3.1
65.03938	3.0
67.05506	41.6
69.03431	2.0
69.07067	9.7
71.52037	1.8
72.04513	7.3
76.42659	1.6
79.05492	30.0
81.03424	2.2
81.07059	44.7
83.04969	2.2
83.08615	5.3
85.06506	1.7
91.05481	23.1
93.07056	37.4
95.04961	4.5
95.08059	2.8
95.08613	35.0
97.06514	2.1
97.10160	3.9
105.07040	38.7
105.31419	1.6
107.08597	21.1
109.06508	3.0
109.10153	21.8
117.07008	7.1
119.08607	15.7
121.06525	2.8
121.10170	13.8
123.04423	15.1
123.11733	6.7
128.06212	6.5
128.55415	1.7
129.06995	5.3
130.07770	3.0
131.08572	10.1
133.06477	7.1
133.10132	11.2
135.08060	2.8
135.11703	19.3
137.05972	18.6
137.13190	1.9
141.07053	2.4
142.07770	2.8
143.08607	8.6
145.06512	11.7
145.10132	11.3
147.08055	5.5
147.11699	6.0
149.05966	2.9
149.09616	2.2
149.13252	9.2
155.08566	4.3
157.06473	3.8
157.10153	4.1
159.07997	3.8
161.05988	10.1
161.09612	3.1
161.13251	3.1
163.07520	8.2
163.14789	2.2
165.09105	7.1
167.08522	2.1
169.10112	3.6
170.00397	2.0
171.08052	4.3
171.11670	3.4
173.05960	2.4
173.09663	11.7
173.13254	2.4
175.07492	4.9
175.11217	3.8
175.14810	1.7
177.05365	1.9
177.09129	3.6
181.06586	1.8
181.10123	1.8
183.08133	4.1
185.09608	8.7
185.13263	2.4
187.07558	5.4
187.11153	3.6
189.09106	15.6
189.12749	1.7
191.07069	1.9
191.10699	7.6
193.08632	2.3
195.07979	2.0
195.11659	1.8
197.09550	3.6
197.13243	1.7
199.07512	3.3
199.11375	3.0
201.09102	19.1
203.10706	4.2
207.10120	3.7
209.09598	2.6
211.11163	2.1
213.09129	3.1
213.12680	2.4
215.10728	1.7
216.53764	2.2
217.08629	23.1
219.10173	16.6
225.09087	2.8
225.12721	2.3
227.10725	3.3
227.18105	2.6
239.10689	2.1
239.70950	1.9
241.12109	3.9
243.31113	1.8
253.12172	2.0
255.13583	1.8
323.19659	1.7
353.24887	1.9
363.26910	2.0
365.24628	4.0
377.24576	2.0
379.26285	5.2
381.27841	4.4
401.28299	3.6
409.31329	15.2
419.24277	2.3
419.29462	37.9
437.30380	100.0
438.30902	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	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.3
57.07052	0.7
62.37846	0.5
63.55630	0.5
66.49662	0.5
67.05513	2.7
69.07062	2.5
71.51339	0.6
71.51785	0.7
77.56634	0.7
79.05489	1.3
81.07068	2.9
83.08612	0.9
89.06026	1.0
91.05490	1.0
93.07038	1.7
95.05022	0.8
95.08624	5.0
97.06544	0.7
97.26308	0.6
105.07056	1.9
107.08594	3.7
108.25755	0.5
109.10181	3.4
111.11659	0.7
116.53465	0.6
119.08604	2.8
121.10144	2.6
123.11740	1.0
131.08606	1.3
133.10135	2.6
135.11655	1.4
137.13274	0.7
139.62041	0.6
143.08487	0.7
145.10143	3.6
145.37430	0.6
147.11699	1.1
149.09686	1.0
150.45842	0.5
157.10143	1.7
158.10847	0.8
159.11752	1.9
161.13358	0.6
167.10764	0.6
171.11714	1.4
173.11827	1.1
173.13235	5.4
185.13281	1.4
187.14807	3.2
191.17928	0.8
197.13359	0.8
199.14780	1.0
202.30814	0.6
205.15918	0.7
211.14934	0.9
213.12813	2.1
215.14362	1.9
231.13840	1.2
239.14885	0.8
263.18192	0.6
349.25235	0.7
419.33310	2.1
437.34192	100.0
438.34476	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	437.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01867	6.1
55.05270	1.1
55.05515	17.7
57.03427	3.8
57.07061	1.6
59.05017	4.7
59.05278	1.3
65.03942	1.8
66.65706	0.8
67.05509	100.0
69.03429	1.6
69.07073	4.6
69.93955	4.3
71.01337	1.2
71.05006	5.7
77.84748	0.7
79.05069	1.5
79.05497	18.3
81.03430	6.7
81.06592	1.6
81.07059	31.3
83.01348	4.4
83.04998	8.9
83.08219	1.0
83.08630	10.5
83.45315	0.8
85.02918	1.7
85.06525	3.0
91.05491	18.2
93.07048	21.0
94.67464	0.8
95.04959	5.2
95.08614	10.4
97.02883	1.5
97.06529	3.6
97.10176	1.7
98.21429	1.2
99.04442	1.4
105.07036	8.2
107.04945	4.3
107.08601	10.5
109.06532	4.6
109.10162	65.3
110.10505	1.7
111.04446	3.5
111.08079	4.3
117.07009	4.6
119.08582	10.6
121.06506	2.3
121.10152	4.7
123.08085	5.6
123.11697	1.9
125.09618	2.1
129.07019	1.7
130.07793	1.5
131.08583	3.2
133.10123	2.7
133.56265	0.9
135.08047	2.3
135.11708	9.1
137.09657	3.9
143.08504	1.0
145.10129	10.7
147.08066	1.6
147.11700	1.2
148.93739	0.9
149.09691	0.9
149.13261	0.9
153.12762	2.9
155.10638	4.6
163.03896	1.6
163.11186	18.1
164.04224	1.3
173.09633	3.2
173.11758	18.5
181.12202	3.7
183.93425	1.0
184.77734	0.8
191.10689	2.2
193.12344	1.1
207.06586	2.0
208.06841	1.4
209.11731	6.8
227.12804	4.7
256.26297	1.2
257.26767	1.5
260.25983	0.9
314.61264	0.9
437.25256	39.5
437.30414	3.6
438.25604	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01829	3.8
53.03949	8.7
55.01868	7.4
55.05511	5.6
57.07079	4.5
65.03943	3.8
67.05505	18.0
69.03430	22.1
69.07067	9.1
69.97492	14.4
71.04996	8.3
79.05489	16.5
81.03412	20.0
81.07055	49.8
85.02910	40.7
87.00818	17.4
91.05493	24.1
93.07044	100.0
95.04993	8.6
95.08611	31.3
97.02884	21.3
99.04449	8.2
105.01851	9.5
105.07035	12.4
107.08600	61.6
109.02869	14.7
109.10163	16.0
117.01822	4.8
118.28362	3.7
119.08601	7.9
121.10236	4.7
127.03914	25.9
135.11691	81.6
137.09567	5.7
137.13243	25.1
145.05005	14.4
145.10118	4.5
153.01845	11.2
153.12819	10.4
159.02921	7.8
165.12798	4.4
191.03490	4.5
231.04962	4.8
293.06323	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	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
53.99124	2.2
55.01863	3.3
55.05513	2.7
57.03426	2.5
61.02936	2.7
65.27749	2.1
67.05505	2.8
69.03431	12.8
70.04913	10.3
71.04974	4.2
79.05495	21.4
81.03432	13.5
81.07043	9.8
84.08114	2.2
85.02913	29.2
87.00819	9.7
91.05471	6.4
93.07043	40.9
95.04959	3.7
95.08591	6.7
97.02906	19.4
99.04454	7.6
105.01880	17.8
105.06979	4.3
107.08600	31.4
109.02870	9.7
109.06516	2.7
109.10156	3.6
110.06067	3.5
119.08562	3.4
121.06485	2.6
127.03928	24.1
129.89796	2.0
133.10129	3.1
135.11699	100.0
135.12735	4.9
138.05460	3.1
140.28409	2.1
145.04979	13.2
153.01811	4.1
153.12723	4.7
159.02928	5.2
167.07054	3.2
208.19373	2.2
210.42293	2.0
231.05058	4.0
244.09509	3.0
245.09769	3.0
251.04755	2.0
261.14929	2.5
274.07645	2.1
278.82306	2.0
278.94656	1.9
304.01672	2.4
418.15811	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.2
55.01876	4.8
55.05515	1.7
56.06252	0.8
57.03437	4.7
61.02914	4.3
67.05525	1.8
68.99776	2.2
69.03086	1.2
69.03436	16.8
69.07060	2.6
69.53802	5.2
71.04987	2.7
73.02930	5.7
77.03926	1.1
79.05499	24.0
79.21820	0.7
81.03419	19.0
81.07057	9.1
85.02910	49.6
87.00835	23.5
91.03957	1.3
91.05486	6.8
93.07049	43.1
95.04975	2.3
95.08593	2.6
97.02898	29.3
97.03529	1.5
98.20809	1.9
99.04453	8.7
105.01870	31.7
105.07035	2.4
105.81346	0.7
107.08600	32.4
107.39343	0.9
109.02888	16.5
109.10149	0.9
111.04433	1.2
115.03964	1.1
117.01869	3.2
119.08578	1.0
121.02878	0.9
127.03924	43.2
129.01833	3.0
131.08521	0.9
133.10133	2.5
135.11699	100.0
136.12019	1.2
137.13245	2.9
145.04958	28.4
147.02914	1.4
153.12776	2.6
159.02910	14.1
172.23244	0.7
177.04022	1.0
177.12735	0.9
199.09418	0.8
213.03949	1.4
225.79539	0.7
231.05005	12.5
243.71466	0.9
249.06117	3.5
257.44223	0.8
261.15021	1.6
272.06409	4.1
273.06616	3.3
274.06851	5.2
279.16092	1.4
336.90854	0.8
365.15826	1.1
383.16660	1.6
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
53.03937	10.4
55.01854	4.3
55.05508	8.1
57.03439	5.9
57.07077	4.8
67.05517	18.1
69.03429	19.2
69.07058	12.3
70.06536	3.7
70.61743	3.4
70.80167	6.9
70.80508	4.6
71.04974	6.5
73.02904	3.8
78.83602	4.0
79.05502	11.3
79.15561	3.5
79.76325	2.9
81.03429	16.3
81.07060	52.6
81.60411	3.0
85.02913	42.7
87.00838	22.1
91.05489	27.3
93.07047	100.0
95.04965	3.8
95.08610	31.9
97.02890	22.0
97.06542	3.0
99.04448	9.1
105.01857	14.5
105.07022	8.5
107.08602	61.0
109.02870	21.4
109.10144	14.4
119.08608	5.1
121.10121	4.2
127.03922	32.1
135.11700	87.6
137.13257	34.0
145.04941	13.0
150.05522	3.9
151.05745	3.8
153.01836	13.1
153.12799	8.9
159.02917	11.4
231.05083	5.4
256.70380	3.5
359.05103	4.0
402.85577	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	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
69.03419	1.2
69.07059	1.7
70.95914	2.1
71.04985	10.9
73.06563	3.5
76.32352	0.9
79.05497	2.4
81.03423	1.4
81.07056	18.3
82.88004	1.0
85.02893	4.0
87.00799	2.0
91.05467	1.6
93.07050	10.4
95.08571	1.6
97.02875	1.5
105.01868	2.6
107.08601	9.0
109.02892	1.1
127.03870	1.3
135.11696	19.7
142.31256	1.2
148.92407	0.9
153.12755	100.0
154.13026	1.6
159.02846	1.2
167.06381	0.9
210.71716	0.9
219.83926	0.9
223.43300	1.0
231.04904	1.1
284.74774	1.0
292.11325	1.0
334.99771	1.0
368.81598	0.9
401.98972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19411	2.8
53.03946	6.3
55.01863	5.9
57.03417	5.3
61.02903	3.1
69.03429	21.2
69.07047	3.1
70.85099	6.6
70.85438	2.7
71.04982	2.8
73.02898	6.9
75.67193	2.8
79.05501	22.1
81.03426	19.3
81.07056	9.7
81.76573	2.7
85.02903	47.9
87.00835	27.5
91.05471	7.2
93.07050	49.6
95.08607	3.8
97.02905	32.7
97.41878	2.8
99.04459	9.3
105.01870	34.2
107.08594	33.8
109.02866	15.4
127.03926	37.1
135.11707	100.0
137.13242	5.4
145.04982	24.3
159.02878	9.5
231.05009	9.1
249.05963	3.8
400.42764	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	436.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
54.61908	0.7
55.01880	1.0
55.05511	0.7
56.05039	0.7
57.03445	0.8
58.99587	1.6
59.05011	1.0
60.04531	1.9
67.05510	1.8
67.20662	0.7
68.05033	0.7
69.03434	1.9
69.07083	0.8
69.18983	0.7
70.02948	5.5
70.06590	2.2
70.31821	1.4
70.32185	1.3
71.04997	100.0
72.08156	0.8
74.00650	1.1
74.02438	1.4
76.03994	3.4
79.05506	2.0
81.03419	1.8
81.07053	9.3
83.39096	0.6
84.04505	6.1
85.02915	2.8
88.71466	0.6
95.08606	1.1
97.02912	1.2
97.06549	2.0
99.04499	0.8
99.05593	2.0
101.04275	1.1
102.00132	3.2
109.02910	2.0
109.10159	0.8
110.82097	0.6
112.02203	0.7
112.07655	0.9
113.09652	47.7
114.05545	1.7
114.10020	0.6
115.03960	0.8
116.03476	1.5
116.92051	0.6
127.03975	0.8
130.05032	3.7
142.05022	1.9
143.03468	0.9
145.04945	1.8
145.06087	30.9
153.01839	11.6
153.02980	1.2
154.06836	6.8
156.08559	1.1
161.05647	3.6
172.07912	3.2
177.03299	3.2
183.04848	1.0
185.03769	1.1
189.82060	0.7
197.05681	0.8
200.07430	11.9
200.09145	0.9
203.30013	0.7
210.11276	8.5
256.09204	1.0
257.09595	12.6
258.01355	0.7
269.04828	0.6
274.07480	0.7
274.10599	1.7
276.02469	1.0
303.01285	3.2
304.01675	7.9
386.13794	5.2
404.15186	1.1
409.76630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2747
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03958	4.3
55.01873	1.9
55.05516	13.3
57.03436	3.0
57.07060	0.9
57.23118	1.0
59.04993	2.9
60.79255	0.9
60.96490	0.8
65.03932	3.7
67.05509	100.0
69.03423	1.3
69.07063	6.3
69.82249	3.8
71.04983	3.1
73.06557	1.5
77.03912	0.9
79.05499	39.0
79.68713	0.9
81.03415	5.5
81.07064	32.4
83.04991	6.5
83.08620	7.2
85.06550	4.0
91.05484	35.9
92.60097	0.9
93.06483	1.9
93.07052	31.3
95.04968	10.9
95.08620	16.4
97.06530	2.5
97.10170	2.8
98.20818	1.3
102.70261	0.9
105.04528	1.4
105.07040	23.2
107.04961	2.7
107.08604	11.8
109.06525	5.2
109.10165	55.3
111.08089	4.1
115.05429	1.2
117.07030	4.0
119.08591	13.4
119.09372	1.3
119.22593	0.8
121.06509	2.4
121.10138	3.3
123.08088	3.3
124.79868	0.9
125.09665	1.4
128.06223	2.3
129.07021	8.4
131.08577	3.4
133.10175	5.7
135.08069	1.2
135.11687	2.7
137.09634	2.0
143.08574	3.9
145.10143	5.9
147.08087	1.5
147.11697	17.3
147.12794	1.2
155.10678	4.8
159.11790	1.3
161.09697	1.7
161.13277	7.0
171.11707	13.8
173.11758	10.6
179.08623	1.3
189.12735	6.1
207.13809	15.2
211.13274	1.5
225.14948	1.3
229.14471	1.1
281.17444	1.1
315.23077	1.0
343.22751	1.0
435.27502	45.4
436.27750	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	436.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
54.61908	0.7
55.01880	1.0
55.05511	0.7
56.05039	0.7
57.03445	0.8
58.99587	1.6
59.05011	1.0
60.04531	1.9
67.05510	1.8
67.20662	0.7
68.05033	0.7
69.03434	1.9
69.07083	0.8
69.18983	0.7
70.02948	5.5
70.06590	2.2
70.31821	1.4
70.32185	1.3
71.04997	100.0
72.08156	0.8
74.00650	1.1
74.02438	1.4
76.03994	3.4
79.05506	2.0
81.03419	1.8
81.07053	9.3
83.39096	0.6
84.04505	6.1
85.02915	2.8
88.71466	0.6
95.08606	1.1
97.02912	1.2
97.06549	2.0
99.04499	0.8
99.05593	2.0
101.04275	1.1
102.00132	3.2
109.02910	2.0
109.10159	0.8
110.82097	0.6
112.02203	0.7
112.07655	0.9
113.09652	47.7
114.05545	1.7
114.10020	0.6
115.03960	0.8
116.03476	1.5
116.92051	0.6
127.03975	0.8
130.05032	3.7
142.05022	1.9
143.03468	0.9
145.04945	1.8
145.06087	30.9
153.01839	11.6
153.02980	1.2
154.06836	6.8
156.08559	1.1
161.05647	3.6
172.07912	3.2
177.03299	3.2
183.04848	1.0
185.03769	1.1
189.82060	0.7
197.05681	0.8
200.07430	11.9
200.09145	0.9
203.30013	0.7
210.11276	8.5
256.09204	1.0
257.09595	12.6
258.01355	0.7
269.04828	0.6
274.07480	0.7
274.10599	1.7
276.02469	1.0
303.01285	3.2
304.01675	7.9
386.13794	5.2
404.15186	1.1
409.76630	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2745
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03947	4.3
55.01867	2.9
55.05516	17.5
57.03434	5.7
57.07057	1.2
59.04991	3.4
65.03928	4.8
65.78644	1.0
67.05511	100.0
69.03454	1.1
69.07075	8.9
71.04990	4.6
73.06564	1.3
79.05501	42.3
81.03437	7.7
81.06590	1.9
81.07065	37.5
82.07396	1.0
83.04971	8.9
83.08610	7.8
85.02880	1.2
85.06531	3.6
91.05491	37.7
93.07053	36.4
95.04980	16.2
95.08613	16.2
97.06522	4.4
97.10163	3.7
99.08069	1.1
101.51173	1.1
105.07040	24.3
107.04996	6.5
107.08606	15.2
109.06537	5.9
109.10169	52.0
111.08080	3.1
115.05529	1.2
117.07008	7.4
119.08593	16.2
121.06499	3.3
121.10144	4.2
123.08076	3.2
123.11744	1.8
125.09636	3.0
128.06227	2.2
129.07013	10.9
131.08598	4.4
133.10176	9.9
135.08080	2.8
135.11681	6.6
137.09596	1.9
143.08585	4.5
145.10130	7.4
147.08020	2.1
147.11705	17.9
155.10663	5.0
157.10204	1.8
159.11737	2.4
161.09656	3.0
161.13260	6.5
163.11244	2.3
171.11684	14.3
173.11771	10.4
173.13213	1.8
181.12123	1.7
189.12753	5.4
195.30269	1.1
205.12138	1.5
207.13821	12.4
211.13176	1.4
225.14977	2.2
303.01355	3.0
312.33810	1.2
315.23315	2.5
325.21542	2.7
326.42310	1.4
343.22775	8.7
361.23657	1.6
417.26373	6.7
435.27469	47.6
435.33273	2.6
436.28021	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	435.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76066	1.9
53.03914	2.7
55.05500	2.8
56.96614	1.9
61.02903	2.6
61.33872	2.0
65.03942	2.9
67.05511	6.2
69.03426	7.7
69.07053	2.2
70.06584	2.0
71.51532	3.0
73.02893	2.6
79.05487	5.0
81.03430	7.5
81.07060	8.2
85.02899	14.1
91.05492	7.0
93.05781	6.8
93.06992	5.0
94.06604	4.6
95.04958	4.1
95.08606	5.3
97.02913	5.0
105.07034	4.6
106.06580	2.2
107.04939	3.2
107.07307	2.7
108.08123	24.2
109.02866	2.5
109.10196	3.1
117.03364	4.8
119.08614	2.9
120.08074	3.7
121.02841	7.1
121.10149	2.6
122.06020	2.1
124.07595	2.2
125.05957	1.9
127.03915	3.9
128.93294	2.1
131.08525	3.0
132.04463	13.3
132.07988	3.3
135.04401	9.5
136.07585	55.2
137.02339	48.4
138.05527	2.4
144.08066	4.5
145.02843	4.2
146.09695	3.1
148.07581	6.9
150.05548	2.6
153.01837	6.8
156.08078	2.8
157.07591	2.6
160.03972	7.3
163.03914	38.6
164.07059	7.0
167.07140	4.5
169.07712	2.9
172.07567	3.2
174.09052	2.5
178.05016	4.1
181.04912	5.2
181.06320	3.2
182.08279	2.5
183.09184	7.0
184.07489	3.4
184.09915	2.7
190.04884	2.7
193.07629	4.4
194.08344	3.9
195.09178	6.0
197.10754	4.5
207.09074	3.0
208.06279	3.7
209.10762	10.1
210.07816	4.0
211.08698	11.2
212.09410	2.9
213.10225	5.5
222.07988	3.7
223.08742	6.3
224.09459	7.7
225.06589	13.5
225.10136	10.4
226.11026	3.0
227.11804	4.2
231.11295	4.7
235.08722	3.2
236.09567	3.6
237.10242	13.5
238.07375	3.5
239.08142	4.4
240.08955	2.7
241.09795	11.9
242.10342	3.1
243.11356	4.9
251.08217	7.6
252.08957	5.5
253.09746	8.0
255.06538	9.7
255.11322	15.9
256.08411	6.5
257.09180	10.6
258.05246	3.0
259.10828	40.5
259.14398	4.0
263.08163	4.8
265.09738	13.0
269.09268	6.8
273.07574	87.0
274.08005	2.7
279.07712	10.5
280.08420	17.0
281.09222	7.4
282.09805	3.4
283.10803	17.4
287.10471	5.7
287.13943	6.9
293.09143	15.0
297.08716	2.3
297.12161	4.3
303.01367	9.2
308.07764	3.4
309.08688	2.9
311.10300	57.2
312.10892	2.9
315.13406	22.0
319.60229	2.3
321.08719	8.8
325.11868	6.7
337.00873	2.2
339.09811	46.1
340.10574	3.7
343.12915	43.8
353.11298	8.0
371.12402	100.0
372.12628	2.8
375.15421	6.3
385.13879	8.5
403.15015	73.3
417.15710	2.3
435.32947	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1654
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03933	2.8
55.01873	2.4
65.03952	7.6
67.05504	4.3
69.03418	7.0
69.07053	1.6
69.49137	1.5
71.05005	2.2
71.06527	3.8
79.05511	8.9
81.03432	4.3
81.07059	2.6
82.04198	3.4
85.02922	10.4
91.05476	4.9
93.07038	4.0
95.04966	4.2
95.08594	3.1
97.02874	2.1
97.06536	2.7
100.11241	3.0
105.07033	2.9
107.04973	20.3
107.08635	1.6
108.02081	2.3
109.02909	1.8
109.10155	1.9
110.03729	2.6
111.04413	2.2
115.05445	5.2
117.07018	5.5
119.04951	2.9
121.02873	16.7
121.10167	2.1
123.04430	4.1
124.05219	3.2
125.06000	3.5
127.03962	8.0
128.06210	1.9
129.07001	4.8
131.04897	2.7
131.08597	3.9
133.06389	2.2
137.02376	1.7
137.05971	2.4
141.06921	1.5
141.42889	1.7
144.05685	4.7
145.06468	8.7
147.04405	12.8
147.08098	2.3
151.07547	1.9
153.01846	33.5
153.05484	4.6
155.06006	3.2
157.06470	3.5
159.08041	4.2
161.06009	4.0
167.07043	46.6
167.08443	2.6
171.06589	3.4
172.05208	10.6
173.05959	6.3
175.07523	2.1
181.04968	100.0
182.15427	1.5
187.07550	6.4
189.05476	3.4
190.06210	2.0
200.04698	3.6
201.05492	6.5
205.08585	3.9
206.05782	3.8
207.10056	2.3
209.08102	1.8
218.05736	6.0
219.06464	2.0
219.10216	4.9
221.08093	6.9
231.06453	2.8
233.08093	61.3
245.08015	2.0
251.09186	3.6
263.09152	9.6
264.07794	2.0
273.07562	24.5
283.46881	1.8
303.01300	4.6
311.12637	2.0
323.08725	1.7
339.12106	2.2
346.84537	1.6
355.11743	3.2
367.11575	3.9
387.14496	9.4
399.14542	3.3
403.11450	2.4
416.18420	2.1
417.15451	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	435.0561
Annotation	Ellagic acid-4-O-beta-D-xylopyranoside
Peak:m/z	Relative Intensity
57.03440	1.6
61.02909	0.5
69.03431	2.1
70.06601	0.3
71.04987	0.2
71.06151	0.4
72.08151	0.2
73.02921	3.6
79.05476	0.3
81.03403	0.2
81.07035	0.4
81.47379	0.2
85.02894	0.6
86.09672	0.2
91.05445	0.4
93.07006	0.2
95.04943	0.2
97.02296	0.2
97.02894	2.4
105.07011	0.2
115.03923	1.8
119.04910	0.3
121.02859	0.5
123.04436	0.7
123.52244	0.2
127.03932	0.2
128.25014	0.2
130.06607	0.2
133.10031	0.2
145.02826	0.3
147.04387	0.5
150.84428	0.1
153.01852	0.4
153.57219	0.1
157.02792	0.2
161.02370	0.2
163.03877	0.4
169.05995	0.2
172.65620	0.2
173.02370	1.2
175.03908	0.4
185.02327	0.4
189.01941	0.2
191.03432	0.6
201.01825	2.9
203.03368	0.8
207.02933	0.3
213.01848	0.8
217.01334	0.6
219.03026	0.8
229.01315	3.4
231.02887	1.4
241.01343	0.8
242.21521	0.2
247.02379	3.4
257.00812	11.1
258.00943	0.2
259.02335	1.5
275.01862	10.4
283.40707	0.2
285.00308	9.1
286.00830	0.3
303.01343	100.0
304.01645	1.8
435.05411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0926
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01866	1.1
57.03436	6.6
60.11709	0.5
60.25893	0.5
61.02916	2.1
65.03956	0.7
69.03418	1.5
70.06600	0.9
70.49252	0.5
72.79819	0.5
73.02924	13.6
79.05487	1.0
81.03410	1.2
81.07044	1.4
85.02888	2.2
90.89819	0.6
91.05468	1.0
93.07047	1.6
95.05003	0.9
97.02883	0.9
97.06525	0.6
105.07011	1.0
107.04981	1.1
107.08572	1.0
109.02852	1.1
111.00803	1.0
111.60941	0.5
115.03927	1.7
117.07050	0.7
121.02872	8.2
121.04101	0.6
123.08023	0.6
125.02412	0.6
127.03849	0.8
133.06456	0.5
133.10075	0.7
137.02342	3.4
137.05910	0.8
149.06042	0.7
153.00716	1.0
153.01842	10.0
153.03011	1.2
163.03900	1.3
165.01860	2.7
167.07016	1.1
169.08606	0.7
171.35956	0.5
173.05890	0.6
181.04971	1.8
183.02866	1.4
201.05440	3.1
227.29709	0.5
229.04941	5.5
233.08008	1.1
248.53181	0.5
255.07144	0.7
257.04388	3.1
273.12372	0.9
274.04483	0.8
275.05569	0.6
285.03918	1.5
303.04993	100.0
304.05325	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	435.1292
Annotation	Lecontin
Peak:m/z	Relative Intensity
51.48084	1.2
52.23926	0.9
53.03932	1.3
55.01874	1.2
65.03934	1.2
69.03439	3.1
70.06601	2.4
70.85387	2.6
79.05487	1.3
81.03424	5.5
81.46665	1.2
85.02917	4.4
91.05512	1.3
95.04988	5.3
107.04963	30.6
109.02896	1.6
115.66148	1.2
119.04984	2.9
121.02893	2.0
123.04413	6.3
127.03939	2.2
133.10204	1.5
135.04439	2.2
137.02353	79.9
147.04440	1.3
151.03937	4.8
153.01843	2.4
153.07007	2.9
157.06523	1.3
163.03897	1.2
171.08015	1.5
179.03398	9.4
181.06470	10.3
198.97037	1.3
199.07556	100.0
200.07990	2.3
227.07043	48.2
228.07419	1.2
255.06561	25.7
257.00952	1.1
273.07614	53.1
273.12039	7.2
274.07880	2.1
303.01437	5.2
375.17621	1.1
435.17676	1.9
435.23260	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	435.1288
Annotation	Chalconaringenin 4-glucoside
Peak:m/z	Relative Intensity
53.03953	4.4
55.01877	3.9
55.05530	2.5
57.03433	10.3
61.02926	4.2
65.03915	1.7
67.05516	1.9
68.99809	3.7
69.03437	17.3
70.06590	5.5
71.04997	48.2
71.51048	1.9
71.67551	2.0
72.05326	10.5
73.02908	5.2
75.04456	3.4
79.05482	2.8
80.32458	1.9
81.03407	10.6
83.04976	6.2
85.02911	100.0
86.03240	14.4
87.04482	2.8
89.46334	1.8
91.05490	14.4
92.05824	7.5
93.07023	2.5
95.04981	7.7
97.02897	18.8
99.04448	3.2
105.07024	5.2
107.04959	83.9
109.02885	8.5
111.04439	4.6
119.04938	32.9
120.08115	4.8
121.02902	5.3
123.04434	21.9
123.08047	2.2
125.09641	1.8
127.03932	16.0
128.04321	2.3
129.05470	23.2
130.05795	9.7
131.04910	3.7
133.06519	5.9
135.04370	2.3
139.03911	46.2
145.04935	6.7
145.06493	5.1
147.04419	20.0
147.06477	10.5
148.06860	4.7
149.02348	5.4
149.05946	4.0
151.03963	13.7
153.01868	9.3
155.03360	4.8
157.06587	2.4
161.05981	5.2
162.88368	2.3
163.03893	3.5
167.03429	3.5
171.04399	2.6
179.03377	2.3
181.05038	2.8
181.06598	2.3
189.05482	3.6
199.07556	3.2
215.07132	2.3
231.06560	4.7
233.07950	3.0
243.06543	4.8
245.08138	8.1
255.06522	8.6
257.08093	12.8
273.07605	28.2
273.12283	2.4
303.01294	19.8
424.09152	2.4
435.12607	3.5
435.18213	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1502
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
53.03952	5.3
54.83055	2.5
55.01880	3.1
57.03437	4.2
59.47044	3.1
64.23385	2.4
69.03419	8.5
70.06576	5.4
70.87458	2.7
71.04968	4.5
71.51425	3.2
72.08139	3.7
73.02926	2.8
79.01859	3.6
81.03432	7.9
85.02907	17.0
91.05482	4.4
95.04961	3.9
97.02906	7.6
107.01372	2.8
107.04992	14.1
109.02888	10.2
111.04449	7.2
119.04935	8.0
121.02856	3.5
121.06523	3.4
123.04442	55.3
125.02345	3.4
127.03930	11.4
133.10127	3.8
135.04475	13.9
137.02336	13.4
139.03909	13.8
143.03389	3.3
147.04430	11.1
151.03909	7.7
152.05643	3.0
153.01846	100.0
153.02922	4.4
154.05534	2.6
163.03917	19.7
167.07083	3.1
171.02869	6.4
175.03868	4.1
177.05516	4.9
199.07587	17.6
205.05052	2.9
217.01350	2.6
227.07092	7.8
245.04333	2.8
253.89648	2.9
255.06638	8.3
273.07556	10.9
285.07654	5.3
303.01282	26.7
315.07452	8.9
406.90717	2.8
435.13321	4.9
435.18304	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	434.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63502	5.9
55.05526	32.0
57.07085	14.1
59.05003	67.7
59.79573	6.1
61.62166	5.7
67.05505	15.1
69.07065	17.7
71.05002	6.7
71.19373	5.8
73.32040	6.1
77.34841	5.5
77.58307	6.5
79.05527	29.1
81.07054	28.0
84.84161	6.4
85.06554	85.4
89.06048	6.9
91.05495	46.8
93.07050	51.7
95.04967	11.1
95.08604	28.3
99.08099	7.9
105.07039	73.4
107.08608	46.5
109.06515	32.7
109.10154	23.1
111.08076	7.5
113.71034	6.1
114.51865	5.7
117.05801	6.1
117.07037	23.4
119.08580	96.2
121.06537	5.2
121.10162	27.2
123.08070	38.3
125.09617	34.5
128.06233	11.8
129.06999	22.1
130.07858	6.4
131.08560	52.7
133.10120	40.2
135.08038	24.5
135.11725	8.0
137.09581	15.2
138.10391	17.2
141.06975	11.3
142.07808	20.9
143.08594	43.4
144.09447	8.2
145.10130	68.3
147.08047	14.5
147.11714	22.1
149.09651	19.5
150.10374	7.8
151.11194	22.5
155.08549	18.5
156.09372	13.0
157.10155	61.6
158.10921	12.0
159.11693	28.5
160.64021	6.2
161.09584	8.2
163.11165	11.9
165.45682	6.4
167.08560	8.3
168.09346	12.8
169.10173	24.7
170.10872	10.5
171.11678	32.8
173.13261	25.4
175.11192	15.3
175.14796	26.6
177.12761	11.0
178.83417	5.4
179.08636	8.5
181.10126	20.9
182.10878	8.6
183.11717	36.2
184.12540	9.5
185.13234	11.1
187.14842	7.3
189.12750	10.3
193.10173	13.6
194.10973	9.0
195.11687	30.6
196.12529	8.3
197.13249	15.5
199.11017	7.9
199.14894	14.0
201.12834	12.2
203.14417	8.5
206.11084	6.8
207.11742	12.3
208.12546	9.8
209.13292	30.0
211.14830	8.2
213.12715	8.5
215.14285	13.4
217.15849	13.5
219.11650	8.6
221.13257	14.8
223.14859	12.4
235.14839	8.7
237.16376	9.5
249.16373	9.1
255.17546	6.0
277.19730	9.0
295.20413	8.9
327.23181	14.5
342.25558	97.2
354.21866	25.2
389.17294	7.5
390.18085	8.6
403.18909	9.4
404.19708	18.8
405.20526	20.2
419.22214	31.8
434.19180	13.4
434.24338	100.0
434.31766	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	434.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94344	1.9
53.03941	2.9
55.05508	5.3
57.03439	2.8
59.05030	2.3
65.03958	2.6
66.61281	1.7
67.05515	6.7
69.03448	9.3
69.07066	6.8
71.04999	11.8
71.51463	3.4
72.05299	2.8
73.02977	1.8
79.05493	15.2
81.07060	14.7
83.04975	2.0
83.08605	3.8
85.02904	11.7
85.06551	6.0
91.05502	12.7
93.07053	38.9
95.04983	3.4
95.08620	19.9
95.41801	2.1
97.02940	2.5
97.06554	8.4
99.04433	2.7
99.08076	2.3
105.07040	20.0
107.04980	2.4
107.08601	17.5
109.06505	2.5
109.10185	10.7
113.06010	3.1
113.49350	2.1
117.06997	6.0
119.08595	33.7
120.04472	10.2
120.08955	1.9
121.06517	2.1
121.10156	100.0
123.08080	5.4
125.06012	5.3
127.03990	2.1
129.05476	5.9
129.06995	2.1
131.08592	10.7
133.10184	10.6
135.11699	2.4
137.02412	4.0
137.09639	3.8
139.07605	2.2
142.07747	2.3
143.07060	16.5
144.09377	6.2
145.10172	5.8
147.11710	8.7
149.13277	7.2
151.07614	2.1
153.01833	11.8
155.07027	9.3
157.10147	12.5
159.11711	56.1
161.13322	2.9
163.03873	2.7
165.09181	2.3
166.02904	1.8
167.14319	2.9
173.09752	2.0
173.13280	13.2
177.12779	10.5
182.53210	2.1
191.14378	4.1
195.13712	5.1
201.12805	3.4
207.13858	7.6
219.13823	41.6
225.14868	5.4
237.14871	17.9
255.15881	4.5
271.06119	4.3
272.06357	7.0
273.07721	5.0
287.05484	9.3
288.05850	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	434.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94344	1.9
53.03941	2.9
55.05508	5.3
57.03439	2.8
59.05030	2.3
65.03958	2.6
66.61281	1.7
67.05515	6.7
69.03448	9.3
69.07066	6.8
71.04999	11.8
71.51463	3.4
72.05299	2.8
73.02977	1.8
79.05493	15.2
81.07060	14.7
83.04975	2.0
83.08605	3.8
85.02904	11.7
85.06551	6.0
91.05502	12.7
93.07053	38.9
95.04983	3.4
95.08620	19.9
95.41801	2.1
97.02940	2.5
97.06554	8.4
99.04433	2.7
99.08076	2.3
105.07040	20.0
107.04980	2.4
107.08601	17.5
109.06505	2.5
109.10185	10.7
113.06010	3.1
113.49350	2.1
117.06997	6.0
119.08595	33.7
120.04472	10.2
120.08955	1.9
121.06517	2.1
121.10156	100.0
123.08080	5.4
125.06012	5.3
127.03990	2.1
129.05476	5.9
129.06995	2.1
131.08592	10.7
133.10184	10.6
135.11699	2.4
137.02412	4.0
137.09639	3.8
139.07605	2.2
142.07747	2.3
143.07060	16.5
144.09377	6.2
145.10172	5.8
147.11710	8.7
149.13277	7.2
151.07614	2.1
153.01833	11.8
155.07027	9.3
157.10147	12.5
159.11711	56.1
161.13322	2.9
163.03873	2.7
165.09181	2.3
166.02904	1.8
167.14319	2.9
173.09752	2.0
173.13280	13.2
177.12779	10.5
182.53210	2.1
191.14378	4.1
195.13712	5.1
201.12805	3.4
207.13858	7.6
219.13823	41.6
225.14868	5.4
237.14871	17.9
255.15881	4.5
271.06119	4.3
272.06357	7.0
273.07721	5.0
287.05484	9.3
288.05850	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
55.01867	10.7
55.94251	3.9
57.03433	9.5
59.04994	10.1
61.02934	7.0
63.38696	3.9
64.05739	3.5
66.40089	3.4
67.05516	7.8
68.99792	4.6
69.03432	38.3
70.06590	4.0
71.04997	13.0
71.51640	6.0
73.02921	6.7
79.05479	14.4
81.03430	33.5
81.07056	23.5
83.04976	4.9
85.02908	100.0
87.00836	39.1
91.05486	15.8
93.07050	18.7
95.04998	9.6
95.08607	14.2
96.62186	4.1
97.02891	41.5
97.06541	3.5
99.04480	10.9
105.01871	46.7
105.07037	13.2
107.04931	9.2
107.08586	17.7
109.02887	32.6
109.06521	14.0
109.10141	16.1
111.08063	7.4
119.08603	11.4
121.02895	10.9
121.10159	8.1
123.08111	6.5
123.11712	19.5
125.05971	4.2
127.03912	72.2
129.01874	7.4
131.08597	4.0
133.10143	17.1
143.07024	10.2
145.04993	38.5
145.06111	6.9
145.10167	3.7
145.36264	3.6
147.04424	9.4
147.11710	4.5
151.11185	55.4
153.01837	24.9
159.02878	15.8
159.11691	10.5
167.07056	22.0
169.12270	15.9
172.05327	3.8
175.11272	4.2
177.12825	4.5
181.04970	47.4
189.04022	5.6
193.12299	8.6
201.05476	4.9
213.03922	5.6
219.13838	9.1
221.07970	4.6
231.04976	16.4
231.81349	4.1
233.08058	30.4
237.14919	6.9
249.06122	5.0
263.09375	8.2
273.07626	20.7
288.05847	14.4
381.15265	9.1
387.14133	6.6
399.16559	30.2
417.15378	14.3
438.86932	3.8
442.40567	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	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.8
54.39990	2.1
55.01881	11.8
55.05503	5.5
57.03448	9.3
59.05000	10.7
61.02923	6.1
63.46465	1.8
67.05498	9.7
68.99777	3.6
69.03429	37.9
69.07067	4.6
70.06586	1.8
71.01351	1.8
71.05006	12.2
71.50726	2.2
71.51118	2.3
73.02913	5.7
77.52535	1.8
77.58506	1.7
79.05479	9.9
81.03423	31.9
81.07063	25.5
83.04993	2.5
84.04463	1.8
85.02911	100.0
87.00833	42.0
87.04475	2.6
91.05476	7.7
93.07044	18.2
94.16305	1.8
95.04991	4.1
95.08607	7.6
97.02900	33.2
97.06524	3.0
99.04469	17.1
101.86035	1.9
105.01874	50.7
105.07020	8.4
107.08604	15.8
109.02888	31.7
109.06525	11.0
109.10162	23.6
111.08086	6.7
117.01850	3.1
119.08592	5.1
121.02853	17.1
121.06484	2.9
121.10155	3.3
123.11710	19.6
125.09585	2.6
127.03925	64.6
129.01830	2.9
131.08549	3.4
133.10130	22.0
135.08057	2.5
137.09612	5.5
143.10652	3.1
145.04979	32.0
145.10107	3.8
147.11623	2.8
149.09654	3.0
151.11183	49.8
153.01830	11.8
153.12715	2.0
159.02887	27.9
159.11678	5.8
160.08780	2.7
161.09595	2.5
163.11180	4.0
169.12257	18.1
175.11263	3.6
179.42493	1.8
183.37685	2.0
189.03922	4.4
193.12306	8.3
201.16371	2.6
213.03865	2.2
219.13960	2.1
219.17490	4.1
220.11977	2.3
231.05003	20.3
249.06096	6.2
272.06378	2.8
277.14423	2.7
313.16473	4.7
341.76309	1.9
363.14606	3.4
381.15662	3.0
399.16547	40.1
417.17215	3.7
434.18961	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	433.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05268	2.3
55.05515	27.2
57.06795	1.9
57.07078	40.1
67.05508	4.2
69.07074	58.6
71.08635	30.1
71.52055	2.3
79.05485	1.9
81.07040	5.0
83.08624	39.8
85.10191	15.9
92.19888	1.4
93.07040	3.4
95.08607	5.4
97.10181	36.9
99.11725	3.1
111.08034	1.6
111.11729	28.3
113.00014	2.9
113.13286	1.6
121.06505	2.8
123.08097	2.0
125.05910	2.2
125.13270	11.0
135.07967	1.9
137.05968	3.9
137.42039	1.5
139.07552	32.6
139.14859	2.4
151.07542	15.6
155.07047	3.5
163.07458	1.6
165.09138	1.8
167.07054	100.0
168.07359	2.0
169.02608	2.6
177.09074	4.5
191.10680	4.4
225.27509	1.6
239.80072	1.4
280.21005	1.4
289.34924	1.6
415.35669	2.2
433.36746	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	434.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53628	0.3
53.03928	0.4
55.05505	0.7
57.03425	0.7
58.99593	0.5
60.04525	0.4
67.05510	2.4
69.03426	2.0
69.75450	1.9
70.06581	1.0
73.02926	0.5
76.02211	1.4
78.29546	0.3
79.05509	0.7
81.03419	1.0
81.07043	0.6
84.04491	0.6
84.08139	0.5
85.02911	5.0
85.06544	1.1
91.05492	0.4
93.07017	0.6
95.04977	0.9
95.08601	4.6
97.02894	1.7
99.04452	0.8
100.02208	2.3
102.05509	0.4
103.03880	0.3
105.00063	0.6
105.07028	1.0
107.04970	0.4
107.08657	0.4
108.05725	0.6
109.02871	0.9
110.06056	0.9
111.62431	0.3
122.02724	7.3
123.04428	0.5
123.08069	8.2
127.03909	1.1
133.10162	0.4
133.59505	0.4
134.06027	0.5
139.03918	0.6
145.05009	0.8
146.02728	1.5
151.07550	100.0
152.07912	1.5
153.01837	2.3
157.07550	0.4
163.03975	0.4
164.03726	0.8
170.06363	0.5
188.03809	0.4
254.10213	0.6
272.09436	5.3
273.09375	0.5
275.01971	0.4
284.07986	5.5
303.01370	1.3
330.77158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01864	4.4
55.05503	2.1
57.03416	3.3
61.02928	3.9
62.10842	1.9
67.05498	5.2
69.03431	18.5
69.24164	22.2
73.02923	6.5
79.05512	5.1
81.03428	18.6
81.07064	4.5
85.02912	52.4
87.00829	19.2
91.05491	24.2
93.07040	9.0
95.04964	4.2
97.02893	30.3
99.04468	10.5
105.01875	28.4
105.07039	50.7
107.08601	5.2
108.16805	2.0
109.02888	21.7
115.73805	2.0
116.12270	2.0
117.01883	2.4
117.07033	2.1
119.08638	1.9
121.02882	8.7
123.11694	2.0
127.03928	50.9
128.10616	1.9
129.01855	2.4
131.08548	5.0
133.04997	2.8
133.10143	100.0
134.10435	2.2
135.11748	2.9
145.04971	30.2
151.11192	5.9
153.01831	15.2
159.02887	12.3
231.05093	10.3
271.06055	22.3
272.06369	45.2
278.94604	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	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99623	1.8
53.03938	4.2
55.01859	7.6
57.03449	14.9
59.04983	2.7
61.02920	9.9
69.03436	30.0
70.06588	5.9
71.04993	3.2
71.50009	2.5
71.50434	4.0
73.02926	21.5
79.05492	3.4
81.03409	6.3
81.07067	2.4
83.04970	2.8
84.04530	2.5
85.02909	100.0
87.04449	6.7
91.03949	5.0
91.05476	3.5
93.27773	2.3
97.02892	36.1
99.04453	4.3
103.05426	2.9
105.07040	47.7
109.02887	10.2
115.03941	17.4
116.07133	2.6
123.04478	2.8
127.03919	32.4
127.38486	2.3
132.06648	2.4
133.04962	25.2
133.10104	2.1
145.04976	56.0
147.08025	3.1
150.07588	3.5
151.07599	2.8
153.01826	4.6
163.05997	25.5
181.04933	3.1
182.36632	2.2
186.83121	2.2
223.06079	3.7
247.02409	2.9
257.00763	7.1
259.08295	3.5
275.01910	5.0
285.00357	4.0
287.14178	6.4
303.01385	46.2
412.56311	2.4
416.19153	3.7
442.08356	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90361	1.4
53.03946	6.5
55.01879	9.9
55.05516	33.5
56.43512	1.6
57.03446	8.8
61.51999	1.5
62.50299	1.5
65.03930	2.9
67.05511	40.9
69.03427	4.5
69.07076	9.4
69.15406	5.1
69.15827	11.2
71.05005	2.6
76.47478	1.3
79.05497	49.9
81.03417	5.0
81.07065	31.3
83.04973	3.8
83.08618	17.3
85.06543	2.9
91.05487	44.3
93.07053	36.6
95.04979	32.5
95.08615	16.6
95.18361	1.4
97.06533	4.3
97.10171	19.8
103.05480	2.9
105.06390	2.6
105.07040	28.7
107.04964	19.8
107.08601	22.9
109.06539	4.6
109.10147	7.8
111.08086	2.8
115.05457	6.1
117.07029	20.8
119.04963	4.6
119.08593	14.7
121.06503	17.8
121.10152	14.1
123.08073	4.3
125.09627	20.8
128.06241	5.8
129.07010	24.6
131.04942	10.7
131.08568	30.4
133.06491	8.8
133.10146	6.4
135.08057	11.6
135.11697	2.7
137.09576	1.6
141.06982	10.0
143.08569	17.1
145.06491	18.8
145.10135	14.6
147.04411	1.5
147.08104	10.2
147.11690	3.2
149.09636	21.5
153.07080	2.1
154.07784	2.8
155.08560	10.3
157.06502	3.6
157.10136	8.1
159.08083	6.7
159.11714	11.1
161.09644	4.8
161.13239	3.7
163.11192	3.3
165.07048	2.0
167.08559	4.4
169.10144	14.4
171.08046	3.8
171.10280	3.7
171.11659	19.1
173.09631	6.4
173.13239	3.1
175.11221	2.8
177.12767	2.7
178.07910	1.9
179.08574	3.3
181.10097	4.9
183.08063	2.5
183.11710	6.8
185.09644	4.9
185.13277	5.7
187.11136	12.0
189.09232	3.3
189.11211	9.1
189.12790	15.2
193.10172	2.4
193.12137	2.6
195.11679	4.2
197.09692	4.9
197.13322	2.9
199.11221	4.0
199.14955	2.1
201.12874	2.9
205.12250	7.4
209.13284	3.5
211.11209	6.7
213.12755	3.8
223.11357	1.8
223.13306	6.0
225.12738	3.6
227.12788	4.6
229.12299	5.0
231.13768	1.7
239.14340	1.9
243.13823	6.0
245.13626	2.3
249.14819	2.0
257.15457	3.6
257.30038	1.7
261.14996	2.3
267.15912	3.5
273.14822	3.0
275.16525	2.8
287.16684	1.8
295.20776	2.8
305.18893	2.2
313.21704	8.1
323.20084	26.9
341.21136	100.0
342.21439	2.9
359.22089	8.3
379.22885	2.7
379.42386	1.5
396.51944	1.4
397.23941	1.6
415.24774	35.4
433.25888	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34084	1.8
53.03938	6.5
54.34106	1.9
55.05269	2.8
55.05513	36.9
57.07060	3.3
59.04719	4.2
59.05003	63.6
61.65769	2.0
65.03936	2.7
67.05507	15.6
67.88714	2.0
69.03408	5.4
69.07075	9.2
69.21291	18.1
71.04983	4.1
73.85033	1.8
75.04456	1.8
79.05503	16.0
79.60686	2.0
81.07058	14.8
82.73331	2.0
83.08633	4.2
85.06548	100.0
91.05491	42.0
92.01756	1.9
93.07053	35.7
95.04965	5.4
95.08606	27.6
97.06535	3.1
99.08066	5.6
101.06009	2.1
103.05457	2.4
105.06399	3.1
105.07037	41.6
107.05003	1.9
107.08595	25.4
109.06549	8.8
109.10176	19.1
111.08076	14.3
115.05429	4.1
117.07018	15.6
119.08591	70.8
121.06467	3.5
121.10143	26.2
122.07290	2.7
122.64184	1.9
123.08066	8.9
123.11669	3.4
125.09629	28.6
128.06248	4.6
129.06998	6.9
130.07774	3.5
131.08585	26.0
133.10138	28.8
135.08044	7.0
135.11685	7.6
137.09621	25.9
139.11145	1.9
141.06989	3.5
142.07777	13.9
143.08559	23.3
144.09267	5.3
145.06433	2.3
145.10135	33.8
147.08049	5.7
147.11713	10.3
149.09663	9.6
149.10594	2.0
151.11194	34.3
153.06934	2.6
155.08548	10.7
156.09377	8.7
157.10144	28.5
158.10916	3.7
159.08084	3.6
159.11728	18.2
161.09599	2.8
161.13289	2.4
163.11198	7.5
165.06985	2.1
165.12672	3.2
166.11781	2.0
167.08595	5.1
168.09328	7.0
169.10127	17.1
170.10890	5.8
171.11682	19.0
173.13203	7.1
175.11215	2.8
175.14844	4.0
177.12794	2.5
179.08492	7.5
180.09387	2.9
181.10143	10.7
182.10951	3.8
183.11722	12.0
184.07436	2.5
185.13245	9.9
187.11073	3.4
187.14816	2.9
189.12753	6.1
193.10153	4.8
194.10909	5.9
195.11673	9.1
197.13277	10.0
199.14812	3.7
201.12778	2.7
203.14304	7.1
204.02814	2.0
206.10866	3.4
207.11697	7.6
208.12517	3.8
209.13286	14.8
211.14783	4.6
212.80476	1.9
213.12776	2.6
215.14394	3.4
218.64619	2.0
219.11696	4.0
220.12585	2.8
221.13260	6.8
223.14813	7.9
225.16466	3.7
227.14323	2.4
229.15726	1.9
233.13272	2.8
235.14734	5.2
235.16927	2.1
247.14792	2.4
249.16380	4.7
251.18042	2.3
253.15926	2.9
261.16290	2.8
263.17953	4.0
265.19519	4.7
275.20218	2.5
281.18906	2.4
291.20996	2.5
296.09195	2.0
341.24933	2.3
353.10147	2.1
354.25323	3.2
433.31284	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	433.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.5
55.01865	10.9
55.05278	2.0
55.05516	31.0
57.03435	6.1
63.05048	1.4
65.03932	3.1
67.05508	37.7
69.03425	4.1
69.07072	10.9
71.04996	1.7
79.05495	43.5
81.03416	6.7
81.06588	2.3
81.07057	34.8
83.04983	4.3
83.08619	16.1
85.02902	3.0
91.05486	40.5
93.06478	2.5
93.07050	32.4
95.04970	27.4
95.08607	16.0
97.06528	3.8
97.10176	20.3
101.18667	1.5
103.05451	2.4
105.04520	1.7
105.07043	30.3
107.04968	16.4
107.08610	21.2
109.06531	4.3
109.10175	7.3
115.05447	3.3
117.07021	15.1
119.04946	2.7
119.08577	14.5
121.06516	17.2
121.10151	16.6
123.08068	5.3
125.09650	16.0
128.06210	7.1
129.05469	3.6
129.07007	22.4
130.07848	1.9
131.04919	8.8
131.08582	27.0
133.06487	9.9
133.10110	5.9
135.04398	1.6
135.08055	8.7
135.11682	2.9
137.05956	2.0
141.06989	8.4
143.08595	13.7
145.06503	20.4
145.10106	17.4
147.08083	9.0
147.11685	4.3
149.09633	20.0
153.06982	1.9
154.07805	2.6
155.08601	8.1
156.09303	1.8
157.06511	4.4
157.10106	5.9
159.08063	7.4
159.11676	6.8
161.09613	6.0
161.13307	3.9
163.11163	5.3
165.07069	2.0
167.08525	5.0
169.10136	11.2
171.08028	5.8
171.10297	3.4
171.11691	14.8
173.09608	6.3
173.13226	2.4
175.11198	4.9
177.09175	1.7
177.12724	3.0
179.08565	2.8
181.10175	3.6
183.11691	5.4
185.09618	4.2
185.13269	4.7
187.11203	10.0
189.09113	2.6
189.11211	6.3
189.12766	14.6
192.14828	1.5
193.10193	1.7
193.12262	2.1
197.09669	5.3
199.11151	3.1
201.12715	2.0
203.10677	2.3
205.12230	6.3
207.11787	2.9
209.13264	1.8
211.11169	7.9
211.14850	2.6
213.12740	2.2
215.10759	3.8
217.12163	2.6
217.15985	1.7
223.13268	6.3
225.12737	3.7
227.12782	5.2
229.12247	4.1
229.16069	2.1
243.13860	4.3
247.13414	2.8
251.17218	1.6
257.15356	4.9
267.15918	4.3
271.06143	2.6
273.14963	2.6
295.20486	3.1
305.19073	2.8
313.21674	5.6
323.20029	19.1
341.21121	100.0
342.21472	3.4
359.22034	8.2
397.23572	3.5
415.24777	32.6
433.25818	68.8
434.26257	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
57.03440	7.5
70.07598	3.0
73.02926	3.9
75.04484	22.3
75.62263	0.5
85.02883	1.9
87.03275	0.6
88.36074	0.6
89.15271	0.6
91.05457	0.6
93.07057	0.6
94.58772	0.6
98.20763	0.9
107.04925	0.7
111.00834	0.7
117.00538	0.5
121.02867	3.5
121.03600	0.7
137.02350	1.1
140.06787	0.6
147.04364	0.6
153.01848	5.3
165.01843	1.5
183.02940	1.0
213.05392	0.9
228.04245	0.6
243.06586	1.5
256.31155	0.6
258.05298	1.4
271.06073	7.3
287.05511	100.0
288.05911	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	433.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99213	0.9
55.01874	1.2
66.62832	0.9
67.05492	1.6
69.03420	2.6
69.07081	1.3
70.06598	60.9
70.78974	1.4
70.79299	1.5
71.04990	4.2
72.08138	2.1
79.05506	1.3
81.03423	1.4
81.07071	1.2
83.04981	1.0
85.02911	7.8
86.09709	13.9
91.05482	2.6
93.07047	1.9
95.08598	1.0
97.02893	1.8
99.04439	1.3
105.07029	2.7
107.04961	1.8
109.02863	2.1
114.05484	1.4
116.07101	100.0
119.04967	0.9
119.08640	1.0
121.02881	2.1
121.06499	0.9
125.09613	1.1
127.03920	2.4
127.07570	0.9
128.10713	7.4
131.08560	1.2
132.39658	0.9
133.06487	1.3
137.02353	1.5
144.08099	1.0
147.04440	1.1
153.01868	6.7
156.10176	1.9
161.05956	1.4
167.07079	3.5
179.03474	1.5
181.04980	6.8
183.06577	2.1
195.13817	1.1
208.14247	1.3
221.08153	1.7
242.10349	1.7
260.11469	3.7
271.06021	10.0
278.12360	8.5
283.05936	1.5
287.05505	16.4
299.05728	1.6
301.07059	1.3
329.06595	1.6
371.11252	3.6
397.09341	2.8
403.13889	2.8
415.10211	1.8
433.15155	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	433.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.05514	1.2
57.03451	4.6
67.05505	1.9
69.03419	2.9
69.07066	0.9
70.84430	1.7
71.05002	15.5
73.02908	1.1
75.04470	2.6
79.05476	1.7
81.03428	1.9
81.07067	3.4
85.02912	19.1
87.00841	1.2
91.05468	1.7
93.07047	2.1
95.04944	1.3
95.08607	1.7
97.02897	1.0
97.06543	1.1
99.04425	0.7
105.01837	1.3
105.07031	2.2
107.04955	1.9
107.08582	2.4
109.02903	1.7
109.06536	1.1
109.10175	1.7
110.07133	0.7
111.08083	1.0
119.08578	1.9
121.02863	2.4
121.10084	1.6
123.08009	1.1
123.11691	0.8
127.03915	3.4
129.05495	2.0
131.08598	1.0
133.10130	0.9
135.03239	0.6
137.02354	4.1
137.05966	1.3
145.04984	1.5
145.06587	0.8
145.10115	0.9
147.04428	1.3
151.11169	1.8
153.01855	7.9
159.02875	0.9
159.11646	0.8
161.06026	1.0
165.01813	1.9
177.06612	1.1
211.86591	0.6
213.05331	0.8
234.98994	1.4
254.18094	0.6
255.09401	0.6
258.05368	1.2
271.06015	11.7
274.75217	0.7
287.05527	100.0
288.05859	2.8
301.03802	0.8
399.16370	1.5
425.92102	0.7
433.09235	1.9
434.16592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
52.82019	0.1
54.49137	0.1
59.92142	0.1
67.01875	0.7
68.99472	0.1
68.99806	0.3
69.03397	0.1
71.31319	0.2
85.02888	0.1
91.05474	0.4
91.13612	0.1
111.00766	0.1
119.04945	2.0
121.02859	0.7
129.01831	0.2
145.02824	0.5
153.01834	5.7
163.03923	0.4
171.02916	0.3
187.04010	0.2
225.05405	0.2
229.04944	0.3
243.06532	0.5
247.06129	0.1
260.00049	0.1
271.06009	100.0
272.06363	2.4
272.09299	0.1
339.14627	0.1
429.45898	0.1
433.11273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.5
53.18312	0.4
55.01872	0.6
55.05515	0.7
57.03436	0.9
61.02919	1.1
67.05517	0.5
68.99789	0.7
69.03439	4.1
70.00626	2.4
71.04981	0.6
72.08161	0.9
73.02933	0.8
73.82008	0.5
81.03410	1.6
81.07006	1.0
85.02908	8.4
91.03971	0.5
91.05471	2.1
93.07031	0.8
95.04961	0.5
97.02880	3.4
99.04444	1.2
105.07024	0.8
107.04945	1.3
107.08579	0.7
109.02849	1.2
109.06510	0.5
112.89513	0.4
114.46976	0.4
119.04946	1.0
119.08510	0.7
121.02855	1.0
121.10114	1.0
127.03888	2.3
131.04915	0.7
137.05963	0.5
145.02861	1.2
145.04968	2.0
147.07942	0.5
149.02344	3.5
149.09595	0.9
153.01822	7.9
157.07663	0.5
161.05893	0.6
166.12248	0.5
167.10699	0.9
169.06429	1.2
173.05913	0.5
181.04996	0.5
187.03937	0.5
187.07585	0.6
197.05962	1.8
209.11681	0.8
215.07037	7.7
225.05357	2.5
243.06552	2.8
253.05016	2.1
271.06021	100.0
272.06354	1.5
287.05350	0.5
301.06775	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1135
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
53.03949	0.4
55.01857	0.6
55.05517	0.4
57.03440	4.1
67.01849	0.5
67.05507	0.5
67.37595	0.3
68.99799	0.8
69.03439	0.6
69.07089	0.4
70.65022	0.9
71.04997	16.9
72.15985	0.3
73.09238	0.3
75.04491	2.1
79.05496	0.5
81.07028	0.5
83.04969	0.4
85.02909	19.9
87.04475	0.6
91.05446	0.9
93.07008	0.6
95.08593	0.4
97.02880	0.4
107.04953	0.9
107.08622	0.4
109.02859	0.4
109.10182	0.5
111.00742	0.6
118.39698	0.3
119.04964	0.7
119.08595	0.4
120.72990	0.3
121.02884	3.3
121.10172	0.4
125.09407	0.3
127.03932	0.5
129.05508	2.8
129.07010	0.4
133.02808	0.3
133.10161	0.4
135.04465	0.4
137.02370	1.2
145.06496	0.5
147.04431	0.6
149.09734	0.4
151.03879	0.4
153.01825	6.4
157.06477	0.6
165.01834	1.9
179.03409	0.4
182.87524	0.4
183.02873	1.2
183.06589	0.6
185.05951	0.4
202.59517	0.4
213.05463	1.3
229.04919	0.4
231.06613	0.7
241.05009	1.3
243.06404	0.5
253.04915	1.1
258.05264	1.0
259.06000	0.6
271.06030	42.1
272.06378	0.8
287.05515	100.0
288.05908	1.8
325.07129	0.5
329.06738	0.5
353.06583	0.4
397.09097	0.4
415.10208	0.6
433.11188	3.3
434.11536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1131
Annotation	Galanginin
Peak:m/z	Relative Intensity
50.60891	1.1
55.01871	1.7
57.03434	3.7
59.05000	1.6
63.70543	1.0
65.61333	1.2
69.03424	2.9
71.00013	2.3
71.04999	12.6
73.02937	1.7
74.56792	1.2
74.96404	1.2
81.03432	2.7
81.07040	1.8
85.02911	16.7
85.06532	2.1
91.05446	1.5
93.07048	1.7
97.02879	1.5
105.07014	2.7
111.04452	1.6
119.04990	1.7
121.02872	13.5
133.02834	1.4
135.04515	1.4
137.02342	6.2
141.20724	1.3
149.02335	2.0
153.01790	3.1
163.03960	1.5
165.01849	8.5
167.10747	1.2
167.67444	1.4
177.01857	1.3
181.04974	3.9
183.02913	3.1
185.11775	4.4
191.03340	1.4
213.05530	1.8
255.06285	1.2
257.12640	1.1
267.06641	2.0
270.05231	1.4
271.06030	100.0
272.06155	1.8
279.06348	1.7
281.07944	3.0
283.06027	49.8
284.06763	8.9
287.05508	64.7
295.06100	4.6
297.07538	3.5
299.05557	2.9
305.08112	1.4
307.06189	1.9
308.06570	1.5
309.07489	11.7
313.03604	2.4
313.07083	39.7
323.09039	8.3
329.06595	2.8
337.07068	18.0
349.07053	4.3
351.08463	2.8
353.06381	1.7
361.07089	3.9
367.08145	10.1
379.08136	10.3
397.04785	1.4
397.09268	14.6
403.13889	2.5
415.10260	10.5
433.11356	13.3
433.20303	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	432.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35403	5.1
55.05498	7.9
56.05052	5.4
67.05511	16.8
69.03430	12.0
69.27870	30.1
69.28280	9.8
70.06611	7.6
72.08161	12.7
79.05478	7.9
81.07056	6.5
83.04967	4.5
84.04461	4.4
85.02904	12.5
85.06541	11.4
86.09715	19.5
89.06036	18.2
91.05496	11.6
93.07051	11.3
95.04961	5.4
95.08619	67.8
96.36245	6.3
98.21547	9.0
105.07014	9.2
107.04966	6.3
107.08592	11.6
109.02899	5.8
109.06505	5.0
112.07623	4.1
113.06009	12.5
117.60327	4.4
119.08577	19.3
121.10165	7.6
122.96467	4.6
123.08085	27.7
129.10297	4.8
133.08669	4.9
135.08134	4.7
135.11696	14.8
147.11729	13.7
149.09613	30.0
153.01868	9.7
161.13240	14.8
163.11182	6.3
165.12833	7.9
179.14259	4.9
189.12759	17.0
203.03445	9.1
207.13831	100.0
209.75223	4.4
231.02847	6.0
235.09741	6.1
271.05823	6.0
271.28036	4.4
326.26981	5.2
373.14505	4.6
414.17554	5.1
432.38031	6.9
433.11047	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	433.1131
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
52.02798	0.7
52.28375	0.6
69.03415	1.9
69.07073	0.9
71.04989	0.8
71.51331	0.8
71.98533	0.6
72.08141	1.4
72.52694	0.7
79.05478	0.7
80.00143	0.7
81.03414	1.2
81.07043	0.8
84.08151	0.7
85.02913	4.7
85.06543	0.8
86.09699	3.1
91.05470	2.0
96.97405	0.6
97.02876	1.7
99.04478	0.6
105.07034	1.4
107.04959	0.7
109.02862	1.2
119.04926	1.9
120.25346	0.5
121.02837	1.4
121.47564	0.5
127.03910	1.4
130.06500	1.4
132.04410	0.8
133.10129	1.7
145.02882	1.0
153.01834	7.3
154.01283	0.7
157.07634	1.3
158.05957	1.0
175.08653	0.6
181.04970	1.4
225.05341	0.7
271.06027	100.0
272.06299	1.9
274.87747	0.6
283.06128	0.8
287.05469	2.5
288.17017	0.8
302.15067	0.8
313.06866	0.7
428.67572	0.6
440.56998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
56.20795	1.5
56.96561	5.5
57.03427	3.7
61.02914	3.1
65.45065	1.5
69.03449	8.3
69.07064	3.5
70.06584	5.4
70.47438	1.5
71.04998	1.7
71.49701	2.3
72.08163	7.9
73.02908	2.5
79.01856	2.1
81.03425	2.6
83.18488	1.4
84.04509	2.2
84.08141	3.4
84.96039	1.8
85.02921	14.7
86.09699	5.5
91.05480	2.1
93.07105	1.9
95.04957	1.4
97.02898	6.8
98.97601	14.6
99.04450	2.0
103.05482	8.7
107.04954	2.3
109.02875	2.9
110.92822	1.2
110.97566	5.1
112.99138	2.0
116.98627	6.3
120.08118	100.0
121.06516	1.6
121.08380	2.5
123.70626	1.4
124.07658	1.7
125.02380	1.4
127.03894	5.8
128.98586	4.9
130.06522	2.1
131.00087	1.6
131.04948	2.9
134.05969	1.8
138.05510	20.4
145.04997	3.5
146.99576	2.5
147.04436	3.3
149.06062	2.0
153.01848	36.3
153.02995	2.0
158.99644	3.7
166.08662	45.6
170.99631	2.0
198.99020	1.9
201.00703	2.2
208.97609	3.1
219.01740	6.8
224.12785	2.5
226.98686	4.3
227.98932	1.9
237.02773	5.2
238.03221	3.1
243.01834	1.6
244.99757	6.7
246.00116	2.8
258.14563	1.4
260.10263	1.7
261.02942	2.4
263.00793	3.3
267.04620	2.0
270.13409	7.4
287.00690	3.2
303.01337	2.4
352.05405	1.6
354.01999	1.9
389.03873	2.0
390.04413	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	431.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01868	5.9
55.05516	15.7
57.03440	20.3
57.07067	3.6
61.02931	53.5
65.03937	2.8
67.05508	67.6
69.03439	26.9
69.07079	22.9
69.82615	2.2
70.65078	2.6
70.65430	7.5
71.01347	4.0
71.04972	8.8
73.02924	22.0
79.05494	34.7
80.75044	2.1
81.03426	23.5
81.07059	100.0
83.04986	12.9
83.08636	12.6
85.02908	46.8
85.06523	4.2
87.04449	2.9
91.03960	30.2
91.05484	23.0
93.06483	4.2
93.07047	66.9
93.07639	4.3
95.04961	6.3
95.08614	27.0
97.02897	36.6
97.06544	16.6
97.10133	2.5
99.04453	9.5
99.08110	4.2
101.02363	8.1
103.03936	5.7
105.07050	11.2
107.08595	30.5
109.02897	12.3
109.06512	7.4
109.10149	5.2
111.08066	9.2
113.09666	2.6
115.03933	4.3
117.07023	10.2
119.08530	5.7
120.73093	2.7
121.06493	2.6
121.10149	22.6
123.11663	2.9
125.09650	3.5
127.03919	22.0
131.08609	12.4
133.10124	8.7
135.08044	2.8
135.11716	14.5
137.05963	3.8
139.11171	3.1
143.08597	2.8
145.04941	7.4
147.11697	5.1
149.13272	67.5
153.01826	4.1
157.10138	3.3
159.11710	29.6
161.09593	2.3
163.07568	2.8
165.12781	3.4
177.12744	14.8
183.06522	6.0
195.13815	42.1
213.14940	3.7
223.60925	2.3
269.17502	77.6
297.16858	5.4
311.18613	3.2
324.60150	2.2
339.17941	3.0
370.45316	2.3
413.21616	5.1
431.13458	2.5
431.22781	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	431.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41664	0.6
53.03963	1.5
55.01880	1.2
57.03438	1.4
61.01154	3.9
61.02932	1.3
65.03949	2.5
67.05515	1.0
69.03434	3.9
69.07067	0.6
69.21799	5.1
69.22204	1.3
70.06603	0.9
71.04993	1.6
72.04520	5.5
72.08138	0.7
73.02906	0.9
78.03799	10.7
81.03442	2.9
81.07046	1.3
81.56419	0.6
82.21778	0.5
83.05006	1.1
85.02914	14.3
86.06062	1.3
86.09708	1.5
93.07022	0.8
97.02900	5.2
99.04443	0.8
99.83483	0.6
102.03779	18.2
103.02190	1.0
108.04501	1.5
109.02885	1.7
111.04436	0.9
114.03773	1.2
120.04846	3.1
121.02879	100.0
127.03951	2.8
130.03284	0.6
131.06403	12.3
132.04811	9.4
136.07562	0.6
137.06076	0.6
138.05516	1.1
139.03896	0.7
145.04959	2.8
146.59515	0.6
149.07454	89.2
150.05521	6.6
150.07805	0.5
153.01830	1.8
181.03265	1.0
191.08507	4.8
192.06577	27.3
227.08504	2.2
231.17302	0.6
251.08534	0.6
257.09677	1.2
269.09570	87.2
270.09772	0.7
275.10541	1.5
299.05588	1.9
311.10583	5.6
325.06952	0.7
347.10724	3.6
353.06390	1.3
395.07819	0.6
395.12610	2.2
413.13879	1.1
431.14410	1.8
431.20230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
55.05509	0.4
57.06832	0.3
57.07079	2.7
58.07412	0.6
62.95624	0.4
65.72339	0.3
67.05515	2.8
67.09749	0.3
69.07061	1.1
70.76650	1.1
71.08626	1.2
77.05016	0.4
81.07039	1.2
82.20634	0.4
83.08607	0.5
85.10197	0.5
91.05488	0.8
93.07042	1.8
95.08598	1.0
96.08932	0.4
97.10205	0.5
105.07052	0.4
107.04942	0.5
107.08590	1.0
107.84955	0.4
108.09363	0.4
109.06461	0.5
109.10165	4.5
119.08611	2.7
121.05656	0.7
121.06511	9.2
122.07283	1.0
123.08087	0.8
125.05974	0.8
131.36653	0.4
135.08055	1.5
136.08850	12.5
137.09625	11.8
139.07632	0.5
149.05972	0.6
149.09644	3.2
150.09995	1.0
151.07614	0.5
152.08287	0.9
159.11743	0.4
163.11166	1.9
164.08351	34.6
164.11461	1.2
165.09125	100.0
166.09460	6.5
173.09583	0.6
175.11186	0.4
176.08369	0.4
177.09160	2.8
177.12849	0.7
178.09601	0.7
179.10535	0.6
187.11197	0.9
190.09952	0.8
190.13095	0.4
191.10713	1.9
192.11092	0.9
205.12296	7.4
206.12619	1.1
219.13948	0.8
220.14191	0.4
430.38071	68.9
431.38474	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	431.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	2.4
56.96566	30.6
61.02927	1.9
64.37118	1.3
65.74953	1.1
69.03436	4.4
71.00259	1.4
71.49629	1.4
71.95261	1.5
79.01864	1.4
81.03400	2.5
82.99837	1.9
84.08121	1.7
84.96028	12.5
85.02923	11.8
93.41716	1.2
97.02888	6.2
98.97588	100.0
100.15771	1.5
101.00896	11.4
110.97575	31.8
112.99137	9.6
113.00854	3.5
115.02418	2.8
116.98631	21.3
119.01917	11.6
124.99108	4.3
126.97041	1.8
127.03927	1.7
128.98608	21.0
131.00156	3.5
131.01915	4.8
133.03479	4.2
134.99652	2.0
136.06207	2.2
136.99062	1.2
139.02470	1.6
140.98619	5.9
143.00180	14.9
143.01912	2.8
144.05759	1.5
144.98149	3.1
145.05013	1.5
146.99664	3.8
153.01830	15.2
153.45491	1.3
155.01906	4.1
158.99651	14.2
161.01216	16.9
161.02943	2.0
167.01924	1.4
168.99860	6.7
170.99669	10.1
171.01213	2.7
171.05057	1.6
173.03014	3.5
177.00714	8.4
179.02278	2.5
182.99701	6.6
185.02975	3.9
187.00879	3.2
189.00717	5.5
189.02307	2.0
192.99899	1.8
194.99683	3.5
196.99391	3.3
197.02966	1.4
201.00697	16.9
203.03957	2.5
208.97665	5.7
211.00903	17.5
213.00642	2.7
214.03845	1.7
215.00385	13.0
219.01775	59.9
221.05225	1.7
221.46420	1.1
225.02632	1.5
226.98627	11.9
229.01976	17.5
237.02824	38.1
243.03740	1.4
244.99706	40.1
245.05051	2.6
247.02960	27.1
260.98926	3.2
261.02689	16.5
261.08450	1.5
263.00763	18.4
268.99741	3.2
271.03018	5.3
273.37689	1.4
278.99634	2.3
279.01044	1.5
279.03827	12.7
279.09036	1.6
281.01550	1.8
283.02979	2.2
287.00797	10.1
297.00955	4.7
299.02463	4.7
301.04102	2.1
304.99323	2.0
311.00742	4.2
315.01968	6.0
323.00812	7.6
325.00253	2.0
329.01944	4.7
339.01825	1.8
341.01590	2.6
343.01404	7.3
343.05142	4.3
353.01743	2.2
355.05081	2.0
357.03076	15.2
371.02838	33.7
375.04025	14.1
389.03912	44.9
399.04178	2.0
431.05365	3.8
431.10934	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	429.3731
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05496	2.1
57.07082	4.5
67.05507	3.0
69.07066	2.5
69.45824	3.1
71.08633	2.6
79.05482	1.2
81.07056	5.4
82.02119	0.6
83.04971	0.7
83.08630	1.2
85.10181	1.6
87.36260	0.5
91.05812	0.8
95.08593	3.7
97.10182	1.4
105.07032	1.3
107.08598	0.8
109.10162	4.2
111.11706	0.7
119.08597	3.2
119.87382	0.5
121.06522	0.6
121.10133	1.1
122.07287	1.3
123.11750	0.6
125.06007	2.4
131.08548	1.0
135.08052	1.9
137.09622	8.8
145.10133	1.7
149.09616	5.0
151.07535	1.6
159.11714	2.3
161.09557	0.8
163.11183	2.2
164.08315	0.6
165.09123	100.0
166.09451	1.5
173.09648	1.4
175.07622	0.9
175.11148	0.7
176.08315	1.4
177.09085	3.7
177.12801	0.9
179.10623	1.4
187.11185	2.5
189.09180	0.7
190.09869	3.7
191.10692	4.6
203.10652	0.7
205.12247	23.9
401.34268	0.6
429.31946	2.2
429.37274	9.7
430.38235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.01852	1.4
56.96567	11.4
65.89671	1.6
69.03416	2.9
70.06598	2.4
71.04991	1.6
71.51339	2.7
73.02905	1.7
73.04728	1.9
79.01854	1.5
81.03411	3.1
84.96063	2.5
85.02907	8.8
87.04523	1.5
91.05830	3.1
97.02880	2.3
98.97589	15.5
103.05464	7.5
110.97556	4.5
116.98621	5.3
119.04935	2.3
120.08115	100.0
127.03931	3.1
128.98605	2.4
131.04901	3.4
131.97729	1.6
136.06198	30.8
137.24789	1.4
143.00143	1.6
143.03418	1.8
146.99577	1.7
147.04419	5.0
149.05972	1.5
152.05693	4.9
153.01859	13.8
154.02116	2.0
158.99641	2.7
161.01190	2.1
163.03946	1.9
166.07248	2.2
166.08656	42.8
170.99588	1.8
177.00717	1.8
208.97638	3.2
219.01759	5.3
226.98619	2.9
237.02840	8.1
244.99672	4.4
263.00668	2.4
277.02881	1.9
303.01328	11.5
304.01559	3.2
358.94385	1.5
371.02875	5.2
389.03629	8.2
394.99188	2.7
430.14059	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	429.3731
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.03943	1.3
55.01854	1.5
55.05509	4.3
57.03436	1.1
57.07080	16.8
62.51139	0.9
65.58853	0.8
67.05498	6.3
69.03425	3.0
69.07069	5.1
71.08634	11.4
73.04781	1.1
78.74619	0.8
79.05514	3.0
81.03409	3.1
81.07066	8.7
83.04972	1.8
83.08611	4.9
85.02879	1.1
85.10193	5.8
91.05471	3.1
93.07043	3.7
95.04955	1.1
95.08617	8.7
97.02896	1.8
97.10193	2.6
105.07053	4.5
107.08590	6.9
109.10152	7.9
111.04480	1.2
113.00033	1.3
113.15398	0.8
114.99274	0.8
116.40326	0.8
117.07005	1.8
119.08595	4.8
120.31578	0.8
121.06540	1.3
121.10128	4.3
123.08123	1.3
123.11736	1.6
125.05978	0.9
126.78688	0.9
129.07008	0.9
131.08571	3.5
133.10114	1.7
135.08080	5.6
135.11719	3.1
136.08850	1.4
137.09627	12.7
137.13303	1.1
139.07576	1.8
145.10124	2.6
149.09628	14.1
151.07559	1.6
157.10170	2.1
159.08092	1.2
159.11719	3.7
160.08913	0.9
161.09688	1.3
162.06816	1.2
163.11183	19.8
164.08315	1.7
165.09120	100.0
166.09547	1.8
167.05602	1.3
173.09654	2.5
173.13258	2.0
174.10452	1.0
175.11183	6.3
176.08325	1.4
177.09102	13.3
177.12630	1.0
179.10710	1.7
186.10468	1.0
187.11264	2.9
187.14804	1.1
189.09082	1.5
189.12753	1.9
191.10663	9.6
193.12292	1.8
201.12726	4.1
203.10716	3.4
203.14307	1.2
204.11360	1.1
205.12282	10.2
211.13356	3.2
215.14308	1.9
219.13853	5.7
225.12677	1.1
233.15488	2.3
247.17070	1.1
261.18622	1.3
275.20126	1.1
303.23236	2.1
359.02890	2.9
373.31366	1.5
401.34207	2.7
411.36292	1.5
429.21417	2.5
429.32422	2.8
429.37354	40.7
429.43301	2.0
430.37924	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	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.11888	0.7
55.05499	3.0
57.07080	18.7
67.05518	5.2
69.07074	4.3
71.08238	1.0
71.08636	12.3
71.42612	1.6
76.00973	1.0
79.05496	2.0
81.07066	7.5
83.08612	3.1
85.10185	5.9
91.05492	3.4
93.07030	2.1
95.08054	0.9
95.08613	7.6
97.10165	1.4
105.07042	2.7
107.08604	5.8
109.10159	6.4
109.21697	0.7
111.04431	1.5
111.11745	1.9
117.07043	0.7
119.08597	3.4
121.06524	1.1
121.10149	3.7
122.07277	1.6
123.08121	0.9
123.11702	1.5
125.59686	0.7
131.08542	2.5
133.10141	1.2
135.08070	5.7
135.11667	2.2
136.08858	0.8
137.06030	0.8
137.09621	12.4
139.07555	2.2
143.08441	1.0
145.10141	2.6
149.09628	15.5
149.13347	0.9
151.14813	0.9
158.10863	0.8
159.11697	2.0
160.08829	0.8
161.06078	0.9
161.09706	0.9
162.06808	1.3
163.11198	21.9
165.09125	100.0
166.09532	1.1
173.09615	3.4
173.13297	2.4
175.11214	6.0
176.08284	2.0
177.09119	12.7
177.12808	2.3
179.10680	1.7
186.10474	1.8
187.11189	3.2
187.14908	0.9
189.09068	1.3
189.12781	1.7
191.10657	11.5
198.68793	0.7
201.12798	3.1
203.10719	1.7
203.14423	1.0
204.11484	0.8
205.12239	9.9
215.14296	1.9
219.13895	6.2
233.15398	2.5
247.16861	1.3
261.18619	0.8
275.20212	1.1
279.01801	0.7
289.21655	1.4
303.23209	2.2
317.24823	1.4
331.26370	1.4
345.28006	1.3
373.31158	1.6
385.14996	0.7
401.34042	2.7
411.36313	1.6
429.37347	35.5
430.37701	3.8
437.38135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
53.03940	11.8
55.01884	5.5
55.05511	20.1
55.63232	2.5
57.03443	15.8
67.05507	22.1
69.03432	31.8
69.07068	8.5
70.06575	7.6
71.04988	9.8
71.50719	4.1
72.08168	3.5
73.02914	5.7
73.04744	2.4
79.05489	18.7
81.03423	80.4
81.07056	23.1
83.04984	22.5
83.08624	17.0
84.08152	3.7
85.02905	26.0
85.06564	5.0
86.09691	4.1
91.05465	23.7
93.07057	16.4
95.04966	24.0
95.08617	7.7
97.02897	47.7
97.06535	6.2
97.10184	5.8
99.04462	10.0
103.03901	3.5
105.07034	20.5
107.04952	8.0
107.08614	16.2
109.02901	21.9
109.06531	4.7
109.10144	6.3
111.04436	5.3
111.08091	10.4
117.07030	4.1
119.08575	14.7
119.20613	2.5
121.06518	5.1
121.10163	8.3
123.04436	10.9
123.08101	3.4
123.11678	3.8
127.03944	24.3
129.07042	7.1
131.08636	13.0
133.06447	2.9
133.10149	9.1
135.11687	4.7
137.02356	5.5
142.07780	3.4
143.08543	3.2
145.10124	7.3
147.08058	4.2
147.10684	2.7
147.11678	18.6
149.09634	6.2
153.01860	4.5
157.10150	14.0
163.11232	5.3
165.12782	8.7
171.11809	3.4
175.11147	15.9
181.12256	3.2
187.46022	3.0
193.12247	55.5
211.13286	99.9
227.12758	3.0
229.14302	4.2
249.14874	11.2
267.15842	6.0
285.16937	17.0
294.12311	3.5
301.14572	3.6
303.01434	4.9
315.04929	3.5
355.17700	4.3
359.02893	4.9
371.16855	4.6
393.19351	3.2
408.56555	2.6
410.66605	3.0
411.20026	8.9
429.16803	4.3
429.21121	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2123
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
50.35690	1.8
53.03941	7.0
55.01874	5.4
55.05513	15.7
57.03436	12.0
59.04991	2.1
61.02932	3.7
65.03899	2.0
67.05509	16.7
68.60747	2.0
69.03432	28.3
69.07065	7.1
69.27464	15.3
69.27876	4.3
71.04989	7.1
73.02914	4.6
79.05497	17.7
81.03419	90.1
81.07043	19.9
83.04987	21.9
83.08624	25.8
85.02905	22.5
87.04470	2.7
91.05442	16.4
93.07053	16.2
95.04974	25.8
95.08614	10.5
97.02309	2.6
97.02901	47.9
97.06524	5.8
97.10168	5.6
98.20775	3.7
99.04457	8.3
101.02396	3.2
103.03955	2.8
105.07030	15.9
106.97047	1.8
107.04945	6.7
107.08575	9.4
109.02875	14.7
109.06541	4.1
109.10174	2.7
111.04433	8.2
111.08094	11.2
111.12685	1.9
117.06983	5.0
119.08607	14.7
121.06516	3.3
121.10162	10.3
123.08068	3.6
123.11686	2.3
125.09634	5.8
127.03918	13.8
129.05452	5.4
129.07018	10.0
131.08546	11.3
133.06578	2.0
133.10152	5.5
135.08104	2.0
135.11740	2.3
137.09642	2.4
142.07709	2.2
145.10127	2.7
147.08047	3.9
147.11719	12.1
149.02362	5.6
149.09599	4.7
151.07509	3.6
157.10123	12.5
165.12756	2.4
166.46358	1.9
173.09700	2.0
175.11197	12.7
181.12225	2.4
183.06479	2.2
191.10701	5.6
193.05040	3.9
193.12253	60.1
211.13304	100.0
227.12813	4.2
229.14407	3.5
235.13344	4.3
241.26900	2.0
249.14906	7.8
255.93855	1.7
267.15891	4.5
273.14853	3.4
285.16934	15.1
288.56165	2.2
291.39542	1.9
337.16806	3.2
355.17603	5.2
391.17868	2.1
393.19284	3.0
411.20197	5.1
429.11853	6.1
429.21210	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07896	1.6
53.03733	1.5
53.03953	10.7
55.01867	2.3
55.05512	13.0
57.03217	1.3
57.03442	12.3
60.80633	1.6
61.02909	3.1
67.05508	12.9
69.03091	2.3
69.03437	35.8
69.07054	4.6
71.01346	1.6
71.04979	10.9
73.02934	2.5
79.05502	12.4
81.03423	89.4
81.07059	17.4
83.01344	2.0
83.04986	23.0
83.08625	16.6
85.02916	23.1
87.04470	2.9
91.05462	14.7
93.07047	9.0
95.04967	17.2
95.08598	6.1
97.02293	3.2
97.02900	49.4
97.06511	3.1
97.10162	3.9
99.04438	8.2
105.07038	14.0
107.04979	3.2
107.08606	6.0
109.02883	19.6
109.06526	4.4
109.10122	3.7
111.04446	8.6
111.08082	10.0
113.00033	4.3
115.05507	1.6
119.08590	11.1
121.06496	1.7
121.10118	5.9
123.11685	2.1
125.09692	1.7
127.03928	15.6
129.05466	6.3
129.07002	5.2
131.08583	5.1
133.10139	6.3
135.11696	2.0
142.07819	3.5
145.05025	1.8
145.10168	2.8
147.08064	2.7
147.11694	13.0
149.09583	3.8
157.10149	9.7
163.11186	3.0
165.12698	2.8
169.02614	4.8
175.11176	11.4
181.12216	2.8
183.06519	2.0
191.10707	3.7
193.12248	56.0
209.11774	2.5
211.13300	100.0
212.13667	2.0
227.12831	4.5
229.14397	3.8
249.14867	5.4
285.16971	4.8
337.01721	1.9
337.16464	2.1
349.17709	1.6
355.17563	3.4
429.21243	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.8
55.01867	4.4
55.05512	15.1
55.70447	1.0
56.96576	1.0
57.03195	1.3
57.03440	14.4
59.05005	1.0
61.02924	2.6
63.53318	1.0
65.03921	1.8
66.25743	1.1
67.05176	1.4
67.05508	16.9
69.03431	36.0
69.07069	7.2
71.04990	10.1
73.02901	2.6
73.04768	1.3
79.05495	15.5
81.03422	87.3
81.07054	20.1
83.04986	25.8
83.08619	16.6
85.02911	26.5
85.06522	1.3
91.03998	1.4
91.05470	17.5
93.07052	14.5
93.07919	1.1
95.04971	18.7
95.08624	9.4
97.02895	58.2
97.06532	4.9
97.10159	3.5
99.04455	9.4
99.08093	1.2
101.02348	1.3
105.07038	12.8
107.04953	5.6
107.08604	8.7
109.02887	15.3
109.06493	3.4
109.10159	6.2
111.04428	9.3
111.08095	11.5
113.06049	1.2
114.26173	1.3
117.07019	2.7
119.08588	13.1
121.06555	1.7
121.10168	7.0
123.08083	2.6
123.11687	3.1
125.09658	2.4
127.03928	14.8
129.05527	6.4
129.06985	6.7
131.08559	7.4
133.06503	1.2
133.10143	5.9
135.08038	1.2
135.11716	3.4
137.05981	1.9
137.09583	2.4
142.07802	1.7
145.10150	3.8
145.42177	1.1
147.08049	2.9
147.11691	14.0
149.02357	5.2
149.09644	6.1
149.13245	1.2
151.07559	2.6
151.11186	1.5
153.12785	2.9
157.10152	9.5
163.07549	1.3
163.11200	4.9
165.12772	4.2
175.11200	13.7
181.12234	3.7
191.10728	4.5
193.04973	4.2
193.10466	1.9
193.12254	61.7
211.13298	100.0
212.13766	1.7
227.12758	6.6
229.14375	4.5
249.14873	5.9
265.14429	1.3
267.15887	3.2
269.12357	3.0
273.14917	1.1
285.16992	7.7
287.15930	1.1
337.16501	2.3
355.17502	6.9
405.06485	1.3
411.20343	2.6
429.11853	3.6
429.21228	57.5
430.20981	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	11.8
55.01873	3.4
55.05518	12.2
57.03440	19.0
61.02909	1.8
67.05503	16.1
69.03087	2.2
69.03433	35.9
69.07071	6.1
69.79660	1.3
71.04999	8.6
73.02908	3.1
79.05501	15.6
81.03423	97.6
81.07058	19.4
83.04988	32.7
83.08625	22.5
85.02909	27.1
85.06559	2.1
87.04466	2.5
88.07610	1.7
91.05475	15.1
93.07052	12.0
93.45938	1.4
95.04980	23.2
95.08612	6.1
97.02901	59.5
97.03527	2.9
97.06517	4.6
97.10186	3.8
98.20712	2.5
99.04467	9.4
105.07041	14.0
107.04974	6.4
107.08569	7.1
109.02881	20.5
109.06532	3.7
109.10142	3.3
111.04453	11.8
111.08084	11.5
112.45731	1.4
113.05992	1.7
117.07018	1.9
119.04954	1.8
119.08595	11.3
121.06508	2.3
121.10133	5.9
123.08038	1.9
123.11729	1.9
125.09644	3.7
127.03925	13.2
129.05486	5.8
129.06990	7.1
131.08546	9.7
133.06508	3.1
133.10149	5.9
133.92078	1.6
135.11748	1.7
142.07811	2.2
145.05022	1.6
145.10086	3.2
147.08070	3.3
147.11697	14.8
149.09628	4.9
153.12727	2.5
153.48677	1.6
157.10147	9.1
163.11214	4.9
165.12648	3.0
175.11171	15.6
181.12259	3.4
189.12752	1.5
190.05441	1.7
191.10683	3.4
193.12251	60.4
200.20163	2.6
211.13297	100.0
227.12802	4.1
229.14410	3.4
249.14885	6.0
255.23172	2.2
267.15982	2.5
285.17047	6.8
337.16431	2.9
345.47134	1.5
347.48218	1.5
355.17606	5.9
384.16232	1.6
411.20273	3.2
428.40891	2.6
429.21249	54.7
429.31805	7.8
429.41095	2.8
430.21649	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	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21698	1.8
53.03950	11.7
55.01880	4.0
55.05515	13.6
56.48197	1.8
57.03440	17.7
61.02914	3.5
67.05507	14.1
69.03083	2.6
69.03437	32.6
69.07066	5.5
71.05000	8.8
73.02943	2.7
78.55986	1.7
79.05505	12.0
79.88844	1.6
81.03428	89.7
81.07056	15.5
83.01295	2.1
83.04991	25.2
83.08620	19.5
85.02913	23.2
87.34481	1.6
91.05476	16.0
93.07046	9.0
95.04964	19.2
95.08609	7.5
97.02297	3.3
97.02902	52.1
97.03526	2.6
97.06533	6.0
97.10181	3.9
98.20721	3.2
99.04478	9.0
105.07037	13.6
107.04957	5.2
107.08592	6.3
109.02879	14.6
109.06514	3.5
109.10125	2.6
111.04436	10.6
111.08089	10.7
113.05946	2.3
117.07047	1.9
119.04971	1.6
119.08584	9.4
119.83939	1.5
121.10157	6.6
123.08076	2.7
123.11671	2.5
125.09621	3.2
127.03925	12.8
129.05473	6.5
129.07004	7.0
131.08574	8.5
133.06470	3.8
133.10162	7.0
135.11659	3.0
145.10040	2.2
145.37737	1.9
147.08043	3.4
147.11729	12.2
149.09621	5.1
153.12715	2.0
157.10168	10.4
163.11177	2.3
165.12762	4.2
175.11209	16.5
183.06464	1.7
191.10687	2.1
193.10457	2.5
193.12253	60.4
211.13309	100.0
227.12903	5.1
229.14360	5.6
249.14876	6.8
267.16016	3.1
285.16968	8.2
336.16943	2.0
337.16675	2.1
355.17532	4.2
403.45929	1.9
429.21219	57.4
429.26291	4.6
429.31369	2.2
430.21533	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
56.05041	4.0
62.12513	2.3
64.55347	2.4
67.05505	6.8
69.03434	5.8
70.06599	13.1
71.50251	3.2
72.08171	5.3
73.04758	6.6
76.03998	4.1
80.05027	7.4
81.03417	6.2
81.07071	3.8
84.04518	34.2
84.08151	2.5
85.02910	6.3
86.09703	8.7
91.05799	4.0
93.07036	3.2
94.06561	18.2
95.05003	2.6
96.04483	4.3
97.01139	5.3
97.02895	4.2
98.97589	10.3
99.05623	4.0
105.07019	7.0
107.04941	2.7
109.02888	6.5
109.07645	11.1
116.07113	3.8
122.06033	100.0
124.07631	2.9
130.05026	5.5
133.10127	9.9
138.03764	5.8
138.07925	3.3
139.08641	3.3
140.05315	3.0
145.06108	9.1
147.09174	2.9
150.07771	15.2
150.91086	2.4
151.08156	3.8
153.01840	34.1
153.02979	4.4
153.06651	4.6
154.03218	7.1
155.08189	11.9
156.04799	23.6
158.99687	6.6
163.08722	5.2
166.03262	10.4
167.05569	3.3
171.02980	2.9
175.08643	3.5
180.04825	7.5
185.03856	3.4
189.04376	2.3
197.07462	25.8
199.07202	4.0
208.04369	2.4
219.01688	2.6
223.05368	3.0
230.10490	5.7
231.04399	10.9
243.08284	2.6
249.14751	3.1
257.07672	2.9
263.08502	47.8
267.12399	2.4
269.06009	14.5
283.07321	4.7
285.14078	2.7
291.08005	5.7
300.10129	40.9
300.13364	3.5
306.66464	2.3
354.11279	9.2
359.02988	4.8
366.11313	6.4
367.04639	2.7
397.33109	2.8
429.14157	7.5
429.18991	67.6
434.49023	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	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.8
53.97310	1.5
55.01875	3.5
55.05521	10.2
57.03439	15.9
65.33690	1.3
67.05509	12.4
69.03085	2.3
69.03436	33.8
69.07070	3.6
71.05005	7.2
73.02900	2.9
79.05492	11.0
81.03424	84.8
81.07064	14.6
82.03764	1.4
83.04988	22.8
83.08629	18.3
85.02917	24.7
85.06573	1.5
87.04492	2.1
90.47720	1.4
91.05475	14.4
93.07053	11.6
95.04963	17.3
95.08621	6.3
97.02897	51.9
97.03527	3.1
97.06508	3.5
98.03220	1.6
99.04457	5.2
99.94281	1.4
105.07036	16.2
107.04973	2.0
107.08582	4.5
109.02889	11.8
109.06527	3.6
109.10155	3.9
111.04459	10.4
111.08091	10.9
113.05996	1.6
119.08587	12.2
121.06533	1.6
121.10139	5.4
123.08082	1.4
127.03941	11.2
129.05518	4.4
129.06996	7.5
129.77760	1.4
131.08604	7.4
131.24774	1.5
132.30666	1.8
133.10149	5.5
136.38754	1.4
140.81297	1.8
143.08679	1.8
145.10121	2.7
147.11700	13.1
149.09627	4.1
153.12799	1.6
157.10126	7.8
157.73888	1.5
163.11191	3.4
165.12743	2.9
173.09535	1.5
175.11212	13.1
176.72592	1.6
180.45909	1.7
181.12238	1.9
191.10736	3.3
193.12250	52.3
195.87773	1.7
211.13307	100.0
212.13614	2.3
227.12759	6.4
229.14413	3.2
249.14973	4.7
285.17032	5.7
337.16428	2.1
355.17596	5.4
411.20111	4.9
429.21237	54.2
429.31027	6.9
430.21713	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	429.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.8
55.01870	5.1
55.05512	2.0
57.03437	4.9
61.02917	3.0
61.99907	1.3
64.08404	1.4
67.05505	3.8
68.99794	2.8
69.03434	29.0
69.07095	1.8
70.06613	2.3
71.04985	3.6
71.11951	3.1
73.02917	6.5
73.04763	2.5
74.15885	1.4
79.05499	5.3
80.81450	1.4
81.03428	29.0
81.03880	1.1
81.07066	7.8
83.04972	2.9
85.02911	43.3
85.17384	1.5
87.00829	19.7
87.04472	2.3
91.05486	9.4
93.07057	13.1
95.04973	17.3
97.02898	18.5
98.43249	1.6
99.04446	11.5
103.03973	2.4
105.01868	12.1
105.07018	8.8
107.04972	2.2
107.08600	14.2
107.63939	1.6
109.02889	28.6
109.06515	2.8
117.07008	4.9
119.08595	6.9
121.06516	5.5
121.10158	12.9
121.68255	1.6
123.04383	2.4
123.08062	2.4
125.06036	1.7
127.03912	36.6
129.01868	3.3
129.07001	1.8
130.07802	2.5
130.88203	1.5
131.08562	1.9
133.10121	3.7
135.08046	1.9
135.11705	3.3
137.05939	1.9
143.08594	1.9
145.04970	14.8
145.10139	15.4
147.02928	3.6
147.08095	2.3
159.02914	17.1
159.11781	1.5
163.11195	100.0
165.09081	2.4
167.07036	3.5
175.11169	2.9
181.12247	4.8
189.04106	1.6
205.12289	5.9
207.13860	1.5
213.03909	2.4
223.13307	9.8
231.05093	10.5
249.06790	4.5
267.07776	3.5
267.15945	2.3
271.13531	2.4
273.18503	2.5
303.01382	2.5
331.00800	2.3
393.15518	3.0
429.21371	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	427.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60862	2.2
50.76487	2.4
53.03931	8.1
55.01860	11.5
55.05513	100.0
57.03440	21.3
59.04975	2.4
60.63099	2.4
64.46500	2.5
67.05509	43.0
69.03414	11.2
69.07076	19.0
69.45606	8.6
69.46035	8.7
69.62020	2.5
71.04984	6.1
79.05494	68.8
79.53517	2.5
81.03420	87.5
81.07060	53.2
83.04980	19.1
83.08627	50.5
85.02908	27.2
85.06534	3.9
86.33427	2.2
88.20300	2.6
91.05473	31.4
93.07040	24.7
93.66618	2.4
95.04971	32.9
95.08614	12.5
97.02890	10.6
97.06510	5.1
97.10175	44.3
98.20719	2.7
101.06023	2.7
105.07034	25.6
107.04937	5.6
107.07856	4.1
107.08591	38.9
109.02838	2.7
109.06532	3.9
109.10122	7.0
111.04411	3.6
111.08090	13.3
113.05989	3.7
117.07073	3.7
119.08575	23.7
121.06521	3.5
121.10160	15.1
123.08037	3.7
123.11665	3.1
125.09640	46.8
127.03880	4.7
129.07013	11.2
131.08603	12.1
133.06474	3.7
133.10112	8.9
135.08049	2.6
135.11743	3.2
141.23795	3.0
143.10674	9.9
145.10112	4.6
147.08057	4.8
147.11702	21.8
149.09610	5.9
157.10132	13.7
163.11226	4.8
165.12756	3.9
175.11183	17.4
193.12250	90.9
199.13277	16.3
211.11331	5.0
211.13298	77.7
217.14363	12.3
227.12677	3.5
267.15955	23.4
285.17084	8.7
304.26437	2.6
317.21027	11.5
335.22098	6.1
409.25879	18.4
427.19839	10.2
427.26859	58.1
447.51221	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	428.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
55.01862	2.7
55.05521	5.5
57.03429	2.4
57.07076	9.5
61.02927	3.3
68.99825	1.0
69.03435	11.0
69.03783	1.4
70.48447	3.1
73.02921	2.2
77.22865	0.8
81.03417	10.1
83.08627	2.7
84.08118	1.0
85.02911	32.1
85.06520	0.7
87.00836	12.2
89.06034	27.4
97.02889	12.5
99.04451	4.8
101.09657	11.1
104.85529	0.9
105.01868	9.8
107.07072	30.0
109.02889	10.6
117.01885	1.9
127.03922	19.2
129.01817	1.5
145.04962	8.5
145.12239	1.4
147.02866	0.7
159.02876	7.2
159.31218	0.8
163.13303	100.0
164.13605	1.2
170.79543	0.8
213.04024	1.2
231.05052	2.8
418.98611	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03412	28.5
71.50119	27.8
71.50517	35.7
85.02903	33.0
86.06071	40.0
86.90920	28.6
97.02902	27.6
98.97572	46.6
119.01864	17.3
121.49318	18.3
145.01570	22.5
245.05069	18.0
245.11472	24.0
245.14182	17.8
336.33569	19.1
369.06876	19.2
429.04013	100.0
429.12659	56.4
446.36359	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.01873	2.4
56.05021	1.5
69.03428	6.7
70.06596	8.1
70.80067	3.4
70.80407	2.0
71.04968	1.6
72.08160	3.6
73.02890	1.9
73.04772	3.3
79.01854	6.3
79.05521	2.1
81.03418	11.2
81.07010	2.1
84.04508	16.7
84.08163	2.3
85.02918	6.2
86.09693	4.9
87.04472	2.5
91.05816	2.1
92.27183	1.9
94.06580	5.5
97.01094	2.3
97.02886	4.2
98.97578	2.9
105.07050	2.3
109.02878	10.0
109.07629	4.7
110.06040	2.5
115.03930	5.3
121.02853	11.7
122.06036	37.8
123.02683	2.0
124.07575	2.5
125.02367	1.8
126.02117	1.6
127.03917	12.8
130.04968	1.7
133.10150	2.3
143.03380	3.3
145.04964	2.5
145.06078	2.4
150.07741	7.2
153.01834	100.0
153.02872	4.5
154.03259	2.8
155.08159	5.7
156.04733	7.8
159.04375	1.7
165.05376	1.7
166.03230	4.3
171.02896	10.7
180.04733	1.9
197.07428	5.6
231.04401	4.0
255.92122	1.9
263.08447	15.6
269.05905	4.0
291.08026	3.3
297.06158	7.6
300.10101	14.6
303.01520	2.4
315.07312	4.1
328.99603	2.5
331.00687	1.8
354.11227	2.7
359.02792	1.7
366.11084	5.4
429.14301	3.8
429.18787	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	426.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31067	1.7
55.05509	2.6
57.03442	10.7
61.02933	2.0
67.05492	3.9
69.03417	3.5
69.45467	7.1
69.45869	3.4
70.06585	5.5
71.04998	75.4
72.59604	1.7
73.02900	3.7
75.04485	4.7
77.41726	1.7
83.04970	7.0
83.08622	1.9
85.02911	100.0
85.96632	2.0
87.04463	2.3
95.08580	1.8
97.02878	7.3
98.21495	3.4
99.04453	2.4
102.20222	1.8
105.52901	1.6
107.04978	2.0
109.02898	1.8
109.10168	3.5
111.04436	5.2
112.07577	2.7
119.67903	1.8
126.74584	1.7
127.03917	5.7
129.05484	42.9
140.07060	1.9
145.04933	5.9
146.08179	1.8
147.06531	21.1
151.71767	1.7
156.24174	1.7
163.06033	3.2
164.09158	6.0
229.14333	6.9
405.04636	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	427.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98300	0.9
53.03950	1.0
55.01859	0.9
55.93516	3.1
56.94319	4.2
60.95433	0.8
69.03408	2.3
70.06601	1.3
70.95861	3.0
71.05720	0.8
71.06042	1.4
72.93792	11.2
74.95335	1.5
76.81857	1.0
81.03410	3.3
82.95857	1.0
83.01300	0.9
85.02914	2.3
86.95337	1.1
90.94854	4.8
91.05474	1.3
97.02904	10.7
102.94809	1.5
103.05468	2.0
109.02882	1.3
115.05469	3.1
116.96397	0.8
117.07017	2.8
118.94273	1.1
120.08129	1.1
123.04422	5.0
124.07647	0.9
126.98495	1.0
127.03915	0.9
128.96346	3.9
131.04924	3.2
132.95830	9.1
133.02913	1.1
138.98450	0.9
140.96342	2.6
142.94270	1.6
142.97890	0.9
143.04941	8.9
144.95822	4.5
145.06485	9.9
147.04381	2.3
147.08118	2.1
149.05960	1.5
150.07745	14.3
150.96907	1.6
152.96379	5.2
153.01819	1.0
156.95840	1.5
158.97398	12.3
161.06004	2.8
162.96986	1.5
163.07587	2.0
164.96280	1.0
168.95847	2.1
170.85831	0.9
170.97409	2.8
174.96909	1.1
176.96434	0.9
176.98466	2.9
178.97945	2.9
180.95813	2.5
181.96645	1.6
182.97353	1.6
186.96867	4.3
189.83516	0.7
192.95824	1.3
192.99539	1.1
194.97403	21.3
196.95294	2.0
197.96170	0.8
198.96898	5.0
202.97899	6.5
203.98697	1.2
208.95383	2.8
208.98935	0.8
210.96869	3.1
211.94025	1.5
212.98466	4.3
214.96407	2.0
216.97740	5.7
216.99748	1.3
218.97525	2.0
219.01013	6.5
220.98976	6.7
222.96973	1.2
223.00507	1.6
223.50676	0.8
224.94917	1.2
228.97961	1.8
229.13326	0.8
230.97313	1.3
232.98886	4.1
234.96844	2.6
234.99002	9.8
235.00688	6.3
236.86963	0.8
236.98404	1.8
237.02129	6.0
238.67403	0.9
239.00099	1.5
240.98067	1.4
241.01591	1.0
247.00519	4.1
247.14336	1.1
248.98485	3.3
251.00021	7.7
252.97998	1.4
253.01646	6.1
260.98502	1.0
263.00067	1.0
265.01611	35.1
265.15460	3.3
269.01199	3.5
278.99615	4.6
281.00952	1.2
282.02277	1.5
283.02646	100.0
284.02988	2.5
288.03262	1.0
289.01538	1.0
295.11554	3.2
297.00589	1.3
301.03812	3.6
306.04279	2.8
307.02628	3.1
325.03693	3.1
337.03619	1.8
349.03787	2.3
361.03723	4.2
367.04782	1.6
380.66074	0.9
409.05753	9.5
427.06924	67.4
427.11703	2.9
427.19351	7.5
428.07166	2.6
439.86890	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04548	0.5
57.85670	0.2
60.65115	0.2
70.06587	0.4
70.91940	0.1
71.11649	0.2
91.05467	0.2
94.04055	1.8
96.05630	0.2
103.81277	0.2
106.04087	0.2
106.50282	0.2
111.63302	0.2
114.05578	0.2
119.03577	0.2
120.08118	0.2
121.05102	0.2
123.06684	0.9
133.05090	0.4
135.05423	0.3
150.07759	100.0
151.08081	0.6
173.22054	0.2
220.07521	0.2
282.11960	0.8
295.11517	19.3
296.11777	0.4
312.08719	0.2
377.08417	0.2
427.19803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	17.8
53.11359	2.0
55.01877	16.7
55.05516	20.2
57.03439	22.1
57.07072	2.8
61.02918	2.3
61.72633	1.9
67.05511	23.4
69.03094	3.0
69.03434	42.3
69.07057	9.5
70.78587	2.2
71.01351	2.2
71.04996	18.2
71.26606	2.2
73.02921	2.6
79.05502	21.5
81.03423	100.0
81.07056	23.1
83.01313	3.6
83.04981	33.8
83.08620	8.5
85.02903	15.4
91.05479	15.8
93.07050	35.7
95.04964	7.4
95.08603	16.7
97.02894	42.4
97.06528	9.2
97.10175	5.4
98.20715	4.4
99.04459	16.3
101.02392	3.2
105.07050	10.1
107.04949	5.3
107.08583	23.3
109.02881	16.4
109.06507	3.4
109.10165	10.4
111.04455	18.0
111.08081	6.5
117.07008	7.0
119.08608	10.9
121.06537	2.6
121.10175	10.4
127.03915	33.8
130.19519	2.0
131.08601	4.2
133.10191	4.1
135.08101	5.0
135.11708	22.9
137.05949	3.0
143.08493	2.3
145.10120	15.3
149.09734	2.3
153.12752	28.0
163.11177	25.9
169.13057	2.2
173.09663	6.0
181.12257	18.3
189.11163	3.3
191.10709	11.2
193.12318	2.8
197.05110	2.0
205.12263	2.8
209.11702	14.4
225.88071	2.4
227.12791	34.2
263.12863	4.5
283.15363	5.1
287.13171	2.5
353.15997	12.0
427.19656	90.5
427.28931	6.9
427.35498	3.7
428.19897	3.1
442.18408	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3781
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.76044	3.5
53.03947	4.3
55.05507	16.5
57.07079	15.3
64.79023	3.8
67.05518	37.1
69.07073	55.3
71.04974	5.0
71.08618	4.5
79.05504	20.2
79.70017	3.7
81.07063	100.0
83.08624	25.4
86.09719	10.5
89.06052	7.9
91.05493	14.9
93.07051	43.8
95.08620	90.6
97.10181	12.2
105.07033	33.7
107.08599	54.1
109.10169	70.5
111.11755	6.5
117.07014	8.7
119.08602	37.0
121.06635	3.7
121.10154	50.1
123.11717	37.8
127.11215	14.1
131.08588	13.7
133.10143	30.1
135.11687	45.5
137.13269	12.1
145.10181	19.6
147.11699	29.3
149.13266	34.9
149.47583	4.3
151.14922	3.8
157.10130	7.6
159.11714	25.1
161.06059	4.0
161.13277	26.3
163.07565	8.3
163.14853	18.1
171.11732	3.6
173.13271	14.3
175.14783	17.0
177.11308	4.7
177.16476	15.3
179.14330	3.6
179.49174	3.5
184.07367	14.3
187.14836	11.5
189.16383	18.7
191.17960	10.9
199.14874	4.6
201.09097	26.2
201.16412	8.5
203.10681	6.9
203.17963	12.8
205.12263	13.1
206.92955	3.5
213.16425	3.9
215.17926	10.5
217.19522	13.5
225.12584	3.9
227.18054	5.3
228.98334	4.3
229.19559	13.4
231.21158	11.3
240.15225	3.8
257.22629	7.6
259.24371	4.8
269.22650	5.0
283.24234	4.9
285.25662	6.2
301.25305	5.4
320.20764	4.0
350.53824	3.3
407.36993	20.6
425.21201	3.5
425.38138	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3782
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.32605	3.4
55.05517	6.6
55.57640	3.5
55.61943	3.5
57.07069	4.2
60.09502	3.7
62.47154	3.3
67.05511	23.9
69.07073	28.1
71.19622	7.1
73.61544	4.1
79.05500	14.2
81.07072	41.3
83.08625	7.9
89.06049	4.4
91.05468	9.5
93.07074	23.3
95.08608	75.8
97.10196	4.8
99.20217	3.6
101.21189	3.4
105.07035	21.4
107.08600	38.9
109.10160	54.0
111.11722	4.2
119.08577	24.5
121.10149	32.4
123.11731	22.4
133.10159	16.5
135.11705	24.7
137.13249	16.8
145.10077	6.5
147.11688	14.7
149.13268	14.6
159.11700	11.7
161.13289	13.2
163.14819	12.1
173.13322	5.0
173.53477	3.7
175.14864	7.2
177.16425	8.3
185.13226	4.8
187.14856	5.6
189.16411	14.4
191.17897	20.5
201.16475	6.6
203.17960	12.7
205.19507	8.8
215.18076	5.4
217.19537	12.5
229.19518	5.8
231.21121	6.2
243.21103	5.5
245.22691	7.6
247.20645	10.8
269.22452	4.4
271.24213	4.4
313.28671	4.1
354.88995	4.2
407.36713	15.4
425.32346	5.4
425.37900	100.0
426.37808	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	425.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91833	6.9
69.63426	26.3
69.63850	22.5
71.71618	6.3
98.21612	7.4
101.00879	14.9
112.89607	86.4
113.97354	7.4
114.89334	21.2
119.01942	10.9
129.25482	6.3
131.01872	6.9
143.01900	13.5
145.03490	16.5
155.01921	30.9
157.03447	20.7
161.02994	17.5
173.02959	26.3
185.02957	26.0
203.03966	17.5
212.29181	7.7
221.05013	63.1
239.06161	28.3
245.05115	42.9
250.83928	7.0
263.06168	99.6
275.06100	100.0
284.87201	8.1
305.03992	9.6
305.07260	36.1
365.09329	38.7
383.10770	17.5
425.11401	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55497	0.7
59.00587	0.7
69.57916	4.4
70.04910	0.6
70.99845	0.9
82.99817	3.7
85.02867	0.8
97.02898	2.3
98.21506	0.9
98.39566	0.6
98.97566	1.1
101.00890	20.5
113.00901	5.4
115.02447	0.7
115.99226	0.7
119.01155	1.3
119.01932	16.7
127.02400	4.3
131.01924	7.3
139.02380	2.7
139.06184	0.7
143.01910	43.3
144.02072	1.0
145.03470	7.3
153.01814	1.4
153.03926	1.0
155.01904	16.5
157.03465	6.4
161.02972	38.6
162.03188	1.3
167.01918	12.0
169.03474	3.9
169.04747	0.8
171.05072	1.8
173.02975	18.0
175.04575	1.3
179.01912	5.3
181.03441	0.8
184.04601	0.8
185.02971	32.8
186.03088	1.0
187.04529	4.1
191.04044	2.3
197.02972	13.1
203.04012	15.7
209.02928	1.0
215.04012	6.4
221.05063	2.1
227.04042	9.8
233.05057	1.4
245.05099	100.0
246.05217	4.0
257.05032	6.6
263.06140	23.8
275.06143	13.6
293.07178	2.9
298.94958	0.7
300.90967	0.9
305.07169	8.5
313.44040	0.7
335.08197	2.6
365.09265	6.1
425.06226	4.2
425.11353	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1419
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
52.42273	0.5
67.05492	0.5
69.03427	0.7
69.86535	0.5
70.06574	0.7
71.06107	1.2
72.08125	0.6
81.61406	0.5
87.58541	0.5
91.05479	2.1
101.90215	0.6
123.04510	0.6
137.44200	0.6
140.36653	0.5
145.03427	0.6
153.01834	2.3
190.24768	0.5
263.08810	0.6
274.68295	0.6
293.10028	0.9
311.09821	1.4
319.02274	0.6
354.51660	0.5
381.35648	0.6
425.14194	100.0
426.14514	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51452	0.6
56.96561	1.2
68.30078	0.7
69.03429	1.7
70.35028	2.4
81.03445	0.9
82.99835	1.5
83.47551	0.7
85.02877	2.3
97.02899	1.3
98.97576	1.2
101.00898	7.5
103.00652	1.2
105.82864	0.9
110.97579	0.8
113.00854	1.8
119.01929	7.4
121.01680	0.8
122.07150	2.0
127.02410	2.1
127.03906	0.9
128.98602	0.9
129.03926	0.8
131.01891	2.7
133.03424	0.9
139.02357	1.1
143.01907	14.8
145.03461	4.2
147.03207	0.9
155.01884	7.7
157.01700	1.2
157.03467	2.1
161.02969	12.4
167.01926	6.3
169.03406	1.4
171.05049	1.0
173.02995	8.1
177.02429	0.9
179.01898	2.2
185.02954	14.2
187.02802	1.1
187.04536	1.8
191.03970	1.3
197.02956	5.4
201.00705	1.7
203.04027	5.5
215.04083	3.6
219.01733	1.2
219.07074	1.2
227.04030	2.8
230.53871	0.8
245.05095	43.2
247.05057	0.9
257.05090	2.6
259.02490	1.1
263.06158	8.9
271.53745	0.8
275.06137	7.2
277.03329	1.4
282.88864	0.8
293.07175	1.2
303.01178	2.3
304.52173	0.9
305.07166	3.3
321.10120	2.0
335.08264	5.7
349.08017	1.8
361.04388	0.9
365.09225	2.9
377.07632	1.4
393.07181	2.8
407.05750	1.2
425.06845	100.0
426.06967	1.0
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	Pachysandienol B
Peak:m/z	Relative Intensity
50.90448	1.3
55.05500	4.7
57.07070	3.8
63.71672	1.5
67.05512	11.8
69.07073	17.9
69.81173	6.7
79.05483	5.0
81.07063	27.7
81.46618	1.8
83.08623	5.3
91.05472	3.7
93.07043	14.5
95.08611	54.0
97.06478	2.8
97.10154	3.4
105.07037	9.4
107.08601	27.1
109.10161	38.4
111.08088	1.9
111.11707	6.3
119.08594	14.8
121.10155	23.4
123.11706	14.7
131.08568	3.8
133.10117	15.7
135.11699	17.4
137.13266	14.5
143.08542	1.8
145.10139	2.7
147.11685	10.2
148.85063	1.7
149.13281	12.7
151.14978	1.6
159.11737	6.8
161.13284	10.5
163.14810	8.6
173.13290	6.3
175.14835	6.3
177.12714	1.7
177.16415	6.1
179.14334	3.8
187.14844	4.9
189.16414	8.5
191.17992	17.4
201.16432	4.5
203.17995	9.2
205.19525	10.6
207.17485	4.1
215.17998	8.1
217.19485	7.7
219.21104	2.2
219.62248	1.6
229.19586	3.7
231.21123	2.4
233.19000	2.8
240.54507	1.8
241.19463	1.8
243.21095	2.8
245.22571	8.0
247.20605	12.7
255.21088	1.7
257.22681	3.2
259.24353	2.0
261.22134	2.5
269.22717	3.4
271.24231	5.2
273.25967	1.8
283.24350	1.8
285.25864	1.7
290.38474	1.5
294.18011	1.3
407.36777	20.2
425.37799	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	423.3624
Annotation	Glochidone
Peak:m/z	Relative Intensity
55.05519	7.4
57.07062	3.7
59.04998	1.6
59.54191	1.0
67.05504	12.9
69.07078	18.3
69.30698	4.0
69.31125	7.0
79.05487	6.7
81.07062	26.9
82.24468	1.1
83.08625	4.6
87.39503	1.2
91.05492	6.3
93.07037	10.5
95.08616	53.3
97.06531	1.9
97.10149	4.4
102.35911	1.2
105.07042	10.2
107.08603	25.4
109.10167	28.8
111.08126	2.7
111.11706	6.8
119.08589	20.7
121.10155	24.3
123.08069	3.9
123.11707	13.7
129.06967	1.6
131.08575	7.8
133.10144	20.0
135.08066	3.8
135.11697	14.2
137.09665	3.3
137.13254	8.4
143.08586	4.7
144.09306	1.6
145.10133	13.7
147.08051	1.9
147.11716	9.1
149.09622	8.8
149.13223	8.5
156.09357	2.1
157.10135	4.8
158.10896	4.6
159.11693	21.7
160.12299	1.3
161.09636	7.9
161.13318	7.1
163.11238	1.7
163.14821	7.0
170.10909	1.7
171.11676	8.9
173.13281	46.8
174.14043	5.7
175.11241	7.0
175.14828	23.2
177.12747	2.3
177.16342	8.0
184.12494	4.1
185.13303	4.9
187.14780	7.2
189.12737	2.3
189.16473	5.7
191.17946	18.2
193.15921	2.3
199.14874	9.4
201.16428	4.3
202.13577	3.0
203.14372	1.7
203.17973	4.1
205.15907	3.5
205.19504	8.5
207.17578	1.6
213.16432	5.1
215.18033	7.2
217.15889	65.4
217.19513	4.3
219.17494	1.9
225.16277	1.5
227.18015	2.4
229.19537	2.3
231.17461	12.3
233.18919	6.1
241.19531	3.4
245.19061	3.5
247.20653	1.7
249.79189	1.2
259.20569	2.0
281.07111	1.4
281.22687	1.7
283.23749	1.4
283.71490	1.3
331.78625	1.6
405.35199	18.4
423.36237	100.0
424.36636	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	424.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.0
51.64252	0.5
53.03942	1.3
53.40666	0.5
55.01872	1.3
65.03934	1.7
69.03415	2.2
69.07047	0.5
70.06586	0.8
71.04992	0.8
71.50452	1.0
72.08184	0.6
79.01873	3.4
79.05481	0.5
81.03419	9.0
81.07084	0.5
85.02917	3.8
92.04990	2.8
95.05001	0.6
97.02910	3.7
97.06548	1.3
99.04527	1.0
106.06561	2.4
107.01361	1.5
108.04496	1.5
109.02892	4.9
109.05286	2.6
110.06051	26.2
111.04505	0.8
120.04498	1.9
120.08183	0.9
121.02894	0.6
122.06048	2.5
122.07032	0.5
125.02335	3.9
127.03933	4.9
129.45413	0.7
130.05080	0.7
131.04987	0.6
132.04451	0.8
134.06020	3.8
141.09091	0.7
143.03432	5.6
144.08089	2.1
145.04987	0.9
146.06027	1.4
146.08159	0.6
147.04410	0.6
148.07631	0.7
152.07043	4.2
153.01845	100.0
153.02899	5.5
154.02191	1.4
158.06061	1.7
164.07086	0.7
171.02925	6.0
172.07591	9.6
176.07097	1.4
190.08647	0.7
200.07080	18.8
204.49068	0.7
218.08099	4.6
236.09148	1.2
254.10323	0.9
260.07669	0.5
297.06091	5.7
315.07178	2.5
370.09528	0.6
388.10596	0.7
406.11609	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
53.62823	0.3
65.03947	1.9
66.19695	0.3
69.03431	1.1
69.07079	0.5
69.67285	0.4
69.67602	2.1
70.06604	0.5
71.04977	0.6
79.01866	1.7
81.03430	3.6
85.02919	2.0
85.06566	0.3
92.04999	2.9
93.05785	0.3
95.06138	0.3
95.86973	0.3
97.02888	1.8
99.04478	0.4
107.01297	0.5
109.02872	2.0
110.06053	100.0
111.06387	0.8
120.08131	0.3
123.04445	0.3
125.02375	1.2
127.03920	1.4
141.06618	0.3
143.03424	2.2
145.04936	0.5
147.04437	0.4
153.01845	41.7
153.02881	2.2
154.02199	0.4
155.49248	0.4
171.02884	1.8
172.04230	0.4
233.08937	0.4
262.10791	0.7
278.11218	0.4
297.05957	2.7
315.07135	1.2
424.12247	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	425.0113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11592	0.3
56.96574	1.9
70.47881	1.1
71.39745	0.3
71.95229	0.7
74.93130	1.3
90.44299	0.4
95.22993	0.4
96.50985	0.3
98.97592	16.2
99.97886	0.8
101.00850	0.5
102.92568	0.4
116.97861	0.5
116.98626	7.1
117.98952	0.5
119.01894	0.5
134.99625	1.5
136.93130	0.8
141.64598	0.4
154.94159	0.6
161.02879	0.9
172.86305	0.4
173.03023	0.5
174.97742	0.5
177.00897	0.4
180.96762	0.8
182.99976	0.5
185.02888	0.7
186.00037	0.4
190.87370	1.0
192.98955	0.8
194.97275	1.3
198.97874	1.8
208.88426	1.0
212.98393	0.7
216.98967	8.0
217.99185	0.4
219.02020	0.7
221.38705	0.4
222.97842	1.8
223.98433	0.5
226.89519	0.5
230.94952	0.7
232.96353	0.4
234.96394	0.5
235.00032	9.1
236.00066	1.3
240.98940	17.1
241.99002	1.8
245.05063	1.6
248.91632	0.5
248.96065	0.6
253.01115	1.5
254.99579	0.4
256.96603	1.2
258.99985	48.0
260.00018	8.0
260.99692	1.3
261.02957	1.1
263.02771	0.7
264.03229	0.6
264.98788	3.4
273.98734	2.6
274.97736	2.2
275.97855	0.5
276.97922	0.8
277.01013	25.9
278.01050	6.7
279.00934	1.1
282.01590	0.5
283.00009	100.0
284.00116	10.2
284.99930	1.1
291.99973	1.0
295.01999	0.4
298.97849	1.7
301.01071	89.8
302.01135	7.1
303.01068	1.2
316.99039	1.9
317.98657	0.6
318.98685	1.2
319.02145	3.2
323.98657	0.4
324.02563	1.8
334.92584	0.5
340.99033	0.7
359.00122	0.9
363.82761	0.5
364.99188	1.4
383.00128	1.5
384.00058	1.3
400.93417	0.5
401.01279	4.2
402.01273	3.4
403.00638	0.7
407.00037	6.2
408.00665	0.6
425.01193	53.2
426.01306	6.3
427.01010	1.0
441.98883	0.5
443.02295	87.6
444.02411	9.6
445.02390	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35692	2.1
55.05514	16.9
55.47816	2.4
57.07075	9.5
67.05509	26.5
69.03423	4.3
69.07072	62.5
71.08625	2.9
79.05506	13.0
81.07062	57.6
83.08623	15.1
89.06013	3.3
91.05472	15.3
93.07049	38.3
95.08611	100.0
97.06576	3.2
97.10167	9.2
98.20762	6.9
99.08114	4.6
105.07025	33.8
105.07693	3.1
107.08598	61.8
109.06514	2.8
109.10163	62.6
111.08099	2.5
111.11728	9.0
113.09695	2.3
114.56958	2.2
117.06989	3.5
118.16743	2.5
119.08595	39.9
121.10145	61.6
123.08103	6.3
123.11700	27.2
131.08565	19.2
133.06561	3.0
133.10147	56.1
135.08069	5.7
135.11708	30.4
137.09613	3.2
137.13246	13.2
139.11238	4.5
143.08575	9.0
145.10130	23.6
147.11697	28.4
149.09685	6.7
149.13287	13.6
151.14832	9.4
157.10139	14.6
159.11708	34.9
161.13245	16.0
163.11201	2.0
163.14864	6.9
169.10126	5.9
171.11755	10.0
173.13261	31.5
174.14091	2.5
175.11189	3.2
175.14853	24.5
177.16409	21.1
179.14328	3.5
183.11690	3.4
185.13275	9.4
187.14864	13.1
189.16371	17.6
191.17976	55.4
193.15910	6.9
197.13220	6.0
199.14792	12.2
201.16406	12.6
203.17969	35.2
205.15945	3.3
205.19530	7.1
207.17441	2.7
211.14789	5.5
213.16473	7.3
215.18010	12.3
217.15929	39.4
217.19530	31.1
219.17451	13.3
227.18008	10.2
229.19527	4.1
231.17505	5.1
231.21323	2.6
233.19109	8.8
241.19537	6.0
245.19095	8.5
245.22873	3.2
247.20665	2.7
252.19144	2.5
253.19397	3.1
255.21066	7.0
259.20648	6.7
267.21185	6.5
269.22668	15.8
273.22153	3.0
281.22635	3.6
283.24350	3.2
285.22131	16.7
295.24243	11.8
297.25668	4.2
309.25684	4.4
313.25378	5.5
327.27133	2.9
349.28812	3.1
405.35172	57.5
423.30899	4.3
423.36298	84.0
424.36926	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	423.3624
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.03935	0.8
54.60632	0.5
55.05513	3.0
57.07074	1.3
65.03954	0.5
67.05512	4.4
69.03434	0.6
69.07075	7.1
69.19630	4.4
71.05013	0.6
71.08630	0.8
72.08132	0.5
79.05496	3.6
81.07063	11.0
83.04960	0.4
83.08617	1.8
85.06537	0.5
86.09728	2.7
91.05486	3.1
91.43388	0.4
93.07056	7.2
95.04977	1.6
95.08615	17.2
97.06547	0.6
97.10152	1.2
98.21497	1.1
105.07036	5.9
107.08600	13.7
109.06521	1.5
109.10169	9.5
109.10924	0.6
111.11714	1.8
117.07066	0.7
119.08574	6.7
121.06532	2.0
121.10157	11.0
121.11053	0.7
123.08064	2.0
123.11723	7.2
131.08539	2.2
133.10150	6.4
135.08080	2.8
135.11703	6.8
137.09613	0.7
137.13257	4.4
141.59828	0.5
143.08566	1.2
145.10139	3.4
147.08070	0.9
147.11720	3.9
149.09685	1.3
149.13274	8.1
151.14832	1.3
152.36627	0.4
157.10172	2.2
159.11711	3.3
161.09637	2.4
161.13271	2.7
163.11197	0.9
163.14844	2.4
166.83336	0.4
169.10152	0.6
171.11699	1.5
173.13312	2.6
175.11234	1.5
175.14848	2.8
177.12836	1.0
177.16423	2.2
179.14252	1.1
183.11659	0.7
185.09650	0.9
185.13287	1.7
187.11226	1.1
187.14847	1.4
189.16389	3.8
191.17949	3.7
197.13214	0.7
199.14787	2.7
201.09077	0.9
201.12718	0.6
201.16496	1.2
203.14371	0.5
203.18054	0.7
205.19566	0.5
211.14822	0.9
213.16434	1.2
215.17987	2.5
217.15900	5.9
219.17476	3.0
224.15663	0.5
225.12871	0.5
225.16302	0.8
227.17920	0.7
229.15921	0.5
229.19623	1.2
231.17511	1.9
231.21059	0.5
233.19041	1.4
239.18005	0.6
241.19492	1.7
243.21165	1.0
253.19647	0.5
255.21179	1.2
257.22696	1.3
259.20599	2.0
267.21118	1.6
269.22800	0.8
271.20639	0.8
271.24109	0.6
273.22183	1.0
283.24237	0.6
285.22214	5.0
287.23544	0.7
295.24213	1.0
303.66995	0.5
313.25061	0.5
321.25797	1.4
327.27029	0.6
331.26331	0.8
379.33716	0.6
405.30536	0.6
405.35245	5.7
423.36252	100.0
424.36563	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01864	1.1
55.05298	0.9
55.05515	8.6
57.03427	3.1
57.07081	5.2
58.50261	0.8
65.03927	1.5
67.05508	29.0
69.03405	0.8
69.07076	15.7
69.84682	2.4
69.85098	2.8
71.04993	2.4
71.08622	2.5
74.55851	1.0
77.70787	1.0
79.05489	10.8
81.03423	1.2
81.07060	24.1
83.04990	1.8
83.08617	6.9
84.50160	0.9
85.06558	2.2
89.05995	1.0
91.05486	8.1
93.07053	15.3
95.04967	1.8
95.08612	21.4
97.06548	3.9
97.10159	1.4
99.08122	1.7
105.07050	10.3
107.08611	12.5
109.06526	14.2
109.10166	17.9
111.08079	2.9
117.07040	1.5
119.08590	10.8
121.06540	1.2
121.10140	10.6
123.08073	47.9
123.11719	4.9
124.08438	1.1
130.07726	0.9
131.08591	2.9
133.10133	7.2
135.08066	9.2
135.11699	5.1
137.09625	3.4
137.13246	1.6
143.08554	1.9
145.10175	6.9
147.11702	4.3
149.09647	3.5
149.13249	6.1
157.10178	3.0
159.11746	5.3
160.98210	0.9
161.13332	1.4
163.11220	1.1
167.14296	1.3
171.11739	2.3
173.11798	3.1
173.13268	1.7
175.14871	1.8
177.12794	5.1
177.16467	1.9
179.14322	37.7
181.53995	0.9
185.09703	1.3
185.13394	1.1
187.14886	1.9
189.16473	2.0
191.14365	1.2
191.17950	1.0
193.15910	1.6
199.14868	1.1
200.40143	1.0
201.09212	3.0
201.16393	1.6
203.14319	1.1
203.18002	1.4
205.15903	2.0
205.19562	0.9
215.17969	2.2
217.15721	1.1
221.15356	1.2
233.18970	1.8
241.19528	1.2
259.20572	1.9
263.20200	1.7
275.20178	3.1
291.12128	1.1
293.21207	3.3
303.26855	4.5
331.22437	2.1
331.26331	35.5
332.26773	1.2
349.27377	10.1
367.24969	2.8
405.30472	1.6
405.35306	2.2
418.34473	1.0
423.31241	100.0
423.36221	8.3
424.31555	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	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01878	1.8
55.05518	14.2
55.44166	0.7
57.03447	4.7
57.07071	1.6
59.05004	3.0
59.47786	0.7
60.40075	0.8
65.03944	2.3
66.16357	0.8
67.05511	100.0
68.05846	1.1
69.03436	1.1
69.07078	11.7
69.38650	6.0
71.04992	3.3
73.02899	1.0
79.05499	20.6
81.03433	1.5
81.07063	47.1
83.04994	2.6
83.08624	9.9
85.06550	3.1
91.05491	13.5
93.07052	28.5
95.04984	2.9
95.08610	11.8
97.06551	5.5
97.10183	1.5
98.21465	1.6
99.08096	2.1
105.07040	3.7
107.08607	13.6
109.06550	1.2
109.10165	57.4
111.08109	4.6
112.28781	0.7
117.07024	4.6
119.08601	4.6
121.06557	0.9
121.10155	7.4
131.08598	4.5
133.10150	3.9
135.08067	1.1
135.11678	4.1
137.09619	2.8
139.11243	0.9
141.52269	0.8
147.11681	0.9
149.13261	15.8
149.14392	1.2
151.11166	0.8
155.10704	5.9
159.11703	6.9
173.11746	16.1
177.12811	3.1
177.64996	0.8
179.83640	0.7
195.13826	7.2
274.72723	0.8
310.59567	0.8
421.30063	0.8
423.27451	42.1
424.27942	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01886	1.8
55.05517	20.9
57.03434	5.5
57.07073	4.8
59.04996	3.9
65.03952	3.1
67.05510	100.0
69.03426	3.2
69.07073	21.0
70.48141	1.3
70.48499	4.4
71.05003	7.3
71.08636	3.5
77.56173	1.3
79.05079	1.3
79.05498	30.2
81.03397	1.9
81.07063	60.6
83.04990	3.9
83.08626	14.5
85.06551	6.3
91.05487	19.9
93.07050	35.9
93.07639	2.1
95.04975	5.2
95.08614	26.0
95.09177	2.7
97.02889	3.3
97.06522	7.0
97.10155	4.3
99.04434	1.5
99.08084	3.0
104.23953	1.3
105.07026	10.6
107.08602	21.3
109.06526	14.6
109.10166	60.6
111.08100	7.9
112.46754	1.3
117.07007	5.1
119.08601	12.5
121.06514	1.9
121.10168	15.5
122.07301	1.6
123.08073	46.6
123.11716	4.8
125.09654	1.6
131.08560	6.2
133.10158	9.7
135.08087	13.0
135.11723	8.0
137.09627	6.1
140.60754	1.3
143.08621	1.7
145.10136	5.6
147.11714	4.0
149.09627	3.7
149.13240	16.5
155.10690	7.6
159.11713	8.2
161.13263	3.0
163.11278	1.4
165.12827	1.9
167.14392	2.4
173.11795	12.8
173.13252	2.0
175.14832	1.6
176.81270	1.3
177.12703	6.7
179.14325	42.9
187.14729	1.7
189.11343	1.6
193.15894	2.0
195.13832	7.7
205.15942	1.4
247.20612	1.5
263.20206	1.3
275.20065	3.6
289.21924	1.6
289.25278	2.3
293.21323	2.7
303.26837	4.0
313.24799	1.8
331.22379	2.0
331.26324	39.5
349.27435	9.4
367.24805	1.8
423.26859	16.0
423.31677	87.1
424.31671	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	422.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	4.4
69.03429	4.8
69.07059	6.6
70.06606	4.8
71.04994	15.1
71.51560	3.2
74.06065	2.5
74.09716	10.9
81.07057	8.8
83.05016	2.8
83.08643	4.6
84.08141	2.8
85.02893	6.8
86.09719	2.4
91.05475	3.2
93.07060	6.3
95.08632	7.2
97.02907	3.9
99.04459	36.2
105.07028	6.2
107.08603	18.8
109.02897	3.4
109.06520	9.3
119.08588	5.1
121.10145	6.8
123.08067	8.9
123.11719	5.1
125.09655	5.7
130.04950	4.9
131.08553	2.6
133.10144	5.0
135.11690	3.1
137.09599	2.5
139.11174	2.3
144.56500	2.3
147.11673	5.5
149.09634	7.0
158.77687	3.0
161.09616	4.4
165.12753	7.0
167.10698	16.3
177.03296	3.9
183.13873	18.0
189.12715	3.1
197.11826	3.3
207.13876	6.1
225.11475	4.0
225.14880	100.0
243.16025	3.2
301.95276	2.4
422.12051	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72969	0.9
53.03952	5.0
55.05513	6.9
55.53150	1.0
57.03412	1.6
57.07084	2.0
59.04963	0.9
65.03934	1.1
67.05176	1.5
67.05502	14.6
68.99786	1.9
69.03432	7.6
69.07072	8.4
71.04987	3.4
74.42910	0.9
79.05487	4.3
81.03422	24.9
81.07072	12.9
83.04987	10.4
83.08646	2.5
85.02919	9.6
85.06541	1.7
87.00823	3.6
91.05480	3.5
93.07051	9.1
93.38567	0.9
94.04040	1.0
95.04955	2.7
95.08618	23.0
97.02897	100.0
97.06507	1.2
98.03183	1.0
99.04453	5.0
99.08086	2.2
100.54331	1.0
105.07029	6.6
107.08606	15.7
109.02882	36.6
109.06514	7.1
109.10162	68.6
111.08054	2.7
113.09612	1.5
117.06994	1.8
119.08590	28.1
121.10153	11.3
123.04385	1.2
123.08076	11.8
123.11725	5.9
125.09608	1.2
127.03925	53.8
133.10138	16.4
135.11702	68.7
137.09634	11.6
138.10355	1.2
139.11188	1.7
145.04990	1.9
147.11713	1.8
149.09663	1.2
149.13254	4.6
151.11176	6.9
151.14833	7.7
153.12770	1.4
159.07942	1.0
165.16313	2.1
173.13275	2.2
175.13324	1.5
175.14836	31.4
193.15898	51.8
211.16925	15.7
213.03929	13.4
243.13817	1.5
267.68057	1.0
283.16855	1.8
291.86081	1.3
301.17966	2.7
348.71524	0.9
357.44519	1.0
405.19281	1.3
423.20276	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
57.65025	0.6
61.52499	0.5
67.05492	1.0
69.03433	0.7
69.07075	0.7
69.29018	5.5
79.05492	0.7
81.07045	1.9
91.05482	1.7
93.07039	2.3
95.04948	0.6
95.08601	0.8
98.20751	1.2
100.76057	0.5
105.07039	1.1
107.08611	3.5
109.10161	0.8
119.08589	0.9
123.04436	0.8
127.03968	0.9
133.10133	0.8
135.11674	1.5
137.02357	0.7
153.01788	0.9
192.59340	0.5
245.06282	5.0
271.04282	0.8
287.05511	1.1
289.05316	3.9
317.06464	0.6
337.16171	2.3
379.17310	14.6
423.16238	100.0
424.16571	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	421.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.1
57.07071	1.4
67.05509	4.0
69.03460	0.7
69.07074	5.9
69.27263	1.2
69.27683	2.6
71.08651	0.6
79.05502	2.7
81.07066	10.0
83.04990	0.7
83.08621	1.5
89.06034	1.7
91.05497	3.0
91.36415	0.4
91.67002	0.4
93.07046	6.2
95.04974	1.0
95.08614	13.8
97.06504	0.5
97.10163	1.3
104.55436	0.4
105.07038	6.1
107.08601	12.3
109.06528	1.3
109.10163	7.7
111.11726	1.8
117.07043	1.1
119.08585	9.8
121.06519	1.3
121.10146	7.8
123.08070	1.5
123.11723	3.8
129.07050	0.7
129.62535	0.4
131.08582	3.0
133.10141	22.7
135.08073	3.5
135.11707	8.6
137.09613	1.4
137.13257	2.4
143.08574	1.7
144.09309	0.5
145.10133	7.1
147.08081	0.6
147.11702	6.3
149.09633	1.8
149.13283	4.1
151.14795	0.5
155.08632	0.4
157.10115	2.3
158.10919	0.7
159.08163	0.5
159.11708	5.0
160.12473	0.5
161.09703	2.2
161.13268	2.5
163.11168	1.0
163.14807	1.7
167.43074	0.4
169.10117	1.4
170.10880	0.5
171.11697	2.2
172.12506	0.9
173.09605	1.3
173.13277	7.3
175.11197	1.6
175.14842	6.1
177.12918	0.5
177.16400	1.1
181.10149	0.6
183.11742	1.1
184.55678	0.4
185.13272	1.8
187.11218	0.8
187.14801	5.7
189.12801	1.0
189.14763	0.7
189.16406	8.6
191.14330	0.9
191.17921	2.6
195.11731	0.6
197.13322	1.9
199.11081	0.4
199.14876	1.8
201.12845	0.5
201.16380	0.6
203.14317	1.3
203.17973	2.2
205.19530	0.4
209.13339	1.0
211.14871	1.6
213.12764	0.7
213.16426	2.0
215.14345	5.6
215.17999	1.5
217.15912	3.0
217.19531	0.6
219.17461	0.6
223.14722	0.8
225.16457	1.3
227.18062	0.8
229.15919	0.9
229.19548	0.9
231.17500	1.1
239.14870	0.5
241.19493	0.7
243.17484	1.0
243.21196	0.7
250.17218	0.5
251.17967	1.0
253.19554	0.5
255.21048	0.7
257.19019	1.8
257.22720	1.0
259.20612	1.7
261.22229	0.4
265.19556	1.4
269.19009	0.4
269.22540	0.5
271.24222	0.8
273.22113	0.5
283.20609	1.7
283.23990	0.8
299.23627	0.7
301.25488	0.6
313.25354	2.4
316.23547	0.4
327.26938	0.8
393.35220	0.5
403.33542	7.4
406.32660	0.4
421.34683	100.0
422.35007	3.9
425.54810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.108
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92104	0.6
51.02372	1.3
53.03954	3.7
55.01881	1.0
55.05509	0.9
56.96552	0.6
57.03429	2.5
62.60287	0.6
63.95691	0.5
65.03944	0.7
67.05490	1.3
68.99808	0.5
69.03093	0.7
69.03431	10.6
69.75326	2.4
69.75752	0.9
70.06601	4.2
71.04990	3.1
72.08160	0.8
78.03457	20.9
79.05484	0.6
80.05016	3.0
81.03422	22.9
81.07069	1.6
82.33735	0.6
84.08170	0.6
84.48201	0.6
85.02440	0.9
85.02914	10.2
86.09700	1.8
86.89401	0.6
91.05486	6.1
92.05821	0.9
93.07044	2.7
95.04983	1.4
95.08607	1.7
96.02123	2.5
96.04482	6.7
97.02898	4.9
97.06509	1.0
98.20825	0.9
98.97597	2.8
99.04465	3.1
105.07034	1.9
106.02921	71.1
107.03292	0.8
107.04892	0.6
107.08579	1.0
109.02136	0.9
109.02886	14.6
109.06546	1.4
118.60577	0.6
119.08584	2.1
120.08148	0.6
121.02898	1.3
121.06532	0.8
123.08071	1.7
124.03959	100.0
125.04324	1.0
127.03922	9.9
127.07483	0.8
133.10165	1.1
135.11641	0.8
137.02344	50.6
137.05959	1.5
137.09525	0.9
144.08073	0.9
145.04979	2.1
147.11710	1.0
148.12033	0.7
149.09636	1.3
150.43205	0.6
151.11206	1.7
153.01730	0.8
157.07680	0.9
161.09575	0.8
166.05023	1.3
179.03290	0.7
179.10686	4.1
179.14445	0.7
190.05005	0.7
196.06023	0.6
197.11739	8.6
202.05087	0.8
207.10182	1.4
207.13838	1.4
208.06000	1.0
225.11255	7.8
225.14865	1.5
229.15677	0.9
232.06049	0.8
243.12177	1.8
243.63841	0.7
250.07118	33.6
251.07388	1.0
258.48941	0.6
260.09073	1.3
264.10184	0.7
268.08154	33.3
301.11844	0.9
327.07422	1.1
328.07849	0.9
333.04410	0.9
404.09741	20.7
406.92722	0.7
422.10718	14.2
422.15820	1.2
423.10803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.8
57.07074	4.4
59.05000	3.1
63.06384	1.2
67.05501	13.5
69.07072	17.1
69.69273	1.6
71.08629	2.4
71.52132	2.1
79.05491	8.8
80.65772	1.1
81.07056	27.4
83.08617	5.7
89.06042	2.9
91.05490	7.0
93.07048	20.3
95.04976	2.0
95.08611	49.3
97.06496	1.6
97.10185	4.1
105.07034	23.0
107.08594	35.4
109.06521	3.0
109.10165	28.5
109.26770	1.2
111.08097	1.9
111.11726	5.1
112.56848	1.3
117.07019	3.9
119.08583	29.4
121.06496	1.4
121.10147	34.9
123.08099	3.3
123.11703	11.0
125.09640	1.4
128.06195	1.5
129.07011	3.6
131.08575	12.7
133.08589	2.4
133.10130	27.8
135.08052	5.0
135.11707	17.3
135.45126	1.3
137.09641	5.6
137.13242	7.0
142.07718	1.7
143.08585	12.0
144.09328	4.5
145.10115	16.7
147.08032	3.7
147.11694	19.1
149.09628	11.3
149.13217	6.8
155.08583	3.2
156.09351	1.7
157.10156	10.7
158.10944	6.0
159.11705	27.1
160.12433	2.0
161.09604	7.7
161.13249	15.1
163.14816	3.5
169.10124	3.8
170.10977	2.1
171.11705	9.1
172.12329	1.6
173.09741	1.6
173.13278	43.8
174.14026	4.6
175.11234	5.6
175.14838	26.3
177.16399	9.4
183.11749	5.5
184.12515	6.2
185.13264	8.8
187.14844	9.8
189.12817	2.3
189.16418	7.6
191.14346	2.2
191.17957	43.6
191.19604	2.8
192.18344	2.0
193.15863	7.9
195.11716	2.0
197.13283	3.5
199.14827	15.7
200.15601	2.5
201.12762	1.9
201.16409	5.7
202.13503	2.6
203.14299	11.3
203.17879	8.3
205.19470	3.0
207.11682	1.6
207.17476	6.9
211.14903	3.9
213.16341	6.7
214.17307	1.4
215.18005	5.9
217.15884	99.9
217.19513	8.1
218.16277	3.0
219.17526	2.4
225.16394	5.2
227.17972	4.2
229.15903	1.8
229.19659	2.1
231.17416	10.8
231.21005	1.9
239.15225	1.8
239.17923	2.5
243.17479	18.8
245.19043	2.2
255.21158	2.0
257.19028	4.5
265.19623	3.0
277.68793	1.4
283.20624	2.8
283.24030	1.4
285.25964	1.6
293.22656	2.0
294.36584	1.3
297.22064	1.6
311.23669	3.0
363.30545	2.3
403.33627	18.1
421.34735	100.0
422.35049	3.5
448.91891	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.31
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.2
56.42974	1.1
57.07079	19.8
67.05511	17.1
69.07072	4.9
69.40730	7.7
71.08643	1.6
79.05496	5.8
81.06587	2.2
81.07062	35.9
83.08631	3.0
85.12759	0.9
86.09711	3.5
89.06039	4.5
91.05491	3.1
93.07050	8.8
95.08611	84.7
96.08959	1.2
97.10170	1.6
105.07053	5.7
107.08607	6.7
109.06541	7.3
109.10153	13.3
117.07005	1.3
119.08587	2.5
121.10165	2.9
123.08051	1.7
123.11707	2.0
129.06999	1.7
131.08597	3.2
133.08632	1.7
133.10152	3.9
135.11667	2.9
137.05893	1.2
137.09631	3.6
137.13261	100.0
138.13641	1.9
143.08614	1.6
145.10130	3.8
147.11694	2.6
149.09572	2.7
149.13307	2.2
157.10123	3.5
159.11713	2.7
161.09656	1.6
165.12804	6.3
169.10136	1.6
171.11642	1.3
181.10147	1.3
183.11740	2.5
197.13287	1.6
201.09198	2.5
215.14322	1.6
215.17882	1.2
216.68146	1.2
237.16391	1.4
239.18011	6.6
242.42380	1.1
257.18954	6.0
279.64038	1.0
309.21924	1.6
319.20728	1.7
321.22119	1.3
325.21695	1.2
329.24911	1.2
379.30014	2.3
393.31424	3.3
403.29944	2.8
421.30902	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	421.2586
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03933	6.4
54.49242	2.3
55.01862	7.9
55.05514	30.2
56.04975	2.2
56.38009	2.5
57.03446	13.4
65.03925	4.9
67.05510	76.1
69.03432	4.1
69.07052	10.9
71.04991	5.8
79.05496	44.7
81.03422	37.9
81.07061	45.3
83.04989	6.7
83.08633	17.3
85.06528	3.7
89.82584	2.3
91.05487	54.7
93.07046	38.1
95.04979	62.3
95.08175	2.5
95.08620	28.6
97.02884	3.0
97.06479	3.2
97.10193	14.8
98.21538	4.6
103.05460	3.0
105.04487	2.7
105.07045	26.9
107.04964	26.6
107.08615	13.6
109.06516	10.9
109.10179	35.1
110.23895	2.8
111.08093	6.8
117.07056	18.1
119.04942	3.3
119.08600	25.7
121.06510	24.0
121.10129	13.8
123.08047	6.9
125.09660	12.9
128.06152	3.5
129.06995	20.0
131.04938	4.9
131.08594	21.5
133.06471	5.1
133.10118	10.9
135.08054	10.4
137.09610	9.8
141.07027	4.1
142.07820	3.8
143.08571	12.8
143.10402	2.4
145.06480	5.0
145.10136	14.6
147.08041	7.9
147.11700	8.6
149.09618	9.3
155.08542	4.1
155.10680	4.0
157.06514	3.4
157.10112	11.5
159.11685	10.2
161.09596	7.3
163.11180	9.7
167.08655	2.8
169.10156	5.4
171.08105	4.5
171.11691	2.9
173.09599	2.4
173.11758	5.4
173.13161	3.7
175.11195	9.9
177.12743	5.9
181.10100	2.8
185.09622	5.2
185.13280	3.1
187.11113	3.1
189.09105	6.7
189.11250	8.8
189.12756	3.8
193.12286	14.2
195.11865	3.3
199.11240	6.3
203.10696	11.8
203.12585	4.8
203.14397	3.1
205.12164	4.9
209.13338	3.7
213.12868	3.6
217.12288	3.4
223.13344	5.1
231.13759	4.6
249.14804	11.7
301.21680	8.7
311.20016	15.4
324.10965	2.6
329.21124	100.0
347.22156	13.8
367.22632	3.5
385.23813	6.8
403.24820	48.9
421.25876	79.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2587
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03940	5.2
55.01863	7.2
55.05513	21.9
57.03429	8.6
59.04985	5.2
65.03934	5.5
67.05509	100.0
69.03419	5.2
69.07066	12.2
71.04979	7.2
71.25463	1.9
79.05499	43.3
81.03418	30.6
81.06595	2.7
81.07057	43.7
83.04973	8.6
83.08639	14.4
85.02927	1.9
85.06519	3.3
91.05490	55.8
92.87946	1.9
93.07053	34.6
95.04973	55.8
95.08609	27.9
97.02909	2.6
97.06551	4.2
97.10149	8.9
98.21528	4.1
99.08087	2.1
99.87535	1.8
105.03409	2.1
105.04504	2.0
105.07040	29.6
107.04961	21.8
107.08580	12.8
109.06493	6.9
109.10158	55.8
111.08095	7.4
115.05458	2.6
117.07032	14.0
119.08587	26.9
121.06510	14.7
121.10164	7.8
122.66601	2.1
123.08069	7.2
125.09636	8.3
128.06187	3.0
129.07005	16.2
131.08556	19.8
133.06493	6.1
133.10149	15.0
135.08055	5.6
135.11673	2.6
137.09641	7.9
139.11192	3.4
143.08568	8.3
145.06483	5.1
145.10149	13.9
147.08061	7.3
147.11711	9.3
149.09622	6.0
155.08603	4.1
155.10674	6.6
157.06557	2.1
157.10114	15.9
159.08112	3.8
159.11688	7.7
161.09641	5.3
163.11208	7.6
169.10168	5.3
171.08000	2.1
171.11716	3.0
173.11789	11.5
175.11160	14.8
177.12715	3.3
185.09668	4.5
185.13263	2.9
187.11191	2.8
189.09102	4.3
189.11209	4.8
189.12767	2.7
193.12262	15.0
195.11757	2.4
199.11171	4.2
203.10681	8.9
203.12569	3.8
205.12300	3.4
211.13356	2.3
213.12733	2.8
219.13725	4.0
223.13245	4.7
229.14270	2.6
249.14864	6.8
264.41824	2.0
283.20755	2.2
293.19000	2.4
301.21631	8.1
311.20126	13.9
329.21136	67.8
330.21356	2.3
340.15231	5.4
347.22174	9.1
357.51541	2.0
367.22772	2.0
378.23492	1.7
385.23990	4.0
403.24808	36.9
403.29834	3.2
421.25894	71.8
422.26254	2.8
442.38403	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.2
57.03437	9.0
61.02929	4.8
65.03944	1.3
69.03432	13.4
70.64088	3.1
71.01364	2.1
73.02917	11.6
81.03410	1.5
85.02913	32.5
87.04463	1.8
91.05487	100.0
92.05835	1.3
97.02897	28.9
99.04449	1.6
103.03923	1.3
105.07027	3.8
109.02885	2.1
115.03939	9.1
117.06989	2.1
127.03915	8.4
129.07011	1.5
131.08490	1.6
132.06592	1.6
133.04974	13.6
133.06480	2.2
145.04976	10.1
150.07616	2.9
157.06485	1.9
161.04486	2.5
163.06021	3.4
171.08060	1.4
187.07516	0.9
189.65089	1.1
193.12305	1.2
199.07588	1.7
217.08688	2.2
233.86340	1.0
235.09700	2.6
241.07156	1.2
253.10791	2.4
343.85733	1.2
362.40460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34338	2.5
57.03445	21.1
59.05006	4.5
60.04507	3.4
69.03097	4.6
69.03439	66.5
69.85852	14.6
69.86181	2.8
72.30598	2.3
73.02876	3.3
85.02913	58.4
87.04007	3.4
87.04478	44.6
88.22437	2.7
91.05491	100.0
92.05803	3.4
95.72760	2.8
97.02297	4.3
97.02903	69.8
98.20840	4.2
99.04503	2.8
105.07050	4.2
107.04935	7.8
115.03943	78.3
115.04761	4.0
127.03928	8.1
133.04027	5.4
133.04982	82.1
133.06453	3.3
145.04922	11.2
150.07619	10.6
156.93108	2.5
161.04536	2.8
163.06105	2.8
169.04977	2.7
175.07565	2.5
205.08760	3.1
217.08604	4.9
223.09636	10.8
229.07179	2.9
259.08081	4.1
267.71448	3.0
287.91232	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	421.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01858	7.0
55.05510	22.6
57.03429	8.5
59.04997	4.0
61.79759	1.7
61.85574	1.7
65.03934	3.7
67.05508	100.0
69.03427	5.0
69.07070	11.2
70.64236	6.5
71.04994	5.0
79.05494	41.2
81.03072	2.0
81.03429	20.6
81.06590	3.1
81.07059	43.9
83.04975	11.1
83.08626	15.3
85.06532	4.2
86.54127	2.2
91.05491	53.6
93.07042	33.4
95.04970	46.9
95.08607	23.0
96.37540	1.9
97.06510	6.9
97.10181	9.4
105.07026	25.5
107.04972	21.6
107.08604	14.3
109.06509	6.2
109.10160	51.4
111.08064	5.7
115.05406	2.5
117.07030	13.9
119.08585	22.2
121.06522	15.5
121.10161	11.2
123.08038	7.6
125.09627	8.7
128.06165	2.3
129.07027	15.7
131.04927	3.0
131.08577	21.3
133.06482	4.9
133.10143	14.5
135.08061	6.6
135.11632	3.1
137.09592	7.6
141.06975	3.1
142.07738	2.7
143.08527	6.1
145.06493	3.2
145.10101	8.4
147.08043	7.9
147.11687	9.0
149.09612	6.4
149.13286	2.2
155.08562	4.7
155.10692	4.2
157.06509	2.7
157.10175	13.1
159.08067	2.2
159.11679	11.2
161.09621	2.6
163.11176	7.9
169.10063	2.8
171.11655	3.4
173.11754	12.6
175.11169	10.4
177.12814	3.0
185.09560	2.6
185.13341	3.8
187.11218	2.8
189.09093	4.5
189.11171	4.6
193.12247	17.5
197.13330	3.7
203.10664	5.6
203.12796	4.0
205.12151	2.8
215.14316	3.5
216.06372	2.0
223.13248	5.4
249.14806	6.8
301.21616	6.2
311.20175	12.7
329.21136	57.4
330.21204	1.9
347.22107	7.5
385.23822	2.8
403.24756	32.7
421.25818	62.4
422.26169	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	419.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.4
57.03430	2.0
59.05002	1.9
60.46597	0.9
61.02932	3.1
63.53989	0.9
67.51276	0.8
69.03445	4.4
70.06588	4.3
71.05000	3.2
71.49783	1.2
72.08154	1.5
73.02920	1.0
79.05479	1.3
81.03465	2.0
81.04547	47.8
81.07065	8.0
83.06116	1.6
83.08627	1.5
84.04523	2.2
85.02901	6.9
86.09705	2.0
87.08113	1.3
95.04960	0.9
95.06094	1.9
97.02894	2.9
98.97598	3.9
100.11256	6.8
101.00922	1.0
107.04953	1.9
109.02911	1.7
110.97549	1.0
111.05576	2.6
112.07567	1.3
115.03957	1.0
116.98656	1.0
123.04424	1.2
123.05558	3.1
127.04074	2.0
127.05051	40.9
135.04369	1.1
137.10744	4.4
141.06607	3.6
147.04375	1.0
153.01808	4.5
158.08139	2.0
163.12335	4.6
170.04921	1.7
170.06311	1.7
179.11824	4.1
184.11681	0.8
188.06026	1.3
207.11328	4.4
209.12856	3.0
211.14432	4.8
214.03813	2.3
215.04242	1.3
225.12328	10.9
232.04918	1.5
233.05255	1.7
237.02785	1.5
239.13943	10.4
257.14993	100.0
258.15347	1.4
273.09152	1.5
277.07922	1.1
298.07477	0.9
359.08514	1.8
364.36258	1.0
419.14828	5.4
419.20279	11.1
420.11731	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	420.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53922	1.1
65.80721	1.1
67.11333	1.1
69.52967	7.0
94.92999	2.4
98.21490	1.7
136.94080	6.4
138.93845	2.5
148.94003	2.4
165.70724	1.3
166.95108	3.0
177.96843	1.2
242.37366	1.2
248.89493	1.4
420.03745	2.8
420.12665	100.0
421.12817	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	419.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01851	1.0
55.05510	2.9
57.07051	1.4
59.04992	2.0
67.05505	2.0
69.03423	3.1
69.07088	3.9
69.96780	1.4
69.97159	1.3
71.04993	16.9
73.06567	4.1
79.05504	7.4
81.03426	2.1
81.07060	26.1
83.00470	0.8
83.08659	1.2
85.02910	6.6
87.00840	3.1
91.05490	3.2
93.07047	15.1
95.04989	1.6
95.08617	3.5
97.02906	1.8
97.06522	1.6
99.04499	0.9
105.01884	2.7
105.07046	1.7
107.05015	1.0
107.08607	12.5
109.02926	1.3
109.10166	2.5
111.08105	0.9
112.74627	0.8
119.08546	2.0
123.04439	1.4
127.03910	2.7
135.11697	27.8
144.26050	0.8
145.05048	1.9
145.06468	0.9
153.01843	1.9
153.12753	100.0
154.13104	1.2
160.58345	0.9
167.07077	3.2
168.07436	1.1
173.05847	0.8
174.79697	0.8
181.04944	1.2
185.39902	0.9
209.07962	0.9
271.06064	1.2
313.11264	1.0
344.58923	0.8
356.12833	0.8
419.16019	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	419.134
Annotation	Isoliquiritin
Peak:m/z	Relative Intensity
53.03931	0.4
62.52443	0.3
65.03960	0.6
65.75518	0.3
68.99799	0.6
69.03426	0.5
69.34329	2.9
71.08595	0.4
79.05508	0.4
81.03421	3.1
81.07102	0.4
82.78320	0.3
82.78870	0.3
85.02915	0.8
91.05476	2.8
95.04980	0.8
97.02876	0.5
98.21474	0.6
107.04950	0.6
109.02860	0.7
111.04446	0.8
117.03395	2.3
117.06999	0.3
119.04955	7.7
121.06454	0.3
121.10297	0.3
123.04434	2.1
127.03932	0.6
128.79909	0.4
135.04390	0.6
136.07556	0.4
137.02345	63.5
138.02682	0.4
147.04420	23.4
151.31367	0.4
155.03403	0.7
155.08534	0.5
159.08139	0.4
163.03894	1.9
165.06992	1.1
170.98885	0.4
171.08032	0.4
183.08040	0.6
187.07581	0.6
211.07549	3.4
239.07040	4.3
242.05751	2.8
257.08099	100.0
258.08450	2.6
287.05466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	12.1
55.01879	9.8
55.05508	4.5
57.03445	9.0
57.07080	19.7
59.05004	12.5
61.02924	6.4
61.32404	1.7
67.05511	10.1
68.99808	4.0
69.03432	44.5
69.07078	11.4
69.35535	14.3
71.05011	9.2
73.02923	9.3
79.05499	3.0
81.03425	42.9
81.07055	8.5
83.08630	5.6
85.02908	73.5
85.06550	10.6
87.00835	30.9
91.05487	1.8
93.07047	6.4
95.04964	2.0
95.08615	69.8
97.02898	23.5
97.06529	7.7
97.10185	1.9
99.04468	18.0
99.08100	16.5
105.01871	21.7
107.04989	2.3
107.08582	10.1
109.02893	37.9
109.06505	8.2
109.10184	13.1
111.08051	8.2
111.11733	3.5
113.08887	3.9
113.09648	61.9
115.03931	3.0
117.01861	6.1
127.03928	56.0
127.11195	8.3
129.01855	3.8
135.11700	16.2
137.09749	1.7
137.13277	9.8
145.04980	24.5
147.02898	3.6
153.12755	100.0
155.14314	27.4
159.02910	29.0
171.13802	17.2
185.64218	1.8
186.26495	1.7
213.03787	2.4
213.14879	2.9
231.04980	12.0
249.06068	1.9
419.18982	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	419.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.2
55.01875	6.1
55.05510	3.8
57.03426	4.7
57.07071	13.7
57.80631	1.7
59.05006	10.1
61.02924	4.9
62.88371	1.6
67.05495	7.8
68.99797	3.0
69.03431	27.3
69.07059	8.0
70.90926	5.6
71.04980	7.9
73.02900	7.1
79.05489	4.7
81.03422	22.7
81.07041	7.9
83.04968	3.1
85.02441	3.3
85.02911	46.7
85.06557	9.7
87.00830	20.1
93.07043	9.4
95.04964	3.0
95.08620	30.2
97.02898	17.1
97.06527	6.3
99.04444	11.1
99.08094	16.4
105.01871	14.5
107.04928	2.0
107.08594	10.6
109.02894	23.9
109.06515	7.4
109.10167	11.3
111.08054	7.7
113.09676	16.8
117.01863	2.2
120.69109	1.9
121.08208	2.0
127.03921	45.0
127.11184	8.8
129.01816	4.6
135.11713	13.6
145.05002	13.5
147.02730	2.3
149.02365	2.1
149.05966	2.7
149.92970	1.9
153.12758	100.0
155.14259	6.0
159.02914	18.4
165.92123	1.9
167.07085	9.7
168.07387	3.7
169.07626	3.5
171.13812	18.9
177.05359	1.9
181.04929	2.0
183.06509	2.5
195.13690	3.3
205.80997	2.0
210.11595	5.0
219.10258	2.5
231.04912	6.5
231.10107	2.0
239.15392	5.4
249.27022	2.0
257.16638	2.2
275.16739	1.9
287.05490	4.6
401.15927	3.9
419.14090	2.8
419.21417	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	419.0975
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.01851	0.3
57.03432	0.6
61.02933	1.4
68.99783	0.6
69.03425	0.5
70.00916	1.1
71.01344	0.5
73.02920	12.1
81.03435	0.4
85.02891	1.0
88.52625	0.2
93.07014	0.4
97.02891	0.3
103.05453	0.3
105.03429	0.5
105.07043	0.3
107.04947	0.6
109.02859	0.5
111.00821	0.8
115.03921	0.8
117.78995	0.2
121.02879	3.3
129.06987	0.3
133.02831	0.5
135.04477	0.4
137.02339	1.0
138.33208	0.3
145.06454	0.3
147.04382	0.7
153.01836	4.3
157.06493	0.5
159.46284	0.2
161.06071	0.3
165.01833	2.0
167.07010	0.4
181.04936	0.4
183.02902	1.0
185.06079	0.3
213.05501	2.0
231.06505	0.9
241.04994	1.0
249.11125	0.4
250.76653	0.3
258.05258	1.4
259.06125	0.5
269.04648	0.3
287.05511	100.0
288.05908	2.4
299.05701	0.3
311.15021	0.3
353.06766	0.3
401.16034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.134
Annotation	Isoliquiritin
Peak:m/z	Relative Intensity
53.03941	0.4
53.64305	0.2
55.01873	0.4
65.03946	0.4
67.05505	0.4
68.99796	0.9
69.03429	0.3
70.64539	0.5
70.64867	0.3
79.05502	0.3
80.54494	0.2
81.03420	2.8
81.07036	0.6
85.02915	0.7
88.64346	0.2
91.05486	2.7
92.77757	0.2
93.07030	0.4
95.04961	1.3
95.08636	0.4
105.07058	0.4
107.04951	1.0
107.08597	0.4
109.02863	0.9
109.10173	0.4
110.57318	0.2
111.04435	0.9
111.64853	0.2
117.03379	2.2
119.04948	8.1
121.02843	0.4
121.03987	0.2
121.06545	0.3
121.10180	0.3
123.04440	2.0
127.03912	0.5
133.10219	0.3
135.04428	0.5
137.02342	62.8
138.02699	0.7
147.04414	24.0
147.11642	0.3
148.04733	0.3
149.02325	0.3
153.01884	0.5
153.06931	0.3
153.12732	0.2
155.03410	1.0
155.08640	0.2
161.05969	0.3
163.03905	2.0
165.07005	1.1
167.07089	0.3
171.08014	0.4
173.05853	0.3
181.06413	0.2
183.08154	1.0
187.07565	0.9
194.44934	0.2
197.05933	0.4
211.07561	4.2
215.06992	0.3
229.08728	0.3
239.07042	4.4
242.05731	2.6
257.08093	100.0
258.08450	2.3
287.05652	0.5
295.35220	0.3
368.03134	0.2
442.23065	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12283	3.1
53.03944	8.8
55.01871	10.1
55.05508	7.3
57.03438	8.3
61.02924	9.2
67.05505	9.2
69.03432	40.0
69.07063	6.3
73.02908	11.1
79.05500	18.4
81.03422	28.8
81.07064	39.1
81.95135	3.1
85.02911	100.0
87.00843	38.1
91.03928	3.4
91.05475	22.9
93.07049	94.7
95.04963	5.9
95.08623	22.5
97.02892	39.6
99.04453	12.7
103.04006	3.6
105.01889	32.7
105.06398	4.3
105.07043	39.9
107.04972	4.5
107.08601	59.9
109.02898	29.7
109.06514	5.1
111.04433	3.4
111.39729	2.6
113.89372	2.9
114.41717	3.3
115.03934	5.3
117.07018	4.3
119.08584	7.6
121.10115	5.9
123.04437	4.8
123.11723	2.7
127.03928	53.2
129.01805	4.4
131.08546	7.7
133.06554	3.3
133.10146	29.2
134.10535	3.5
135.08156	4.1
135.11697	86.6
136.12038	3.1
137.13261	13.7
142.07761	3.3
143.08560	6.0
145.04977	26.5
145.10155	9.0
147.11749	3.9
151.11208	8.5
153.12738	7.0
155.08591	5.3
156.09367	3.0
157.10149	9.3
159.02919	22.2
159.08107	4.3
159.11670	4.5
161.09595	16.6
163.11157	8.0
165.12769	9.4
167.07132	21.6
168.07437	17.3
171.11693	5.6
174.06425	4.2
176.14342	4.4
177.12732	6.1
181.05023	7.5
182.05328	5.8
183.11707	6.0
189.03941	4.5
189.09065	4.4
193.12267	10.5
197.13329	5.7
201.04056	3.0
207.11707	4.3
219.04987	4.7
219.13861	4.6
221.11641	4.5
225.12651	4.1
231.05031	10.1
243.13712	9.0
247.34813	3.7
252.68808	3.1
261.14822	6.5
269.70703	3.3
347.14963	4.0
365.16013	4.9
388.14636	4.2
418.15527	8.3
425.70297	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	418.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.3
56.15717	4.0
57.03422	5.2
59.04994	5.4
67.05489	11.1
69.03413	7.2
69.07066	9.8
79.05487	6.9
81.07041	19.3
83.04978	4.4
83.08597	4.1
84.41872	3.7
85.02891	10.9
91.05473	5.8
93.07046	12.4
95.04982	4.5
95.08597	18.0
97.06516	5.7
99.04514	3.9
105.06995	9.3
107.08617	19.8
109.06506	6.8
109.10160	62.7
115.05460	3.9
117.07064	4.1
119.08598	31.8
121.10134	8.5
123.04434	8.1
123.08009	8.7
123.11658	5.0
127.03919	3.9
127.11212	7.1
133.10181	18.1
135.10712	5.9
135.11691	67.4
137.09593	19.2
149.13232	7.4
151.11139	5.8
151.14861	5.9
153.12779	4.5
167.07043	59.6
168.07384	37.3
173.05972	9.7
174.06389	5.3
175.14821	36.4
181.04942	17.9
182.05338	7.7
193.14250	5.1
193.15894	62.1
208.00632	3.9
209.15445	6.7
211.16939	100.0
221.15396	11.8
234.08453	4.5
239.16432	8.5
249.77245	4.2
287.05457	11.2
325.35107	3.8
364.17685	4.2
388.14508	12.0
418.15567	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	418.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.6
55.01871	6.0
55.05506	4.2
57.03445	4.1
61.02929	3.5
61.83840	1.4
65.03933	2.3
65.87298	1.5
68.99769	2.7
69.03436	24.9
69.07069	1.8
70.69838	2.2
70.70186	3.5
71.05003	2.9
73.02922	5.4
79.05491	28.4
81.03423	18.4
81.07060	3.9
84.32214	1.5
85.02909	67.4
87.00832	26.1
88.31680	1.5
91.03983	2.7
91.05485	14.9
91.27170	1.5
93.07050	62.6
95.04965	2.9
97.02893	23.1
99.04449	11.3
105.01869	32.8
105.04595	1.9
105.07030	6.9
105.32067	1.5
107.08601	46.7
109.02884	20.1
117.01845	2.3
117.07025	2.5
119.06110	1.7
119.08610	6.3
120.09383	2.3
127.03921	49.9
127.04817	3.1
129.01862	2.4
130.18787	1.5
133.10132	5.1
135.11699	100.0
136.12062	1.6
145.04964	25.6
159.02902	11.0
166.60863	1.5
167.07065	6.6
168.07437	3.9
173.06091	1.5
181.04994	3.0
182.05345	2.3
213.03949	1.6
231.05029	15.1
248.07674	2.3
249.06047	4.1
349.05359	1.9
408.72223	1.5
418.15622	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	418.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
55.01863	3.2
55.05509	4.9
57.03436	5.2
61.02936	3.6
65.03961	2.4
67.05507	6.5
69.03423	9.2
69.64169	13.9
71.04977	3.3
79.05495	13.6
81.03419	5.4
81.07075	16.8
85.02917	15.9
85.06537	8.7
91.05484	17.5
93.07047	36.3
94.04219	2.3
95.04974	4.6
95.08621	6.2
97.02901	10.9
99.04446	6.3
101.16932	2.1
103.05472	2.8
105.01866	3.8
105.04478	3.4
105.07038	93.5
107.04960	5.4
107.08603	42.7
109.02881	8.2
109.06490	4.7
109.10151	4.0
113.06003	8.5
119.08598	8.5
121.06504	8.2
121.10153	3.4
127.03945	17.3
131.08521	4.3
133.06505	19.1
133.10143	95.9
134.10501	4.5
135.11696	44.9
137.09572	3.2
143.08563	7.5
143.61951	2.4
145.04987	4.1
145.10139	6.6
146.07263	5.7
151.07555	3.5
151.11163	2.9
153.01822	4.4
153.12750	4.0
159.02788	2.3
161.09634	100.0
163.07486	2.6
163.11183	7.2
165.09135	2.7
165.12784	4.0
167.07069	23.5
168.07411	17.3
173.06010	3.3
174.06360	3.1
179.10692	10.5
181.04967	8.6
182.05347	6.4
189.09131	37.0
191.07019	3.0
193.12250	40.0
199.39975	2.4
207.10141	7.4
221.11749	48.8
225.11194	12.0
231.04880	3.4
233.87296	2.2
239.12775	7.9
257.08041	2.7
351.73465	2.1
388.14700	5.3
418.10483	3.0
418.15735	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	418.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88377	1.6
53.03928	2.3
55.60441	1.4
56.96568	10.7
57.03415	1.9
67.98876	1.6
69.03429	6.6
70.06589	5.5
71.50570	2.8
72.08157	1.9
74.06061	1.6
79.05484	2.0
81.03386	3.4
81.04536	7.4
84.04480	2.7
84.08130	2.3
85.02921	10.5
86.09680	4.0
91.05495	2.2
93.07030	2.9
97.02892	6.8
98.97582	12.3
99.04477	2.1
100.11234	1.8
103.05461	7.4
107.04965	3.5
114.97088	2.3
116.98626	5.1
120.08112	100.0
124.03928	3.4
124.07632	2.3
127.03944	3.0
127.05009	6.7
128.98651	2.8
131.04921	2.5
135.04477	1.9
147.04378	3.2
149.05891	1.9
152.07068	6.5
153.01830	15.9
158.99667	3.0
164.05682	19.8
166.08658	43.7
170.04884	13.0
188.05984	16.7
206.07031	3.4
214.03908	22.5
219.01797	6.6
232.04910	25.8
237.02859	4.6
238.03770	1.7
239.13965	1.6
256.04910	5.8
257.14929	11.1
270.68103	2.0
313.25781	2.0
358.08151	13.8
400.44684	2.3
418.13757	9.3
419.14716	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	417.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	2.4
55.05514	2.7
55.19936	1.8
56.72041	2.0
57.03442	14.3
61.02923	2.8
69.03425	6.6
70.06594	8.6
71.04999	51.4
71.50169	2.5
72.08134	2.3
73.02933	3.6
75.04476	6.6
79.05509	3.3
81.03422	3.8
81.07064	3.0
81.24043	2.0
83.04984	6.9
85.02912	100.0
86.09727	4.2
87.04466	3.3
91.05495	29.9
97.02896	9.3
97.06563	2.3
103.03966	4.0
105.07034	4.6
107.04901	2.3
109.02898	3.6
109.06481	2.6
111.04463	5.1
117.07054	1.9
121.02875	16.5
123.04483	2.1
127.03943	6.7
129.05473	29.2
133.06468	2.7
147.06514	19.5
151.11298	2.4
163.03978	2.3
167.07060	8.5
170.94331	1.9
176.21667	1.9
216.69022	2.1
244.11804	2.1
373.13046	3.8
417.11465	5.5
417.16391	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	418.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.4
55.01870	2.9
55.05525	1.1
57.03432	1.9
57.07043	0.9
60.55676	0.6
61.02937	3.1
65.71109	0.6
67.05510	2.3
68.99799	0.8
69.03432	12.1
69.07071	1.7
69.95967	1.6
69.96362	1.5
71.04997	2.2
73.02926	3.4
79.05497	5.7
80.99605	0.6
81.03423	10.3
81.07060	100.0
85.02909	27.9
85.03445	0.9
87.00839	14.6
91.05481	4.3
93.07051	28.2
95.04993	1.8
95.08608	10.4
97.02895	23.1
97.03519	0.9
99.04458	5.7
105.01868	21.6
105.07046	1.6
107.08601	21.2
109.02884	10.4
109.10216	1.2
115.03946	2.0
117.01913	1.0
119.08604	0.9
127.03924	25.0
129.01872	1.3
133.10188	0.9
135.11696	30.7
137.13260	35.7
145.04965	16.0
153.01840	0.9
159.02893	5.5
161.04526	1.7
167.06960	0.7
189.04033	0.8
213.03996	1.0
231.05009	8.1
249.06044	4.5
257.08276	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.3
57.07056	1.0
65.33690	0.4
67.05521	3.2
69.03429	1.1
69.07068	1.3
71.08633	0.6
71.52362	0.6
75.72753	0.4
79.05495	3.1
81.07063	0.9
83.04964	0.6
83.08626	0.7
85.10159	0.5
91.05470	0.6
92.03699	0.5
93.07038	1.2
94.07816	0.6
95.04969	0.5
95.08614	7.6
103.64744	0.5
105.07059	2.4
107.04960	11.2
108.05772	0.7
109.06488	1.0
117.07058	0.6
119.08573	0.7
119.43591	0.5
121.06503	2.1
121.27137	0.5
122.07296	19.5
123.08074	12.2
135.08067	5.6
137.05997	2.4
138.06760	1.7
145.10098	1.0
149.06027	1.0
149.09622	1.0
150.06767	46.7
151.07549	100.0
152.08347	5.7
158.07208	0.4
163.07561	2.5
163.11203	2.2
164.08336	2.3
173.09630	2.2
174.13977	0.6
176.08292	1.3
177.09148	2.0
191.10686	25.4
192.11113	0.6
195.66766	0.5
205.12251	0.9
217.52367	0.5
239.22287	0.5
328.02859	0.5
373.30984	0.7
416.19559	2.0
416.36499	89.5
417.36838	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	417.1184
Annotation	Daidzin
Peak:m/z	Relative Intensity
50.75562	0.2
67.01848	0.6
67.05515	0.4
68.99803	0.5
69.03406	0.3
70.06612	0.2
71.51418	0.4
78.04654	0.2
79.05502	0.3
81.03419	0.3
81.07046	0.4
85.02893	0.5
91.05486	0.4
95.08630	0.3
101.32791	0.2
103.05482	0.8
105.03378	0.5
105.07032	0.5
107.08587	0.4
109.10136	0.3
117.07005	0.4
121.10142	0.2
123.04465	0.3
124.05157	0.2
129.03368	0.4
130.06519	0.4
131.04860	0.2
131.08577	0.3
133.10104	0.6
134.10434	0.3
145.06482	0.3
147.04395	0.6
153.01843	4.0
159.14267	0.2
167.07042	5.4
171.02979	0.2
173.06004	0.8
181.04933	1.8
187.07527	0.4
187.83043	0.2
191.07028	0.4
209.05943	0.6
233.08131	0.3
235.09721	0.3
254.05711	0.2
255.06528	100.0
256.06937	1.7
289.61200	0.2
387.14346	0.6
417.15927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.7
55.01859	4.0
55.05503	7.9
57.03441	3.0
57.07082	3.4
59.05000	14.2
67.05518	20.6
69.03445	15.6
69.07036	3.9
69.64734	16.7
70.06586	3.0
72.08152	23.0
75.04458	2.7
79.05502	12.6
79.31851	2.5
81.03434	18.0
81.06593	4.0
81.07060	69.4
83.04987	4.4
84.08123	7.5
85.02912	26.5
86.09708	34.0
87.00829	8.6
91.05486	11.9
93.07050	18.8
95.04964	16.7
95.08602	11.5
97.02895	13.4
97.06517	2.7
98.21502	3.2
99.04482	6.3
104.04598	2.7
105.01878	8.5
105.07035	40.1
107.04961	4.5
107.08600	44.4
109.02898	23.0
109.06508	14.4
109.10174	38.1
116.07079	3.3
116.39606	2.5
121.02905	3.2
121.10167	4.1
123.04508	5.1
123.08123	4.9
123.11719	100.0
127.03931	20.5
131.08585	2.8
133.10139	62.1
143.11765	4.1
145.04944	7.4
147.04395	2.8
151.11194	65.3
153.01880	4.9
156.98332	2.6
159.02954	3.4
163.11220	4.7
167.07013	4.5
169.12206	2.8
171.11308	6.8
173.54922	2.4
195.02821	4.6
210.11862	2.3
213.04008	7.2
231.05019	2.8
237.11328	6.4
237.14874	2.8
247.12880	7.6
255.06653	3.0
408.91833	2.7
414.30051	2.7
417.12540	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	2.4
55.05514	2.7
55.19936	1.8
56.72041	2.0
57.03442	14.3
61.02923	2.8
69.03425	6.6
70.06594	8.6
71.04999	51.4
71.50169	2.5
72.08134	2.3
73.02933	3.6
75.04476	6.6
79.05509	3.3
81.03422	3.8
81.07064	3.0
81.24043	2.0
83.04984	6.9
85.02912	100.0
86.09727	4.2
87.04466	3.3
91.05495	29.9
97.02896	9.3
97.06563	2.3
103.03966	4.0
105.07034	4.6
107.04901	2.3
109.02898	3.6
109.06481	2.6
111.04463	5.1
117.07054	1.9
121.02875	16.5
123.04483	2.1
127.03943	6.7
129.05473	29.2
133.06468	2.7
147.06514	19.5
151.11298	2.4
163.03978	2.3
167.07060	8.5
170.94331	1.9
176.21667	1.9
216.69022	2.1
244.11804	2.1
373.13046	3.8
417.11465	5.5
417.16391	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	416.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.05502	0.4
61.02906	0.2
64.56723	0.1
64.67700	0.1
64.99677	0.1
65.03935	0.2
67.05517	0.2
68.99766	0.1
69.03441	0.8
69.15065	0.7
69.15497	0.8
69.89124	0.2
70.06610	0.2
72.64587	0.2
73.02927	0.2
79.05510	1.0
79.49500	0.1
81.03414	0.9
81.07068	0.2
85.02912	2.2
86.73651	0.2
87.00804	1.0
91.05490	4.3
93.07055	1.2
95.04961	0.3
97.02896	1.1
99.04462	0.3
103.05498	0.3
105.01872	0.6
105.07036	23.0
106.07378	0.4
108.04483	0.4
109.02867	1.2
115.03893	0.2
115.05474	0.4
117.01881	0.2
117.07009	1.6
118.07813	1.7
125.02235	0.2
126.05508	0.3
127.03921	1.1
129.01744	0.2
129.07024	0.3
131.08575	2.1
131.70595	0.2
133.10138	100.0
134.10458	1.5
143.03410	0.5
145.05000	0.7
145.06534	0.3
147.11697	1.0
150.12735	0.3
155.21997	0.2
159.02936	0.6
167.07057	0.5
173.06038	0.2
175.11157	0.6
189.03960	0.3
199.11139	0.2
213.03903	0.2
217.12317	0.3
223.11188	0.2
229.03363	0.2
230.06624	0.3
231.05026	0.4
241.12213	0.5
248.07718	0.3
259.13406	0.2
279.63785	0.1
287.50989	0.2
373.18311	0.2
417.15457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1708
Annotation	narcotinehemiacetal
Peak:m/z	Relative Intensity
53.03952	0.8
55.01871	1.4
55.05503	1.0
64.32463	0.8
64.81091	0.7
65.03931	0.9
67.05511	1.4
69.03419	1.2
70.03596	2.8
70.06574	1.8
71.01350	1.3
79.05485	2.1
81.03442	1.0
81.07047	1.9
82.68656	0.7
85.02909	1.7
88.21434	0.7
91.05489	9.8
93.07031	1.1
95.05001	1.2
95.08620	0.9
96.82488	0.7
97.02923	0.8
103.05447	1.2
105.07028	4.2
107.04958	7.3
110.06035	2.1
115.05480	1.3
117.07015	1.5
119.04936	11.4
119.08619	4.3
128.06180	0.7
129.07005	2.8
130.51947	0.9
131.04939	1.1
131.08594	4.4
132.05673	1.4
132.91637	0.8
133.06503	7.0
133.10133	4.9
134.05986	1.0
136.07587	17.8
137.05988	31.8
141.07011	1.7
144.05649	2.5
145.06461	2.5
145.10138	1.0
147.04419	6.8
147.08060	33.8
151.03874	2.2
151.07596	1.6
157.06512	6.7
159.04402	1.8
159.08083	9.4
161.05920	2.0
162.05531	7.9
167.07050	8.4
169.07649	1.1
173.06033	1.2
175.07556	22.1
177.09116	100.0
178.09488	1.9
179.07042	24.6
181.04968	4.7
185.05940	1.9
194.08115	1.9
196.09665	3.9
203.07033	27.1
221.08115	2.1
222.07654	4.7
223.62140	0.8
228.98640	0.8
233.08046	1.3
277.66476	0.7
338.14017	4.0
387.14542	1.5
398.16052	1.4
416.25296	1.4
417.15323	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	416.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.3
55.01878	6.8
57.03438	6.6
61.02927	5.4
62.71998	1.0
68.99791	2.0
69.03435	30.7
69.07046	1.3
70.06583	2.3
71.04988	4.4
71.11786	2.0
73.02923	5.7
75.32856	1.0
79.05498	2.6
81.03421	22.2
85.02911	92.4
87.00834	35.9
89.23990	0.9
91.03963	1.7
91.05482	6.4
93.07058	3.2
97.02898	24.5
99.04460	14.1
103.05490	1.0
105.01876	47.7
105.07037	84.8
106.07336	1.5
107.08573	2.0
108.04478	3.5
109.02889	28.6
115.03881	1.2
115.05441	1.3
117.01862	2.8
117.07031	1.8
118.07880	1.1
119.08596	1.8
121.87898	1.1
126.05527	1.9
127.03928	57.0
129.01852	4.9
131.08595	3.5
133.10141	100.0
134.10497	1.9
135.11720	2.1
145.04971	29.0
145.06198	1.4
145.10139	1.5
147.02896	1.9
147.11664	1.1
153.01855	1.3
153.79808	1.0
157.10129	2.0
159.02910	14.6
167.07039	2.4
175.11163	2.4
181.04880	2.4
189.03944	3.4
213.04021	3.2
223.11191	1.3
231.05037	17.9
241.12265	4.5
246.04681	1.1
248.07616	1.7
249.06137	4.2
255.06471	8.4
259.13275	1.5
301.02350	1.2
311.52704	1.1
417.15521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.05515	10.0
56.05035	0.7
57.03452	0.5
57.05817	1.1
59.04996	0.3
62.87878	0.3
69.03420	1.6
70.06589	1.3
71.05003	0.4
71.50092	0.3
72.08157	100.0
73.08492	0.6
79.05508	0.2
81.03420	2.5
81.07052	0.5
84.04496	0.3
84.08149	0.6
85.02915	1.5
86.09717	1.4
95.04980	0.3
97.02892	2.2
97.06548	0.3
99.04464	0.7
105.07072	0.4
106.69185	0.2
107.08624	0.3
109.02878	3.0
109.06481	0.2
111.04443	0.3
116.07076	0.3
118.08661	3.6
118.60866	0.3
123.11758	0.5
124.07592	0.2
127.03917	3.1
133.10141	0.4
137.02357	0.4
143.11888	0.3
145.05003	0.3
151.11188	0.3
153.01859	0.3
157.13445	0.3
163.11285	0.3
166.41907	0.2
171.11276	0.3
173.04410	0.3
210.99724	0.2
216.12383	0.4
226.10867	0.8
244.11845	5.3
254.04729	0.3
254.14023	0.3
262.12790	1.6
341.47470	0.2
348.25281	0.2
416.15317	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	415.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41070	0.3
56.05030	0.3
67.05475	0.5
68.28725	0.3
69.03452	0.4
70.06584	0.6
70.71599	0.6
70.71948	0.4
74.00658	0.6
76.04009	0.9
77.22083	0.3
79.05498	0.5
81.07056	0.5
83.04969	0.9
84.04513	5.6
85.02925	0.4
85.04025	0.9
86.09736	0.3
88.42210	0.3
92.01690	0.5
93.07028	0.5
94.06569	3.4
95.08591	0.4
97.06523	0.7
99.02685	0.9
99.05588	0.5
105.07052	0.6
106.06519	0.6
107.04957	0.7
107.07343	10.4
107.08507	0.4
108.08132	3.7
110.09670	1.1
110.34919	0.3
112.02197	2.3
119.08540	0.3
121.10159	0.4
125.02957	1.2
130.05029	2.3
131.04546	0.7
137.04271	0.6
138.03738	0.8
140.05296	100.0
141.05609	1.0
142.06894	1.2
143.16551	0.3
145.06133	0.5
153.01842	1.1
166.03249	0.3
166.06865	7.5
177.03299	3.2
183.09491	1.7
185.03841	1.1
193.07956	1.3
194.06358	9.6
195.06480	0.4
199.15070	0.3
211.09053	4.0
217.15825	0.6
231.04387	3.6
249.10588	1.3
286.12234	3.8
288.06506	0.7
315.08627	0.4
322.12006	0.5
340.13412	0.4
397.09155	0.4
415.10211	0.9
415.15878	1.0
418.90942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	1.9
57.03410	1.4
61.02898	1.2
69.03440	3.9
70.06564	2.2
70.18885	2.5
71.04960	1.0
72.08140	1.3
73.02886	1.1
81.03404	1.2
83.73247	0.7
84.04475	0.7
84.08115	1.0
85.02913	6.1
87.04429	1.4
97.02881	2.4
98.97591	3.2
105.07047	0.7
109.02875	1.1
110.06032	0.7
116.98627	1.1
120.08115	1.6
127.03857	1.2
136.02142	1.2
142.23013	0.7
147.04372	1.0
153.01830	2.6
158.99757	0.7
164.01685	3.7
165.02454	42.2
166.03247	13.5
177.00664	0.9
178.03148	1.3
179.03998	1.5
182.02725	4.9
192.04805	1.4
195.05811	0.6
208.04288	50.2
219.01732	1.6
237.02919	1.6
245.04903	0.9
254.04842	100.0
254.13896	2.9
255.05168	2.3
261.80447	0.8
416.10123	54.2
417.10080	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1004
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
53.35265	10.2
58.66629	9.5
69.62701	49.8
75.90147	7.5
77.18293	8.2
77.73078	8.5
101.00871	9.1
157.57921	8.4
176.74855	8.5
179.59528	8.7
245.04997	16.1
354.98566	9.5
355.04956	31.2
373.06232	15.6
381.69696	10.3
415.10190	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	25.7
57.03425	6.1
61.02944	4.5
69.03444	19.9
71.50666	3.6
71.51048	5.6
74.89874	3.7
76.94920	3.5
81.03424	8.9
82.99873	5.8
84.96053	6.6
85.02906	28.6
86.09699	7.9
89.61599	3.3
89.64246	3.3
97.02898	15.6
98.97589	100.0
101.00899	19.7
110.97591	22.6
112.99142	4.3
113.00877	5.0
115.83942	3.3
116.98639	28.0
119.01933	24.8
127.02435	8.3
127.03970	6.3
128.98611	16.1
131.00214	3.6
131.01932	15.1
134.99695	6.0
136.06197	37.8
137.06551	13.5
139.02429	5.0
143.01910	15.6
145.03464	15.4
146.99649	7.3
152.05701	8.5
153.01840	57.5
155.01904	15.5
157.03450	12.0
157.57166	4.1
158.99675	17.0
161.01242	6.2
161.02994	16.2
167.01918	8.4
170.99600	4.4
173.03017	10.9
174.99152	3.6
177.00734	9.9
185.02908	24.7
193.00038	10.2
197.01146	4.4
197.02902	11.1
201.00777	5.2
203.04025	12.3
207.01422	4.3
207.03293	4.5
209.02921	4.8
210.99112	5.8
211.00911	53.9
219.01770	30.8
221.05093	8.6
223.00996	4.4
223.04619	5.2
227.04070	8.2
227.06683	5.4
229.00175	9.3
229.02057	14.3
235.00841	19.1
237.02803	25.3
244.99808	5.5
245.05051	50.6
247.02989	13.8
253.01884	33.7
253.03940	4.4
263.06186	7.3
267.03543	4.8
271.03143	20.8
274.97495	7.1
277.03906	8.6
285.04578	6.2
295.02908	8.2
297.04517	7.8
307.03088	12.6
311.06012	6.4
313.03973	23.5
318.05219	3.5
325.04172	5.5
331.99091	3.8
337.04001	6.2
355.05136	94.3
373.06241	46.8
396.07971	4.8
406.88049	4.2
408.15656	4.2
415.09839	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01840	1.3
56.96569	5.5
58.99862	2.5
61.02911	1.7
63.78808	1.1
69.03440	7.1
70.99863	1.2
71.05000	1.5
71.40919	1.9
77.00948	1.2
79.01850	1.1
81.03416	4.4
82.99851	2.9
85.02907	11.8
86.99343	1.9
97.01385	1.4
97.02895	12.2
98.97588	9.5
101.00884	29.8
105.00445	1.3
109.02870	6.2
109.63320	1.2
110.97530	1.3
113.00881	9.0
115.02399	2.8
116.98643	3.0
119.01927	22.4
121.61369	1.2
122.83134	1.1
127.02427	9.8
127.03912	2.6
129.00304	1.1
131.01918	12.7
137.00876	1.7
137.02939	3.0
139.02403	4.9
143.01897	14.3
143.03511	1.7
145.03467	19.8
153.01839	20.0
153.03030	2.0
155.01926	17.0
156.02696	1.6
157.03459	11.6
159.01392	2.6
161.02956	14.3
163.04512	1.4
167.01886	9.1
169.03455	2.5
173.02975	18.3
174.98778	1.5
175.04504	1.7
179.01910	3.9
181.03482	3.4
185.01373	2.1
185.02966	24.9
187.04559	4.7
189.06691	1.3
191.03961	1.4
192.99847	6.7
197.02977	14.4
199.04547	1.5
201.00751	1.2
203.04031	12.6
203.71812	1.2
205.03503	1.2
209.02962	5.2
210.98874	2.2
211.00896	36.1
211.02815	2.5
211.04456	2.2
212.01074	1.8
215.03987	3.4
219.01698	2.3
221.03087	2.3
221.05035	9.4
223.04546	1.8
227.04048	5.7
228.99977	1.4
229.01978	15.1
235.00946	7.2
237.02707	3.4
239.00259	1.5
244.99721	5.3
245.05092	79.1
246.05165	2.3
247.00841	2.2
247.03040	13.4
249.02469	2.1
251.03987	2.2
253.01967	9.4
253.05701	1.9
261.02539	3.2
263.00870	2.8
263.03955	2.5
263.06259	18.1
265.02042	3.1
267.03506	2.7
271.00513	1.9
271.03064	19.1
274.97263	1.7
277.01785	2.9
279.03561	3.7
281.01709	1.7
283.03119	1.5
285.04578	4.0
295.03033	9.2
297.04599	5.5
307.03024	13.8
311.06079	7.2
313.04086	5.5
315.05618	3.6
325.03925	5.7
337.03955	9.7
355.05133	100.0
356.05630	1.7
373.06192	40.4
374.06601	1.6
396.07779	2.2
415.06873	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.4
58.83416	0.2
68.99789	0.3
70.06586	0.9
84.08140	0.4
85.02929	0.5
86.09687	0.2
91.05490	0.6
97.02912	0.4
105.07007	0.3
107.04954	0.3
107.08616	0.3
111.00800	0.3
111.40868	0.2
119.08560	0.2
120.08099	0.2
121.02873	0.8
121.06534	0.4
125.02378	0.3
127.03940	0.4
136.07593	0.2
143.23083	0.2
153.01826	5.8
163.03888	1.4
177.05496	4.2
192.04184	5.3
205.04979	21.8
206.05437	0.5
233.13068	0.3
233.15405	0.5
251.05528	100.0
252.05850	1.8
386.19064	0.3
413.17929	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1418
Annotation	t(6)a
Peak:m/z	Relative Intensity
53.15696	0.3
55.46902	0.3
56.05039	0.7
70.06598	0.4
70.89950	0.7
70.90316	0.4
74.06096	1.8
84.04536	0.3
85.02914	0.5
85.17615	0.3
97.02911	0.5
102.05534	0.9
119.03547	3.9
120.06582	8.8
136.06197	100.0
137.04614	1.0
162.04126	61.2
172.15656	0.4
281.09946	46.8
282.10239	0.5
365.42218	0.4
370.29349	0.5
390.14319	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2147
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
51.85902	0.3
57.93578	0.4
69.03414	0.4
70.06605	1.2
71.51386	0.5
84.04546	0.3
84.08145	0.4
85.02893	1.5
95.08599	0.4
97.02873	0.5
99.04478	0.6
101.93877	0.4
105.51200	0.4
109.02883	0.4
115.03991	0.4
121.02878	1.0
127.03978	0.5
153.01866	0.8
161.32082	0.4
174.61481	0.4
196.26097	0.4
203.05341	2.1
205.04933	2.0
213.42380	0.4
251.05563	6.7
344.57980	0.5
371.03595	0.4
413.21500	100.0
414.21777	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17737	1.8
54.93470	2.0
55.01874	15.3
57.03442	21.6
57.07064	4.4
59.04994	4.0
61.02927	11.7
68.52016	1.8
69.03087	2.5
69.03433	32.5
70.06595	7.2
71.01334	4.2
71.04982	3.3
72.08154	3.1
73.02921	37.5
81.03412	6.5
83.04974	2.9
84.08106	3.0
84.68114	1.7
85.02911	100.0
85.06537	2.2
86.09716	3.7
87.04470	6.5
91.03947	4.9
95.04971	1.9
97.02898	49.9
98.03255	2.4
98.06045	2.3
99.04510	2.7
101.06139	1.9
103.03951	3.0
109.02874	9.5
111.67525	2.0
115.03941	23.6
119.08629	2.5
120.08112	2.0
127.03925	28.1
132.06618	3.5
133.04974	35.4
144.06560	2.5
145.04979	49.3
150.07620	5.4
162.07634	2.7
163.06032	12.9
166.49469	2.0
169.07561	2.6
180.08633	3.9
214.02542	1.9
222.87483	2.2
223.05972	4.1
241.07101	4.5
247.11737	3.1
252.05905	3.9
252.16380	2.1
265.12656	3.2
414.17752	2.7
414.21869	67.2
415.22342	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	414.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	4.3
55.05499	2.5
57.03431	10.8
60.55548	2.4
61.02933	8.4
69.03434	25.7
70.06609	4.6
71.01357	3.6
71.50822	2.5
71.51192	4.7
73.02924	27.7
79.05515	3.6
81.03448	6.5
83.04987	5.2
85.02913	100.0
86.09728	3.1
87.04468	3.3
91.03960	4.2
91.05505	3.7
95.05042	3.1
97.02905	39.1
105.07037	3.7
107.08614	3.2
109.02882	12.1
111.99751	2.9
112.15173	3.0
115.03946	12.1
120.08168	6.3
127.03913	26.2
129.78923	2.5
133.04985	15.2
133.10126	3.7
139.65942	2.4
145.04973	57.2
153.01891	6.8
163.04819	3.9
163.06004	22.9
168.06346	2.5
221.12827	2.9
241.07024	2.9
310.43652	3.1
371.07736	4.5
414.20782	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	415.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54032	1.1
56.96568	57.1
64.06871	1.1
69.03416	3.3
71.95268	1.6
81.03403	1.6
84.96032	22.0
85.02890	5.3
97.02876	2.4
97.18138	1.1
98.97591	97.3
102.97082	1.7
103.75410	1.4
110.97578	30.0
112.99146	7.0
116.97838	1.9
116.98631	24.1
117.22453	1.2
124.99128	6.1
126.97066	2.2
128.98622	17.4
131.00148	3.8
134.35490	1.1
134.97523	7.5
134.99644	4.7
136.06189	1.2
140.98584	4.7
143.00160	18.1
144.98097	2.5
146.99637	3.0
148.99149	1.7
149.01164	1.3
152.98602	18.7
153.01848	5.3
155.02031	1.2
158.99638	12.7
161.01241	16.6
162.97083	2.3
162.99211	2.3
167.00192	10.2
170.99707	12.3
177.00629	6.4
179.02301	2.5
180.98035	5.6
182.99611	1.7
185.01285	9.7
189.00728	5.8
192.98152	3.7
194.99667	6.7
198.99126	3.5
201.00711	9.0
203.02258	5.2
206.61414	1.2
206.99799	1.8
207.01741	2.2
209.01190	2.9
210.99150	28.8
211.00891	1.9
213.00706	8.8
219.01778	42.9
221.01207	1.8
225.00603	2.1
227.02219	2.5
229.00197	59.3
234.99126	2.2
235.02922	2.1
237.00525	2.9
237.02821	32.6
247.01094	7.2
251.02219	2.4
253.00137	10.4
253.04007	1.9
263.02292	2.3
265.00256	1.5
267.01819	1.7
271.01245	14.6
275.02258	3.7
277.00089	2.6
279.01755	2.8
279.07559	5.4
283.01105	1.6
285.02930	1.3
289.00140	2.8
293.03384	2.3
295.01123	7.1
297.02722	4.8
297.66415	1.2
307.01334	3.4
313.02383	3.8
319.01300	1.8
337.02322	10.1
355.03369	51.9
356.03943	1.6
373.04422	100.0
374.04822	2.2
391.05341	4.6
396.05881	2.5
415.04602	11.1
415.09460	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01884	8.8
55.05500	4.9
57.03439	17.1
58.86673	1.5
60.91979	1.5
61.02931	11.7
69.03435	26.4
70.49797	2.7
70.50136	4.0
71.01358	3.9
71.04983	5.9
71.37573	1.5
73.02924	22.7
79.05467	1.7
81.03416	6.2
83.08618	7.4
84.35889	1.5
85.02911	100.0
86.09706	3.2
87.04460	5.1
88.35741	1.9
91.03950	6.2
91.94698	1.5
95.04980	1.9
95.08614	2.4
97.02903	38.0
97.06512	2.0
99.04478	3.5
103.03954	3.8
109.02885	7.7
113.99049	1.4
115.03939	13.4
117.07751	1.6
124.99987	2.1
127.03930	24.8
132.06580	3.2
133.04970	21.5
139.07568	3.8
141.09160	2.5
145.04971	44.3
150.07628	2.2
151.07544	2.3
155.10669	1.6
163.06036	19.8
184.07326	8.1
194.08160	2.3
197.11728	1.6
209.11757	1.8
227.12784	2.7
241.07124	1.8
263.14832	2.3
338.06683	1.6
412.20120	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	6.0
57.03429	19.7
59.05006	5.2
69.03429	81.7
69.05488	3.7
70.03396	7.6
70.03790	13.4
71.04993	4.8
72.64130	3.4
73.02936	5.7
81.03439	5.3
81.07042	3.6
83.08601	5.9
85.02908	87.2
87.04470	64.3
90.25989	3.4
93.07063	3.5
97.02894	73.5
98.20853	5.0
109.02863	4.6
111.08135	3.3
115.03937	99.1
127.03930	19.5
133.04971	100.0
139.07599	4.5
145.04971	29.6
150.07639	12.2
154.11275	3.4
163.04857	3.6
163.05966	18.1
167.10617	5.2
184.07314	5.5
197.11809	5.3
229.95807	3.9
241.06668	3.8
259.08136	4.2
263.14795	4.5
282.92014	3.4
305.82620	3.8
346.19614	3.4
412.19980	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	412.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.3
55.05508	4.4
57.03433	9.7
69.03442	3.8
69.07085	10.2
70.06595	4.2
71.05003	62.6
72.08160	3.7
73.02933	2.1
75.04489	4.4
81.03432	3.6
81.07082	2.3
83.04991	6.5
83.61346	1.7
84.04510	2.5
85.02914	100.0
85.06544	3.0
89.59068	1.8
91.05479	2.0
92.65326	1.6
97.02894	5.7
98.20728	3.9
109.02888	2.7
111.04459	6.2
111.08110	3.5
127.03944	4.9
129.05492	39.2
145.04985	6.4
146.08096	2.0
147.06534	22.0
152.02625	2.2
163.06065	1.9
164.09193	5.5
166.08549	1.9
177.72845	1.9
255.08800	2.1
303.39279	2.0
309.11768	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3831
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
53.03928	4.5
55.05513	16.3
57.07076	11.9
57.70464	2.2
67.05505	22.5
67.45335	2.1
69.07070	53.1
69.23299	2.2
71.08634	4.5
78.62663	2.6
79.05495	15.2
81.07063	70.0
83.08625	19.6
91.05466	6.9
93.07054	30.7
95.07999	3.7
95.08614	67.6
97.10164	9.3
105.07058	23.7
107.08599	43.4
109.10162	47.6
111.11727	5.4
117.07055	2.4
119.08595	23.1
121.10144	33.7
123.11712	26.6
130.81288	2.1
131.08572	11.2
133.10138	25.7
135.11694	24.4
137.13260	16.9
143.08627	5.0
145.10161	16.3
147.11702	20.9
149.13272	24.2
151.14815	3.8
157.10080	5.1
159.11691	26.4
161.13295	14.5
163.14821	12.9
164.48987	2.3
171.11696	5.5
173.13304	18.7
175.14850	11.4
177.16386	9.6
185.13179	2.8
187.14841	13.4
189.16380	15.5
191.17963	6.6
199.14838	3.9
201.16405	5.6
203.17903	12.7
205.19615	3.0
213.16467	3.9
215.17958	7.2
217.19548	8.7
227.17966	4.5
229.19553	10.8
231.21175	4.1
243.21185	4.2
245.22649	3.2
257.22736	6.5
259.24258	5.7
267.28662	2.6
271.24329	4.8
285.25763	6.3
299.27368	5.2
325.28928	4.5
327.30569	8.9
339.30630	4.0
353.31888	3.4
367.33521	3.3
409.38348	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	411.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13954	15.3
67.05486	25.1
69.03400	26.6
69.28770	46.5
69.29179	100.0
70.06602	43.4
71.04993	55.9
72.08169	28.2
81.03430	24.2
84.08144	19.5
86.09728	24.0
88.04023	17.5
91.05469	23.7
93.07092	23.1
98.20712	38.6
98.97569	34.9
105.07024	29.0
107.04958	23.7
110.06042	18.4
112.07614	22.2
113.09605	28.2
141.84328	18.8
147.04294	25.6
147.09134	82.2
153.01907	35.4
153.81651	17.4
163.03964	19.3
191.08131	71.7
219.01805	25.2
249.07460	31.6
249.11159	23.4
259.05954	29.8
281.14941	49.0
325.13977	98.3
347.12787	20.9
393.13129	25.2
394.12659	19.2
411.11176	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.05510	22.1
56.65429	3.4
57.07065	5.0
59.85652	3.6
61.19695	4.2
61.47641	3.3
67.05505	38.5
69.07074	29.5
70.08409	15.8
71.04978	16.3
71.08656	4.8
79.05489	23.6
81.07063	99.8
83.08615	12.4
89.06039	5.6
91.05484	22.4
92.84482	3.7
93.07045	91.8
94.07303	3.5
95.04992	5.0
95.08612	100.0
97.10159	13.8
105.07042	62.8
107.08601	68.4
109.06528	6.7
109.10158	54.3
111.08055	15.3
113.09602	4.7
117.06995	6.6
119.07804	6.5
119.08595	82.7
120.11604	3.5
121.10166	60.7
123.11707	31.4
129.06970	4.4
131.08560	18.9
133.10147	38.9
135.11714	33.1
137.09586	9.3
137.13301	4.3
143.08572	6.7
145.10132	32.5
147.11697	26.9
149.13263	64.0
151.11171	6.4
154.05113	3.5
157.10121	14.6
159.11711	38.1
161.13246	33.4
163.14790	19.5
171.11674	9.9
173.13263	24.6
175.14839	24.0
177.16420	8.3
185.13268	8.7
187.14818	18.7
189.16368	22.1
191.17949	10.3
199.14874	10.9
199.86009	4.4
201.16412	11.3
203.17963	23.0
213.16344	10.3
215.17952	16.1
217.19565	27.7
227.17952	7.6
229.19527	12.5
231.21010	8.5
253.19592	8.8
255.21005	8.6
257.22665	15.9
259.24380	4.9
269.22562	4.3
281.22681	4.0
283.24271	6.3
295.24426	4.8
327.26791	3.6
351.30508	12.2
391.33600	21.3
409.29706	6.1
409.34662	87.9
415.68057	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.5
55.01878	3.8
55.05516	22.9
55.46635	2.3
56.68478	2.6
57.07085	4.3
59.05005	4.8
62.31959	2.3
65.03937	2.9
67.05510	46.0
67.05840	4.3
69.03452	5.1
69.07072	10.5
71.04990	2.8
79.05499	29.0
81.03408	3.3
81.07060	41.1
83.05009	3.2
85.06551	3.9
91.05483	43.3
91.06018	3.2
93.07052	56.1
95.04973	49.6
95.08611	33.4
97.06544	9.4
98.20731	7.3
105.04533	5.7
105.07040	100.0
107.08615	28.1
109.06542	10.3
109.10175	22.7
117.07008	12.4
119.08589	72.9
121.06512	18.9
121.10152	15.9
123.08075	21.9
128.06215	5.9
129.07021	7.0
131.08574	21.1
133.06557	7.9
133.10136	22.6
135.08096	16.5
135.11731	10.6
137.06062	2.8
137.09676	9.4
141.07050	4.7
142.07793	12.0
143.08583	15.4
144.09380	3.6
145.10138	35.0
147.08055	16.1
147.11691	42.6
149.09648	12.0
151.07571	26.4
153.07071	4.6
154.07869	2.7
155.08591	9.6
156.09306	5.2
157.10156	19.3
158.10832	2.5
159.11653	16.1
161.09663	10.9
161.13284	5.1
163.11235	6.1
164.38210	2.6
165.09128	38.3
167.08629	2.8
168.09395	5.5
169.10104	15.8
171.11716	10.3
173.09653	6.2
173.11766	3.8
173.13295	8.2
174.10381	3.5
175.11183	26.8
177.09180	8.6
178.09807	2.9
181.10139	4.2
181.12254	4.2
182.10855	4.3
183.11737	10.2
185.13321	5.6
187.11223	3.5
187.14757	4.8
189.12813	8.0
195.11739	4.2
197.13304	4.6
199.11275	4.3
201.12817	11.4
203.14320	15.0
207.11908	4.4
207.13899	7.7
209.13321	5.7
209.15375	4.4
211.14822	8.3
215.14388	5.1
218.91843	2.8
219.13821	6.3
221.13432	3.0
221.15390	79.4
225.16405	3.2
225.36951	3.1
229.15889	3.4
231.13876	3.7
233.15317	3.8
234.16254	16.5
253.16048	3.2
287.20212	7.5
300.21072	3.7
329.21249	5.9
347.07877	2.7
391.26385	6.8
409.27338	54.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03947	7.6
55.05521	20.5
57.07072	4.4
59.05007	5.5
66.91712	2.7
67.05511	39.8
67.29816	2.6
69.03425	10.8
69.07074	10.5
69.15093	23.6
69.15495	6.6
79.05507	24.0
81.07060	41.6
83.04980	6.0
83.08593	3.5
85.06542	5.0
91.05487	43.8
93.07049	49.4
95.04978	46.9
95.08627	28.5
97.06523	17.1
98.21465	6.3
103.05444	4.5
105.07034	100.0
107.08600	32.7
109.06551	15.5
109.10152	29.4
110.28268	2.9
115.05425	3.3
117.07030	19.0
119.08591	61.4
121.06527	19.3
121.10149	18.9
123.08067	26.6
128.06183	4.4
129.06985	8.5
130.07782	7.8
131.08557	22.4
133.06467	6.6
133.10097	25.8
135.08052	14.8
135.11703	10.3
137.09644	10.8
141.07060	6.3
142.07822	12.7
143.08536	18.0
143.26932	3.0
145.10129	39.9
147.08029	14.9
147.11697	40.4
149.09642	12.8
151.07539	24.5
153.09134	5.1
155.08549	10.0
156.09329	6.8
157.10175	24.8
159.08047	8.2
159.11748	16.5
161.09621	9.9
163.11232	7.2
165.09122	35.8
167.08516	3.5
168.09367	6.1
169.10086	13.7
170.10825	4.0
171.11681	13.0
173.09689	6.4
173.11935	3.2
173.13278	8.6
174.10437	2.8
175.11212	20.0
177.09105	4.2
181.10126	6.9
181.12241	4.8
182.10942	3.3
183.11722	13.7
185.09634	4.9
185.13225	5.0
187.11102	5.5
189.12773	7.1
190.56557	3.5
195.11717	3.3
197.13251	3.4
199.11307	2.9
201.12781	10.2
203.14365	18.8
207.13747	4.9
209.13281	4.7
209.15195	3.5
211.14861	5.4
219.13829	5.2
221.15387	68.7
223.14931	3.0
227.14345	3.4
229.12103	3.6
229.15904	6.7
231.13905	4.1
233.15393	3.9
234.16159	13.2
267.17334	3.5
269.18732	3.1
286.19373	4.5
287.20038	8.8
290.08029	2.9
300.20786	5.1
329.21164	6.2
334.45398	3.6
345.10507	3.7
391.26245	11.7
409.27313	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.05511	20.8
56.78445	2.0
57.07072	5.4
59.05002	1.9
65.03931	2.8
67.05508	19.7
69.03437	6.4
69.07059	5.5
71.04999	2.3
77.03938	2.6
79.05499	20.7
81.07069	26.6
83.04993	3.8
85.06557	2.8
91.05491	39.6
93.07051	33.5
95.04970	41.0
95.08608	17.2
97.06539	6.8
103.05486	4.8
105.07042	100.0
107.08611	21.4
109.06512	12.6
109.10137	7.4
115.05451	3.7
117.07021	12.3
119.08591	58.7
121.06501	16.4
121.10150	11.5
123.08089	14.7
128.06203	4.7
129.06979	7.5
130.07813	3.2
131.08588	18.3
132.09399	2.5
133.06502	5.6
133.09187	3.1
133.10127	18.4
135.08047	11.0
135.11702	3.5
137.09612	8.4
141.06985	3.6
142.07796	12.1
143.08566	11.0
145.10138	36.0
147.08032	13.6
147.11691	34.2
149.09630	8.6
151.07558	18.5
153.07033	2.5
153.09146	2.5
155.08556	5.5
156.09383	4.8
157.10146	21.0
159.08093	5.9
159.11705	14.7
161.09616	8.1
161.13237	5.0
163.07614	2.1
163.11217	4.1
165.07037	2.3
165.09132	27.9
167.08606	4.6
169.10133	8.3
169.92523	2.3
171.11728	7.4
173.09615	5.6
173.13211	4.9
175.11188	26.5
175.14799	2.9
177.09111	5.2
178.09943	2.7
181.10136	4.2
183.11722	9.6
185.13222	4.7
187.11197	4.1
187.14777	2.7
189.12784	4.6
195.11760	3.0
197.13235	3.5
201.12761	8.2
203.14337	11.1
207.11813	2.7
207.13808	7.7
211.14772	4.1
219.13826	5.7
221.13376	3.8
221.15378	52.3
223.15012	2.3
229.15860	3.7
229.30891	2.3
231.13708	2.1
233.15417	4.1
234.16168	16.6
286.19373	2.9
287.20193	4.8
299.20044	2.4
300.21024	2.6
329.20953	2.4
391.26202	4.2
409.27328	35.0
410.27902	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	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63733	0.4
63.10162	0.4
63.27431	0.4
70.14993	1.8
81.07040	0.4
85.41529	0.4
109.10185	0.7
109.12811	0.4
123.08011	0.5
128.74336	0.4
151.07507	0.7
154.39308	0.4
161.05766	0.4
162.06557	1.2
169.81241	0.4
173.05757	1.8
203.05269	4.3
229.12009	9.2
231.13782	0.6
247.09456	11.8
247.13043	2.8
314.40314	0.5
393.32837	0.5
409.18433	100.0
410.18848	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.9
55.01873	3.3
55.05512	24.4
55.49959	1.5
57.03438	2.1
57.07066	5.6
59.04996	4.1
65.03936	3.3
67.05508	49.8
69.03421	7.0
69.07078	8.7
71.01006	4.7
71.04990	3.0
77.51310	1.7
79.05091	2.0
79.05502	28.5
81.07059	37.0
82.91866	1.7
83.04973	6.4
83.08617	3.6
85.06544	4.3
91.05489	45.0
93.06487	3.3
93.07049	51.3
95.04975	49.3
95.08617	25.6
97.06538	9.1
97.10152	2.2
103.05470	4.2
105.07038	100.0
107.04941	1.8
107.08601	27.7
109.06516	10.5
109.10163	28.0
111.08089	3.7
115.05456	3.8
116.06239	1.6
117.07011	11.1
119.08586	68.9
119.46201	1.5
120.09294	1.9
121.06499	12.8
121.10168	16.4
123.08076	16.7
124.05897	1.5
128.06213	6.3
129.06985	10.2
130.07796	3.0
131.08578	20.6
133.06503	6.2
133.10153	17.7
135.08069	11.7
135.11694	17.8
137.05992	2.2
137.09622	9.6
141.06981	3.3
142.07813	10.5
143.08582	11.4
144.09349	4.9
145.06458	2.8
145.10129	31.6
146.10782	2.1
147.08052	17.8
147.11708	38.2
149.09633	12.3
151.07561	17.4
155.08574	6.3
155.10658	2.0
156.09383	3.6
157.10136	17.5
159.08020	5.9
159.11678	11.3
160.08759	2.1
161.09627	7.1
161.13347	3.6
163.11208	5.2
164.74004	1.6
165.07030	2.6
165.09129	33.4
167.08531	2.0
168.09309	5.0
169.10153	8.0
170.10992	4.0
171.11708	7.3
173.09645	4.5
173.11768	4.9
173.13271	7.7
175.11189	28.3
175.14890	2.4
177.09019	3.3
178.09775	2.2
181.10190	4.1
181.12181	4.0
183.11678	7.9
185.13182	2.7
187.11125	4.4
187.14828	2.8
189.12726	6.4
195.11613	2.6
197.13300	3.4
199.11180	2.8
199.14880	3.3
200.11595	1.6
201.12724	9.2
203.14305	14.6
207.13794	6.7
211.14853	4.1
213.12709	2.9
219.13844	4.2
221.13608	2.0
221.15379	57.1
227.17868	2.4
229.15872	6.0
231.13937	4.0
233.15353	2.5
234.16116	16.6
247.14676	2.2
269.18881	2.4
285.18625	2.0
286.19321	3.2
287.20001	7.3
295.20444	2.2
300.20801	4.4
329.20975	5.5
353.20883	1.7
391.26202	4.6
409.27194	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	409.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05273	0.3
68.05029	0.4
69.37425	2.5
69.37843	0.8
70.06586	1.1
71.04978	1.1
82.02943	2.8
91.28362	0.5
98.06058	0.4
98.20712	0.6
110.02397	0.9
111.03228	0.6
114.05536	24.8
121.15773	0.4
122.06034	0.4
123.06699	0.9
124.05076	1.8
126.05493	1.3
137.02319	2.6
138.01848	1.8
140.28564	0.4
142.05029	4.2
146.04468	0.5
149.04591	12.6
150.04250	0.9
150.05463	0.4
152.03407	1.0
155.03392	1.3
165.06631	0.6
166.07253	100.0
167.05666	1.0
167.07594	0.6
169.04970	12.5
170.04486	1.2
174.07626	3.3
180.02898	1.6
182.08177	0.8
184.06052	1.4
192.05232	0.5
197.04477	0.6
198.04742	0.5
198.07616	0.8
206.10490	0.7
212.05565	1.6
216.08818	3.1
220.08275	0.6
228.08893	0.7
240.08832	0.4
244.08182	11.9
244.10666	0.8
266.06781	1.1
298.09326	1.2
309.07367	0.6
313.54614	0.4
341.09924	0.5
359.11047	0.6
373.12656	0.7
377.12003	0.7
380.21518	0.4
381.15256	0.5
391.13644	1.6
409.09244	0.9
409.14658	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
55.05514	5.2
56.05024	3.1
56.05830	2.1
57.03430	2.2
58.99603	4.2
60.99172	5.1
67.05481	1.0
69.07043	1.3
70.06577	1.7
71.51384	1.4
72.08189	0.8
76.02225	4.4
76.03996	1.3
78.01810	6.1
79.02128	1.1
79.05498	1.4
80.05795	0.7
81.07059	6.0
82.07383	3.1
83.06123	1.0
83.08631	5.7
84.04504	11.9
84.08125	1.1
84.08940	2.8
85.04345	0.8
85.04826	4.3
86.99040	3.1
87.00719	1.1
88.98626	2.1
89.02276	1.7
90.01754	0.9
95.08598	2.0
96.08974	0.9
97.06562	1.1
98.09694	4.5
99.08092	1.0
99.10030	2.8
100.08415	1.1
105.07064	1.1
112.03949	1.1
112.69977	0.7
113.04293	1.3
115.03814	1.8
116.01683	10.9
117.02000	3.4
118.01257	5.7
119.01587	2.2
129.06609	2.2
130.05009	3.0
131.05318	1.0
144.01167	5.0
145.01448	1.4
145.06158	0.8
146.00734	2.5
147.01071	1.6
153.01749	1.0
156.08485	0.9
156.10173	3.4
157.10580	2.4
158.08058	4.1
158.09116	0.8
159.06383	1.7
159.08376	6.0
160.06795	1.7
160.08754	3.0
162.02203	13.1
163.02559	6.7
164.01720	5.1
165.02115	1.6
176.09096	1.3
177.09425	2.3
181.04414	1.6
182.04759	0.9
196.10039	0.8
198.07861	0.7
199.08694	1.4
200.05701	0.9
211.08632	4.7
212.09529	1.6
213.10193	2.7
215.11801	2.2
217.09734	1.7
219.06825	1.3
223.12320	0.8
225.10255	4.8
227.08151	1.2
229.09752	1.9
239.08124	5.7
239.11761	3.7
240.08981	2.3
241.09816	5.2
242.10599	1.1
243.07503	1.9
243.11292	6.0
247.06241	0.9
252.08865	1.0
253.09738	7.3
257.09198	2.8
257.12863	1.8
258.10123	1.0
259.10974	5.6
260.11453	6.0
261.10696	13.2
262.11047	29.7
263.11517	8.2
267.07758	1.5
267.11267	4.9
268.08405	5.4
269.09396	0.8
269.12802	1.0
271.10773	23.2
273.12271	1.6
275.10187	2.0
277.11938	3.9
279.13904	1.0
280.14035	2.3
281.09186	1.8
285.08832	2.0
285.12329	5.4
289.11868	2.2
295.10776	5.0
299.13983	1.0
300.11099	1.0
313.11697	6.2
316.12228	0.9
317.11389	2.2
318.12210	0.8
323.10287	7.3
327.13467	2.2
334.14975	1.5
335.12405	4.5
341.11349	15.9
345.14307	1.8
355.12772	3.6
359.12357	2.3
373.13962	12.0
374.14639	0.8
377.13431	0.8
391.15012	22.0
392.14886	0.9
409.16049	100.0
410.16290	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	408.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	9.7
59.71716	2.9
67.05502	14.1
69.03429	6.4
69.07056	7.7
70.06574	5.0
71.51765	4.9
78.68327	2.6
79.05485	7.9
81.03408	3.4
81.07053	43.5
83.08635	6.9
84.08111	3.3
85.02909	18.8
86.09720	3.3
87.04517	2.8
91.05466	16.0
93.07022	8.8
95.05016	3.1
95.08607	11.4
97.02866	5.1
97.06534	5.6
99.04453	4.6
99.32195	3.1
105.07043	29.5
107.08575	10.1
109.06506	4.0
119.08604	19.8
121.10149	22.8
123.11705	23.0
127.03918	3.2
127.07567	3.8
137.13202	3.1
145.04922	5.0
147.11700	64.3
165.12744	42.6
177.45496	3.0
183.13824	24.2
193.12254	8.1
211.13351	6.3
229.12094	6.7
229.14359	100.0
232.59985	2.8
408.27451	4.4
409.16278	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	408.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60172	14.4
51.60247	13.9
55.05521	19.2
69.03427	21.7
69.07065	29.4
69.91797	58.6
71.05023	17.0
81.07057	37.4
84.04482	19.9
85.02874	22.7
85.06498	15.4
89.07401	16.0
95.08600	25.3
97.06567	25.5
98.20822	25.2
107.08575	42.0
109.10166	42.0
111.35573	18.6
119.08563	52.3
125.09664	17.4
133.10133	50.5
135.11668	54.1
149.13289	22.0
152.26959	18.5
159.11655	17.0
168.14619	17.2
175.14850	85.4
193.15907	69.4
211.16980	100.0
247.09381	37.2
340.07361	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	408.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45758	1.4
53.03965	1.4
53.11664	1.4
60.44538	2.0
68.74828	1.6
69.03424	1.8
69.07067	5.6
71.05005	17.7
71.40201	3.2
77.53258	1.5
79.05476	2.0
81.03417	4.3
81.07072	4.1
83.08581	1.7
85.02887	5.5
85.06538	2.7
91.05503	2.5
93.07027	3.5
95.08602	7.2
97.06541	2.4
99.04465	51.7
107.08572	4.4
109.10168	3.2
113.09650	7.6
115.07549	2.2
119.08588	6.7
121.10165	2.5
123.11750	2.3
124.21888	1.6
125.09650	4.6
127.03936	2.2
133.10115	6.7
135.11711	16.0
141.12755	2.1
143.10666	3.9
145.04933	2.0
147.16597	1.8
151.14851	2.3
175.14832	6.0
193.15903	4.4
211.16948	100.0
247.09425	2.9
409.14789	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	409.0535
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92931	10.7
69.29150	100.0
85.02901	14.7
101.00900	38.6
113.00850	18.6
115.02419	23.2
119.01923	61.6
127.02419	25.6
131.01920	31.1
133.03485	13.2
143.01906	73.7
145.03487	43.5
155.01881	47.1
157.03488	16.1
161.02953	44.2
166.07286	18.4
169.03477	26.0
171.01416	16.4
173.02998	46.5
174.57388	10.4
175.04710	14.3
182.21494	11.2
185.02948	18.6
187.04527	32.2
189.02431	12.9
194.02832	10.7
197.03041	14.9
199.00876	22.2
203.03996	14.1
211.04536	34.8
221.05266	11.5
223.04456	12.2
231.03580	23.2
245.05095	22.4
263.06161	11.7
271.06647	20.4
281.05161	11.2
289.04105	54.3
299.06067	13.3
301.03943	25.0
303.09152	15.9
307.05228	55.4
319.05093	17.7
359.08197	19.3
409.09271	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	408.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	1.3
70.06572	1.0
71.50632	0.6
71.51085	0.7
78.04724	0.7
79.76107	0.6
81.03421	1.0
81.07050	0.6
85.02900	4.4
89.37751	0.6
91.05499	0.8
93.07018	0.8
97.02894	1.1
105.06998	0.8
107.04964	1.5
119.04884	0.8
121.06480	1.8
123.04446	2.4
123.12379	0.8
147.04419	1.3
149.05989	2.4
150.65295	0.6
152.04805	0.8
153.01843	2.0
158.66396	0.7
161.05949	1.2
167.07056	100.0
168.07426	1.4
175.07520	0.7
181.08600	2.1
185.22261	0.7
193.08606	3.8
211.06622	0.7
211.09669	16.0
228.03862	0.7
229.10707	10.3
234.99185	0.8
261.10742	1.5
277.03503	2.3
338.60825	0.8
434.20770	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.7
55.05506	3.2
56.40198	1.1
57.03422	1.5
67.05508	6.5
69.03442	2.3
69.07059	4.9
71.04993	1.4
71.52090	2.3
79.05500	3.5
81.03426	2.2
81.07054	15.7
83.04971	3.3
83.08578	3.1
85.02885	7.6
85.06526	1.7
86.09691	1.3
88.74686	1.3
91.05463	8.5
93.07060	3.2
95.04976	3.5
95.08630	4.9
97.06525	3.6
99.04443	2.7
105.07040	11.9
107.08607	5.1
109.06554	3.0
109.10116	2.1
111.04427	2.1
119.08586	10.7
121.02814	2.3
121.10143	5.1
123.11707	6.7
125.09698	1.4
129.05486	2.9
129.07016	3.0
133.10138	9.1
135.11694	2.7
145.04939	1.4
147.11690	31.4
151.11153	1.4
153.01595	1.3
155.07018	2.7
157.10147	5.7
165.12772	13.1
169.12230	3.1
175.11221	7.9
175.14760	2.7
193.12268	4.9
193.15845	2.2
211.13332	12.1
211.17018	4.6
229.14351	100.0
230.14658	2.2
247.09381	3.3
264.49869	1.3
345.68436	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44170	2.1
52.56611	2.4
55.01869	7.2
55.05505	3.6
57.03432	4.8
60.81676	2.1
62.06097	3.4
62.65030	2.2
67.05500	4.5
69.03421	6.4
69.07063	8.6
70.97349	3.7
70.97678	3.4
73.02914	2.6
79.05507	4.7
81.03402	5.1
81.07059	22.4
85.02907	12.1
91.05475	4.9
93.07050	11.1
95.04939	3.2
95.08613	3.7
97.02880	3.7
97.06511	7.0
105.07034	13.1
107.08571	7.1
109.06546	15.7
109.10158	6.4
111.08073	3.0
119.08593	20.2
121.06493	4.2
121.10139	8.4
123.08102	4.7
127.03899	4.6
135.08031	3.4
137.05942	4.2
137.09627	20.5
139.11177	4.1
145.70062	2.2
147.11710	12.8
148.21074	2.4
151.11189	4.3
155.10651	5.3
157.10181	3.3
159.02954	3.3
163.11191	3.1
165.12727	5.3
175.11223	23.5
175.14720	2.6
181.12190	2.4
193.12262	65.4
211.13298	100.0
211.15312	5.1
229.14307	7.8
246.20723	4.0
246.84177	2.3
251.86557	2.5
409.18338	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	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
54.40069	2.4
55.05519	13.8
55.63210	2.6
57.07067	10.8
67.05514	28.9
69.07071	52.4
69.68152	14.1
71.08627	8.5
79.05495	17.1
79.09995	2.4
81.07066	100.0
83.08625	17.6
89.06039	9.9
91.05468	13.4
93.07049	38.0
95.08613	66.8
97.10152	6.3
105.07041	37.5
105.60528	2.2
107.08598	50.2
109.10161	47.1
111.11750	4.0
113.00014	17.3
117.07018	5.2
119.08594	40.7
119.09389	4.1
120.04679	2.7
121.10163	37.9
123.11723	26.4
129.06990	4.5
129.53995	2.3
131.08598	15.6
133.10130	24.3
135.11702	23.7
137.13240	12.4
143.08559	9.3
145.10133	25.9
147.11714	28.3
149.13264	14.1
151.14903	2.9
156.09413	2.7
157.10179	15.2
158.10957	3.7
159.11694	35.8
161.13235	18.5
163.14833	8.1
169.02620	13.6
169.10143	4.1
171.11671	13.1
173.13239	24.0
175.14818	13.3
177.16380	7.0
183.11761	4.5
185.13187	13.2
187.14862	13.9
189.16457	12.5
191.17998	5.7
197.13324	3.3
199.14880	10.1
201.16446	13.4
203.17943	5.3
211.14920	3.5
213.16354	11.1
215.17981	11.8
217.19669	5.2
225.16402	2.8
227.17964	11.6
229.19540	11.0
239.18175	2.9
240.37811	2.4
241.19618	8.0
243.21028	3.5
253.19511	3.7
255.21162	9.7
257.22787	5.6
269.22507	4.6
271.24176	4.7
283.24356	6.1
295.24524	3.2
297.25912	5.5
311.27527	4.5
325.28946	6.8
337.28754	4.1
351.30460	4.3
407.36786	96.3
408.36856	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	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03952	1.1
55.05513	8.6
57.07064	3.9
65.03929	2.1
67.05507	17.2
69.01543	1.1
69.07069	18.2
71.12257	1.9
76.00392	1.0
79.05490	6.9
81.07057	31.9
81.52238	1.0
83.08622	6.2
88.24797	0.9
89.35137	1.0
91.05484	7.3
93.07053	16.6
93.19478	1.0
95.08611	59.4
96.08997	1.0
97.10168	4.2
105.07037	23.8
107.08601	32.9
107.76585	1.0
109.10157	40.0
111.11718	4.5
117.07036	2.2
119.08586	32.5
121.10149	28.9
122.10542	1.1
123.11719	15.5
131.08585	5.3
133.10136	21.6
135.11700	18.9
137.13277	12.0
143.08591	1.8
144.09306	1.3
145.10112	11.1
147.11690	21.0
149.13275	9.8
151.14908	1.3
157.10178	4.9
158.10933	1.6
159.11694	15.8
161.13260	17.1
163.14830	7.8
165.16423	1.3
169.02687	1.7
171.11671	1.9
172.90575	1.0
173.13292	9.6
175.14836	8.4
177.16388	9.4
183.11771	1.4
185.13298	3.0
187.14828	8.1
189.16402	20.2
191.17952	13.7
199.14857	3.1
201.16402	11.3
203.17961	16.5
205.19495	5.9
213.16476	2.4
215.17966	13.5
217.19530	12.4
219.21066	1.6
225.16541	1.2
227.17981	3.5
229.19466	6.2
231.21100	4.1
241.19595	2.4
243.21121	5.3
245.22594	7.5
255.21080	5.0
257.22626	5.0
259.24265	1.1
269.22623	6.0
271.24396	2.9
283.24194	3.2
297.25735	3.2
311.27377	4.1
323.27106	1.4
337.28784	2.4
351.30481	2.2
365.31992	2.6
380.52179	1.2
407.36731	100.0
408.37000	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	407.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.8
57.03437	4.6
57.07080	6.4
59.04999	0.7
66.80003	0.6
67.05516	4.0
69.07077	2.0
70.06985	1.9
71.08632	4.1
73.48204	0.6
74.38888	0.6
79.05468	1.5
79.23288	0.7
81.07069	5.1
82.20142	0.6
83.08629	2.3
85.10178	2.8
89.06042	0.7
91.05492	1.7
93.07071	2.2
95.08612	6.1
95.34804	0.7
97.10164	1.0
105.07008	1.5
107.08620	1.5
109.10152	3.1
113.00026	100.0
119.08587	2.7
121.10134	1.0
123.11669	1.0
128.06294	0.7
131.08578	0.8
133.10175	1.5
143.08557	0.9
145.10121	2.7
149.05939	0.6
157.10068	1.2
158.10861	0.7
159.11720	1.0
169.02618	98.1
169.10156	1.2
171.11734	0.6
181.10031	0.6
183.11557	0.8
185.13229	1.0
407.27795	0.7
423.24808	0.7
427.75278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.05518	6.9
57.07077	8.9
65.03942	3.9
67.05509	34.6
69.07074	17.1
71.04984	2.7
71.08638	6.5
71.20493	3.0
79.05503	5.2
81.07067	22.8
83.08624	8.3
85.10203	3.9
89.06026	2.0
91.05471	4.4
93.07050	11.7
95.04979	13.4
95.08614	33.0
97.06532	1.3
97.10175	6.0
99.04446	9.4
105.07034	10.6
107.05002	1.6
107.08608	16.5
107.09296	1.6
108.24909	1.2
109.10162	23.8
111.11722	6.2
113.00038	5.2
113.06008	3.2
117.07039	1.3
119.08595	16.0
121.10156	13.1
123.04431	17.4
123.05242	1.9
123.11701	10.2
125.05994	8.1
125.13289	2.0
129.05481	1.4
131.08600	4.4
133.10136	11.5
135.11717	8.7
136.70360	1.2
137.13251	6.0
138.52078	1.4
139.07477	2.5
141.05478	100.0
145.10164	6.6
147.11690	11.9
149.13248	6.4
151.11229	1.7
151.14842	1.5
157.10075	2.1
159.11697	7.7
161.13293	7.2
163.14835	5.6
169.02638	8.0
170.06281	1.5
171.11800	2.1
173.13326	5.5
175.14859	6.1
177.16452	5.2
185.13295	2.3
187.14868	5.8
189.16435	11.2
191.17982	7.5
201.16386	6.1
203.17934	6.0
205.19562	3.9
213.16408	1.4
215.18016	5.6
217.19597	5.5
229.19705	2.3
231.21239	1.5
243.21254	4.0
245.22672	4.6
254.74179	1.4
255.21126	2.3
269.22842	4.1
283.24289	2.1
297.25739	1.7
311.27231	1.3
330.07617	1.2
347.33276	3.7
389.34085	7.2
407.36295	61.3
408.36816	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61755	1.6
53.41933	1.4
55.05501	1.6
56.24940	1.5
57.03431	3.3
67.05502	4.0
69.03424	5.8
69.07060	4.4
69.48664	3.0
69.49082	7.6
70.06593	1.5
71.04994	7.3
77.53960	1.3
77.99825	1.3
79.05492	2.0
81.07062	8.1
83.04984	2.6
84.04458	1.6
85.02908	10.2
85.06531	1.7
91.05417	2.1
93.07041	4.5
95.08624	7.0
97.06525	1.7
105.07036	6.8
107.08608	12.7
109.06522	1.8
109.10154	9.9
111.08105	3.1
119.08594	5.4
121.06466	1.9
121.10149	68.2
123.08065	1.8
123.11675	5.2
125.09628	1.9
127.03890	2.7
131.08583	2.3
133.10146	8.8
137.09607	7.2
139.11185	5.7
145.10141	1.8
147.11679	7.6
149.13235	11.0
151.11194	12.3
153.01830	2.3
153.09074	3.6
162.73715	1.7
163.11156	1.7
163.14827	7.9
169.12230	3.4
173.13298	13.3
191.14310	40.0
209.15355	21.5
216.85306	1.4
227.16437	100.0
228.16814	2.5
252.19473	1.6
259.11139	6.1
295.68799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99575	2.2
67.05486	3.6
69.03420	2.7
69.07072	2.1
70.06573	4.4
71.05000	1.9
71.51034	2.9
79.05486	3.1
79.60943	1.7
81.03421	2.3
81.07043	5.8
83.04997	2.0
84.04487	3.3
85.02899	3.9
85.06580	2.8
86.09698	4.0
91.05456	6.8
93.07038	3.8
95.04922	3.8
95.08598	3.6
105.07044	2.6
106.02883	2.4
107.08608	3.8
108.04486	4.6
109.02868	3.1
116.01643	3.3
119.04942	3.1
119.08568	1.9
120.04446	7.2
121.02847	6.4
122.03171	2.3
123.04351	2.0
124.03931	4.8
125.09660	3.7
127.03828	2.5
129.10246	3.5
129.42493	1.8
134.12943	1.8
138.05479	4.9
145.10088	2.0
147.04457	10.3
147.08044	2.0
152.07143	2.9
154.05014	3.4
162.02287	2.0
168.06523	2.2
178.03653	2.0
178.04930	10.9
188.03436	7.3
196.06030	5.1
206.04633	3.1
211.08807	2.2
213.10135	3.7
213.36548	2.0
215.08305	2.4
215.10687	1.7
221.10873	1.9
223.08644	5.6
225.10229	2.3
227.08110	14.5
227.11620	2.7
229.06152	2.1
229.09644	2.9
237.10211	12.9
239.11789	4.1
241.09813	15.3
243.11310	4.2
245.04395	3.6
245.09230	5.4
250.07018	2.0
251.08176	14.9
255.07626	9.6
255.11334	8.0
257.09088	3.9
257.13013	2.0
259.10934	6.6
260.11447	7.2
265.09729	13.5
266.08038	2.1
267.11169	4.9
269.09222	36.2
271.10703	8.5
273.08670	11.7
273.12006	4.0
279.07666	25.3
280.08264	3.4
283.10742	12.8
284.08994	2.4
285.12210	2.9
287.10205	3.6
289.11697	2.3
293.09250	20.4
297.08728	54.8
299.10312	9.6
301.11752	6.8
305.11255	2.7
311.10208	8.9
313.11868	3.4
314.09979	2.4
315.09793	31.9
315.13284	2.2
317.11325	11.4
319.12854	5.9
321.08603	10.6
325.11801	6.5
329.11267	11.2
333.10757	17.3
339.05936	3.4
339.09738	35.6
343.12808	8.6
345.10913	17.5
347.12320	5.2
357.10928	15.5
371.12393	19.5
375.11862	12.9
377.13165	2.6
389.13425	100.0
390.13068	2.3
407.14386	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.7
53.32610	2.3
54.07202	2.3
55.01850	4.4
55.05504	3.4
56.95146	2.2
57.03433	3.7
57.47762	2.2
61.02929	6.7
67.05499	8.5
69.03424	10.7
69.21811	2.4
70.81001	2.6
71.04984	4.9
71.51388	4.1
79.05480	6.0
81.03417	5.1
81.07046	10.0
83.04996	2.7
84.41196	2.3
85.02906	30.4
91.05485	5.2
93.07043	28.2
95.08595	2.9
97.02886	9.8
97.06530	8.4
99.04472	22.3
101.06006	3.3
105.07043	23.5
107.08598	22.0
109.02882	3.2
111.08077	4.1
119.08598	17.9
121.06506	16.6
121.10144	52.1
123.08069	4.9
127.03896	5.2
131.08540	4.0
135.08064	4.9
135.11728	11.0
145.04965	6.4
145.10133	29.2
149.09607	5.6
162.02263	2.9
163.11191	69.7
173.09645	3.9
180.08688	4.2
181.12256	41.8
191.10699	56.2
192.10925	3.5
209.11739	52.9
227.12805	100.0
244.15306	3.4
259.11084	7.0
280.41010	2.5
350.14581	2.2
374.14023	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.6
55.05512	33.6
56.36036	5.2
58.99584	11.8
66.77248	4.8
67.05500	13.2
68.04991	5.1
69.03423	14.7
69.06720	5.0
69.07076	10.2
70.06583	12.6
70.30771	5.2
70.79655	14.8
76.02218	18.2
79.05480	12.4
81.03434	7.2
81.07068	30.8
83.04983	48.3
83.08610	21.2
84.04502	16.4
85.02898	23.9
85.06520	14.0
86.99082	6.8
87.02710	8.9
91.05476	9.7
93.07033	18.2
95.05004	7.3
95.08604	18.5
97.02879	15.0
97.06506	7.5
97.10178	14.1
98.09711	7.1
99.08062	6.1
107.08615	62.7
109.06495	7.5
109.10162	10.1
111.08077	48.9
113.00123	5.0
113.04177	6.7
113.05991	19.0
116.01682	18.2
118.95952	6.3
119.08602	11.2
119.47193	5.0
121.10146	25.6
125.09600	7.8
127.07555	18.8
130.05006	7.4
130.70917	5.3
133.10139	36.3
135.08044	9.8
135.11685	23.4
147.11565	6.0
149.13260	14.7
151.11186	15.2
153.09084	72.0
156.08438	17.3
156.10190	11.1
157.06770	6.6
162.02228	15.9
163.14807	7.4
173.13187	10.6
174.09492	7.4
179.04814	8.0
191.14310	77.0
209.15385	61.0
216.06979	6.4
219.01709	6.6
244.09886	7.4
259.11151	100.0
269.09216	8.7
331.13184	6.6
339.09567	6.5
375.12039	7.0
389.13168	7.2
407.14301	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	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
53.50345	1.7
55.01872	2.2
55.05504	7.9
57.03429	5.3
67.05497	6.0
69.03429	8.4
69.07064	4.9
70.76666	4.2
71.04992	2.5
79.05487	15.9
81.07063	34.4
83.04983	6.4
83.08630	2.6
84.04510	2.9
85.02898	7.3
91.05456	8.5
93.07045	5.3
94.04327	2.2
95.04999	3.7
95.08604	5.6
97.06548	1.9
102.04086	2.0
105.07030	9.6
107.04955	5.4
107.08610	22.9
108.14551	2.0
109.06522	33.5
109.10165	15.4
111.08089	2.4
117.07017	2.5
119.04930	1.9
119.08582	14.7
121.06497	12.3
121.10141	14.6
123.08112	2.8
123.11697	4.3
125.09644	4.8
127.07568	4.9
129.07025	3.3
131.08525	8.8
133.10161	6.3
135.04453	9.8
135.08058	8.4
135.11678	4.8
137.06009	19.9
137.09636	10.3
139.11125	2.1
142.07753	2.9
143.08574	7.0
143.10739	2.0
144.06590	2.8
145.06491	2.2
145.10115	5.2
147.08041	4.7
147.11732	4.3
148.07652	6.0
149.05994	3.4
149.13263	7.7
151.07565	3.3
151.11151	19.6
157.10165	5.9
159.08086	10.4
159.11697	3.0
161.09583	9.3
163.14801	10.6
165.12802	2.1
166.07797	3.0
169.12218	6.4
171.11649	4.2
173.13280	19.6
175.07518	3.5
175.11217	6.3
184.08810	2.4
185.09645	4.5
187.07538	2.8
187.11142	3.4
189.12769	2.6
191.14317	45.5
199.11179	10.1
203.10654	7.2
209.09480	1.9
209.15384	26.2
215.10753	10.1
217.12256	18.0
227.10692	6.5
227.16432	100.0
228.16776	5.1
236.09372	2.2
245.11758	31.0
254.10239	19.4
259.11066	3.5
406.18622	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	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85501	0.9
55.01866	4.1
55.05506	2.9
56.05036	8.9
57.03439	6.8
58.96832	0.8
58.99592	16.6
61.01147	2.1
67.27210	1.1
68.05031	2.1
69.07073	1.9
69.58961	2.5
69.59380	5.1
71.39001	0.9
73.01134	2.6
74.00661	2.4
74.02417	1.1
75.67817	0.9
76.02235	27.9
76.04001	3.0
78.15260	0.9
79.05489	5.4
80.05022	1.2
81.07059	24.6
83.06093	1.8
84.04512	39.0
85.01159	5.5
86.00642	5.5
86.99061	9.9
87.02689	7.8
88.02211	3.7
93.07059	1.1
95.08606	3.9
97.01124	1.0
97.06524	2.4
98.09705	13.2
98.21461	1.9
99.05607	1.7
99.08093	5.5
102.05559	6.0
105.07034	1.7
110.09682	2.5
112.03973	4.7
113.04252	7.1
115.05769	1.3
116.01681	28.2
122.09681	2.3
123.08060	1.5
127.05778	1.2
129.06589	3.5
129.07408	1.1
130.04997	8.1
130.06880	5.6
130.08629	2.4
139.05783	2.8
142.03227	3.7
142.04942	1.2
143.02757	1.2
144.01125	11.2
144.79108	0.9
145.06004	1.1
156.08430	26.9
156.10207	11.0
157.06837	8.1
162.02222	25.5
174.09483	15.1
179.04871	9.8
187.05295	1.7
188.03795	1.1
189.03349	1.1
210.11313	2.4
216.06909	6.7
233.05928	2.5
242.08487	1.2
245.06007	1.1
259.11139	100.0
260.11609	2.4
313.12210	5.2
331.13187	5.9
346.19562	1.1
388.15442	2.0
406.16336	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	405.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01881	2.3
57.03413	1.7
64.54922	1.4
65.03949	7.0
67.05499	4.5
69.03433	4.5
69.07078	3.3
71.51223	1.3
71.51582	2.3
79.05503	8.7
81.03423	5.0
81.07056	5.7
82.04200	3.9
83.05006	1.6
84.08156	3.1
85.02902	7.5
86.09731	1.4
91.05485	5.8
93.03408	2.9
93.07064	3.6
94.04218	1.5
95.04975	5.4
95.08618	3.3
97.02887	2.2
97.06524	4.1
105.07047	5.1
107.04957	16.2
107.08595	1.8
108.02069	1.4
109.06528	2.6
110.03663	4.8
111.04421	2.9
113.23029	1.3
115.05470	5.9
117.07025	4.6
121.06529	2.7
122.03628	3.2
122.10614	1.7
123.04429	6.4
124.05236	2.6
125.06011	3.8
127.03940	1.9
128.06259	4.2
129.07008	9.6
131.04926	2.4
131.08644	1.7
133.06476	3.4
135.08139	1.4
137.02327	1.7
137.05984	36.4
138.03149	3.4
142.02620	2.9
143.04921	4.9
143.08627	1.4
144.05792	2.7
145.06502	7.6
147.04396	1.7
147.08125	3.3
149.06001	3.4
149.09663	2.4
151.03917	16.9
151.05023	2.5
151.07475	1.4
153.01846	2.2
153.05447	4.1
157.06491	11.1
158.97414	1.5
159.08067	3.5
160.05289	1.9
161.05986	6.8
161.09650	2.9
163.07558	2.0
165.05435	2.2
167.07074	33.4
171.04451	5.7
171.06544	3.4
171.11710	1.5
172.05232	9.1
173.05991	2.7
174.04280	1.4
175.07538	7.9
181.04965	100.0
182.05200	1.4
187.07603	5.6
189.05476	3.4
189.09099	7.9
191.07036	4.7
200.04753	3.9
203.06999	11.8
205.08591	4.4
206.05753	3.0
216.97981	2.0
218.05783	6.5
221.08086	6.1
233.08086	51.8
234.06630	2.8
234.08675	1.6
235.09486	2.4
249.09270	2.4
251.09053	2.4
263.09134	11.3
265.08777	2.4
277.08582	1.8
293.08081	2.6
297.11392	1.7
307.09708	2.5
309.11230	3.1
319.09250	1.5
325.10541	2.9
337.10583	6.1
341.14133	2.4
351.12363	2.4
357.13458	10.9
369.13446	5.9
387.14365	29.6
405.24298	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05519	2.5
57.03440	3.0
59.04994	5.4
61.02910	3.4
61.88239	1.3
67.05517	2.9
69.03426	11.6
69.07071	5.9
71.04990	2.3
71.11693	3.3
72.92057	1.6
73.02904	1.9
78.75873	1.3
79.05481	2.6
81.03409	6.2
81.07053	8.5
83.04977	5.8
85.02914	24.5
87.04475	5.9
88.06043	1.4
89.06028	4.4
91.05491	9.0
93.07042	17.5
95.04969	1.8
95.08598	6.4
97.02906	12.4
97.06518	3.8
99.04475	1.7
99.90394	1.5
101.06016	1.8
105.07029	15.0
107.08604	16.6
109.02886	3.0
109.06530	7.2
109.10144	2.5
111.08096	3.3
119.08562	11.5
121.10138	9.3
123.08054	6.8
127.03900	8.4
128.69208	1.3
131.08554	6.5
133.10127	10.8
135.08018	1.7
135.11682	1.9
137.09624	3.8
138.09166	2.4
139.11194	14.1
145.04980	4.3
145.10135	3.0
147.08049	6.9
147.11708	9.2
149.09561	3.6
151.07553	8.5
151.11194	17.6
153.01758	2.4
156.09331	2.9
159.11647	3.8
161.09639	3.3
161.13271	12.9
163.11183	4.6
165.09108	3.2
165.12706	2.4
166.24638	1.3
171.11667	7.4
174.10413	2.0
177.12752	4.2
179.10606	3.1
179.14333	2.4
183.57513	1.5
189.12752	25.0
205.12193	2.0
207.13812	75.3
208.14035	1.8
225.14865	100.0
226.15088	3.8
243.16006	2.7
295.45132	1.5
307.23053	1.6
356.71426	1.6
369.18848	2.4
387.20163	12.2
404.22867	20.9
420.39999	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
57.03417	2.5
61.02912	3.1
67.66626	2.4
69.03436	17.4
69.26460	2.1
69.48495	17.5
81.03410	4.4
83.04989	3.2
85.02918	15.2
91.05485	10.5
93.07034	3.0
95.04964	3.3
97.02888	4.4
98.21539	3.9
105.07034	6.7
107.08573	2.4
109.06522	23.3
114.29577	2.7
119.08598	12.3
121.06508	10.3
121.10103	3.7
123.08092	6.9
127.03922	2.5
129.12437	2.5
131.08583	23.5
133.06445	3.1
135.08046	2.5
139.49219	2.2
144.54291	2.7
145.04849	3.2
145.10199	2.8
147.08066	18.0
151.07555	100.0
163.11174	6.8
171.11682	6.6
182.16127	2.6
189.12740	29.5
207.13837	63.4
284.22296	2.6
369.19315	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	404.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
53.30803	1.4
55.05515	23.1
55.31283	1.7
56.05041	8.7
57.03436	2.7
57.07060	6.9
58.02962	16.9
58.06606	9.3
60.04511	3.1
60.33575	1.5
65.03926	2.5
67.05510	28.8
68.03538	1.5
68.70510	1.5
69.07076	10.6
70.06599	85.4
70.74174	1.7
71.08609	3.5
71.51161	2.3
78.94132	1.5
79.05476	4.4
81.07069	24.0
82.06561	2.1
83.08617	5.6
84.08143	4.2
91.05480	3.6
93.07043	7.2
95.04978	6.6
95.08063	2.4
95.08614	34.2
97.06542	1.7
97.10165	1.9
103.05434	2.1
105.07006	2.6
109.10149	5.2
112.11254	53.8
117.07004	3.0
119.08602	2.5
121.10152	2.5
123.04434	77.5
123.11713	3.7
131.04922	1.8
134.88615	1.6
137.05952	5.9
140.14343	20.5
147.04364	2.6
149.05974	5.3
149.54073	1.6
151.07544	3.9
161.05923	4.1
163.07558	7.0
168.17438	1.9
176.53513	2.1
177.09105	2.0
179.14264	2.1
181.65765	1.9
182.67749	1.7
242.51711	1.6
290.21167	32.7
318.24298	100.0
319.24573	3.8
376.32010	3.3
387.28967	3.5
394.81799	1.7
404.31531	58.8
404.36642	3.2
405.31409	2.0
410.44580	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	405.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00046	0.8
53.03938	2.4
55.01877	2.3
55.05502	1.0
56.05035	1.3
57.03438	9.2
61.02929	4.6
65.34747	0.9
68.99812	1.8
69.03442	15.5
69.03808	1.0
70.61882	1.5
70.62237	2.4
71.01336	1.8
71.04996	2.0
72.08149	1.1
73.01194	0.8
73.02921	3.3
75.04474	0.9
76.02235	1.5
79.05511	1.2
81.03423	11.3
81.07046	2.8
84.04536	2.1
85.02910	52.8
87.04463	1.7
91.03957	3.2
91.05475	1.2
95.04982	1.3
97.02904	16.7
98.09708	1.1
99.04475	5.6
101.30636	0.8
103.03964	1.8
107.04955	1.4
109.02887	18.5
111.00816	4.3
111.04472	1.1
115.03912	1.1
116.01662	2.1
117.05508	3.0
117.41732	0.9
126.03149	11.1
127.03928	15.3
137.02361	1.1
141.05476	41.3
144.01099	1.1
145.04974	15.3
153.01839	4.4
153.38087	0.8
154.02661	1.1
156.08382	1.3
156.10310	1.2
163.06041	2.2
169.04979	100.0
173.35692	0.9
174.09554	1.1
201.07712	1.0
203.40598	1.1
211.06035	3.9
243.08636	1.5
244.09711	2.1
259.11108	7.7
361.14700	2.7
402.12738	0.9
405.04297	2.8
405.13483	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	403.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.1
56.96575	4.6
56.98651	4.6
61.56352	3.7
67.05496	4.9
69.03418	17.2
69.07054	11.0
70.06592	11.1
71.51375	7.7
72.08165	61.8
79.05487	10.4
81.03405	15.2
81.07076	5.7
83.04950	5.3
84.04500	11.2
84.08138	8.4
85.02911	34.2
85.06541	6.6
86.06040	4.7
86.09718	60.2
91.05477	22.1
93.07046	35.3
95.04964	10.9
97.02895	15.9
97.06525	5.5
105.06998	8.6
107.05042	5.3
107.08605	9.8
109.06478	5.2
119.08559	8.0
121.06509	53.4
123.04428	9.9
127.03905	7.7
127.07552	5.8
131.08604	7.0
133.10167	6.4
138.11018	4.7
143.11790	5.8
147.04420	5.6
148.03877	5.0
149.09677	8.2
153.01860	10.9
159.11736	6.7
161.09416	4.8
162.05446	6.5
163.11171	7.6
167.07086	14.2
175.11037	6.3
177.09106	5.9
179.10716	6.0
187.10942	15.3
189.12337	13.6
205.12256	36.5
215.10292	11.0
223.13268	22.2
235.15126	5.1
241.10399	6.6
313.38708	5.4
403.10043	27.9
403.15482	100.0
403.20447	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	404.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
55.01869	5.7
55.05509	2.7
57.03434	2.3
61.02925	4.1
67.05505	4.1
69.03435	13.6
70.62942	6.0
70.87474	2.3
71.05006	12.8
73.02936	3.6
79.05496	7.6
81.03405	4.9
81.07066	37.1
85.02908	20.6
91.05492	28.1
91.61492	2.3
93.07059	30.9
95.04987	3.6
95.08605	6.2
97.02895	18.3
97.06533	2.8
99.04463	40.3
99.36178	2.4
104.21829	2.7
105.07040	57.3
107.04923	3.7
107.08611	19.3
109.02882	2.7
109.06544	10.4
109.10175	3.4
111.08089	21.5
117.06984	4.1
119.08583	8.3
121.06524	5.9
121.52053	2.4
122.44509	2.4
123.04456	2.4
128.06258	5.0
133.06499	10.8
133.10136	87.0
135.11703	5.1
137.05975	13.4
143.08580	12.3
145.04921	3.6
145.10130	6.0
146.07231	3.1
147.08057	4.6
151.07541	3.8
151.11200	8.1
161.09625	90.7
161.10957	4.9
163.11142	18.0
165.09117	7.8
179.10687	40.4
180.08609	2.4
181.94705	2.2
189.09126	34.4
189.71295	2.8
201.11337	2.4
207.10207	25.6
207.13875	2.7
219.01552	2.3
225.11240	100.0
294.57309	2.5
372.42831	2.7
373.13678	2.7
400.15863	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35225	3.7
63.37609	3.2
66.92069	3.8
67.05506	4.5
69.03441	12.6
71.04988	11.9
77.10815	4.3
79.05489	11.3
81.03391	4.0
81.07059	35.6
85.02900	14.6
91.05464	19.6
93.07053	37.3
95.04947	7.1
95.08584	8.5
97.02914	19.3
99.04461	42.8
105.07040	66.8
107.08615	25.3
109.06528	8.1
111.08097	23.6
115.27776	4.0
121.06464	5.1
133.06519	8.3
133.10146	92.6
135.11613	7.8
137.05984	8.3
143.08566	9.0
145.10159	5.4
151.11197	9.1
161.09633	100.0
163.09988	4.0
163.11206	15.5
179.10698	45.3
189.09081	35.8
207.10205	27.9
208.49928	4.7
225.11212	99.0
376.60611	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	11.0
69.03428	17.0
70.06594	21.2
71.21038	16.9
72.08172	15.5
81.03415	9.9
81.07052	18.9
84.08121	9.3
85.02914	57.4
86.09713	74.8
91.05524	21.0
93.07048	17.5
95.04998	9.3
95.08613	14.2
97.02916	14.8
105.07043	29.9
107.04990	10.8
107.08612	15.7
119.08585	18.7
121.10164	15.7
123.04427	10.9
123.11709	24.2
125.09704	9.2
127.03894	9.8
133.06496	20.2
135.08096	12.7
138.09140	20.5
145.10115	23.6
147.11708	29.4
149.09624	48.7
156.09325	12.9
165.68640	8.8
166.08713	10.2
167.10683	33.0
171.11694	17.1
189.12750	100.0
207.13805	62.3
209.11705	11.0
216.20087	9.8
242.17361	20.1
405.17358	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.4
55.05522	5.9
57.03434	6.5
57.89966	5.5
64.93034	5.9
67.05492	10.3
69.03417	20.4
69.85213	33.0
70.06593	16.8
72.07877	5.3
72.08163	55.9
79.05514	12.9
80.95535	6.1
81.03375	9.8
84.04508	13.5
84.08165	7.4
85.02898	23.0
86.09705	58.7
91.05476	13.2
93.07039	36.5
97.02881	10.2
105.07006	10.0
107.08543	8.1
119.08578	7.8
121.06507	63.4
121.10141	8.1
123.04411	16.3
123.08057	8.6
129.10214	8.5
131.08562	5.6
132.10165	9.2
133.06425	7.8
137.09767	7.0
145.10030	7.8
147.08208	6.8
153.01877	7.8
163.11238	9.8
173.09538	7.3
187.11053	10.3
189.12360	16.8
196.96719	6.2
199.64958	6.0
205.12263	35.8
215.10286	11.6
221.07625	9.3
223.13306	25.3
276.22192	6.7
336.63989	6.8
403.09946	48.0
403.15488	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	401.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.9
55.05507	11.3
57.07097	5.3
67.05515	22.1
69.07060	16.2
69.35657	37.4
71.04991	13.5
74.58812	3.7
79.05497	20.7
81.07068	34.8
91.05484	47.6
93.07050	48.7
95.04956	8.7
95.08601	28.9
97.01414	4.6
98.21606	4.5
105.07036	99.0
107.08605	29.7
109.06525	58.1
109.10155	18.0
111.08106	7.1
115.05463	9.1
115.71562	3.9
116.06223	5.5
117.07021	30.4
119.08596	90.7
120.94516	4.4
121.10149	21.1
123.08035	6.4
128.06226	11.6
129.07027	24.5
130.07759	12.5
131.08583	67.1
133.10144	82.3
135.08058	18.2
135.11682	17.0
137.09575	4.9
141.06978	12.5
142.07784	35.8
143.08562	49.0
144.09322	6.9
145.10124	100.0
147.08087	9.5
147.11687	22.5
149.09641	5.2
153.07085	5.8
155.08533	23.6
156.09349	20.6
157.10130	61.8
158.10883	16.1
159.11696	34.0
161.09683	8.5
165.07036	5.5
167.08533	8.8
169.10123	28.3
170.10893	9.9
171.11723	33.5
172.12361	6.0
173.13287	41.7
175.11235	7.0
175.14819	13.2
179.08553	13.8
181.10098	17.2
182.11047	6.4
183.11700	18.2
184.12425	4.4
185.13222	14.9
187.14854	41.5
193.10150	12.4
194.10902	12.7
195.11708	28.6
197.13333	20.6
199.14815	16.6
201.12799	6.6
201.16422	6.8
206.10942	6.9
207.11697	17.8
208.12492	6.5
209.13284	29.8
211.14722	8.5
219.11754	5.0
221.13243	17.9
223.14888	10.7
225.16406	4.5
227.14256	5.5
235.14763	8.1
237.16415	12.4
251.18042	7.8
261.16507	4.9
265.19598	8.1
275.90030	4.4
277.19574	4.8
287.18024	5.2
337.10184	4.3
343.24286	9.5
401.13315	7.4
401.17731	11.1
401.28189	38.1
401.33453	6.2
401.38342	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	402.1552
Annotation	Clivacetine
Peak:m/z	Relative Intensity
55.01888	1.6
61.99581	1.1
63.72977	1.3
69.91314	6.0
75.96798	1.3
79.56852	1.3
81.03457	1.2
81.07058	1.9
85.02902	1.8
85.68276	1.3
91.05490	34.9
93.07053	1.9
95.05025	1.5
105.07032	1.7
107.04971	6.1
119.04948	26.6
119.08591	25.0
123.04434	3.7
131.08614	3.0
133.06512	5.6
136.07587	100.0
144.05696	1.9
145.40939	1.3
147.04387	3.7
147.08057	37.1
151.03900	5.3
157.06487	4.5
159.04462	3.5
159.08032	4.3
161.05994	5.6
162.05548	3.2
165.05507	3.1
165.06886	1.5
172.71170	1.2
174.09079	1.5
175.07573	19.3
176.52676	1.3
177.09122	61.6
178.09480	2.4
182.08136	2.2
185.06049	3.6
193.08589	1.7
202.08624	3.9
203.07071	21.8
207.28914	1.4
221.08128	8.6
222.94876	1.3
284.00266	1.3
320.12808	4.3
338.13901	76.6
339.10248	1.6
339.14136	2.9
356.14954	13.8
384.14771	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	402.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.9
57.07075	3.4
62.23780	0.6
69.03419	1.7
69.07074	6.9
71.08624	2.0
71.24533	1.5
79.05500	4.3
80.06278	1.7
81.03362	0.7
81.07069	7.6
83.08624	4.3
85.10184	0.9
90.82690	0.7
91.05463	1.5
93.07056	0.8
95.04963	2.2
97.10165	2.6
107.04946	5.2
107.74613	0.7
108.05747	9.0
109.06536	9.5
110.07285	1.8
111.11720	1.2
119.04939	0.7
121.06525	12.1
123.04431	4.3
124.05240	0.9
131.08565	1.7
135.04445	0.8
135.08066	2.1
136.05211	24.1
137.05989	78.8
138.06776	31.9
149.06001	3.4
149.09641	5.3
150.06775	11.8
151.07516	1.4
159.08087	2.6
162.06906	1.1
163.07556	5.4
177.09116	53.6
178.09579	1.5
191.10724	2.4
192.11505	0.7
206.13081	0.8
323.06076	0.8
402.34964	100.0
403.35458	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	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28610	4.0
53.03942	10.3
55.01861	11.2
55.05488	12.0
55.34927	4.7
57.03431	9.4
57.07062	6.4
61.02927	8.2
65.03909	4.0
65.90973	4.4
67.05499	18.8
69.03432	27.9
69.07073	26.5
70.06581	10.4
71.04977	14.9
71.51743	4.7
72.08156	8.3
79.05505	25.7
81.03069	3.6
81.03431	37.5
81.07062	34.4
83.04974	10.8
83.08591	7.5
85.02894	43.6
85.06551	7.0
86.02369	5.1
86.09698	11.2
87.00814	11.5
91.05480	33.5
93.07040	28.1
95.04964	30.5
95.08593	16.2
97.02884	17.7
97.06541	8.1
103.05431	6.0
105.01840	6.1
105.07037	31.0
107.04950	32.4
107.08575	17.2
108.82768	5.3
109.02881	16.6
109.06512	53.1
109.10182	20.7
113.06014	11.7
115.03880	6.3
115.05395	6.6
117.07016	10.6
119.04906	8.1
119.08556	17.4
119.13347	4.3
119.42136	4.4
121.06487	18.6
121.10139	13.7
123.04434	15.1
123.08054	6.5
123.11679	7.9
127.03917	25.7
127.11192	4.9
129.06946	6.8
131.08546	13.5
133.06447	7.5
133.10121	17.8
135.08003	6.9
135.11664	8.1
136.07558	5.4
137.05977	66.7
137.09634	9.0
139.11162	4.4
141.06932	4.5
145.04959	9.1
145.06430	5.0
145.10121	8.6
147.04393	7.3
147.08012	13.6
147.11717	11.7
149.06012	5.4
149.09590	14.9
151.11197	9.1
153.01889	6.2
153.12709	9.1
156.05675	5.4
157.10139	7.0
159.08014	15.6
159.11667	9.5
160.08774	7.0
161.09607	11.6
163.07483	6.7
163.11180	10.6
165.05496	34.5
167.07031	42.5
173.09561	5.8
175.07579	6.8
175.11176	73.1
177.09087	7.4
177.12717	8.2
181.12236	5.9
190.84644	4.7
193.12254	11.8
195.13776	10.0
203.10655	44.2
205.12213	8.9
217.08586	14.0
219.08142	7.2
221.09697	5.4
221.11732	100.0
231.08023	5.8
234.06648	6.0
239.12782	7.9
243.13635	4.7
247.07437	10.6
247.09767	6.8
248.08389	5.1
256.99414	6.6
261.14850	7.5
263.10660	5.9
264.07712	6.0
265.08652	5.6
269.08002	5.5
279.09998	5.8
282.08759	4.7
307.09586	9.0
315.08496	17.3
323.12924	9.8
330.11008	23.0
331.11789	6.4
339.12469	6.4
351.12451	9.0
357.15192	7.4
368.12726	6.7
383.02756	10.8
383.14899	41.4
401.18433	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01864	2.5
55.05506	2.8
57.07077	1.5
57.75467	1.0
59.04989	2.1
61.02925	2.3
61.17934	1.0
67.05508	2.0
68.99787	1.8
69.03439	12.0
69.07067	3.9
69.64250	6.8
71.04983	2.2
73.02907	1.4
77.69579	1.1
79.05499	4.4
81.03422	11.3
81.07067	6.5
83.05001	1.2
83.99809	0.9
85.02920	13.0
86.09689	1.4
87.00827	6.1
87.91907	1.0
91.05489	9.3
93.07050	21.1
95.04990	2.8
95.08597	4.9
97.02882	6.9
97.06551	2.2
99.04464	2.9
105.01887	3.6
105.07066	6.1
105.70101	1.1
107.07879	2.0
107.08603	37.5
109.02897	6.2
109.06526	2.1
109.10168	4.1
119.08575	6.6
121.06478	1.5
121.10143	2.0
123.04427	4.2
127.03918	14.5
131.08565	1.7
133.10168	2.1
135.11700	100.0
136.12030	2.0
145.04968	2.9
145.10150	1.2
147.11746	1.8
153.01857	2.6
153.12787	8.3
159.02936	2.7
165.09297	1.7
205.12306	1.1
213.03862	1.6
221.11703	5.0
231.05017	1.7
242.68507	1.0
243.13892	2.4
261.14914	1.8
293.19208	1.1
383.16739	1.1
401.15967	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
53.52517	2.3
56.10128	2.6
65.69069	2.6
67.05503	3.8
69.03431	6.5
69.37245	17.0
70.06606	2.6
72.35891	2.3
77.03924	2.5
77.06486	2.4
78.04726	3.0
79.05495	19.8
81.03427	5.4
81.07048	7.1
83.04967	3.2
85.02914	7.0
90.98135	2.1
91.05495	10.9
93.07054	9.8
95.04967	5.3
97.02882	3.8
98.21578	5.0
101.00626	6.4
103.05473	3.4
105.07028	7.0
107.04964	35.2
107.08597	16.0
109.06499	4.4
115.05465	4.1
116.06256	2.8
117.07044	4.8
119.08564	6.5
121.06523	3.9
123.04447	5.3
124.05202	4.7
125.05940	3.5
127.03964	3.8
128.06203	5.6
129.07013	6.5
131.04897	2.7
131.08551	8.2
135.11696	42.1
139.11160	5.4
141.06998	5.6
144.05705	9.1
145.06494	6.3
147.04350	2.9
149.05946	3.3
152.04750	5.2
153.01820	7.6
153.12796	3.0
156.05716	16.1
157.06555	4.1
158.07217	2.4
159.08061	15.1
161.06041	4.9
163.03815	3.2
165.06941	3.0
167.07060	100.0
169.07605	3.1
173.06065	6.9
175.07492	3.6
179.07126	3.9
181.05000	3.6
181.08601	3.8
183.03000	2.4
184.05247	5.8
187.07588	9.5
191.08624	3.2
193.08606	2.5
195.06543	4.2
202.06239	4.9
202.07874	3.1
203.08606	3.3
205.06738	3.4
205.08589	14.2
207.06458	4.4
208.05264	19.5
208.08771	3.3
210.06813	3.7
215.08662	4.4
217.08600	42.0
218.07387	5.1
219.08067	15.2
219.10165	6.0
220.08817	4.3
221.05992	6.9
222.99362	2.7
229.08583	5.8
231.08067	6.9
231.10149	3.8
233.09619	5.3
235.07509	5.4
236.04700	7.6
236.08342	4.7
239.07072	4.9
247.07477	12.3
247.09727	21.8
248.08237	13.0
249.05461	4.4
249.09021	4.1
250.06186	3.1
251.07004	2.3
251.10663	3.3
254.05713	12.7
255.06281	2.7
259.07471	3.7
261.09167	5.7
262.09888	4.9
263.10739	10.8
263.82959	2.9
264.07751	5.0
265.08585	6.6
267.06531	8.6
269.08044	19.7
271.09625	7.0
272.06824	7.1
275.07034	8.5
276.07797	8.2
277.08682	5.2
278.05777	3.2
279.10251	5.5
281.08313	2.8
282.05316	3.2
282.08841	14.7
285.07700	5.9
287.09244	3.6
290.09518	4.6
291.07181	3.6
291.10034	15.5
293.08209	9.2
299.09250	6.7
305.08099	2.5
307.09604	10.7
308.10355	6.5
309.11035	4.1
310.08389	7.8
315.08640	79.6
319.09576	7.0
321.07526	5.9
321.11084	4.0
323.12668	12.7
328.09430	6.4
330.10989	72.7
331.11774	15.1
336.09882	6.0
337.10806	7.7
338.07919	4.7
339.12268	10.5
343.11896	19.9
351.12296	22.3
353.10336	3.6
356.12604	3.0
368.12585	9.7
369.13385	6.0
371.14703	3.2
383.14929	55.4
401.16196	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	401.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.6
55.05503	8.6
60.60850	2.5
65.03902	3.1
67.05502	8.2
69.03427	6.5
69.07048	4.0
71.04996	3.6
71.51449	2.9
79.05499	21.4
81.03410	5.3
81.07052	23.2
83.04974	7.8
83.08656	5.0
85.02894	8.7
85.06554	5.8
91.05479	12.0
93.07070	12.5
95.04932	5.6
95.08606	15.6
97.06530	4.7
98.19958	2.5
105.07037	9.9
107.04955	43.0
107.08591	8.2
109.02885	4.6
109.06511	3.3
109.10143	10.6
111.04468	6.4
115.05437	7.1
116.06242	4.3
117.07070	4.7
119.08606	5.1
119.94173	2.7
120.83573	2.5
121.10158	4.1
123.04419	5.5
123.11733	3.1
124.05225	5.1
128.06216	4.4
129.07013	7.3
131.08533	17.1
133.10132	4.0
135.08075	3.6
137.13297	3.6
141.06967	4.9
144.05702	8.6
145.06496	5.4
145.10059	3.0
151.07524	3.9
152.04790	3.4
153.01825	7.8
153.12785	3.0
156.05727	12.8
157.06499	5.3
158.07246	3.0
159.08081	21.0
161.05960	6.1
161.13254	2.9
163.03992	3.5
167.07053	100.0
173.06021	7.3
185.09395	2.6
186.06757	2.4
187.07520	8.7
187.43042	2.5
189.07167	2.6
190.06261	4.3
190.23523	2.5
191.07031	4.4
193.06583	2.9
195.06520	4.1
202.06239	5.6
203.08638	4.6
203.14519	3.2
205.08582	14.8
207.06523	3.8
208.05222	23.4
209.08075	3.1
210.06700	3.1
211.07405	3.6
217.08591	29.1
218.07237	5.4
219.08035	11.4
219.10048	4.1
220.08919	6.3
221.05959	4.8
229.08618	6.2
231.08029	7.3
232.66408	2.6
233.09698	5.5
236.04675	8.2
236.08350	5.6
238.06435	3.0
239.07135	5.1
239.16510	13.4
245.09628	3.8
246.06895	3.7
247.07524	10.4
247.09705	18.1
248.08354	11.1
249.09175	3.9
251.10710	3.0
254.05742	9.4
259.07599	6.5
260.08273	4.4
261.09164	5.3
262.09906	3.2
263.06946	4.6
263.10666	11.9
264.07953	4.1
265.08566	4.2
267.06442	8.3
269.08157	25.7
271.09741	9.1
272.06699	5.3
275.06973	6.8
276.07767	7.8
277.08658	6.1
278.05798	3.2
278.09207	3.1
279.06833	2.5
279.10165	9.2
282.05853	4.3
282.08774	18.7
285.07648	3.4
287.09235	4.2
289.08408	4.0
290.09402	5.6
291.10104	14.6
292.07285	4.4
293.08118	10.5
299.09030	3.6
307.09616	12.7
308.10358	6.1
310.08496	7.3
315.08633	71.5
319.09720	11.2
321.07495	5.4
323.12738	13.0
325.10489	3.2
328.09396	5.6
330.11005	83.4
331.11691	13.1
336.10120	6.3
337.10629	7.0
339.12292	8.4
343.11691	21.9
351.12277	28.5
352.12863	3.0
353.10196	8.2
356.12616	3.9
368.12442	10.1
371.15045	5.7
383.14935	64.4
401.16092	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	400.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01870	1.5
55.05510	3.9
56.05032	1.1
57.03434	1.1
61.02914	2.2
67.05485	1.0
69.03427	9.4
70.06593	4.9
71.04976	1.4
71.50781	0.9
72.08144	4.5
73.02912	1.9
73.06552	3.7
73.88820	0.6
76.02213	2.3
77.71863	0.6
78.35339	0.6
79.05491	2.2
81.03418	4.1
81.07056	1.0
82.06551	1.1
84.04482	1.6
84.08135	2.0
85.02911	15.5
86.09705	1.9
91.03934	0.8
91.05484	2.3
91.57819	0.7
93.07025	1.2
95.04964	1.0
97.02901	7.2
97.06483	0.8
99.04436	1.7
103.05471	5.0
105.07037	6.1
106.07323	0.9
107.04965	3.0
109.02873	3.0
110.06033	1.8
110.07163	2.3
117.01876	0.8
117.07011	4.4
118.06564	1.5
120.08114	43.1
125.00524	1.0
127.03925	3.6
129.06993	1.0
130.06548	0.7
131.04898	3.4
132.08064	0.9
134.05949	0.7
134.10483	1.0
135.10173	1.6
136.06195	0.6
141.19460	0.6
142.03137	0.8
145.04977	2.1
148.07581	10.2
152.07033	0.9
152.97400	0.8
153.01834	2.6
153.07402	1.5
157.10100	1.3
163.03868	1.2
166.08650	3.4
167.07033	0.7
168.04723	0.9
174.12791	42.2
175.13116	1.0
176.07095	2.6
179.20158	0.7
182.08136	1.2
183.08568	0.7
192.13843	33.4
193.14203	1.1
194.08095	6.5
195.08478	2.0
202.76268	0.7
212.09238	1.0
213.09578	1.4
220.13341	13.5
222.07594	3.7
238.14389	100.0
239.14709	1.8
245.00624	0.7
271.07654	1.7
294.81729	0.9
297.08981	2.5
325.08621	1.3
400.15546	1.0
400.19797	7.5
400.24356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2019
Annotation	Ptaquiloside
Peak:m/z	Relative Intensity
53.03942	1.9
55.01858	1.9
55.05504	3.0
57.03429	2.3
59.05000	1.3
61.02924	3.0
65.03952	0.7
67.05516	4.2
68.27763	0.7
69.03085	0.9
69.03435	13.5
69.07056	2.5
69.16980	7.0
70.06557	0.8
71.04981	2.2
73.02923	1.6
76.57448	0.8
79.05503	4.3
81.03413	3.9
81.07065	11.3
82.02750	0.7
83.01334	1.3
83.04992	2.5
83.08619	1.1
85.02440	1.3
85.02917	19.0
85.06543	2.1
87.04468	2.4
91.03967	0.8
91.05485	3.6
93.07059	5.9
95.04976	2.9
95.08617	10.0
97.02901	7.2
97.06548	3.5
97.10172	1.8
99.04468	3.4
99.08086	1.1
100.11255	0.7
105.07027	5.9
107.04940	1.1
107.08606	5.7
109.02886	2.9
109.06535	2.5
109.10175	8.4
110.07053	0.6
111.04470	0.9
116.07129	0.8
117.06987	1.6
119.08587	5.9
121.06496	1.6
121.10128	3.9
123.08077	4.0
123.11726	5.6
125.06039	1.7
125.09625	1.4
127.03911	3.7
127.07601	1.4
129.05492	0.9
131.08559	2.9
133.06531	0.9
133.10135	2.8
135.08089	2.2
135.11700	2.0
136.06277	0.7
137.06029	1.9
137.09605	2.2
143.08554	1.1
145.04941	1.0
145.10114	2.2
147.08067	1.5
147.11702	4.3
149.09647	2.8
149.13312	1.3
151.07523	3.6
151.11195	1.7
153.01878	1.1
157.10088	0.8
159.08072	1.0
159.11708	5.2
161.09607	4.2
161.13257	2.3
163.07576	1.1
163.11162	1.0
164.95251	0.8
169.10091	1.1
173.13301	1.9
177.12781	4.0
179.10683	3.0
179.14296	3.1
189.12791	3.5
191.14326	3.6
193.10330	0.7
201.12801	1.7
207.13820	12.9
216.04378	0.7
219.13852	5.7
219.17334	1.1
237.14879	100.0
238.15265	3.0
250.09491	0.7
257.00919	0.6
273.03925	2.5
283.02512	0.8
301.03317	0.7
303.01505	1.1
311.05630	1.3
312.99683	1.4
355.04630	1.3
381.19263	2.1
399.10898	5.3
399.20154	49.9
400.20532	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	399.3624
Annotation	14alpha-Methylzymosterol
Peak:m/z	Relative Intensity
53.03947	1.9
55.05513	6.0
56.74585	1.2
57.07092	7.0
60.23530	1.2
67.05515	5.9
69.07066	10.0
71.08624	5.3
74.19018	1.1
74.79443	1.1
79.05491	13.7
81.07053	18.6
83.04980	6.4
83.08610	5.0
85.10196	2.4
91.05473	4.7
93.07058	6.1
95.08612	10.8
97.06538	88.1
97.10168	5.5
105.07030	6.2
107.08589	7.6
109.06522	100.0
109.10171	8.8
111.04392	1.5
111.11734	1.9
117.07008	1.5
119.08578	4.7
121.06483	2.0
121.10101	4.5
123.08064	10.4
123.11710	4.6
129.07040	1.5
131.08575	5.8
132.40074	1.2
133.10149	4.2
135.11710	4.1
137.13306	2.0
143.08597	2.8
145.10150	5.9
147.11685	4.2
149.09663	1.6
149.13306	3.8
157.10115	1.7
159.11714	6.2
161.13277	5.2
163.07431	1.3
163.11237	1.8
163.14784	1.6
173.13249	2.5
175.14890	2.1
177.12729	3.8
185.09645	1.3
185.13390	1.5
187.14847	2.8
193.19884	1.4
199.14822	3.5
201.16341	2.4
205.12407	1.1
215.17960	2.4
231.17427	1.5
241.19461	2.0
249.68336	1.2
341.31998	2.1
381.01697	1.3
381.35095	10.7
399.31619	5.6
399.36292	66.0
400.36584	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	400.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01870	1.5
55.05510	3.9
56.05032	1.1
57.03434	1.1
61.02914	2.2
67.05485	1.0
69.03427	9.4
70.06593	4.9
71.04976	1.4
71.50781	0.9
72.08144	4.5
73.02912	1.9
73.06552	3.7
73.88820	0.6
76.02213	2.3
77.71863	0.6
78.35339	0.6
79.05491	2.2
81.03418	4.1
81.07056	1.0
82.06551	1.1
84.04482	1.6
84.08135	2.0
85.02911	15.5
86.09705	1.9
91.03934	0.8
91.05484	2.3
91.57819	0.7
93.07025	1.2
95.04964	1.0
97.02901	7.2
97.06483	0.8
99.04436	1.7
103.05471	5.0
105.07037	6.1
106.07323	0.9
107.04965	3.0
109.02873	3.0
110.06033	1.8
110.07163	2.3
117.01876	0.8
117.07011	4.4
118.06564	1.5
120.08114	43.1
125.00524	1.0
127.03925	3.6
129.06993	1.0
130.06548	0.7
131.04898	3.4
132.08064	0.9
134.05949	0.7
134.10483	1.0
135.10173	1.6
136.06195	0.6
141.19460	0.6
142.03137	0.8
145.04977	2.1
148.07581	10.2
152.07033	0.9
152.97400	0.8
153.01834	2.6
153.07402	1.5
157.10100	1.3
163.03868	1.2
166.08650	3.4
167.07033	0.7
168.04723	0.9
174.12791	42.2
175.13116	1.0
176.07095	2.6
179.20158	0.7
182.08136	1.2
183.08568	0.7
192.13843	33.4
193.14203	1.1
194.08095	6.5
195.08478	2.0
202.76268	0.7
212.09238	1.0
213.09578	1.4
220.13341	13.5
222.07594	3.7
238.14389	100.0
239.14709	1.8
245.00624	0.7
271.07654	1.7
294.81729	0.9
297.08981	2.5
325.08621	1.3
400.15546	1.0
400.19797	7.5
400.24356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
57.03431	1.7
59.05003	1.0
67.05522	1.9
69.03426	3.7
69.07079	2.0
69.14059	10.9
70.06604	2.1
72.08157	1.5
73.02940	1.6
79.05510	1.8
81.03417	3.4
81.07071	2.6
85.02905	9.5
86.03225	1.1
91.05489	1.5
93.07020	1.3
94.06573	1.5
94.73530	1.1
95.04971	1.1
97.02921	3.3
99.04470	1.2
103.05489	1.7
105.07049	1.4
106.45526	1.0
109.02911	1.7
110.06030	2.2
119.04937	1.0
120.04506	0.9
121.02859	1.1
122.06039	3.6
124.07638	1.4
127.03960	2.8
131.04967	5.0
133.04984	2.7
133.10120	1.0
135.04413	1.0
136.06235	2.0
136.07582	1.5
137.04709	2.5
138.05495	5.1
145.04999	2.8
145.06526	6.8
150.05525	1.3
151.06288	1.8
152.07077	100.0
153.01828	3.2
153.07738	1.7
154.08705	1.7
161.52011	0.9
162.07814	1.3
163.07614	2.1
163.90674	1.0
164.07051	1.0
166.08652	25.0
173.06035	8.2
177.05486	1.7
179.03439	2.9
180.16524	1.0
181.01270	1.1
182.08159	42.5
182.09787	2.3
184.07668	1.8
187.12331	1.2
188.05705	1.6
189.05972	1.8
191.07068	3.7
193.08710	2.5
194.08147	96.7
195.08487	2.1
198.07555	1.4
198.09271	1.9
200.09225	4.8
201.05467	1.7
201.10175	1.5
212.09204	85.4
213.09630	1.4
215.11841	5.5
219.06516	8.5
226.08694	2.1
227.08217	3.1
229.09804	2.5
237.07576	5.0
239.45206	1.0
243.11282	6.3
257.09232	3.9
266.08945	3.9
267.09100	6.4
271.10773	16.1
271.13452	1.2
273.12369	1.2
299.10190	4.9
317.11267	5.3
335.12445	2.9
336.46967	1.0
339.53827	1.1
355.04276	1.3
363.15424	8.2
381.11584	1.3
381.16827	1.1
399.07565	1.4
399.12408	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	399.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.0
53.90397	2.2
54.00180	2.6
55.01872	7.1
55.05510	5.2
57.03434	6.3
57.07060	2.9
59.05006	4.5
61.02915	10.5
61.66943	2.5
67.05507	9.1
68.99795	13.0
69.03435	27.0
69.07069	4.4
70.06584	7.7
70.63159	6.2
71.04999	5.0
79.05479	14.1
81.03426	23.8
81.07063	44.1
83.04963	3.9
85.02918	43.9
85.06553	4.1
87.00837	17.3
89.20407	2.6
91.05490	17.2
93.07053	100.0
95.04989	11.3
95.08620	15.0
97.02906	19.0
97.06541	4.9
99.04456	9.0
103.03934	2.7
103.70140	2.6
105.01864	8.5
105.07041	27.9
107.04968	3.3
107.08587	12.2
109.02885	18.0
109.06505	5.1
109.10199	3.1
111.04424	5.8
115.03941	4.2
116.06342	2.2
117.07008	7.6
119.08563	11.8
121.06499	6.9
121.10143	9.9
123.04458	4.8
123.08009	2.7
123.11715	22.3
127.03925	28.2
128.06163	2.6
128.47841	2.4
129.01855	10.2
129.05573	2.4
129.06963	4.2
131.08582	10.9
133.10159	15.4
135.08037	7.1
135.11685	7.5
137.05972	5.9
143.08571	8.4
145.04941	8.4
145.06435	2.2
145.10141	10.5
147.02930	4.0
147.08041	6.6
147.11685	4.6
149.09630	15.3
151.11205	15.0
153.01869	3.1
155.08434	3.2
157.10115	6.6
159.02937	5.0
159.08063	6.7
159.11705	10.6
161.09679	11.3
163.07559	5.5
163.11165	11.6
173.09619	4.5
175.11206	4.8
177.12764	4.5
181.08546	2.9
187.11151	4.0
189.12737	2.8
193.12320	5.3
199.11195	3.3
201.09068	2.9
213.03914	4.3
213.12756	3.4
217.12195	3.5
219.13840	10.6
231.13763	3.5
237.14822	12.7
241.12274	5.6
250.09227	2.6
259.13336	8.5
312.99716	5.9
355.08160	2.8
381.15390	7.0
399.06949	6.0
399.15594	4.4
399.17032	4.4
399.20538	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	399.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40272	1.2
55.05528	1.5
67.05505	2.5
69.03423	3.5
69.07034	1.3
70.81771	3.6
79.05494	2.6
81.03424	2.8
81.07076	1.4
85.02914	8.0
89.96475	1.1
92.04999	1.2
92.49692	1.0
93.09867	1.1
93.36076	1.1
96.08146	1.2
97.02883	2.7
103.05481	5.3
109.02855	1.6
109.10119	1.1
110.06046	2.9
118.38574	1.3
121.31342	1.3
122.06050	4.0
127.03902	2.6
131.04942	7.0
133.10065	1.2
136.06235	1.8
137.04820	2.6
138.05518	3.2
145.04997	2.4
145.06483	4.5
147.77711	1.1
151.06291	2.1
151.11177	1.4
152.07071	97.6
153.01845	2.2
153.07623	1.5
154.08635	1.9
163.07608	3.5
166.08646	25.2
166.88431	1.0
168.16083	1.2
173.06001	3.8
179.03381	3.3
182.08147	43.3
184.07661	1.6
187.12329	1.7
191.06985	2.0
194.08134	98.9
198.07571	2.6
198.09181	3.3
200.09259	7.5
201.10213	1.3
207.06825	1.2
211.41557	1.1
212.09187	100.0
215.11789	4.2
219.06558	6.0
227.08138	2.4
228.10275	1.8
229.09755	2.9
237.07574	3.5
243.11287	7.5
253.09840	1.7
257.09225	1.6
266.08875	2.3
267.09039	6.4
271.10773	15.8
299.10269	5.3
317.11359	9.1
331.13287	1.5
335.12317	3.4
349.13660	1.3
363.15543	11.8
381.16415	1.7
399.12909	2.7
403.50546	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	14.5
56.96566	12.0
57.03431	1.3
58.99874	1.6
61.01147	5.1
61.02921	1.2
69.03423	13.8
70.06589	5.4
70.08486	3.9
70.08872	2.4
71.95264	1.6
72.08146	1.6
73.02903	2.7
74.02443	5.1
74.06081	4.6
75.02712	3.1
81.03426	2.9
84.04519	1.9
84.08144	3.3
84.96036	2.6
85.02904	16.1
91.03949	1.5
97.02895	83.8
98.96939	2.2
98.97588	37.0
101.00893	8.9
102.05546	30.7
102.96890	1.6
109.02898	2.8
110.97575	10.0
112.99132	2.0
113.00880	1.9
115.02431	2.2
116.98618	13.1
118.68202	1.4
119.01922	17.8
119.04944	1.9
122.07137	2.4
127.03915	4.0
128.98592	8.8
131.00197	1.6
131.01910	5.0
133.03461	4.4
134.99663	2.8
136.06190	100.0
137.05879	1.5
140.02373	1.3
143.00179	3.3
143.01897	2.9
144.99855	1.5
145.03381	5.3
145.05003	1.3
146.99673	4.2
153.01840	16.0
155.01929	3.7
157.03529	3.7
158.99654	14.2
159.49142	1.2
161.01225	4.0
161.02962	4.2
162.07845	1.3
163.04126	1.5
165.00700	1.1
168.99864	2.8
169.01842	1.3
170.99660	5.1
171.01183	1.3
173.02965	5.9
177.00719	7.0
181.03561	1.6
183.01439	1.5
183.05074	1.6
185.03008	4.2
187.00908	3.2
187.02679	1.6
187.04573	2.2
189.00714	4.4
189.02333	1.6
195.05026	2.6
196.99345	1.7
197.02921	7.9
199.00980	1.5
199.04640	2.9
201.00787	3.4
203.04013	2.5
209.03011	2.4
211.00912	13.7
211.04485	2.4
213.00688	4.2
213.02527	7.4
215.00430	4.2
217.01999	1.7
219.01733	16.8
219.05122	1.6
221.03020	2.2
221.05022	2.6
223.01059	2.3
228.05751	4.8
229.02002	8.6
231.01746	3.5
235.00995	2.1
235.04626	1.7
237.02690	17.3
237.06305	2.2
237.08743	2.6
238.09375	4.7
244.99648	1.6
245.05063	2.6
247.02922	11.1
249.02745	7.4
249.06134	2.0
250.09364	82.0
251.04143	2.4
252.07219	1.4
253.01900	2.7
255.03592	10.6
261.02637	2.0
263.00693	1.2
263.04022	2.1
264.09048	3.1
267.03616	3.6
271.02951	7.6
274.97473	2.3
278.99921	1.9
279.03848	13.0
281.05026	2.4
285.11893	1.4
291.03793	1.9
292.98547	1.5
297.00931	3.1
297.04642	5.4
298.09714	13.4
301.04031	2.0
309.04767	1.7
315.01947	3.3
321.04712	2.7
321.08264	1.7
325.00360	1.7
329.03238	1.7
339.05771	24.0
339.09460	4.5
343.01535	3.9
357.06750	17.2
375.04044	3.8
393.08746	2.9
399.06674	6.5
399.12723	8.8
399.18640	3.4
399.23993	1.5
400.14615	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	399.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08331	9.3
56.05037	10.9
69.03429	12.5
69.78281	61.8
79.47292	10.4
82.54895	10.0
97.02880	76.0
98.97612	55.4
101.34029	11.5
102.05533	30.0
114.97540	10.2
133.59143	11.1
136.06186	100.0
145.72180	10.6
158.99716	34.8
170.99608	19.9
195.05067	13.1
219.01796	14.7
249.02733	15.3
250.09369	78.4
294.05811	12.7
298.09656	14.0
339.09265	29.4
399.06839	36.4
399.11819	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	399.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
56.05019	3.8
56.96568	30.4
57.03428	2.8
61.02927	2.6
66.68587	1.8
67.05511	2.1
69.03432	17.5
69.89369	3.5
69.89787	5.8
70.06572	3.2
73.02926	5.0
74.06087	2.5
79.01859	4.1
81.03424	7.4
84.96047	9.7
85.02911	32.1
87.04466	3.5
97.02895	31.8
98.97589	93.0
101.00875	15.8
102.05547	5.9
107.04985	1.9
109.02880	6.6
110.97569	20.8
112.99146	3.4
113.00900	6.2
115.02363	2.0
116.98628	27.7
119.01914	23.3
124.99123	4.9
125.33302	1.7
127.02433	4.4
127.03937	8.4
128.98610	16.6
131.00177	4.2
131.01932	13.3
134.99658	7.0
136.06184	26.9
140.98579	2.3
143.00166	16.0
143.01900	6.5
143.03450	3.5
144.98119	2.5
145.03468	8.7
145.04926	3.3
146.99678	4.8
153.01845	46.7
153.02922	2.9
154.02139	2.9
155.01859	9.7
157.03500	6.6
158.99678	17.8
161.01247	14.7
161.02957	8.4
161.04741	2.2
165.04007	3.9
167.01907	3.0
168.06590	1.7
169.03412	2.8
170.99693	8.5
173.02972	7.5
176.98598	3.2
177.00763	13.1
179.02032	4.3
181.03497	5.4
182.99646	5.1
183.05080	3.1
185.03004	8.1
187.04541	4.2
189.00740	5.2
191.02029	2.3
193.03432	2.9
194.99658	14.2
195.01433	4.8
197.02933	20.0
199.04442	4.3
201.00748	8.6
201.94052	1.7
203.04086	2.7
205.03467	2.8
207.01616	2.2
207.05049	2.7
208.97705	3.2
209.02957	7.2
211.04602	6.0
213.00697	33.6
213.02504	23.9
215.04036	2.4
218.99928	1.8
219.01740	41.6
221.02927	6.0
221.04993	2.8
223.00903	5.7
223.04568	6.5
226.98653	3.6
227.04048	2.1
231.01599	15.7
231.03416	3.0
233.02939	3.5
235.04489	6.1
237.02615	59.0
239.04041	4.3
241.00093	2.9
244.99577	2.5
245.05135	3.6
247.04520	3.3
249.02493	15.9
250.09340	20.6
251.04036	6.0
253.05399	2.8
255.03590	42.5
259.01044	1.8
261.02621	5.8
263.00714	2.8
263.04044	9.6
265.02423	2.1
265.05606	3.6
267.03879	13.8
273.02579	3.3
276.05078	10.9
276.07465	1.9
279.01440	1.7
279.03693	18.7
281.05197	13.9
287.00845	4.3
291.03540	8.3
297.04654	18.3
298.09790	3.1
303.07574	3.7
318.07819	5.3
321.04361	5.2
321.08255	2.9
339.05722	100.0
340.06042	4.3
357.06781	77.1
358.06937	4.8
371.02902	2.1
375.07068	6.0
380.07819	2.2
393.08716	8.3
399.06674	33.1
399.12494	5.4
413.04099	2.4
417.07666	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	398.9766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57829	0.2
56.96567	7.7
57.31814	0.3
57.45655	0.2
57.52298	0.3
64.52370	0.2
69.54717	0.6
69.55125	1.5
71.95263	2.3
72.59663	0.2
98.97585	93.4
116.98624	36.5
117.21574	0.3
122.30363	0.3
130.93330	0.6
134.99664	7.6
140.00206	0.7
152.02708	0.3
154.93317	0.4
172.94362	4.6
174.97479	0.4
190.95369	2.5
197.95300	0.4
205.39923	0.3
208.96489	0.5
214.95396	2.9
219.02148	0.4
230.37149	0.3
232.94354	0.5
232.96489	6.5
250.97478	2.1
256.96457	18.7
258.99796	2.7
261.03076	0.7
274.97510	100.0
275.97855	0.9
277.00781	2.6
283.00015	0.5
284.99774	0.5
292.98563	42.0
297.99039	1.9
298.97711	0.5
301.01120	0.4
303.00867	0.6
310.18787	0.3
316.00171	0.9
316.98871	0.8
355.27606	0.3
374.99188	0.3
398.97534	1.8
416.98605	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	399.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	43.2
57.03444	1.3
69.03407	4.5
69.83874	1.5
69.84281	4.6
71.95265	1.9
74.70496	1.1
81.03403	2.1
84.96037	13.3
85.02924	7.9
97.02904	8.9
97.96777	1.3
98.97591	100.0
101.00872	1.8
102.05543	1.5
104.18879	1.1
109.02885	1.6
110.96847	1.7
110.97575	28.9
112.99129	6.4
113.00806	1.3
113.75457	1.1
116.97837	1.9
116.98624	27.9
119.01895	4.9
124.99121	5.3
126.97025	2.8
127.03902	1.5
128.98611	16.6
131.00143	2.6
131.01884	1.8
133.83229	1.1
134.99648	2.8
136.06165	6.1
136.99106	1.4
140.98558	4.2
143.00165	20.8
143.03403	1.4
144.98056	3.4
146.99615	3.8
149.01245	1.4
151.00661	2.0
152.98549	2.5
153.01837	11.0
155.01880	2.9
158.99666	12.1
161.01263	17.1
161.02682	2.2
161.04556	1.9
165.03990	1.2
169.01688	2.2
170.99678	5.6
176.98607	4.1
177.00717	8.7
179.02272	1.9
181.98827	1.2
182.99695	5.4
185.02997	1.9
189.00676	3.9
194.99675	22.1
195.01460	2.8
197.03036	5.4
201.00681	12.4
213.00710	47.2
213.02457	4.5
219.01772	46.7
231.01749	16.1
237.02759	44.8
247.04611	1.2
249.02591	6.6
250.09341	4.7
251.04208	1.4
255.01505	4.3
255.03951	8.6
261.02637	4.9
263.03922	2.5
267.03534	3.2
273.00464	1.5
279.01260	2.0
279.03882	2.9
281.03043	1.7
291.01422	5.8
297.04312	4.2
299.04321	2.3
303.07516	1.5
309.02661	1.3
309.07489	2.1
318.07751	3.8
321.02863	3.5
339.05087	16.5
357.05215	19.9
375.06042	2.6
379.56433	1.1
380.06757	1.4
399.05927	37.0
417.06995	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	398.1498
Annotation	2-Methylthioribosyl-trans-zeatin
Peak:m/z	Relative Intensity
51.08553	0.5
52.30143	0.5
55.01877	1.0
57.03426	1.8
59.04995	1.0
61.02929	0.7
67.05497	1.5
69.03421	1.2
69.67933	2.3
71.01350	0.9
82.64366	0.4
83.37663	0.5
85.02898	1.5
85.06571	0.4
87.00853	1.0
97.02901	0.9
104.92932	0.5
105.07072	0.6
109.05125	0.7
113.67561	0.5
127.03945	0.9
134.04645	9.4
135.02986	0.7
139.39372	0.4
140.02823	0.7
143.35176	0.5
146.18338	0.4
152.05739	2.1
165.02341	5.9
167.02663	0.6
173.05807	0.5
175.09804	0.8
181.05463	1.3
182.04985	100.0
183.05199	0.9
190.03131	0.7
194.05026	3.3
205.05492	2.0
216.04694	1.1
218.16321	0.6
219.07091	1.2
231.07001	6.6
248.09695	9.8
266.10739	80.6
267.11090	1.8
398.14969	31.2
399.06357	0.4
399.15417	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45376	1.4
54.52393	1.3
55.01878	7.5
57.03440	15.1
59.04989	2.1
61.02927	6.5
67.05545	1.5
68.63054	1.4
69.03437	16.0
69.07073	23.1
69.48019	7.1
69.48432	3.5
70.06585	3.0
71.01334	2.2
71.04996	2.6
73.02925	14.3
74.17218	1.4
78.77980	1.5
79.05483	1.9
81.03412	5.2
81.07043	2.6
84.08141	1.4
85.02909	64.2
87.04465	4.0
91.03949	3.1
95.04963	1.6
95.08620	2.3
97.02890	21.9
97.06541	1.9
99.04473	3.4
103.03975	2.2
105.64417	1.4
107.04964	2.9
107.08576	2.4
109.02887	5.2
111.08099	3.4
113.02396	4.9
114.05593	1.6
115.03953	7.5
123.08045	2.9
127.03922	18.2
131.04907	1.6
133.04974	18.4
135.34917	1.6
136.06189	15.2
137.04684	3.1
138.05547	1.9
145.04973	36.6
145.06471	5.5
150.07657	2.2
152.07069	23.4
153.01852	2.5
161.04550	1.8
162.07755	34.5
162.62347	1.3
163.06036	20.5
166.08647	6.4
173.06007	7.5
177.05482	2.6
178.07225	1.8
179.03346	3.5
181.01381	1.8
182.08122	12.9
183.10146	2.6
188.05693	33.0
191.07048	3.1
194.08144	26.9
195.10255	1.9
199.72398	1.5
200.09236	1.7
206.06767	19.4
212.09222	21.7
219.06587	8.5
220.08331	6.5
236.09204	1.8
237.07613	3.2
242.83607	1.6
243.11517	2.4
248.07617	3.3
259.08191	2.3
266.08853	100.0
267.09186	1.9
271.10764	4.0
295.10361	1.6
299.10062	1.7
363.15237	2.6
398.13129	22.1
399.20407	1.6
402.72031	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	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55713	5.5
53.03952	6.4
57.03436	20.9
61.02908	11.2
67.05537	5.7
69.03429	78.3
69.07077	39.9
70.06596	14.9
71.42658	11.9
73.02917	10.9
81.03431	10.9
85.02915	87.4
86.09644	7.5
87.04469	40.4
91.05470	11.6
93.07035	8.0
97.02902	67.8
99.04460	7.4
109.02856	6.0
110.07132	7.5
111.08076	17.1
115.03948	87.0
127.03913	27.8
133.04959	100.0
145.04968	21.4
147.04398	11.3
150.07588	7.7
152.07054	14.2
163.06013	14.1
194.08142	16.7
201.11320	7.9
212.09254	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	397.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.05271	1.4
55.05518	15.2
57.07083	23.5
59.00523	1.3
64.69756	1.4
64.84762	1.4
65.16499	1.2
67.05511	37.4
69.06734	2.1
69.07076	34.6
70.90420	3.7
71.08641	22.0
75.93681	1.3
79.05071	1.9
79.05502	23.1
81.07066	60.4
83.08621	20.3
85.10191	14.4
87.83979	1.5
91.05486	20.9
93.07053	32.7
95.08616	64.2
95.98277	1.2
97.10181	14.2
99.11729	1.6
102.64057	1.4
105.07046	40.9
107.07880	2.3
107.08608	31.6
109.10170	52.5
111.11752	9.3
117.07006	3.6
119.08588	29.0
121.10162	22.3
123.11727	15.7
125.13309	3.3
131.08565	6.3
133.10149	29.6
135.11705	42.3
137.13239	6.3
145.10165	9.1
147.11707	70.6
149.13281	18.9
151.14821	4.5
159.11717	7.7
161.13281	52.7
161.14633	3.1
163.14807	7.9
165.16432	4.6
173.13293	3.0
175.14842	23.7
177.16455	5.1
179.17876	1.7
187.14793	4.6
189.16373	12.3
191.18172	1.3
201.16414	7.5
203.17917	12.2
215.17992	9.8
217.19495	3.7
221.22632	1.5
229.19557	5.9
233.22583	1.6
243.21144	8.6
247.24297	1.8
257.22644	7.0
261.25809	5.1
273.25769	1.6
275.27332	3.9
285.25748	2.1
287.27423	5.2
299.27310	2.5
301.29117	3.2
315.30478	4.7
397.38345	100.0
398.38568	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	398.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
57.03441	2.9
61.02918	0.7
68.39137	0.4
69.03415	1.5
69.07072	2.2
69.39743	3.3
70.02968	0.4
71.01353	1.0
73.02910	1.1
82.15420	0.3
83.54582	0.4
84.08138	0.4
85.02525	0.4
85.02922	4.9
86.02036	0.4
97.02885	1.8
110.07143	0.5
113.02377	4.0
115.03938	1.1
119.03552	0.6
126.68913	0.4
127.03883	1.6
133.04958	1.3
135.06665	1.7
136.05165	0.6
136.06194	12.8
137.04637	0.6
145.04939	1.4
146.04576	0.8
150.07719	0.6
152.07079	1.0
155.05646	0.5
160.06186	1.5
161.04585	1.9
162.07761	30.1
163.06091	0.7
166.08594	0.4
178.07219	1.8
182.08170	0.4
188.05690	32.0
194.08098	1.3
206.06752	20.6
206.08733	0.8
212.09175	0.9
216.05180	0.9
220.08286	6.2
248.07806	4.1
266.08853	100.0
267.09171	1.3
398.13083	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	397.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.7
57.03429	3.7
64.70610	1.3
67.05495	5.5
67.41624	1.5
69.03416	4.5
69.07066	1.9
70.06566	2.3
71.07028	1.8
71.07376	2.5
79.05500	3.9
80.05018	9.1
81.03412	3.1
81.07048	5.6
83.04980	4.0
85.02909	3.8
91.05479	9.7
93.07043	6.2
95.04986	3.1
95.08596	5.0
96.86334	1.4
97.06516	3.0
98.06051	2.2
103.05466	1.5
105.07018	6.2
107.08578	4.5
108.08122	6.4
109.02950	1.6
109.10172	4.0
110.09688	17.1
111.08150	1.9
114.05542	1.5
115.05418	2.4
117.07032	4.3
118.06551	37.1
119.04910	1.8
119.08594	7.1
121.02873	3.0
121.06538	1.9
121.10149	2.6
123.04470	1.5
127.03957	3.5
129.07036	2.7
130.06535	6.4
131.08525	1.7
133.06488	2.7
133.10124	5.4
135.08145	2.4
135.11746	1.9
137.05989	23.9
137.08328	7.6
137.09456	1.7
138.05518	11.3
139.06303	2.3
141.06989	1.9
142.06593	1.8
142.07738	2.1
143.07355	2.4
143.08461	2.3
144.08087	19.8
146.06021	83.2
147.06241	1.4
147.08044	2.2
147.11726	2.8
149.06009	2.1
149.09634	1.9
151.07512	4.5
157.10155	2.5
159.08118	1.6
159.11710	2.0
160.07535	3.2
161.06001	4.7
161.09572	3.0
166.08606	1.6
166.12300	64.5
167.08611	1.9
170.06049	7.0
171.08134	2.2
175.11154	1.7
184.11179	3.9
185.09683	1.8
187.07642	2.1
188.07074	49.6
189.12688	1.8
191.06967	1.7
197.09636	2.5
198.06810	5.3
199.07608	3.7
210.06920	1.6
210.14908	100.0
211.15317	2.1
213.09143	6.8
215.08525	1.9
215.10576	1.8
217.15875	4.4
224.08182	1.3
224.12833	3.6
225.09064	3.2
231.08099	2.0
235.16951	1.8
236.16306	1.6
243.10170	3.4
245.11729	1.8
250.14423	4.5
254.10756	1.5
255.10193	2.1
268.15411	13.1
271.13721	1.7
273.09079	1.4
273.11301	13.8
291.10153	2.5
307.09683	3.1
308.10501	2.2
317.11539	1.7
325.07043	2.1
333.11255	1.5
335.12894	3.2
336.13480	1.7
351.12204	2.3
353.18515	5.9
354.14673	5.4
379.15274	3.5
392.66211	1.6
397.08853	2.6
397.17194	24.9
397.21149	58.8
398.21799	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	395.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.9
57.07082	19.5
63.02391	1.5
67.05518	26.9
69.07073	27.8
71.08642	17.8
71.43236	1.8
71.43561	2.4
72.63808	2.1
76.98014	1.6
79.05495	16.8
81.07063	58.9
83.08624	17.5
85.10194	11.5
91.05487	20.4
93.07053	19.2
95.08618	39.1
97.10188	12.0
105.07037	40.3
105.07701	3.5
107.08601	19.4
109.10160	21.0
111.11726	7.2
115.05431	2.3
117.07023	16.3
119.08601	17.7
121.10156	11.4
123.11749	10.8
125.13303	2.8
128.06271	2.3
129.07004	6.1
130.07790	3.1
131.08591	20.5
131.54802	1.6
133.10141	30.8
135.11688	7.8
137.04091	1.7
137.13281	3.5
143.08633	7.9
145.10136	60.5
147.11702	25.7
149.13272	5.1
157.10143	10.0
159.11710	41.8
161.13269	9.3
165.16362	2.3
171.11690	5.2
173.13300	11.8
173.22298	1.8
174.60222	1.6
175.14883	3.1
177.16469	2.2
185.13284	5.9
185.72148	1.6
187.14876	4.1
199.14874	6.4
201.09116	3.3
201.16399	4.6
213.16441	7.3
227.18025	4.5
235.24168	1.7
241.19534	7.4
247.24168	3.3
255.21120	5.4
275.27451	2.4
297.25870	2.5
301.28949	3.2
329.32291	2.9
391.57126	2.1
395.36792	100.0
396.37131	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	396.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30381	3.7
56.96572	51.1
57.03444	7.3
57.21319	3.9
58.99802	4.2
61.02933	9.2
62.61320	4.1
69.03423	22.1
69.18052	19.2
69.18472	24.5
70.06590	4.8
72.08188	4.8
74.63898	4.7
78.96388	4.0
81.03420	8.1
84.96039	14.1
85.02919	43.8
87.04456	4.3
93.55957	3.8
95.76287	3.8
97.02892	20.7
98.97591	100.0
107.04977	6.4
109.02896	6.5
110.97583	23.9
112.07647	9.1
112.99152	11.2
116.98608	29.9
126.10161	4.5
127.03928	11.0
128.98615	17.1
130.08629	6.4
131.00166	8.4
134.99687	7.2
143.00188	9.8
143.03421	6.5
144.98163	5.8
145.04967	5.4
146.99689	8.5
147.04414	5.2
152.98621	9.8
153.01852	65.5
153.02989	8.3
156.03441	4.8
158.99701	16.1
161.01277	15.7
167.00142	6.9
170.99664	11.1
177.00679	9.7
179.02298	6.8
185.01341	5.6
186.04445	17.3
190.10872	10.5
198.99226	5.4
201.00740	11.9
203.02278	4.6
204.05479	6.6
206.37115	4.3
210.99216	12.3
213.00731	9.1
219.01772	28.3
229.00261	35.7
234.13568	9.2
237.02858	31.2
238.04089	6.2
247.04617	8.3
266.01007	9.6
267.01404	7.0
271.01404	7.7
277.00031	7.3
284.01990	6.4
285.02298	7.9
295.01312	5.3
297.02875	4.6
323.06641	6.7
337.02167	7.1
341.02103	4.5
355.03305	28.3
373.04431	52.0
373.08908	6.1
396.12387	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	395.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81469	3.3
55.05523	22.2
57.07085	30.6
67.05510	40.1
69.07082	40.1
71.08636	21.9
71.08965	3.7
72.58202	3.3
79.05490	24.9
81.07062	84.7
83.08623	16.1
85.10182	14.0
91.05481	39.3
91.21821	3.8
93.07056	31.2
93.49927	3.8
95.08618	62.8
97.10167	8.1
98.20733	9.9
105.04580	3.9
105.07048	46.7
107.08613	29.5
109.10187	25.9
111.11720	9.8
117.07021	24.8
119.08575	20.8
121.10122	12.3
123.11691	13.3
129.07069	7.4
130.07776	3.6
131.08565	36.7
133.10143	42.5
135.11697	8.5
137.13225	4.2
141.02298	3.5
143.08578	9.8
145.10133	81.1
146.55598	3.8
147.11705	37.2
149.13225	7.6
151.07565	4.5
157.10138	17.1
159.11703	58.7
161.13248	11.6
162.97157	3.7
163.14792	8.8
171.11678	9.3
173.13287	19.7
181.84264	3.6
185.13245	8.7
187.14792	8.5
199.14832	9.9
210.05220	3.5
213.16388	10.4
215.11763	4.1
241.19522	6.5
255.21127	7.4
395.36743	100.0
396.36960	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	395.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.2
55.05512	15.0
57.07078	21.0
59.50971	1.4
65.03938	2.3
65.65861	1.3
67.05504	29.3
69.07072	32.2
71.08632	19.6
71.52078	1.7
79.05499	17.9
79.08051	1.5
81.07057	69.5
83.08620	16.7
85.10184	11.3
86.98346	1.4
91.05483	25.1
93.07049	20.3
95.08605	43.4
97.10165	12.8
103.28425	1.3
105.07032	45.0
107.08594	23.7
109.10159	24.1
111.11748	8.0
115.05427	1.8
117.07021	18.5
119.08598	19.5
121.10137	11.0
123.11713	10.5
125.13264	3.5
129.07008	5.6
130.07813	3.9
131.08568	24.2
133.10135	40.5
133.11116	3.0
135.11664	7.3
137.13245	5.4
142.07828	2.9
143.08591	7.5
144.09273	3.6
145.10129	67.6
147.11696	29.2
149.13272	4.3
149.50235	1.6
151.14822	2.4
157.10124	12.9
159.11702	48.4
161.13251	11.6
163.14825	3.8
165.16386	1.9
171.11743	3.7
173.13266	15.6
175.14818	4.0
177.16420	2.0
185.13257	5.9
187.14845	5.1
199.14838	8.8
201.16414	5.2
213.16391	7.2
215.17937	2.5
227.17981	4.0
241.19539	5.4
247.24231	3.1
255.21085	4.5
287.27444	1.7
289.28717	1.8
297.26117	1.9
301.28680	1.6
395.36734	100.0
395.59967	1.4
396.37125	4.0
396.41940	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.05518	32.6
57.07084	21.8
67.05508	17.2
69.07073	34.1
69.17519	21.5
71.08631	11.6
79.05499	13.8
81.06589	3.4
81.07062	56.8
83.08626	88.6
85.10173	3.3
89.06064	1.9
91.05511	9.7
93.07050	15.8
95.08617	22.6
97.10161	13.7
105.07040	15.5
107.08611	17.4
109.10167	14.3
111.11729	2.0
117.07041	4.4
119.08582	9.7
121.10182	9.2
122.64479	2.1
123.11735	5.8
129.06993	4.1
131.08572	9.7
133.10146	14.0
135.11702	5.6
137.13264	2.3
141.06943	2.1
142.07800	4.9
143.08575	8.6
145.10168	16.5
147.11729	9.7
149.13261	3.9
157.10121	22.2
159.11746	13.7
161.13275	6.0
163.14825	2.8
171.11719	8.8
173.13290	5.6
177.16368	2.7
183.11740	5.0
185.13277	8.5
187.14883	3.6
189.16408	3.1
197.13290	3.8
199.14865	5.8
201.16365	4.2
211.14842	5.0
213.16461	3.7
215.18005	5.1
225.16452	4.5
226.15950	1.8
227.17877	3.3
229.19687	2.9
239.17952	9.0
253.19553	11.2
267.21182	2.1
295.24219	19.5
309.25812	8.9
393.35184	100.0
394.35507	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	395.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41481	0.7
56.32609	0.6
58.55829	0.6
65.03203	0.6
66.05517	0.7
69.03426	0.8
70.06571	0.9
71.51510	1.1
84.08144	0.8
85.02895	1.3
91.05494	1.2
105.07018	1.1
130.05040	0.7
151.08859	0.7
162.05415	0.7
185.04228	5.2
217.04794	1.6
232.07065	11.7
233.07800	11.9
233.09686	0.8
246.24840	0.7
274.01236	0.7
332.03015	0.6
364.11349	2.6
365.11911	0.8
395.13165	100.0
396.13434	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	392.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80148	1.0
55.87039	0.8
61.02921	1.4
61.41330	0.9
63.34640	0.8
69.03419	3.0
69.84795	2.9
69.85207	2.1
70.06573	2.2
79.05499	4.0
81.03457	1.2
85.02921	9.7
91.05511	2.3
92.05037	1.7
95.04996	1.2
97.02885	2.4
103.05458	3.5
105.07052	3.0
107.04970	38.5
109.02864	1.5
110.06044	11.4
112.67734	1.0
115.05457	1.2
117.07044	1.1
120.05705	1.1
120.08124	1.9
121.02872	5.4
121.08449	1.2
123.04433	2.9
127.03926	2.2
131.45189	1.0
135.08093	11.0
137.05981	3.2
145.04971	1.3
149.05951	1.6
151.15587	1.0
152.04684	1.3
154.06186	1.8
159.09215	1.3
160.44261	1.0
163.07549	30.3
167.07059	80.0
168.07356	1.0
180.07835	1.7
185.07086	3.7
193.08742	1.5
195.10214	24.9
213.11244	100.0
214.11600	1.8
231.07687	5.4
274.41623	0.9
299.53900	1.1
375.11322	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.05509	5.3
61.02914	3.0
67.05492	3.6
69.03425	4.9
69.07069	7.3
69.35535	3.6
69.35941	18.2
71.05004	3.2
79.05484	7.8
81.07056	19.2
83.08623	6.2
85.02895	13.7
85.06552	100.0
86.09714	5.0
91.05474	3.9
91.54840	2.6
93.07043	15.5
93.80123	2.5
95.08610	4.2
97.02884	3.0
97.06535	25.9
105.07056	4.8
107.08604	13.8
119.08606	5.5
120.08121	3.3
121.09338	3.8
121.10160	50.4
127.03940	3.2
133.10103	3.4
145.04980	3.1
149.13269	24.4
159.11707	11.0
165.12735	3.3
167.14325	10.5
177.12794	25.9
180.34937	2.3
195.13815	63.6
213.14856	25.4
253.53058	3.0
379.66821	3.0
393.18854	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	393.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46082	0.5
54.56054	0.5
55.05490	0.6
67.05473	1.2
68.05019	1.4
69.03408	0.7
69.07058	0.7
70.06578	0.9
71.00250	0.8
71.00594	0.6
71.77273	0.5
76.38768	0.6
79.05482	0.9
81.03410	0.8
81.07035	1.8
84.63879	0.5
85.02893	0.7
85.06557	1.1
89.98308	0.5
91.05477	1.1
93.07017	0.9
95.08613	1.0
105.07031	1.3
107.08539	0.9
109.06460	1.0
109.10121	0.6
119.04931	0.7
119.08550	0.7
121.02870	0.6
121.06502	0.5
124.05042	1.1
127.03949	0.8
130.04955	0.6
135.07973	0.6
137.06018	1.6
147.11636	0.6
153.09853	0.5
166.07318	0.9
172.06125	0.9
179.34808	0.5
189.06448	1.1
201.06508	2.2
202.07272	2.2
203.08054	1.9
204.08861	6.2
215.08000	2.3
216.08823	100.0
217.09454	2.7
217.11731	0.5
218.10370	6.1
225.06483	10.9
226.05411	0.6
226.07245	3.6
227.08086	1.0
228.08833	1.1
229.09564	1.1
230.10362	9.3
240.08815	58.6
241.09419	2.6
246.09837	6.5
246.11978	0.9
258.07523	0.6
258.09760	2.8
268.08310	5.5
272.11420	3.3
283.09436	1.9
300.10938	54.3
301.11227	1.1
311.08917	0.8
315.12039	0.9
333.13077	3.2
343.11627	2.8
361.12619	5.7
375.14221	4.9
382.08466	0.6
393.15231	25.0
406.97473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.7
55.01870	5.3
55.05499	16.5
57.03436	4.7
57.07053	13.2
67.05201	2.8
67.05515	39.1
68.69751	3.4
69.03434	6.4
69.07069	26.4
69.91554	11.5
69.91958	9.3
74.07957	3.6
79.05496	48.6
79.97913	3.2
81.07059	61.4
83.04974	4.1
83.08615	12.0
83.34840	3.2
91.05482	51.3
93.07046	80.4
95.04974	58.0
95.08606	55.4
97.06520	13.2
98.20792	4.2
105.04491	4.3
105.07039	93.3
107.04950	5.0
107.08601	58.3
109.06551	18.5
109.10157	28.8
115.05477	5.4
117.07012	22.7
119.08589	100.0
121.06506	22.0
121.10153	43.5
123.08075	6.1
123.11703	13.6
128.06226	7.7
129.06996	16.2
130.07797	10.4
131.08572	45.8
133.07657	3.7
133.10130	52.8
135.08002	5.9
135.11723	22.1
141.06949	4.4
142.07762	19.3
143.08571	43.4
144.09328	12.3
145.10135	71.2
147.08043	6.9
147.11655	26.9
149.09564	5.4
154.07797	4.5
155.01038	4.6
155.08574	14.3
156.09378	12.1
157.10144	55.1
158.10887	5.7
159.08049	7.9
159.11702	49.6
161.09599	17.6
161.13196	7.8
167.08542	8.4
168.09274	7.0
169.10126	19.2
170.10947	8.1
171.11687	25.2
173.09673	6.0
173.13280	25.5
175.11185	11.8
175.14832	16.8
179.08521	6.1
181.10115	8.1
182.10942	4.5
183.11728	21.0
185.13306	11.5
187.11188	9.1
187.14795	8.9
191.14235	4.2
193.10143	10.0
195.11687	11.4
197.13197	17.3
199.11176	4.4
199.14734	8.6
201.16403	10.4
201.81885	3.9
207.11801	5.4
209.13245	17.4
211.14787	9.2
213.16348	5.4
217.63078	4.1
221.13237	6.4
223.14801	5.8
225.16473	6.0
253.15997	5.5
300.66357	3.8
304.26431	4.6
375.26608	4.7
393.27802	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	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10386	2.4
53.03946	3.5
55.01846	3.2
55.05519	13.4
57.07079	5.9
60.08163	6.5
67.05503	14.6
69.03417	6.3
69.07068	9.6
70.21524	9.1
70.21872	4.1
71.07402	4.3
79.05495	24.8
81.03444	8.4
81.07063	34.1
83.08636	3.8
85.06549	5.1
86.09713	20.4
91.05476	29.8
93.07050	31.3
93.09172	2.6
95.04973	38.8
95.08621	16.9
97.06551	4.7
97.10154	3.6
104.75189	2.9
105.07042	42.0
107.08592	20.1
109.06541	11.7
109.10168	10.1
113.62778	2.5
115.05479	3.7
117.07036	11.3
119.08586	37.4
121.06532	11.4
121.10129	16.0
123.08102	5.7
124.99986	16.0
128.06265	9.1
129.06992	13.7
130.07816	6.5
131.08577	19.8
133.06467	2.6
133.10114	16.0
135.08093	10.6
135.11749	3.6
141.06949	5.4
142.07756	14.8
143.08575	22.6
145.10143	29.7
147.08096	8.1
147.11676	6.8
149.02380	18.7
149.09621	3.4
153.07024	4.1
154.07668	2.7
155.08612	10.7
156.09402	10.8
157.10144	28.6
158.07222	2.4
159.08087	7.8
159.11732	16.8
161.09651	6.2
161.13374	3.3
165.07059	6.7
166.07816	2.9
167.08649	6.5
167.10709	4.2
169.10179	15.8
170.10992	3.4
171.11696	15.0
173.09698	6.5
173.13281	11.4
175.11224	4.2
175.14891	4.3
179.08583	9.4
179.14311	2.9
180.09377	6.2
181.10170	11.6
182.10948	5.0
183.11702	17.7
184.07352	51.6
184.12560	3.1
185.07794	2.6
185.09708	3.2
185.13309	10.1
192.09297	4.7
193.10138	12.8
194.10928	7.9
195.11757	15.1
196.12541	4.8
197.09566	3.2
197.13269	12.4
199.11192	5.9
201.12852	4.9
205.10179	3.8
206.10989	4.4
207.11644	15.7
208.12520	6.5
209.13211	18.7
211.11215	4.9
211.14941	9.0
213.12784	3.6
215.14380	4.3
217.10266	4.1
218.10880	4.7
219.11684	7.1
220.12497	4.3
221.13261	14.7
223.14883	8.4
225.12831	4.9
231.11865	4.8
233.13394	6.3
234.14134	3.0
235.14922	8.8
237.16516	7.4
245.13351	5.0
247.14960	6.5
248.15630	3.5
249.16472	7.7
251.14453	5.2
251.17923	4.1
259.14810	3.8
261.16370	4.0
263.18143	6.3
267.17493	3.3
273.16483	3.4
275.18076	5.4
279.17447	3.4
289.19498	3.8
291.17343	3.1
293.18961	3.4
297.18832	3.1
317.19003	4.3
331.26822	3.1
335.20151	7.0
355.24304	3.0
373.25281	18.6
391.26355	100.0
391.36252	5.5
392.26801	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	391.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
55.05509	12.3
57.07091	4.7
58.00599	2.3
67.05503	17.9
69.03444	5.8
69.07078	8.8
69.51179	17.8
71.04994	2.3
79.05498	29.1
81.07063	38.9
83.04971	3.1
85.06533	4.3
91.05479	32.8
93.07043	36.9
95.04977	37.3
95.08623	20.1
97.06538	3.7
103.05534	4.1
105.07034	68.7
107.08604	26.4
109.06526	11.1
109.10195	8.3
115.05525	3.3
116.06282	2.8
117.06992	15.7
119.04977	2.4
119.08599	53.4
119.09380	4.5
121.06512	12.2
121.10148	18.5
123.08069	3.3
128.06258	10.3
129.07013	15.2
130.07845	5.2
131.08569	25.6
133.06546	4.2
133.10118	17.8
135.08081	5.5
135.11723	4.8
141.01468	2.6
141.07039	9.3
142.07777	14.6
143.08549	28.6
144.09343	4.6
145.06546	3.0
145.10124	46.2
145.11182	3.9
147.08066	6.8
147.11714	10.0
149.02373	9.9
149.09671	4.3
153.06995	5.6
154.07730	5.1
155.08548	17.7
156.09323	13.2
157.10149	37.5
158.10957	5.0
159.08034	4.7
159.11711	14.0
161.09660	10.5
161.13295	4.4
163.11212	2.9
165.07074	8.4
166.07872	4.0
167.08617	8.2
168.09360	5.5
169.10144	27.6
170.10909	4.0
171.11711	12.1
173.09665	7.0
173.13312	13.6
175.11270	3.6
179.08636	15.6
180.09389	6.6
181.10126	15.1
182.10962	7.4
183.11667	20.6
185.09622	6.4
185.13290	9.8
187.11156	4.6
187.14903	3.3
191.14349	7.0
192.09399	7.1
193.10138	13.9
194.10948	9.2
195.11723	20.0
196.12659	3.9
197.09673	4.0
197.13191	14.9
199.11264	5.8
199.14896	5.5
203.08614	3.1
205.10161	7.8
206.10973	4.8
207.11690	20.6
208.12524	7.8
209.13258	16.3
210.14128	2.9
211.11267	4.0
211.14844	5.7
212.11977	2.4
213.12738	4.3
215.14413	2.8
217.15883	3.2
218.11008	4.5
219.11774	8.7
220.12456	5.9
221.13283	16.7
223.14896	8.8
225.12898	4.5
225.16441	3.1
227.14192	5.1
231.11780	6.1
232.12511	4.5
233.13315	8.1
233.15424	3.7
234.14279	3.6
235.14932	10.7
237.12634	3.0
237.16510	6.9
241.15991	3.0
244.12476	2.8
245.13165	5.7
246.14284	4.2
247.14906	7.1
248.15703	2.7
249.16400	13.0
251.14368	3.4
251.18127	5.3
253.16228	2.5
253.19492	2.6
255.17842	2.6
258.14124	3.1
259.14905	4.4
261.16458	5.5
263.18036	6.7
265.19666	3.1
267.17572	4.3
270.14041	3.0
274.17145	2.7
275.18015	3.9
277.19595	3.2
279.17529	6.5
282.19785	5.8
285.29956	2.3
289.19620	5.1
291.17529	5.1
295.20782	3.1
297.18573	4.0
307.20593	4.2
315.21066	2.6
335.20291	5.9
355.24347	3.0
363.26797	4.0
373.25232	20.6
391.26352	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2172
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
53.48919	8.2
55.01876	8.7
55.05515	10.5
64.55180	7.3
69.03438	18.5
69.60306	7.1
70.02835	27.2
81.07075	11.8
93.07049	10.0
97.10173	11.6
99.08070	7.3
107.08607	19.7
113.68846	7.6
121.10164	18.9
124.88632	8.4
125.09656	56.1
135.08127	7.1
149.09656	62.9
151.11137	13.5
153.09135	9.8
173.13274	9.4
181.04991	8.9
189.67599	7.7
191.14325	32.6
209.15411	100.0
210.15625	8.1
280.37506	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	389.2172
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
56.20537	17.3
66.16042	15.7
67.05495	22.0
69.33910	17.6
69.90395	100.0
74.02469	18.5
81.07076	23.4
83.04961	20.3
85.02904	23.0
93.07025	31.9
95.08617	23.1
107.08589	56.0
109.10159	27.3
119.21466	16.1
121.06451	18.4
121.10162	44.9
121.78719	16.8
123.08082	19.8
127.03949	21.8
133.10170	27.3
135.08115	20.3
149.09619	57.7
149.13159	22.0
151.11226	28.0
163.14801	34.5
169.45271	17.6
191.14339	70.0
209.02885	17.9
209.15442	96.3
269.61804	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	389.2171
Annotation	Ascleposide E
Peak:m/z	Relative Intensity
54.62939	2.0
59.24145	2.0
61.02932	2.5
62.10795	2.0
67.05507	4.6
69.03448	4.9
69.07066	3.1
71.04994	32.1
71.35620	3.2
73.37550	1.9
79.05474	2.5
81.03420	4.6
81.07048	5.3
83.08625	2.5
85.02908	18.0
85.06544	9.0
87.02232	1.9
90.75465	2.0
91.12477	2.0
91.60960	2.2
93.07071	5.3
95.08612	5.6
96.54543	2.2
97.02889	4.2
99.04460	100.0
105.07047	6.1
107.08611	15.5
109.06509	4.6
109.10150	6.0
111.08070	2.5
113.09635	6.1
118.99612	2.2
121.10155	6.0
121.57867	1.9
123.08067	11.6
123.11720	9.2
125.09621	5.6
126.08176	2.1
133.10146	8.1
135.08000	2.1
139.11159	2.8
140.57948	2.0
147.11656	5.4
149.13263	8.5
151.11150	3.9
165.12732	3.1
167.10695	6.1
169.12236	8.8
173.13313	6.6
183.13809	35.0
191.14340	5.3
201.09427	2.3
209.15410	17.6
227.16432	70.2
234.17494	2.0
391.33734	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93924	1.7
51.55109	1.6
53.03915	1.9
55.01857	3.4
55.56433	1.5
57.03422	3.5
57.07075	1.6
63.48877	1.6
67.05504	2.5
69.03415	3.6
70.06598	4.2
71.50997	2.3
72.08157	2.3
79.05502	9.1
81.03395	4.1
81.07064	12.7
84.04504	14.1
85.02892	8.0
86.06069	2.3
86.09695	7.4
86.99049	1.7
91.05479	14.7
95.04943	2.5
97.02888	3.6
98.97571	2.7
103.05466	8.1
105.03374	3.9
105.07035	48.4
107.04969	10.0
109.06454	2.2
110.97484	1.7
114.05517	5.3
115.05439	11.3
116.01672	5.1
117.01991	2.7
117.45812	1.6
118.04140	5.9
119.04929	6.9
127.03944	2.9
130.04982	5.0
131.04912	3.0
132.05435	1.8
133.06499	56.5
138.05510	20.8
138.09146	2.4
141.10292	1.8
142.04936	4.2
143.06055	5.0
144.06546	5.9
147.04431	22.9
153.01836	2.0
154.02184	2.5
161.05986	100.0
162.02173	3.9
162.07622	6.5
177.05360	2.3
193.08612	61.1
194.05200	2.3
201.12358	7.1
210.11189	10.7
219.01772	2.7
227.12617	2.8
228.12637	5.1
236.16412	6.2
292.06805	3.7
327.07608	2.6
390.15161	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	390.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67073	1.1
53.42587	0.9
61.02932	1.7
63.83771	0.9
67.05516	1.0
69.03422	2.7
69.56045	2.6
69.56477	3.8
70.06590	2.0
73.02921	1.0
81.03429	1.3
81.07047	1.1
84.04501	0.9
85.02914	12.1
93.07038	1.1
97.02872	3.3
121.06497	7.0
123.04432	17.5
127.03970	1.7
133.06497	4.2
137.06044	1.5
145.04965	1.2
147.04419	14.1
147.08073	2.2
149.05994	52.5
165.09106	6.4
175.07571	11.1
193.08620	100.0
194.08910	1.3
211.09657	8.1
391.15875	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	3.4
70.14465	12.4
78.76289	2.8
79.05488	6.1
82.82283	2.9
84.04508	3.5
85.02915	11.1
91.05500	8.1
97.02875	6.0
98.21423	4.5
103.05479	9.0
105.07040	53.9
107.04956	7.9
115.05472	8.8
119.04942	7.2
133.06503	53.5
133.07457	4.3
137.05902	3.3
143.06053	7.1
161.06003	100.0
167.07004	3.8
193.08614	62.6
196.82912	3.2
210.11385	5.6
211.09734	14.8
228.12305	10.7
272.05984	3.2
390.17981	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	390.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
54.83529	1.2
55.01865	1.4
55.05508	3.2
57.03439	1.2
64.13530	1.2
68.99786	2.3
69.03419	3.3
70.06596	2.1
71.09097	2.9
73.02920	1.3
74.20837	1.1
77.20518	1.2
79.05492	4.6
81.03432	2.1
81.07050	3.4
82.44025	1.1
85.02900	9.0
86.09705	1.7
87.00850	2.0
91.05491	2.1
93.07074	1.6
95.24135	1.2
97.02900	3.5
105.01842	2.6
107.04964	72.7
109.02896	2.1
110.20330	1.3
111.04424	1.6
120.08141	1.8
121.06549	2.0
123.03577	2.6
123.04440	41.5
123.05347	2.5
123.08111	1.1
124.07626	1.8
127.03925	4.6
130.03044	1.2
133.06616	1.3
137.05972	2.3
145.04984	2.8
147.04393	1.4
147.08029	2.7
149.04791	3.0
149.05986	47.4
151.07483	1.4
165.09125	24.1
175.07547	4.8
193.08618	100.0
194.08810	2.1
211.07628	2.7
211.09659	56.1
214.89278	1.5
217.08531	1.8
228.12390	3.5
238.10677	2.1
340.09708	1.2
347.55750	1.1
357.38968	1.2
390.14011	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12423	0.9
55.05515	1.1
61.02927	1.6
69.03444	2.1
69.66988	5.3
81.03366	1.0
83.04960	1.1
85.02900	8.2
88.97638	0.9
91.05478	2.8
93.07050	3.1
97.02903	3.3
103.05496	3.7
104.85078	0.9
105.07050	2.4
107.08607	1.8
109.02889	0.9
119.08598	10.5
121.10148	3.3
123.04436	19.9
127.03943	1.6
131.04935	15.2
137.05945	1.1
145.04997	1.1
147.08060	4.1
147.11697	4.4
147.50514	1.0
149.05989	33.2
149.07140	1.9
165.12733	1.1
175.07530	2.6
175.11234	1.9
180.08566	1.1
181.05025	1.0
193.08618	100.0
193.12219	7.0
194.08963	1.4
211.09621	7.7
277.18704	0.9
277.22784	1.0
330.11374	1.1
390.12946	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.233
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
53.03939	9.5
53.90088	7.3
55.05519	13.6
67.05501	22.3
69.03425	12.1
69.07069	16.8
69.61896	13.3
69.62304	35.9
71.05011	12.6
79.05490	21.9
81.07065	31.4
83.04987	11.7
83.08649	11.3
84.08122	7.2
85.02898	17.2
85.06526	11.0
86.09687	9.2
91.05497	21.8
93.07042	39.7
94.06593	9.6
95.05000	13.4
95.08620	55.5
96.08107	16.3
97.06522	14.2
105.06998	18.7
107.08613	26.4
107.49787	8.3
108.08170	9.5
109.06498	14.0
109.10165	41.4
110.09691	12.3
111.08078	10.3
119.08598	58.3
120.08128	100.0
123.04440	21.7
123.08073	8.0
123.11772	17.0
125.09627	12.8
130.06544	25.6
133.10162	22.9
135.11697	34.7
137.09648	18.1
138.09132	57.0
149.02348	50.4
149.13298	16.3
157.07626	15.1
163.07532	8.8
174.09222	23.0
175.14845	55.9
192.10207	8.5
193.15935	53.4
211.16951	59.9
244.55392	9.0
256.71252	8.3
289.09860	7.6
313.11780	18.8
331.12921	10.4
341.10944	19.6
345.14496	33.0
359.12357	8.4
363.15479	24.8
373.14212	17.4
373.18930	12.6
374.12320	33.3
381.53467	8.7
391.14780	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	2.7
63.82191	2.4
64.60152	2.1
70.06594	3.1
85.02889	7.2
90.44130	2.4
91.05460	2.2
94.72639	2.1
98.97606	2.9
99.11687	2.4
123.00632	2.3
147.04414	100.0
149.05977	2.2
167.07060	4.8
168.07416	3.2
191.07025	42.9
209.08043	6.8
326.03027	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	388.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05535	5.5
56.19494	4.0
58.06596	3.6
67.05476	7.6
69.03439	4.6
69.07072	6.8
70.76206	9.6
70.76563	6.2
79.05489	6.8
81.07089	10.1
85.02914	10.0
91.05511	7.3
93.07043	8.1
95.04957	8.2
95.08606	6.7
105.07037	15.3
107.08604	11.6
109.06528	85.3
109.10172	19.8
115.10670	3.8
119.08607	11.8
123.08067	9.8
131.08597	27.9
133.10132	56.3
135.08073	30.7
137.05971	18.2
138.06317	13.6
147.11623	6.2
149.13298	5.1
153.09082	4.8
167.06984	4.6
173.13275	41.8
182.05400	4.0
191.14328	100.0
209.15370	51.5
229.72440	4.2
272.32498	4.0
291.99548	4.1
295.15433	4.3
377.49741	4.4
388.14572	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	389.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.6
55.05505	1.3
65.03944	3.5
67.05495	1.6
69.03429	1.7
69.07073	2.9
69.29295	0.5
70.90299	0.7
70.90646	1.3
71.04992	0.7
79.05494	2.0
81.03423	1.1
81.07059	3.4
83.08625	1.4
85.02914	1.6
86.09713	0.7
91.05489	100.0
92.05814	1.0
93.03402	0.7
93.07065	2.2
95.04977	1.0
95.08633	1.3
97.02940	1.0
97.06562	1.1
99.04453	1.5
99.08097	0.7
103.05489	1.0
105.07042	2.2
107.05001	0.8
107.08598	1.8
109.02898	0.7
109.06480	0.8
109.10178	0.6
115.03944	0.6
119.08582	1.4
121.10168	1.0
123.04462	2.2
129.07025	1.2
131.04967	1.1
131.08601	0.8
133.10130	1.3
135.08051	0.8
137.06012	1.2
138.06313	0.6
147.11751	0.8
149.02382	2.5
149.06071	1.0
151.03967	0.6
151.07524	0.8
153.01851	0.8
157.06473	0.8
157.10181	0.6
161.06010	0.9
163.03954	0.6
163.07588	1.0
165.05508	0.6
167.03423	2.5
167.07040	0.7
175.03871	0.7
175.07590	1.0
175.11061	0.7
177.05515	1.4
179.03391	1.0
181.04999	2.2
187.07579	0.8
189.05582	1.0
189.09161	1.1
203.03493	1.3
209.08125	1.4
209.15364	0.7
215.03389	0.9
219.10252	1.6
233.04488	2.0
239.07021	3.3
245.04507	1.5
251.07140	1.5
257.08212	2.4
260.11304	0.6
293.08115	4.8
305.08011	0.7
311.09262	2.4
323.09189	8.4
335.09158	5.9
339.12247	0.8
353.10217	6.4
371.11386	1.8
389.16125	1.7
389.20560	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	Euodionoside A
Peak:m/z	Relative Intensity
53.03930	2.7
55.01867	1.2
55.05512	1.7
57.03426	2.9
57.07072	2.1
61.01223	1.0
61.02915	3.5
67.05495	3.1
69.03091	1.4
69.03436	21.8
69.07064	1.6
70.65814	1.4
71.04980	2.9
73.02911	2.2
79.05505	3.5
81.03418	7.3
81.07063	13.0
83.04988	0.9
85.02912	100.0
87.04475	1.3
91.05486	2.0
93.07030	2.5
95.04977	0.9
95.08610	7.6
97.02908	6.4
99.04469	4.8
105.07031	5.8
107.08593	2.9
109.02892	3.0
109.06525	2.4
109.10161	13.9
111.04440	2.5
119.08578	8.2
121.10155	7.3
123.04434	1.4
123.08125	4.3
123.11718	63.0
124.11947	1.2
125.05999	46.2
127.03918	8.1
130.07779	1.3
131.08588	1.9
133.06509	1.2
133.10152	1.4
135.08003	0.9
135.11699	1.1
137.06007	1.5
139.07526	8.0
145.04979	1.6
145.10141	3.7
147.08041	2.5
147.11710	10.2
149.09633	7.1
151.07544	8.5
155.38594	0.8
156.09413	1.3
161.09641	0.9
161.13255	3.2
163.11192	1.8
165.12785	1.1
167.07028	0.9
167.10703	1.0
169.08539	0.8
171.11708	1.5
189.12735	11.5
207.13817	50.2
225.14873	62.3
251.09131	1.7
261.04047	0.9
290.96072	0.9
295.23520	0.8
333.16962	7.9
351.18018	12.1
369.18985	5.3
387.20178	38.8
388.20532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01872	6.9
57.03438	6.6
61.02932	6.3
68.99778	3.2
69.03434	33.1
70.53954	3.6
71.01356	1.0
71.04981	4.1
71.60382	1.0
73.02909	7.0
74.09525	0.9
81.03426	24.0
85.02911	100.0
87.00837	42.6
91.03934	1.2
91.05485	1.3
97.02896	31.8
99.04462	12.8
103.05399	1.0
105.01874	69.2
105.07038	13.7
106.07422	1.8
108.04504	5.1
109.02888	25.2
115.04010	1.4
117.01830	1.7
119.08571	1.3
124.08433	1.7
126.05532	2.4
127.03928	71.0
129.01849	2.4
137.05965	3.3
138.06354	2.3
145.04970	37.3
147.02765	1.8
147.08112	1.0
147.11644	1.1
148.11957	1.8
151.07539	1.5
159.02884	16.9
171.02832	1.4
177.04010	1.2
189.03938	2.7
192.60545	0.9
207.13873	2.3
208.14214	4.0
213.04002	3.2
213.09195	2.4
218.73256	1.1
231.05037	21.5
231.09883	1.6
249.06142	6.8
339.27634	1.3
388.15384	1.7
388.20486	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1441
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
53.87429	0.3
55.01869	0.5
55.05501	0.4
62.90685	0.2
65.03932	0.7
66.04708	0.3
67.05499	0.9
69.03427	0.6
69.07059	0.5
70.63820	0.3
70.64142	0.5
75.70876	0.3
78.04689	0.3
79.05502	1.1
81.03397	0.4
81.07041	1.1
82.04202	0.4
85.02889	0.9
91.05489	1.1
93.03399	0.5
93.06993	0.4
94.04186	3.1
94.19965	0.3
95.04964	0.4
95.08591	0.7
97.06527	0.4
103.05491	0.6
104.67748	0.3
105.07011	0.8
105.24747	0.3
107.04939	1.2
107.08572	0.3
109.06490	0.4
115.05432	1.7
117.07034	1.9
119.08579	0.5
121.10159	0.3
122.03658	8.0
123.04437	0.8
125.06048	0.4
129.46825	0.3
131.04875	0.5
133.06503	0.5
135.08124	0.3
137.05981	100.0
138.03110	0.3
138.06320	1.1
139.03912	0.6
142.02654	0.4
143.04930	3.4
145.06485	2.2
147.08041	0.5
149.05991	0.5
151.03914	2.7
152.04762	0.3
153.05490	0.5
155.06038	0.6
161.06003	0.7
161.09575	0.3
163.07561	0.5
167.07050	8.1
171.06598	0.4
173.05998	3.0
175.07599	0.9
177.05519	0.3
177.42924	0.3
181.04964	12.7
191.07050	0.7
194.70644	0.3
195.06491	0.4
203.06982	1.7
205.08670	1.8
219.10121	0.4
233.08153	1.2
235.09718	2.4
309.11185	0.3
316.55499	0.3
337.10706	0.3
357.13333	12.8
387.14407	24.3
388.14740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2016
Annotation	Apocynoside I
Peak:m/z	Relative Intensity
67.05512	10.4
69.03442	31.5
70.81879	15.0
72.61585	6.9
81.03413	9.0
81.07063	17.2
85.02914	96.8
95.08615	22.4
97.02867	13.3
97.20048	7.0
99.04504	11.0
105.07047	18.1
107.08627	13.3
108.32201	7.0
109.10180	24.6
119.08599	23.0
123.08093	8.9
123.11720	100.0
125.06023	30.4
127.03919	13.2
147.11711	29.3
149.09642	15.9
151.07643	9.7
167.10562	7.4
180.15089	8.2
189.12770	20.9
207.13817	98.8
225.14963	21.1
238.80731	7.4
333.16965	32.4
350.90979	7.6
351.18069	33.6
369.18973	9.0
387.20218	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	387.144
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03934	0.8
55.01871	1.0
58.15073	0.4
65.03924	1.9
65.51561	0.4
67.05493	1.4
69.03417	1.4
69.53647	3.2
78.04702	0.6
79.05492	2.9
81.03413	1.0
81.07050	1.4
85.02922	2.3
85.06533	0.5
91.00695	0.4
91.05489	2.6
93.03427	0.8
93.07055	1.2
94.04195	3.1
95.04971	1.3
95.08597	0.9
97.02903	0.7
97.06515	1.4
98.20717	0.8
98.58278	0.4
103.05491	3.4
105.07018	1.1
106.04143	0.5
107.04948	1.8
107.08610	0.9
109.06558	0.8
109.10122	0.5
110.03665	0.8
111.04472	0.7
115.05469	2.1
117.07047	3.0
119.08583	0.9
121.06528	0.6
121.10168	0.6
122.03661	8.8
123.04444	2.9
124.05216	0.5
125.06036	0.7
129.07001	0.8
131.04939	3.1
131.08553	0.8
133.06487	1.1
133.10149	0.8
135.08156	0.6
135.21118	0.5
137.05988	100.0
138.03168	0.8
138.06342	1.6
139.03783	0.6
142.02618	0.6
143.04933	2.6
145.06445	2.3
147.08043	0.5
148.05209	1.5
151.03928	8.8
151.05040	0.9
153.01791	0.7
155.06018	1.0
161.06047	0.7
163.07549	3.0
165.05486	0.7
167.07062	14.3
171.06564	0.7
173.05980	3.4
175.07635	1.4
179.06973	0.8
181.04976	26.2
183.02879	0.8
187.07590	0.6
189.09160	0.6
191.07040	8.6
191.08601	0.8
203.07088	1.8
205.08560	2.3
206.33539	0.5
217.08664	0.9
233.08105	1.4
235.09798	1.5
239.08160	0.7
240.08939	0.5
247.39452	0.5
251.07104	0.6
271.10770	1.6
277.08429	0.6
294.08789	0.8
299.10083	1.2
313.29126	0.6
327.09692	1.2
351.12384	1.0
355.08972	0.7
357.13370	11.5
357.17584	0.7
369.13538	1.0
387.14526	26.3
388.14706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
55.05518	1.4
61.02914	0.8
63.27135	0.9
67.05494	1.7
68.65113	0.9
69.03404	3.1
70.06574	3.2
72.08134	1.2
72.94700	1.0
78.04686	1.2
79.05515	2.0
81.03431	1.3
81.07037	1.4
84.08129	2.2
85.02924	5.1
86.09686	3.8
91.05489	1.5
93.07022	1.8
95.01309	2.0
95.04967	1.5
95.08584	1.2
97.02871	2.9
100.66105	0.9
105.07076	2.2
106.04151	2.4
107.04924	1.8
109.10084	1.0
115.03889	1.2
116.07084	1.2
119.08551	1.5
121.06482	2.5
121.10150	1.5
123.04425	6.6
123.08066	1.6
123.11684	1.8
124.05201	1.7
131.08495	1.1
133.10089	1.0
135.08047	1.1
137.05934	1.0
141.01796	1.0
145.04941	1.4
145.06432	1.7
147.04378	1.2
147.08073	1.2
149.05910	2.7
149.09560	1.1
151.07523	1.4
151.83450	0.9
161.05943	1.3
163.11110	2.9
167.07053	100.0
189.12718	1.6
191.06953	1.3
193.08557	3.7
207.13733	4.5
211.09529	2.0
225.14827	3.8
266.23981	1.0
312.94965	1.1
343.13614	1.5
387.14050	64.3
388.14355	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	387.1289
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.03946	0.4
55.83142	0.3
57.03427	0.5
64.78252	0.2
67.05477	0.4
69.03429	0.9
70.06228	0.2
70.06583	1.2
71.11253	0.3
71.11585	0.4
72.08141	0.9
77.42969	0.2
78.04711	1.7
79.05506	1.8
81.03412	0.6
81.07062	0.6
83.04958	0.3
84.04508	0.4
85.02906	1.7
86.09709	1.0
91.05487	1.3
93.03381	0.3
93.07037	0.8
95.01343	1.6
95.04964	1.0
95.08616	0.4
97.02876	0.5
103.05468	0.5
105.07033	1.9
106.04182	1.3
107.04975	1.7
109.02893	0.4
109.06570	0.3
115.05444	0.3
119.08574	0.6
121.06541	1.4
121.10151	0.4
123.04440	5.4
123.08098	0.3
124.05212	1.5
125.05936	0.2
133.06516	1.1
134.03609	0.6
135.04477	0.3
135.08118	0.3
135.11707	0.2
137.06003	0.5
141.01846	0.4
145.10138	0.3
147.04388	0.5
149.05966	1.5
149.09630	0.3
151.03938	1.3
151.07581	0.6
152.04724	1.5
161.05975	1.1
161.13223	0.3
163.11174	1.2
166.06413	0.2
167.07051	100.0
168.07436	1.2
177.04048	0.2
177.05449	0.5
179.07054	0.5
179.14307	0.3
181.08553	1.4
189.12764	0.6
191.07117	0.4
193.08614	3.5
207.13800	1.4
210.11253	0.3
211.09679	3.1
225.10963	0.3
225.14873	0.5
343.13647	0.7
387.12476	0.8
387.16718	3.4
388.16370	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45871	0.8
50.78367	0.9
53.03973	1.1
56.96574	1.8
59.01338	0.9
61.02940	1.1
63.50685	1.1
65.03940	1.4
69.03423	2.7
70.02950	2.6
70.06586	1.6
70.67760	2.0
70.68129	1.7
74.02445	16.5
81.03413	3.1
81.04527	3.4
81.07067	1.1
85.02908	7.7
88.03979	3.9
92.05005	5.1
97.02892	5.2
98.97585	2.6
108.04465	1.9
109.02905	1.5
110.06051	100.0
116.03430	2.1
119.55010	1.0
127.03873	2.4
134.06041	5.5
136.03986	1.7
137.10680	1.3
139.14450	1.0
145.04994	1.6
147.04428	1.3
152.07095	1.3
153.01855	4.5
157.40309	1.0
158.97388	1.9
161.07097	7.5
167.07028	3.7
176.98378	1.2
179.08141	7.5
179.11830	3.2
190.05038	2.2
190.95184	1.0
194.04529	1.7
198.96928	1.1
207.07658	17.4
219.01813	1.9
224.94814	3.8
225.06476	2.2
225.08727	44.3
225.12114	8.9
234.99013	2.8
242.95773	1.8
267.09744	3.4
276.98343	1.1
300.11926	0.9
303.09894	1.2
368.99048	2.7
387.00104	4.7
387.16559	1.7
393.44434	1.0
394.81271	1.0
408.35263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01860	0.8
57.03428	1.4
58.06583	1.9
59.04999	1.0
61.02919	1.5
67.59853	0.5
69.03431	4.6
69.70644	3.2
70.29720	0.5
71.04964	0.7
73.02917	0.7
76.82226	0.6
79.05489	0.9
81.03434	3.0
82.06608	0.6
85.02440	0.9
85.02912	14.0
87.04453	0.6
91.03969	1.0
91.05483	2.6
92.24957	0.5
97.02908	5.0
98.21489	1.0
99.04438	1.0
100.79731	0.6
103.05478	5.5
105.07037	15.2
105.29477	0.5
107.04942	1.5
109.02880	1.4
117.07053	0.6
118.06566	5.8
120.08118	12.3
127.03897	2.3
128.06227	2.3
130.06567	0.6
131.04909	2.4
131.07275	0.8
131.08505	0.7
132.08113	0.8
143.08554	2.4
145.04974	1.3
160.11229	61.0
161.11584	0.9
178.12285	49.4
206.11761	10.4
224.12825	100.0
225.13065	1.6
225.60338	0.7
248.12819	0.9
254.13837	0.6
272.70975	0.6
350.15723	0.7
386.18161	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	386.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88020	1.9
53.03945	4.8
54.76898	1.7
57.03426	4.0
57.07084	2.5
58.71361	2.0
61.02924	8.2
67.05525	3.8
69.03430	17.4
69.07039	1.9
70.06023	7.0
70.27984	1.9
71.04971	2.6
72.69314	2.1
73.02923	4.1
79.05500	23.7
81.03431	8.0
85.02912	89.1
85.06548	33.6
87.04491	3.2
91.03957	3.6
93.07079	2.7
95.08558	2.7
97.02900	22.3
98.21535	1.9
99.04451	4.1
105.03409	24.6
109.02888	7.1
119.08624	4.0
123.04436	100.0
127.03942	18.6
128.06235	2.3
137.06007	6.6
145.04974	39.1
145.06142	2.0
152.37564	2.0
154.72583	2.0
163.06035	7.7
189.09048	4.2
206.15428	3.8
224.16469	10.6
225.48705	2.3
274.86575	1.8
386.24197	2.6
387.14224	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	386.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.4
57.03442	3.2
57.07077	13.4
59.04992	2.5
59.71208	1.8
61.02924	4.7
69.03429	7.0
70.06588	3.0
70.44376	5.8
72.08153	1.8
73.06578	1.6
79.05486	3.1
81.03418	3.8
81.07056	3.0
83.08621	3.8
85.02916	23.5
89.06036	69.2
91.05474	2.5
93.07050	3.1
95.04955	2.7
95.08555	2.0
97.02903	7.5
101.09658	13.3
101.10236	2.1
103.05534	1.8
105.07003	3.3
106.20771	1.8
107.04992	2.8
107.07087	3.7
107.08608	3.5
107.12077	1.7
109.02909	3.1
109.10210	1.7
119.08617	2.5
123.08065	3.7
127.03916	3.0
131.77451	1.6
133.08621	22.7
133.09569	2.3
133.10091	2.2
137.05997	13.0
145.04968	2.1
145.12265	13.7
148.75159	2.0
149.06000	2.1
151.07553	5.0
151.09647	26.2
153.01848	4.7
154.55338	1.6
161.09528	2.9
163.11208	4.9
180.10208	2.2
181.12224	3.6
189.12617	2.3
207.13885	10.4
207.15904	100.0
219.68214	1.9
223.12108	1.8
225.14793	2.3
248.81764	1.7
324.19553	5.9
357.13187	1.9
387.14713	4.0
387.20282	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	387.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99723	5.0
56.96567	10.4
61.02926	4.6
67.05499	7.3
69.03443	8.5
69.68123	26.3
71.13676	4.0
71.28740	4.5
79.05517	6.9
81.03426	11.1
81.07063	8.4
85.02917	43.1
91.05516	14.4
93.07070	11.1
95.08590	8.4
97.02908	15.6
97.06549	8.9
98.20758	9.9
98.97569	24.6
103.35291	5.1
105.07027	10.9
107.08617	5.7
109.02880	7.2
109.10151	5.4
110.97598	9.9
116.98647	6.5
119.08577	12.1
119.39283	4.0
121.10153	7.7
122.03654	11.0
123.08069	32.1
125.06001	5.8
127.03915	13.6
127.49220	4.1
131.04984	5.1
131.08571	5.5
133.10170	8.4
135.11769	6.1
136.07594	18.7
137.05994	100.0
139.04008	4.5
143.04909	5.4
145.04968	15.0
145.06499	5.2
147.11713	6.6
150.28693	4.7
151.07567	47.3
161.06006	5.3
161.13245	5.1
163.07541	6.7
163.11200	21.6
167.07069	20.0
181.04993	13.7
181.12273	12.5
189.12752	9.5
190.45436	4.7
193.08580	4.9
204.06616	7.0
207.13805	58.3
219.01891	9.7
225.14969	13.9
234.99030	7.8
237.02879	10.7
301.09613	20.5
309.32932	4.9
319.10751	22.7
327.09451	5.8
357.13333	9.9
361.98355	5.6
387.10321	33.9
387.14691	27.1
387.20157	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	385.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.8
55.01870	5.9
55.05508	8.8
57.03437	5.3
67.05497	14.1
69.03444	23.2
69.07053	3.9
69.34057	29.9
71.05004	5.5
72.08174	4.6
73.02924	3.7
79.05495	11.2
81.03411	11.8
81.07072	17.3
83.04967	8.2
85.02910	29.1
85.06533	3.8
91.05482	10.3
93.07036	14.5
95.04958	15.0
95.08591	10.5
97.02883	10.3
97.06528	7.4
98.20760	5.3
99.04449	5.0
105.07049	20.8
107.04952	5.4
107.08588	13.1
109.02847	5.4
109.06508	4.9
109.10165	3.9
111.08102	6.8
117.07082	6.1
119.08588	15.8
121.06519	9.2
121.10128	9.4
123.04405	11.2
123.05491	3.6
123.08083	9.8
124.03976	4.1
125.05982	11.5
127.03877	5.6
131.08539	7.2
133.10123	8.4
135.08086	6.1
135.11705	11.1
137.06004	23.8
139.07538	11.8
145.04948	5.3
145.10147	19.2
147.08008	8.7
149.09663	3.9
153.01854	5.1
157.10115	3.8
159.11693	9.2
161.09627	17.4
163.09868	6.4
163.11198	100.0
164.11397	4.4
165.09061	4.1
167.07050	82.2
175.07620	4.0
175.11102	4.3
177.12767	3.9
180.10202	7.9
187.11061	4.7
205.10443	6.3
205.12256	67.7
223.11194	6.2
223.13309	78.8
311.05316	3.5
312.14536	6.9
385.13464	5.4
385.18289	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	386.16
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
54.03479	0.7
55.01884	0.4
55.04259	0.5
57.89835	0.4
60.05512	0.4
68.99803	1.0
69.03441	0.5
69.34185	0.4
69.75752	2.1
70.06596	100.0
71.06937	0.5
76.04990	0.4
79.05530	0.8
83.42657	0.4
91.05505	1.0
93.07077	0.7
103.05457	0.8
107.04955	1.0
119.04916	1.9
121.06504	2.2
123.04436	11.2
135.04439	1.8
137.06041	0.5
147.04420	6.7
149.06004	4.2
159.04430	1.2
161.06007	1.0
165.05482	4.3
175.07579	0.6
177.05479	53.7
178.05843	0.6
207.06512	1.0
217.32591	0.4
234.11259	3.3
238.63510	0.4
329.10205	11.9
386.15988	37.0
386.24753	1.1
387.16284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01878	4.8
55.05521	3.1
57.03448	3.6
67.05522	2.6
69.03432	8.6
70.06597	7.7
70.90022	3.5
71.04995	2.5
71.06129	2.4
72.08167	2.5
72.79552	1.6
79.05490	3.7
81.03429	4.7
81.07068	7.7
83.04989	4.6
84.85595	1.9
85.02923	16.7
86.09708	4.7
87.04515	2.1
91.05473	10.5
93.07032	8.1
95.04965	5.0
95.08620	4.8
97.02899	8.6
97.06561	2.8
99.04461	3.5
101.79632	1.6
105.07034	5.9
107.04903	8.2
107.08635	3.9
109.02895	3.5
109.06523	8.0
109.10184	3.4
111.04491	1.8
111.08105	1.8
115.08681	3.1
116.07122	2.9
117.07066	2.2
119.04920	2.2
119.08624	5.7
119.79715	1.4
121.06521	100.0
121.10160	6.0
123.04451	6.4
123.08092	4.9
125.05973	3.7
127.03944	3.9
131.08578	2.5
133.10155	3.2
135.08043	2.7
135.11703	3.3
136.07616	3.5
137.06006	4.1
137.09630	4.5
139.07574	2.2
145.10185	5.0
147.07997	5.7
147.11731	1.8
149.06017	18.7
151.07515	2.8
159.07938	2.1
159.11722	4.2
161.09697	3.0
163.07564	3.4
163.11206	48.4
165.09135	3.5
167.07074	15.5
169.10246	1.9
172.08778	1.6
177.05583	3.1
177.09158	4.2
177.12744	2.8
178.09457	2.2
179.07050	1.4
179.10738	1.6
187.11226	4.9
198.06828	1.5
205.12256	68.1
223.13268	16.7
385.14136	4.4
385.19220	3.3
385.24442	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	385.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01854	5.0
55.05513	5.1
57.03438	4.4
61.02915	3.9
64.39633	2.8
67.05504	6.2
69.03416	11.7
70.06592	3.6
71.04978	3.2
71.50517	4.2
72.69299	3.8
79.05489	10.0
81.03423	7.7
81.07050	17.6
83.04964	5.0
85.02904	28.7
86.09675	3.8
86.62621	3.0
91.05474	8.7
93.07045	13.7
95.04952	11.5
95.08607	8.5
97.02882	9.1
97.06527	9.3
98.09637	3.1
105.07037	15.8
107.04948	5.6
107.08601	9.8
109.02876	8.2
109.06513	3.5
109.10130	6.4
111.08081	4.9
115.05421	4.7
117.06998	5.7
119.08566	13.9
121.06521	5.8
121.10148	11.6
123.04386	11.8
123.05665	4.1
123.08044	5.1
125.06008	9.1
133.06540	3.9
133.10115	7.0
135.08054	5.4
135.11699	7.1
137.06013	20.0
137.09669	3.3
139.07526	8.1
143.08585	3.9
145.04958	5.6
145.10158	18.4
147.08040	10.0
147.11711	5.5
149.06042	7.0
151.07445	3.8
153.01839	5.7
159.11731	8.1
161.09612	13.3
163.07520	3.8
163.09877	5.7
163.11201	100.0
165.09109	5.4
167.07053	72.4
177.12827	3.1
180.10135	5.1
187.07603	3.6
187.11160	3.1
187.14775	3.6
205.12245	70.2
211.62218	3.4
223.13292	72.0
273.96921	3.9
292.23373	3.1
312.14456	4.4
355.72180	2.9
385.13287	6.5
385.18375	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	383.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.3
55.05515	15.7
57.06879	1.7
57.07082	17.3
61.71625	2.1
67.05509	31.8
69.07079	23.9
70.81865	6.0
71.08641	16.0
79.05515	14.4
81.06593	2.9
81.07067	57.2
83.08624	19.5
85.10206	9.9
91.05484	18.2
93.07058	26.3
95.08620	53.8
97.10178	19.0
97.98982	1.8
105.07043	32.6
107.08595	22.9
109.09467	3.9
109.10165	45.0
111.11730	6.1
119.08589	24.1
121.10158	23.5
123.11707	15.5
125.13254	3.3
131.08578	5.9
133.10139	18.7
135.00693	1.9
135.11710	34.0
137.13264	8.8
145.10150	6.1
147.11697	64.5
147.12819	4.4
149.13283	19.3
151.14835	4.0
159.11719	9.3
161.13275	47.2
163.14755	9.7
165.16449	3.2
173.13286	4.6
175.14865	23.1
177.16350	2.1
179.18007	2.2
187.14973	3.1
189.16411	11.1
201.16406	7.7
203.14047	2.0
203.17929	11.1
211.85945	1.9
215.17996	12.7
217.19582	6.5
219.21196	2.6
229.19556	7.5
233.22621	3.3
241.19467	2.4
243.21182	12.2
247.24272	4.6
257.22607	6.2
265.88293	2.1
273.25867	7.8
287.27478	3.6
301.28970	5.7
327.30298	2.3
383.36780	100.0
384.37186	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	384.1152
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01860	1.1
56.96549	0.8
57.03445	2.1
59.30686	0.3
61.02922	0.6
62.65405	0.3
69.03407	1.5
70.06586	1.8
70.68867	1.0
71.01344	0.7
73.02901	1.2
74.17982	0.4
81.03375	0.4
84.04511	0.5
85.02910	2.6
87.04443	0.5
91.14944	0.3
94.03967	0.4
97.02892	0.8
98.97556	1.1
99.00795	0.8
110.07156	0.5
110.97539	0.6
115.03886	0.6
116.98627	0.5
119.03534	0.6
121.05097	1.6
127.03876	0.4
128.98615	0.6
133.04955	0.5
135.06653	2.1
136.06189	18.3
136.50845	0.4
137.04552	1.1
139.84891	0.3
145.05005	0.4
146.04689	0.4
148.06180	7.4
152.56467	0.3
155.05678	0.4
160.06165	0.8
162.07756	38.5
164.05603	0.8
165.05365	0.5
170.57753	0.4
188.05685	13.4
188.07361	0.7
192.05167	18.2
201.25868	0.4
206.06729	6.5
216.05125	0.8
222.04030	0.6
229.00206	1.1
234.06218	11.8
238.05193	0.4
245.46700	0.5
252.07291	100.0
253.07570	1.7
270.91162	0.4
294.07983	0.5
326.10962	0.4
335.06226	0.4
362.56393	0.4
384.11499	20.5
385.11603	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.7
67.48809	0.3
70.02971	0.6
70.06593	4.1
71.50325	0.4
79.05464	0.3
84.04480	0.4
84.08144	0.5
85.02890	0.7
85.04020	0.7
91.05495	1.8
92.01711	0.3
97.01087	0.4
99.02677	0.5
99.05584	0.8
107.04961	0.8
109.02848	0.7
117.05759	0.4
118.06599	0.4
119.04917	0.8
130.06528	1.5
131.04539	0.4
131.07288	0.4
132.08075	1.2
133.08913	0.8
134.09657	0.4
136.02190	0.5
136.07605	3.0
145.06099	0.4
148.07578	0.4
149.03044	0.4
156.04800	1.4
157.07646	0.4
158.06015	1.3
159.06799	0.4
162.05499	0.6
162.09135	2.2
164.05321	5.1
165.06224	0.4
166.06944	0.3
175.08672	0.9
176.07132	0.6
177.03326	0.5
177.05519	0.8
177.07835	1.5
177.09207	0.5
180.04800	0.6
182.02756	0.8
182.06355	1.4
183.23924	0.3
185.08345	0.7
192.04861	0.4
193.05571	1.2
194.06424	0.8
203.08066	0.4
207.08922	0.9
208.09688	4.2
210.05847	7.0
218.06274	1.7
220.09581	0.4
221.09293	2.1
238.05336	100.0
239.05659	1.6
240.06903	9.6
255.65150	0.3
263.08490	2.0
264.06882	0.9
281.09610	3.1
289.03452	0.8
292.06406	0.8
327.08679	0.7
346.65036	0.3
366.11151	7.9
366.15567	0.4
367.09549	6.4
368.09741	0.5
384.11758	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	385.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63700	10.3
52.55476	11.5
54.87329	9.2
70.48936	35.5
79.82964	10.4
80.78675	10.0
85.02919	20.2
93.07033	12.0
97.02896	16.9
98.97584	22.1
105.07012	21.8
110.06030	14.0
110.34806	9.6
120.08068	11.2
138.05533	14.6
152.07077	75.8
160.11243	24.9
166.05075	11.7
166.08635	48.0
167.06972	13.8
178.12306	16.4
180.06598	15.1
182.08162	97.1
194.08138	77.7
202.08647	12.7
204.06651	11.9
206.11858	12.7
212.09169	59.6
221.37405	9.9
224.12874	46.3
230.08208	13.7
233.77002	11.4
237.02872	15.2
243.11441	19.0
244.09721	17.1
250.67860	11.7
262.81802	10.3
271.10858	14.3
272.09094	27.1
290.10248	25.6
297.63092	11.1
318.09836	23.4
336.10773	18.0
349.13986	24.9
385.08978	100.0
385.18301	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	385.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23085	9.5
69.44711	59.5
75.78384	11.1
87.70260	11.6
115.94356	10.7
120.88627	10.9
162.36000	11.6
187.37881	11.5
233.15944	11.0
302.73593	13.3
385.09045	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	385.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01870	7.4
56.96574	15.0
61.02913	1.8
69.03441	4.3
69.63289	9.2
70.06591	8.2
79.05490	7.4
84.96046	3.5
85.02918	9.8
88.02227	2.4
89.20105	2.1
91.05506	4.6
95.01221	1.9
95.04974	4.9
97.02900	5.5
98.97594	17.4
103.05476	6.4
105.07040	65.2
106.07359	2.0
107.04984	3.2
109.02879	2.7
110.97572	5.9
112.99179	1.8
115.05472	12.7
116.98633	8.5
117.07026	2.8
118.04140	4.4
122.07159	3.0
123.04433	5.9
124.61937	1.9
127.03932	4.2
128.98608	6.8
131.00163	2.3
131.04936	6.3
133.06499	55.7
134.99626	2.2
136.06178	6.9
137.06581	2.6
140.04810	2.1
143.04970	2.6
143.06009	5.3
145.06500	6.3
146.99702	2.4
147.04359	3.5
148.06212	1.9
151.03920	5.6
152.07092	3.7
152.98679	2.1
153.01839	6.1
155.07047	4.2
157.05042	1.9
157.06483	2.0
158.99652	2.8
161.01117	1.8
161.05995	100.0
162.06482	2.7
162.07762	9.4
163.03963	2.4
163.08162	9.1
166.08687	3.1
167.07037	21.5
170.99664	4.5
173.05968	4.9
175.03883	2.3
175.07526	3.5
181.04900	3.3
182.08138	3.1
185.01302	4.3
189.00731	7.1
189.05763	3.6
190.06271	2.7
192.05141	3.7
193.05534	3.5
193.08615	63.9
201.05606	2.8
203.07109	2.8
205.08589	3.5
207.06581	7.4
210.99194	6.0
212.09447	1.9
215.06966	2.4
217.05054	3.0
219.01768	3.3
219.06552	5.1
221.08134	3.8
229.00191	21.7
229.04942	4.2
231.06570	7.6
233.04440	8.3
233.08147	3.6
234.99109	2.8
235.06528	5.9
237.02959	4.1
251.05518	1.8
251.09128	19.7
252.07301	18.4
253.00224	3.3
253.07607	34.5
254.07982	2.3
261.07544	14.3
263.09195	3.6
267.60156	1.9
271.01294	4.9
275.09219	3.3
293.10095	2.4
307.08203	3.0
325.02209	2.2
327.01767	2.4
361.04318	2.2
380.92465	2.3
385.11734	10.0
403.05679	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	383.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.7
55.05518	13.4
57.03437	2.4
57.07076	5.1
59.04997	7.9
65.03943	4.4
67.05511	100.0
69.03429	4.0
69.07068	5.3
71.04987	5.6
71.51236	1.8
79.05505	13.4
81.07069	21.1
83.04994	2.2
83.08618	5.4
85.06562	5.8
91.05494	21.1
93.07055	33.5
95.04980	7.0
95.08617	16.7
96.14212	1.6
97.06554	5.4
103.05465	1.4
104.98705	1.3
105.07034	21.7
107.08609	14.3
109.06544	10.9
109.10166	74.4
111.08091	5.5
111.88393	1.1
117.07008	4.0
119.08613	22.1
121.06520	4.1
121.10157	11.9
123.08057	10.2
128.06219	2.3
129.07013	3.0
129.60146	1.3
130.07753	2.0
131.08589	8.6
133.06535	2.4
133.10133	9.8
135.08078	8.8
135.11694	1.9
137.05977	2.3
137.09622	5.6
142.07787	4.2
143.08566	7.0
144.09428	1.6
145.10159	10.0
147.08041	7.6
147.11702	5.4
149.09621	9.3
151.07545	12.2
155.08615	2.0
155.10658	8.3
156.09392	3.4
157.10153	13.8
159.08034	3.3
159.11728	6.0
161.09618	6.3
161.13222	2.6
163.11177	1.5
165.09134	11.3
167.08508	1.5
169.10117	2.3
170.10890	1.9
171.08153	1.4
171.11653	3.3
173.09677	3.3
173.11783	27.0
173.13245	3.7
175.11226	6.6
175.14816	3.6
177.09114	2.9
178.09801	1.8
183.11717	2.8
185.13277	7.2
187.11162	1.9
189.12834	2.1
195.11662	2.1
197.13232	3.4
201.12790	3.2
203.14310	9.3
207.11890	1.4
207.13837	3.6
209.13297	2.1
209.15309	1.6
215.14273	1.6
219.13736	1.6
221.13396	2.1
221.15367	18.2
221.81119	1.3
227.14279	1.5
229.12341	1.7
231.13808	2.0
233.15338	1.7
234.16202	3.1
273.18817	1.1
286.19241	2.0
287.20023	3.0
299.20145	2.1
303.19443	1.7
365.24731	2.1
383.25043	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17432	2.2
53.03941	5.5
55.01881	2.6
55.05511	14.2
57.07072	9.0
59.04990	10.4
65.03962	2.4
67.05513	100.0
69.03426	9.7
69.07067	5.8
70.68365	4.5
71.04985	9.3
74.31842	2.2
79.05499	22.4
79.37837	2.3
81.03408	2.8
81.07067	39.8
83.04976	6.3
83.08603	9.3
84.70473	2.2
85.06557	5.2
91.04977	3.6
91.05489	37.2
93.07053	68.8
95.04996	20.0
95.08614	30.7
97.06516	7.9
99.04390	2.3
103.05496	2.3
105.07047	49.6
107.08605	34.6
108.05823	2.6
109.06534	18.1
109.10168	81.3
111.08076	9.8
111.60595	2.2
114.76031	2.4
115.05518	3.1
116.06324	2.4
116.15343	2.2
117.07012	6.7
119.08588	41.5
120.09362	2.5
121.06526	9.7
121.10144	32.1
123.08064	22.6
128.06221	4.6
129.06998	10.8
130.07834	3.0
131.08589	18.3
133.06516	8.0
133.10158	20.9
135.07173	2.7
135.08040	16.5
135.11731	5.1
137.09601	13.7
141.07028	4.2
142.07782	15.5
143.08559	20.7
144.09349	4.1
145.06554	3.2
145.10133	28.1
146.07225	3.7
147.08051	17.2
147.11705	7.8
149.09625	17.6
151.07555	31.0
155.08569	5.5
155.10620	6.3
156.09349	6.9
157.10155	21.7
159.08052	7.0
159.11723	8.7
161.09624	14.2
161.13249	5.8
163.07431	2.4
163.11201	4.7
165.09146	31.5
168.09386	3.4
169.10146	4.4
170.10884	4.2
171.11676	3.8
172.08945	2.9
173.09645	7.0
173.11801	19.0
173.13193	5.2
175.11217	10.8
175.14824	3.0
177.09100	9.1
181.26976	2.3
182.10994	2.9
183.11667	6.4
185.09615	2.6
185.13264	12.4
187.11119	2.6
187.14896	3.5
189.12714	7.1
191.14302	3.4
195.11833	4.2
197.13289	4.7
200.76425	2.8
201.12788	6.1
203.14336	26.4
207.11856	3.5
207.13866	9.9
209.15425	2.4
211.11198	3.4
211.14825	2.4
213.12914	2.7
215.14270	6.9
219.13817	3.1
221.13414	4.5
221.15393	47.4
225.12921	3.1
229.82762	2.5
231.13846	3.3
233.15410	4.4
234.16197	8.1
237.14883	3.8
239.14375	3.1
269.19000	2.5
281.18991	2.4
286.19180	3.8
287.20053	3.9
299.20105	6.6
303.19562	5.2
365.24759	7.1
383.20151	5.8
383.25360	45.7
390.44278	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05517	8.4
57.03441	2.6
57.07068	1.2
59.05003	4.4
65.03939	1.9
67.05507	100.0
68.05820	0.6
69.03436	0.7
69.07073	2.8
71.04998	3.6
71.52200	0.9
75.42089	0.4
75.63894	0.4
79.05486	2.9
81.07055	14.2
83.08626	6.0
85.06541	2.2
87.04500	0.6
91.05483	6.7
93.07056	4.4
95.04973	0.8
95.08602	6.3
97.06529	0.7
99.08089	0.5
105.07008	0.9
105.12691	0.5
107.08620	2.8
109.10161	76.6
110.10519	1.1
111.08083	3.3
116.51142	0.5
119.08578	7.7
125.09605	0.6
127.11213	0.6
131.08583	0.5
137.09607	4.5
145.10146	0.5
155.10664	7.7
173.11742	23.8
174.99251	0.5
195.42438	0.6
196.41841	0.5
211.13310	0.6
296.62375	0.5
383.24292	28.4
384.24573	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2585
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03951	5.4
55.05509	18.4
57.03439	3.6
57.07078	9.3
59.04995	9.4
65.03944	4.6
67.05511	100.0
68.25420	2.0
69.03438	13.0
69.07068	10.0
71.05013	5.1
79.05495	32.7
79.77674	2.3
81.03421	4.0
81.07064	39.3
83.04982	5.0
83.08627	7.5
85.06551	4.8
91.05491	42.0
93.07051	79.1
95.04993	17.8
95.08613	31.7
96.04327	2.0
97.06539	11.2
100.24729	2.5
105.07043	67.7
107.08601	33.5
109.06557	16.0
109.10165	67.5
111.08099	8.8
116.06260	3.1
117.07034	6.6
119.08595	38.5
121.06512	8.0
121.10147	40.8
122.07305	3.5
123.08102	22.6
128.06255	6.0
129.07045	7.7
130.07782	4.0
131.08574	25.3
133.06517	6.5
133.10133	27.7
135.08075	18.4
135.11682	4.7
137.09615	10.3
141.07048	3.5
142.07793	16.5
143.08565	19.1
145.06479	2.9
145.10156	30.6
147.08047	17.6
147.11674	11.4
148.08861	3.5
149.09639	26.3
151.07556	29.4
155.08588	3.6
155.10625	3.6
156.09363	7.3
157.10132	29.8
158.07454	2.6
159.08060	8.9
159.11737	12.2
161.09615	16.8
161.13376	4.9
163.11165	6.8
165.09131	35.2
166.48039	2.3
169.10127	5.5
170.10873	2.5
171.11685	5.4
173.09682	8.8
173.11749	18.4
173.13319	6.8
175.11177	13.1
175.14857	6.7
177.09149	9.7
178.09894	3.9
182.10904	3.1
183.11769	6.2
184.12384	2.2
185.13275	10.1
187.11220	7.1
187.14793	3.3
189.12755	7.2
191.14334	3.1
195.11810	3.0
197.13315	4.4
199.11229	4.1
199.14940	3.2
201.12834	8.8
203.14319	24.9
207.13893	11.2
209.13304	6.1
213.12816	6.0
215.14340	6.3
216.15039	4.6
219.13815	5.0
221.13438	2.2
221.15385	63.1
223.14911	2.5
231.13878	2.8
233.15366	6.5
234.16122	14.4
250.99467	2.3
286.19308	6.0
287.20224	5.5
299.20160	5.7
303.19589	8.6
365.24734	7.3
383.25702	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.05500	3.0
56.05033	1.0
57.03399	0.9
61.02930	0.9
62.31939	0.9
67.05486	2.6
68.05032	1.6
69.03419	2.1
69.07076	1.8
70.06593	1.1
70.91020	2.5
71.04991	1.1
72.83749	1.0
75.08714	0.8
79.05476	3.8
80.04990	4.4
81.03410	2.9
81.07056	4.3
83.04971	1.3
85.02890	3.8
88.03983	1.7
91.05458	4.7
93.07040	5.5
94.06590	1.1
95.08616	4.7
98.06056	9.0
98.94673	0.8
105.07034	3.4
107.04945	1.1
107.08615	5.3
108.08102	2.1
109.10161	2.1
110.09684	2.9
114.05534	6.6
115.05482	1.6
116.07092	1.8
117.07008	3.9
118.06548	29.7
119.08562	2.4
121.10129	2.7
122.09653	1.1
123.10445	1.0
123.11676	1.0
124.11221	1.0
127.03954	1.2
128.62758	0.9
129.07028	1.3
130.06526	17.1
131.08591	1.2
133.10115	1.8
135.11685	3.5
137.13350	0.9
138.05496	3.5
142.06543	3.6
143.07271	3.0
143.08459	1.4
144.08096	19.1
146.06015	75.6
147.11656	1.4
150.12794	2.9
151.11160	0.9
152.14351	64.9
156.08180	1.0
161.09688	1.0
164.14374	2.0
170.06009	6.5
175.11285	1.0
178.15918	1.2
184.11232	1.1
188.07079	58.6
196.16972	42.8
208.13354	2.4
210.14905	10.9
221.10733	1.6
236.16464	1.4
254.17514	16.9
267.11340	6.2
325.40631	0.9
339.20685	27.7
357.70822	0.9
383.15271	2.5
383.23306	100.0
384.23730	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03939	5.9
55.01868	3.3
55.05508	17.5
57.03439	3.7
57.07076	11.1
59.04997	8.2
60.69549	1.9
65.03928	3.5
67.05510	62.0
69.03432	15.9
69.07060	9.3
69.40600	14.2
71.04991	6.8
79.05501	31.7
81.03410	2.7
81.07059	35.3
82.49858	2.0
83.04977	6.3
83.08630	5.5
85.06541	6.7
91.05484	42.3
93.07050	100.0
95.04964	20.8
95.08612	36.4
95.86509	1.7
97.06528	10.5
98.21439	4.3
103.05467	5.0
105.07034	68.7
106.07805	2.2
107.04981	3.2
107.08595	47.3
109.06521	22.7
109.10157	42.0
111.08069	9.0
115.05481	2.6
116.06177	2.2
117.07028	13.0
119.08586	43.0
120.09377	3.2
121.06500	13.4
121.10148	43.1
123.08068	31.1
125.09653	2.1
128.06226	8.8
129.07010	13.5
130.07784	4.8
131.08565	21.0
133.06491	7.7
133.10162	26.2
135.08061	20.9
135.11678	6.1
137.05994	3.0
137.09624	13.6
141.06955	4.7
142.07784	16.5
143.08546	23.2
145.06500	3.3
145.10133	34.8
146.07237	2.7
147.08060	26.2
147.11726	12.8
148.08835	4.5
149.09636	27.2
151.07558	36.1
153.09047	3.9
155.08559	7.0
155.10716	3.0
156.09331	6.7
157.08960	1.9
157.10135	35.4
159.08080	8.9
159.11668	14.7
160.08852	3.0
161.09618	19.2
161.13264	7.9
163.11182	8.9
165.09122	45.4
165.10516	2.5
169.10162	4.6
170.10953	5.1
171.11699	7.1
173.09601	7.1
173.11748	10.2
173.13280	6.5
174.10495	3.7
175.11166	19.4
175.14836	7.6
177.09097	13.2
178.09857	3.8
181.10112	2.8
182.10909	3.0
183.11726	4.4
185.09581	3.2
185.13228	17.9
187.11235	4.9
187.14912	3.1
189.12727	12.3
191.14334	4.6
195.11697	6.0
197.13289	5.1
199.11137	3.6
201.12700	11.9
203.14299	25.7
207.11989	2.5
207.13786	14.2
209.13390	4.3
209.15317	4.7
211.11220	4.2
211.14838	3.5
213.12720	4.5
215.10820	2.3
215.14337	8.4
216.15109	4.5
219.13829	7.2
221.15356	79.4
222.15845	2.6
223.14827	2.4
225.12962	2.5
225.16391	2.7
227.14256	4.1
229.12202	2.5
231.13768	3.3
233.13245	2.2
233.15361	7.2
234.16151	15.7
237.14684	3.0
239.17844	3.0
243.13808	3.7
267.17419	2.3
271.16953	2.0
281.19144	2.4
286.19308	7.0
287.20053	8.1
299.20175	4.5
303.19629	10.5
307.20062	2.2
347.23575	2.3
353.19165	2.1
365.24780	12.8
383.25803	67.8
384.26111	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.8
53.43478	4.9
55.01864	12.9
55.05509	21.8
57.03428	10.4
59.04963	6.4
60.40147	4.0
61.02914	8.1
65.03953	4.6
67.05509	28.4
68.99776	7.2
69.03431	58.3
69.07057	8.6
71.04987	10.1
71.51388	5.1
73.02905	4.9
79.05496	35.7
81.03412	23.2
81.07062	45.9
83.04961	16.5
85.02908	49.7
86.21058	5.1
87.00819	24.5
87.04474	6.1
91.05476	43.2
93.07043	100.0
93.76261	4.5
95.04947	18.4
95.08600	41.7
97.02889	28.3
97.06529	15.0
99.04435	8.3
105.07042	73.3
107.04937	12.5
107.08604	76.2
109.02869	6.2
109.06507	17.6
109.10146	11.0
111.04436	15.8
115.05457	5.8
117.07002	16.2
119.08585	51.8
121.06498	12.7
121.10155	27.6
123.04420	10.4
123.08042	13.7
123.11684	6.4
125.05962	6.5
127.03930	7.1
129.06969	9.0
130.07758	4.4
131.08588	26.5
133.06494	7.9
133.10138	45.8
135.08034	15.4
135.11702	34.0
137.05978	7.6
142.07823	7.2
143.08519	12.8
145.06519	8.8
145.10132	34.9
147.08035	20.5
147.11664	32.2
149.05928	9.6
149.09567	5.7
149.13240	6.3
151.11177	6.4
153.01826	17.3
155.08505	6.4
157.10109	15.8
159.02940	7.2
159.08034	8.5
159.11728	21.7
161.09644	13.3
161.13260	20.7
163.07553	5.5
163.11226	43.6
165.12750	32.0
167.07138	5.8
169.10036	5.3
171.11694	7.2
173.09630	5.1
175.11183	9.6
175.14934	6.9
177.12762	17.8
185.13222	5.3
185.93513	5.0
189.03818	5.7
189.12762	7.4
191.10580	5.1
191.14314	6.0
193.12210	9.0
197.05934	4.3
201.03912	6.9
201.09172	6.8
201.12694	6.7
203.10843	5.0
203.14345	18.6
215.14326	12.2
219.13797	5.1
221.15337	36.0
223.13620	4.3
225.12712	7.5
243.13837	29.8
247.07379	4.6
261.14838	62.4
263.10638	5.2
279.15948	12.1
323.12744	6.0
337.10638	5.7
347.14822	21.2
351.12286	8.0
358.59549	4.6
365.15915	28.2
383.11047	8.8
383.15829	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.05516	9.3
57.03446	3.1
57.07076	0.7
59.05006	5.5
65.03941	1.7
67.05509	100.0
68.05829	0.7
69.03439	1.6
69.07066	3.6
71.04996	4.4
71.51442	0.6
79.05505	4.7
81.03433	1.0
81.07063	19.9
81.07533	1.3
82.88486	0.6
83.04995	2.2
83.08621	6.3
85.02934	1.3
85.06566	2.9
88.45853	0.6
91.05479	9.1
93.07057	7.4
95.04996	1.7
95.08611	10.4
97.06544	0.6
99.08115	0.9
101.38093	0.6
105.07034	3.1
107.04988	0.6
107.08602	3.7
109.06514	1.5
109.10164	77.7
110.10547	0.7
111.08105	3.6
117.07045	1.0
118.06586	1.6
119.08599	8.5
121.06574	0.8
121.10134	0.7
123.08112	0.9
123.49759	0.6
129.07037	1.0
131.08609	1.1
133.10196	1.0
137.09615	5.1
145.10194	1.4
146.06085	2.7
147.08099	0.8
147.11778	1.0
149.09576	0.6
151.07544	0.8
151.14879	1.3
155.10701	6.1
157.06709	0.6
157.10294	0.8
173.09612	1.3
173.10156	1.3
173.11751	25.1
175.11179	0.9
179.14439	1.3
183.75970	0.6
188.07019	3.1
193.12381	0.7
197.09679	1.0
252.16144	1.4
271.13531	1.0
277.54333	0.7
289.61087	0.6
355.22681	0.9
365.21591	2.2
383.24466	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	383.2067
Annotation	Cinncassiol A
Peak:m/z	Relative Intensity
55.05511	6.9
61.31226	5.3
67.05495	24.9
69.03431	14.5
70.06574	14.0
70.67487	15.3
79.05507	28.9
81.07050	39.8
83.04964	8.7
84.08113	7.3
85.02902	11.5
91.05484	52.0
93.07046	55.9
95.08613	26.5
105.07043	44.2
107.04922	12.3
107.08601	65.1
109.06496	18.7
109.10161	70.9
117.06998	12.4
119.08591	60.3
121.06471	9.2
121.10156	16.1
125.09647	6.6
126.86046	6.4
129.07047	8.5
131.08560	28.0
133.06514	12.9
133.10162	17.1
135.08043	38.8
135.11670	7.1
137.05989	9.4
137.09610	16.5
143.08536	20.2
145.08044	5.9
145.10121	20.0
147.08055	9.2
147.11681	25.4
149.09581	18.5
153.09113	51.4
155.07111	8.7
155.08536	12.1
156.71700	6.4
157.10153	15.4
159.08080	7.7
159.11713	13.5
161.09659	15.4
163.11105	10.6
165.06967	8.0
165.09134	86.3
169.10107	15.1
171.11708	9.1
173.09592	11.1
181.10136	8.4
183.06584	8.3
183.11728	8.1
186.11797	5.9
187.11171	16.2
191.10670	19.8
195.11734	14.6
197.13339	15.0
199.14906	10.2
203.10660	6.8
203.14261	6.3
209.13382	6.5
211.14783	9.1
213.12897	7.3
215.14362	25.4
237.16428	29.9
239.17975	42.2
247.14595	6.7
255.17392	40.5
257.19025	17.1
261.14777	48.4
265.15878	24.0
273.18521	17.1
283.16876	77.3
301.18021	56.3
311.16382	48.6
319.19083	70.5
325.12701	30.7
326.15897	5.9
329.17526	36.3
337.20001	50.3
347.18515	76.3
365.19589	100.0
383.16489	56.4
383.20932	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	383.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47471	0.7
55.05504	2.8
56.54290	0.8
61.02899	0.7
61.70827	0.8
62.03925	0.8
67.05518	3.8
68.05026	1.3
69.03433	0.9
69.07051	1.4
69.98405	3.8
76.04833	0.8
78.18734	0.7
79.05501	4.4
80.05023	4.7
81.03407	1.3
81.07055	4.2
82.06596	1.0
83.08601	1.1
84.08139	0.9
85.02922	1.1
88.03983	1.8
91.05495	3.9
91.06028	0.7
93.07051	6.3
95.04974	1.4
95.08614	3.8
96.08142	1.5
97.06517	1.2
97.10129	1.1
98.06049	9.4
98.20921	1.2
99.76494	0.8
103.95515	0.8
105.07040	2.3
107.08604	4.4
108.08109	2.8
108.58845	0.7
109.10150	3.6
110.09688	2.4
114.05510	3.8
115.05424	2.1
116.07110	1.9
117.07023	2.8
118.06550	37.5
119.08560	1.5
121.10114	2.2
122.09671	2.4
123.11732	1.9
124.11261	1.2
124.39764	0.7
130.06546	13.4
131.08604	0.8
132.08089	1.5
133.10118	1.6
135.11691	2.1
138.05507	1.9
138.12770	0.8
142.06529	2.9
143.07332	4.8
143.08252	0.8
144.04420	0.9
144.08093	21.6
144.09222	1.1
145.10118	1.4
146.06018	92.6
147.06317	1.0
147.11682	1.8
149.09589	0.8
150.12802	4.8
152.14351	89.4
153.14627	1.0
156.08150	1.0
157.10081	0.9
160.07640	1.0
161.13290	1.4
164.14349	1.2
165.07857	1.6
166.15863	0.7
170.06017	6.9
170.09714	1.0
178.15900	2.3
184.11247	2.1
188.07076	71.2
189.07428	1.1
196.16980	48.4
203.18092	1.1
208.13327	2.9
210.14883	9.9
241.91927	0.9
247.64296	0.8
254.17545	14.0
267.11298	2.6
339.20688	44.8
340.21063	2.3
365.21201	1.2
383.23294	100.0
384.23724	4.4
388.88950	0.7
405.56644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.9
56.05032	1.3
57.03449	0.9
67.05501	4.0
69.03430	1.1
69.07060	2.2
70.06566	0.8
71.43134	1.2
71.43480	1.1
79.05495	3.9
80.05009	1.8
81.03406	1.9
81.07075	4.5
82.06577	1.8
83.08611	1.2
84.30306	0.7
85.02895	1.8
86.06059	1.5
91.05476	2.7
93.07047	7.6
94.06531	1.0
95.04896	0.7
95.08618	3.5
96.08118	1.7
97.02814	0.8
98.06084	1.5
98.09746	1.0
105.07021	2.6
107.08596	4.8
108.08120	2.2
109.06528	1.2
109.08907	0.9
109.10152	2.1
110.09680	5.3
111.07965	0.8
114.05518	3.4
115.05422	2.3
116.07107	1.2
117.07027	2.9
118.06551	36.3
119.08588	2.5
121.10197	2.3
122.09676	2.1
123.10458	1.7
123.11727	1.7
124.11239	1.3
125.09739	0.8
127.03833	0.9
130.06537	11.0
131.08586	0.8
133.10146	2.4
135.11700	3.2
142.06526	3.6
143.07306	3.2
144.08098	21.9
145.10062	0.9
146.06015	89.1
147.06314	0.9
147.11710	1.3
150.12782	4.8
151.11241	0.9
152.14346	100.0
153.14677	1.3
154.15916	2.2
164.14374	1.5
165.07886	2.3
168.08093	0.9
169.07645	0.7
170.06015	6.2
175.14766	0.9
178.15944	2.0
184.11247	1.8
188.07077	64.5
189.07417	0.9
196.16974	54.4
197.17282	0.9
203.17938	1.6
208.13445	4.3
210.14874	11.6
215.08073	0.8
254.17503	12.1
259.08505	0.9
339.20688	53.0
340.21103	1.7
383.23297	87.6
384.23578	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	383.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	13.6
55.01858	15.2
55.05505	17.7
57.03434	8.4
61.02918	8.2
61.12415	4.5
65.03951	6.3
67.05508	26.8
68.99802	8.0
69.03433	54.5
69.07065	9.7
70.38442	7.9
70.38804	9.1
71.01352	3.7
71.04996	8.9
77.40247	4.5
79.05492	31.3
79.28367	4.1
81.03429	44.7
81.07068	50.9
83.04987	10.3
85.02917	53.3
85.06568	6.2
87.00838	28.2
91.05476	39.3
93.07044	100.0
95.04978	20.9
95.08611	34.4
97.02899	26.9
97.06564	8.7
99.04465	7.3
100.34476	4.3
103.03937	5.9
103.05509	4.8
105.01900	8.7
105.07039	66.1
106.78598	4.0
107.04951	10.9
107.08603	87.3
109.02895	20.7
109.06513	11.5
109.10143	19.2
111.04444	17.8
115.03943	6.5
117.07043	19.6
119.08586	47.1
121.06507	16.7
121.10144	37.4
123.04443	13.7
123.08065	14.4
123.11723	15.7
125.05968	5.6
127.03918	19.7
129.01817	9.4
129.07091	9.0
130.07813	7.7
131.08537	22.0
133.06512	6.6
133.10126	48.7
135.04410	4.0
135.08083	9.2
135.11707	71.3
137.09673	7.9
137.13197	4.3
141.06976	4.3
142.07860	4.0
143.08565	13.8
145.06506	5.3
145.10162	29.3
147.08046	8.0
147.11703	34.4
149.05956	6.2
151.11208	6.2
155.08594	6.5
157.10161	15.3
159.02888	9.3
159.08081	7.2
159.11688	15.2
161.09650	12.2
161.13289	5.2
163.07489	4.6
163.11197	29.7
165.12761	28.0
169.10097	5.0
171.02965	4.6
171.11653	7.5
173.09650	7.6
173.13306	9.9
175.11230	14.5
177.12779	16.8
185.09641	5.3
189.03979	4.8
189.12737	10.2
193.12201	7.3
197.13318	8.1
201.04036	5.8
201.12741	5.7
203.10660	10.2
205.12297	7.4
215.14337	7.3
219.13867	6.5
221.11710	15.7
225.12805	7.2
243.13831	32.7
261.14917	46.2
279.15878	7.4
299.05554	18.9
335.29294	4.6
347.14859	18.2
359.98587	5.2
365.15994	26.2
383.17056	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	383.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18263	4.4
53.03938	7.5
54.97022	4.1
55.01860	10.5
55.05503	15.0
57.03444	9.8
61.02921	7.3
63.00628	4.6
67.05512	30.3
68.99807	11.0
69.03435	76.2
69.07057	11.1
69.87805	24.9
73.02909	6.1
79.05501	26.2
81.03408	18.0
81.07053	39.9
83.04973	13.5
83.08605	13.4
85.02923	30.1
87.00820	22.4
91.05460	33.9
93.07047	85.5
95.04951	11.8
95.08592	22.8
97.02890	27.2
97.06557	6.0
100.11243	16.6
104.01278	4.2
104.02003	4.9
105.01860	7.8
105.07040	100.0
107.04950	9.6
107.08611	51.1
109.02869	8.0
109.06502	11.7
109.10174	6.2
111.04456	28.3
111.05109	5.2
115.03912	6.2
115.05453	7.0
117.07026	17.6
119.08606	42.0
121.06507	18.2
121.10142	20.8
123.08147	6.3
123.11703	15.8
127.03906	5.1
128.06219	4.3
129.01820	5.8
129.05490	5.4
129.06985	14.4
130.07779	6.5
131.08551	27.6
133.06474	7.1
133.10152	30.2
135.08076	9.4
135.11688	40.9
137.05948	5.3
137.13258	5.1
142.07744	7.9
143.08542	14.0
145.06541	5.6
145.10120	39.9
147.08044	22.7
147.11678	21.2
149.09616	21.5
149.13199	5.3
151.11241	10.0
155.08543	10.3
157.10115	18.6
159.02873	6.1
159.08025	10.7
159.11702	18.7
161.09598	9.8
161.13263	15.7
163.11191	90.9
165.12822	8.6
171.11751	7.3
173.09663	9.6
175.11188	18.0
177.09138	6.3
177.12816	27.0
179.10583	6.2
182.15451	5.1
185.09622	6.8
187.11143	8.5
189.12750	16.3
197.13199	6.9
201.03909	21.6
201.12802	8.8
203.10674	7.4
203.14371	6.2
205.12155	13.5
207.13765	7.8
213.12730	5.5
215.14316	12.3
219.13882	9.3
221.15335	12.5
223.13460	6.7
225.12759	6.3
231.13858	7.4
233.15370	6.9
237.14795	5.5
243.13843	39.9
261.14847	58.9
279.16037	23.5
310.75635	6.4
347.14835	20.3
365.15924	29.9
383.16745	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
70.25703	6.6
88.70432	1.7
110.03753	2.0
133.38248	1.8
153.01837	2.8
161.02338	6.5
162.03139	2.3
163.03888	6.8
177.62910	1.7
178.78694	1.7
179.03450	2.0
183.02940	3.4
189.01843	16.1
191.03371	16.4
207.02962	2.3
217.01331	29.8
218.02226	9.2
219.02888	7.8
221.04524	7.4
234.01640	6.9
235.02306	2.2
245.00835	21.7
247.02440	5.6
249.03966	67.7
250.04485	2.3
261.03998	3.6
263.01859	3.2
273.00311	22.3
274.01035	6.5
275.01913	3.8
275.69409	2.0
277.03491	14.7
289.03430	2.5
297.62369	2.1
300.99805	13.2
305.02963	5.1
333.02231	4.3
334.02734	2.4
351.03473	100.0
352.03769	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	383.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.1
55.01866	6.5
56.42815	4.3
56.96566	21.3
57.03425	7.6
61.02927	11.3
62.44211	4.5
62.70646	5.2
67.05513	5.7
69.03443	39.0
69.31225	24.9
69.31650	13.7
70.06579	15.1
73.02911	13.0
80.11559	5.2
81.03399	16.2
82.99851	5.2
83.04997	7.9
84.04499	8.6
85.02910	62.3
91.05446	7.2
94.01863	4.5
95.04954	4.5
97.02905	38.3
98.97576	46.8
99.04432	4.7
101.00897	49.8
109.02858	14.4
110.07153	4.5
110.97553	12.2
113.00868	12.3
116.98608	18.4
118.06483	6.2
119.01931	100.0
119.04945	5.1
121.02869	69.2
127.02419	8.5
127.03935	22.4
127.57061	4.5
128.98596	11.5
130.06540	54.5
131.00204	4.7
131.01945	29.5
132.04474	10.3
134.05948	5.1
136.06171	5.3
136.07573	6.3
137.02930	14.0
137.06104	4.4
141.04070	4.1
143.00131	5.3
143.01907	22.1
143.03394	5.1
144.08099	16.1
145.03517	37.3
145.04639	5.7
145.04999	5.9
145.07597	10.6
146.05977	10.0
148.03838	4.5
148.07527	9.9
153.01842	28.5
155.01862	26.8
157.03473	27.2
157.07634	47.0
158.06030	56.2
158.99640	11.8
160.07596	11.9
161.01115	7.4
161.01593	6.8
161.02959	60.1
162.05504	19.5
163.03979	7.2
167.01955	7.9
169.07600	7.0
170.06183	7.3
171.09122	6.9
172.07553	12.1
173.02998	31.4
175.04497	8.2
175.08665	54.0
177.00685	9.0
179.01933	29.5
183.09143	13.4
185.02937	39.8
185.07080	9.3
186.05528	15.3
187.04462	16.0
197.02969	80.7
198.03127	5.4
199.08727	7.3
200.07123	9.7
201.00691	5.9
203.02022	8.1
203.03986	14.3
203.08167	79.0
204.06558	17.2
209.07072	4.8
215.04002	31.7
217.09758	28.8
219.01622	8.8
221.00948	5.7
221.03011	62.8
221.04985	10.7
221.09198	63.1
223.01254	4.7
227.03896	12.8
231.07529	6.0
233.02968	7.6
237.02791	16.2
238.04221	6.5
239.04111	35.2
245.02921	21.7
245.05084	70.3
245.09218	18.0
246.05606	5.9
247.04573	10.9
251.04106	4.8
257.09225	5.7
258.94150	6.3
263.03995	19.5
263.06235	12.9
263.10291	29.1
265.05524	14.8
272.06589	11.6
275.04050	30.4
281.05112	21.6
293.05014	7.7
305.04962	8.2
323.06161	57.3
329.11273	5.9
341.07193	42.5
347.12265	6.5
348.10757	6.0
359.08057	6.6
359.33289	5.7
365.13351	22.6
383.08191	73.0
383.14182	13.3
383.18872	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	383.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
57.03425	2.6
61.02904	2.2
65.59173	1.3
66.13631	1.4
69.03438	7.9
70.09563	6.9
73.02893	2.4
74.02430	2.5
78.95260	1.3
81.03431	8.6
85.02434	2.3
85.02907	29.0
94.06543	3.0
97.02882	9.8
98.97585	1.6
99.04472	1.5
101.00871	1.6
109.02872	4.4
118.06523	6.0
127.03899	4.6
130.06529	69.4
132.04448	21.5
132.08081	4.9
142.06549	1.6
143.07291	4.1
144.08076	27.4
145.05074	1.9
145.07597	20.5
146.06000	13.0
148.07529	4.6
154.06500	5.1
156.06824	2.5
156.08107	4.2
157.07616	66.0
158.06021	51.1
158.08009	2.2
159.09195	8.7
160.07565	4.6
166.06563	1.9
169.07590	4.7
170.06044	2.6
170.08417	3.7
171.09180	7.7
172.07579	12.6
173.07146	1.6
174.05490	7.3
175.08673	58.7
176.07101	2.3
181.07588	4.8
182.08318	3.6
183.09166	15.7
184.07613	2.4
185.07085	13.9
186.05568	4.7
186.07835	3.3
187.08649	2.7
188.07048	3.3
190.08542	1.7
196.07594	2.6
197.03088	1.6
198.05487	2.3
199.08699	10.9
200.07079	18.5
201.10173	1.9
203.08154	100.0
204.06670	3.3
207.09155	2.2
209.07219	8.6
211.08623	1.9
215.08157	4.8
216.08908	4.1
217.09729	30.0
221.09189	48.7
227.08133	13.0
228.06580	4.0
231.07629	7.4
233.09158	1.5
243.07674	2.5
245.09184	21.1
251.07695	1.6
256.09647	1.8
257.09164	1.6
263.10281	47.4
269.09412	3.7
299.10260	5.8
301.11679	2.3
329.11249	3.0
347.12231	9.8
348.10730	8.9
365.13440	30.8
383.14490	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1709
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
50.98554	1.6
52.52908	1.7
55.97436	1.6
56.39213	1.8
57.07092	2.3
67.05509	2.1
69.07070	3.4
70.67696	6.0
72.04510	9.9
73.02920	3.2
85.02906	5.4
85.06537	5.0
86.09679	2.2
86.92699	1.8
90.05556	63.9
95.04955	4.2
98.02414	10.0
103.07587	4.8
116.03470	7.4
124.07584	11.3
142.08693	2.8
174.11365	3.0
184.09724	9.8
202.10754	22.0
220.11806	100.0
265.41452	1.8
313.15009	1.8
368.61365	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27345	0.2
56.96303	0.4
56.96568	7.2
71.32051	0.3
71.32381	0.3
71.95262	2.5
98.97586	100.0
99.97913	0.6
116.98624	46.8
134.99661	12.8
140.00220	0.9
153.00652	0.5
155.72978	0.3
158.01276	0.3
159.15036	0.3
174.97644	0.4
181.97394	0.4
192.98964	0.3
216.98775	1.1
219.01938	0.3
234.99857	1.4
240.98639	5.3
241.98920	0.5
257.64432	0.2
258.99774	71.9
259.99957	2.6
261.00049	0.4
261.03088	0.9
274.97617	0.5
277.00824	71.1
278.01044	1.9
282.01392	1.1
282.99896	2.0
295.01843	0.5
298.97760	0.3
300.02411	1.7
301.00854	1.9
303.00632	0.3
317.99002	0.4
334.92471	0.4
359.00150	0.3
360.00034	0.5
379.11530	0.3
383.00027	1.5
391.16891	0.3
401.01047	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	381.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.4
55.01875	12.0
55.05514	33.6
57.03436	12.4
57.07078	7.1
61.02931	5.2
67.05518	46.5
69.03437	36.4
69.07082	26.0
71.04993	12.6
71.51871	5.2
73.02921	6.8
79.05493	36.2
79.39901	3.8
81.03429	23.4
81.07064	81.1
83.04990	32.4
83.08640	6.9
85.02917	42.0
85.06586	8.1
91.05496	37.4
93.07052	79.7
95.04972	20.9
95.08618	100.0
97.02921	21.3
97.06554	9.3
97.10189	5.8
99.04453	16.2
103.04005	4.5
105.07042	67.0
107.04986	7.2
107.08598	70.0
107.67369	3.7
109.02844	6.3
109.06509	15.7
109.10165	49.5
111.04441	6.9
111.08106	11.8
113.05985	6.1
113.81733	3.8
117.07055	13.4
117.88060	4.0
119.08592	57.6
121.02877	8.0
121.06506	12.2
121.10152	57.4
123.04405	15.2
123.08070	13.0
123.11734	14.1
125.06020	5.6
125.09662	5.1
127.03931	14.3
129.07007	5.9
131.08559	24.0
133.10132	40.0
135.08044	13.8
135.11696	39.0
137.05998	6.4
137.09578	5.6
137.13248	6.5
142.07716	4.9
143.08572	13.3
145.10150	47.7
147.08031	7.7
147.11703	19.2
147.47612	4.5
149.05945	4.9
149.09651	5.9
149.13264	14.2
151.07535	9.7
151.11241	8.4
155.08583	10.7
157.10164	11.8
159.08092	9.6
159.11688	34.3
161.09674	5.1
161.13280	32.8
163.11192	13.6
163.14841	14.1
169.10094	8.0
171.11691	10.3
173.13252	13.1
175.11172	6.8
175.14899	5.9
177.12813	5.6
179.07010	6.1
189.16322	5.7
191.17967	47.1
199.14757	5.1
201.12735	9.6
201.16435	35.7
219.13901	5.1
219.17432	25.3
256.18991	4.9
261.12643	6.5
302.67490	4.4
309.18488	5.0
327.19882	5.2
342.10995	4.5
345.20724	5.2
363.21799	5.0
381.09647	11.5
381.14569	7.8
381.22916	42.7
400.22705	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10143	0.9
53.03944	2.2
55.05277	1.3
55.05519	16.8
57.06839	1.1
57.07080	18.0
65.03947	1.9
66.25761	0.8
67.05508	29.1
69.07072	23.7
69.86052	3.5
71.08633	14.2
72.13485	0.9
74.32999	0.9
79.05492	15.6
81.07061	63.6
83.08623	16.5
85.10194	6.5
91.05479	22.1
93.07046	21.7
95.04988	2.5
95.08613	41.2
96.23922	0.9
97.10174	13.8
98.21426	1.2
101.47571	0.9
105.07037	38.7
107.08601	20.7
107.18070	0.9
109.06525	1.1
109.10162	23.2
111.11714	8.3
115.05451	1.7
116.06263	1.4
117.07020	20.5
119.08590	20.4
121.10153	8.8
123.11710	9.8
125.13297	2.1
128.06203	1.9
129.07034	3.9
130.07793	4.0
130.47508	1.1
131.08571	23.0
133.10136	32.5
135.11697	7.5
137.13260	3.5
139.14923	1.1
142.07753	2.4
143.08578	7.4
144.09349	2.5
145.10132	52.3
146.10391	1.0
147.10515	1.3
147.11702	25.7
149.13269	6.7
151.14862	3.2
157.10130	10.7
158.10852	1.3
159.11700	41.1
161.13266	9.2
163.14844	3.5
165.16286	1.6
171.11771	5.6
173.13280	13.9
175.11134	1.0
175.14848	2.1
177.16397	2.9
179.17876	1.0
185.13306	6.5
187.14844	4.2
189.16409	1.5
193.19647	1.1
199.14841	7.8
201.16440	4.3
203.17961	1.0
207.21048	1.3
213.16376	6.2
215.17982	2.6
221.22586	1.2
227.18010	4.8
231.34312	0.9
233.22617	4.4
241.19571	6.2
247.24142	1.6
255.21022	4.5
261.25775	2.6
269.22604	1.3
273.25891	2.0
275.27435	1.4
283.24426	1.2
285.25925	1.0
287.27231	1.4
297.25745	2.4
299.27603	1.2
301.28873	1.1
313.28967	1.2
381.35178	100.0
382.35428	3.5
387.97498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34898	2.0
53.03939	2.9
55.05507	5.3
59.05008	7.3
60.90041	1.9
61.01114	2.2
61.02916	6.2
65.09630	2.0
67.05525	4.7
69.03447	5.0
69.68136	4.5
69.68551	10.8
70.06583	3.7
71.05004	4.0
72.12160	2.2
75.40814	2.6
79.05498	9.4
81.07072	16.6
82.28920	2.1
83.08617	4.9
85.02912	11.8
85.06558	16.6
86.09706	2.8
91.05463	8.9
93.07042	6.9
95.08597	8.5
97.02870	3.3
98.97595	4.5
99.08170	2.5
104.10763	2.4
105.07022	12.1
107.08601	82.8
108.08790	1.9
109.06512	8.4
109.10162	6.6
113.05974	3.1
116.06904	2.3
119.08587	6.8
121.10149	56.2
123.08091	12.9
123.11717	39.6
125.09641	51.4
135.08047	4.1
137.09616	26.4
147.10533	2.8
147.11697	53.2
163.07539	3.1
165.12767	90.8
166.13080	2.7
183.13820	100.0
184.07353	5.3
201.14893	36.7
214.08699	2.9
214.58745	4.2
381.15192	2.7
403.15408	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	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26567	5.2
71.41911	8.6
95.82076	5.3
143.28151	5.2
201.01666	7.2
219.02692	5.9
223.95094	5.0
231.84802	5.1
381.07928	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
50.84534	3.7
54.68037	4.1
54.68307	3.8
69.25295	42.2
69.25642	6.9
86.92304	3.5
98.21497	9.4
108.83523	4.7
144.84402	4.6
201.01682	7.4
381.07977	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	381.1544
Annotation	Polyandrol
Peak:m/z	Relative Intensity
53.03933	11.0
55.01871	17.3
55.05505	10.7
57.03434	8.3
61.02908	3.7
65.03936	6.7
67.05490	17.2
68.99776	10.2
69.03091	4.4
69.03435	68.1
69.07078	4.8
70.06563	6.6
71.01341	4.7
71.04984	6.9
73.02924	9.3
79.05505	42.5
81.03435	29.4
81.07061	30.0
83.04973	13.5
85.02437	4.3
85.02914	47.7
85.06519	3.7
87.00829	30.7
91.05486	74.2
93.06493	6.4
93.07053	100.0
95.04983	25.7
95.08626	21.7
95.09110	3.4
97.02899	27.0
97.06535	9.1
99.04443	8.1
103.05457	8.7
105.01885	9.2
105.07038	93.1
107.04942	15.2
107.08601	36.0
109.02843	9.2
109.06519	7.9
109.10153	8.1
111.04441	12.0
114.95433	3.3
115.03909	8.9
115.05425	7.7
117.07022	26.2
119.04914	8.0
119.08598	44.9
121.06482	17.0
121.10150	27.0
123.04428	10.9
123.08090	5.0
123.11677	5.3
125.02354	5.5
127.03909	15.9
128.06223	16.9
129.01826	5.6
129.07014	23.9
130.07800	8.2
131.08578	51.6
133.06497	16.6
133.10138	38.9
135.08028	11.3
135.11670	6.9
136.49019	3.6
137.05998	6.9
141.06998	10.8
142.07805	19.6
143.08572	43.6
144.09247	3.7
145.06480	12.1
145.10121	73.0
147.08040	15.7
147.11684	16.1
149.06033	4.4
149.09659	21.7
151.07555	5.5
151.11172	5.8
153.01819	11.8
154.07718	5.7
155.08488	10.4
156.09286	5.3
157.06415	6.6
157.10126	27.0
159.02847	9.1
159.08041	15.1
159.11722	32.4
161.05904	4.1
161.09642	31.2
161.13251	6.7
163.11168	18.4
165.07028	10.1
167.08524	8.0
169.10143	11.7
171.08038	9.8
171.11697	13.0
173.09608	12.6
175.07646	4.3
175.11191	25.5
177.09193	5.2
179.10677	4.9
180.09375	9.3
181.10197	6.3
183.11699	6.4
185.09592	12.8
185.13272	10.2
187.11197	8.5
189.03841	4.7
189.12784	6.9
191.10641	8.2
195.11789	20.5
197.09573	7.0
199.11189	8.4
201.03947	16.7
201.09129	8.4
201.12715	4.2
205.12207	7.4
213.12715	21.8
215.10728	5.1
217.12216	14.5
223.11191	13.4
231.13795	11.7
241.12239	22.0
242.53090	3.4
259.13242	28.1
277.14297	16.7
312.99979	3.8
345.13226	7.9
358.98523	4.4
363.14471	12.9
381.15594	48.6
381.22922	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	381.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	15.0
54.33843	3.4
55.01866	16.6
55.05516	14.8
55.28294	4.0
57.03440	7.7
59.04975	4.5
59.43076	3.7
60.04517	8.2
61.02918	12.0
65.03944	4.5
67.05501	32.5
68.99792	11.8
69.03433	70.7
69.07067	13.1
70.06596	11.3
70.17609	9.5
70.18004	9.0
71.01360	6.1
71.04977	10.5
72.08138	6.0
73.02901	4.4
75.75480	3.8
79.05495	27.5
81.03425	55.3
81.07068	43.6
83.04973	13.3
84.08109	7.0
85.02904	54.3
86.09700	7.1
87.00831	35.1
87.04443	7.2
91.05482	53.0
93.07041	52.7
95.04959	31.3
95.08614	11.9
97.02900	39.7
97.06533	13.0
98.21549	4.8
99.04440	9.5
103.05470	5.2
105.01843	12.7
105.07040	100.0
107.04961	18.7
107.08597	46.3
109.02866	25.7
109.06522	18.9
109.10168	16.1
111.04449	14.1
112.52036	3.8
113.06023	3.6
115.03937	6.2
115.05477	6.5
116.06180	4.7
116.98634	3.8
117.06984	18.8
119.04958	10.1
119.08601	33.1
121.06518	30.6
121.10156	19.2
123.04448	14.0
123.08064	6.7
123.11706	32.2
125.02338	4.5
125.05985	8.5
125.09541	4.7
127.03899	33.0
128.06235	11.3
129.01874	7.5
129.07008	12.2
130.07765	7.1
131.05000	5.0
131.08578	51.9
133.06487	15.1
133.10141	85.0
135.08067	22.6
135.11687	17.2
137.06004	4.4
141.06967	8.4
142.07880	9.8
143.08553	22.7
145.06511	19.1
145.10133	56.9
147.04430	17.8
147.08072	19.7
147.11678	15.4
149.09615	33.2
151.07559	7.1
151.11176	37.5
152.07176	4.7
155.08549	6.0
157.10107	23.9
158.07249	4.3
159.02904	10.9
159.08063	12.1
159.11720	22.0
160.08932	4.6
161.05997	8.3
161.09627	25.9
161.13232	5.3
163.03963	4.9
163.11195	24.1
165.03726	4.5
165.09135	6.4
167.10774	8.1
169.10017	8.0
170.41656	4.4
171.08054	13.1
171.11707	8.6
172.08844	5.0
173.09604	26.2
175.07555	11.1
175.11220	32.8
177.12711	10.6
179.08510	4.9
181.10124	5.5
183.08049	6.1
185.09604	4.8
187.11182	24.3
189.12711	7.9
191.10657	9.9
194.08134	5.0
195.11720	5.7
197.09532	6.6
198.10506	7.4
199.11192	21.8
201.12602	4.5
205.12210	5.4
213.03831	7.4
213.12753	12.6
215.10796	5.0
217.12178	9.1
219.06554	8.5
223.11153	13.7
231.04961	7.7
241.12247	31.4
259.13422	21.4
260.98322	7.6
277.03348	5.8
277.14291	10.8
278.03119	20.0
295.15445	8.5
337.10425	9.2
345.13464	5.3
363.01526	9.1
363.14841	12.4
381.11310	4.0
381.15485	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.2
56.96555	2.0
62.06091	22.5
69.03436	1.5
69.75264	2.5
69.75674	3.7
70.06596	66.0
81.07077	1.1
81.16625	1.0
84.08142	2.2
85.02901	3.7
90.05549	3.3
97.02882	3.2
98.21485	1.2
98.97583	2.9
109.02843	1.6
112.07613	67.6
116.07088	14.2
116.55212	1.0
117.98032	0.9
140.07089	9.6
153.01801	2.2
158.08134	100.0
158.99634	1.1
177.00745	1.5
184.09801	1.0
188.06125	1.1
219.01767	1.4
220.11797	4.1
232.04831	1.3
237.02859	1.0
237.73828	1.0
297.12527	1.1
320.13434	1.2
334.95111	1.1
381.07916	1.7
404.87033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	11.9
61.02915	9.4
70.63544	17.3
70.63945	18.8
72.33466	9.0
84.50393	7.8
85.02863	27.2
91.13303	8.4
97.02926	9.8
98.97570	15.3
101.00871	38.0
103.00637	11.5
103.07383	8.6
112.89629	8.5
113.00871	18.0
119.01915	47.9
121.01638	10.7
121.02902	11.5
125.00959	10.1
131.01898	36.6
143.01903	22.2
145.03448	13.5
151.78479	9.6
155.01889	31.3
157.03455	27.5
158.99718	11.6
161.02922	25.9
169.03419	10.4
171.01428	21.2
173.02922	28.0
177.02217	8.3
185.02977	15.7
189.00667	21.8
189.02364	18.8
195.01378	40.9
195.13731	11.1
197.02837	11.7
203.02040	11.2
207.01553	18.0
213.02472	62.7
221.02954	13.5
221.04982	11.4
225.02483	23.9
231.03506	40.4
233.01453	16.3
239.03963	13.6
249.02811	12.2
257.05060	19.3
275.02457	94.0
275.06015	30.9
287.02652	11.4
305.03357	21.6
317.03726	18.5
317.07047	10.3
333.06686	17.4
377.04935	71.9
377.09186	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	377.146
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03943	2.8
55.01867	1.1
56.60987	0.6
57.03438	8.1
59.04995	0.8
61.02932	2.9
62.59063	0.5
67.05516	0.6
69.03436	14.3
69.07047	0.6
70.06580	1.4
71.01331	2.0
71.05006	3.5
71.05298	0.5
71.05535	1.0
73.02900	2.6
75.04457	1.9
81.03435	4.4
81.07040	0.7
87.04449	1.1
91.05466	1.4
97.65208	0.6
99.04451	5.9
103.05454	0.7
117.05497	1.5
120.08060	1.0
121.06482	1.1
137.05959	1.2
145.07600	2.5
149.05984	0.8
157.06390	0.9
157.07614	0.8
170.07118	1.8
171.11925	0.6
172.08719	36.8
173.08997	0.8
190.09752	1.6
197.12958	1.1
198.06651	8.2
200.08188	6.4
202.37108	0.6
209.85016	0.5
216.05640	1.1
216.07704	18.3
218.09326	0.7
235.43370	0.6
243.08797	79.1
244.07037	1.1
244.09190	0.9
359.13589	4.2
377.14594	100.0
378.15057	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	378.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.3
58.58670	6.9
66.07893	5.4
69.03436	11.7
71.12675	17.0
72.08140	12.4
81.03393	7.4
85.02908	22.8
95.04964	21.9
97.02903	12.2
121.02971	5.9
123.04482	21.7
140.04706	91.7
145.05038	10.4
153.01889	12.6
155.07030	50.1
165.89345	6.2
167.07050	53.3
173.08147	6.7
181.04985	16.5
199.06042	100.0
202.29106	6.6
234.99028	17.2
254.05450	6.9
289.03738	7.3
317.47272	5.7
378.02228	11.8
380.81415	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	378.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38947	0.7
53.50661	0.7
55.05511	7.0
57.03421	0.9
57.07076	4.8
67.05496	2.4
69.03433	1.2
69.07079	1.0
69.60465	1.5
69.60867	3.6
79.05507	1.9
81.07056	1.9
83.04994	4.2
85.02899	1.7
85.06547	2.2
91.05492	1.7
92.79952	0.9
93.07029	5.3
95.05009	1.4
95.08592	6.0
97.02900	1.0
97.06503	1.2
105.07057	1.8
107.08613	8.8
109.06499	2.2
109.10165	1.3
111.04449	47.8
111.08076	2.5
117.07029	0.9
119.08584	1.5
121.06488	1.6
121.10201	0.8
125.06006	12.9
127.07565	1.5
135.08073	6.6
135.11713	11.4
139.07570	2.2
145.10130	6.3
153.12770	2.9
162.13579	1.0
163.11198	13.1
180.14775	1.0
181.12245	100.0
182.12616	1.6
199.13304	34.5
200.13899	0.9
307.11108	1.4
379.20078	3.4
381.71097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07882	2.3
55.01870	3.9
57.20128	2.4
61.02921	2.9
67.05518	12.2
68.15536	2.1
69.03430	3.7
69.32441	16.1
69.32858	5.2
79.05500	3.4
81.03391	3.0
81.07048	11.4
85.02905	13.0
93.07045	4.3
95.08602	8.6
97.02902	5.5
107.08595	4.1
109.02873	2.3
109.10160	61.1
121.10149	3.1
125.06012	7.1
137.09621	100.0
155.10663	33.1
156.05826	2.5
165.09128	59.8
183.10165	36.7
201.11243	90.5
202.02553	2.4
227.10037	2.6
266.24072	2.5
288.58646	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	374.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05484	0.5
63.84908	0.3
68.94370	0.3
69.38898	2.6
70.06588	0.4
70.22292	0.3
80.50720	0.3
82.51129	0.3
86.09660	0.6
91.05490	0.3
98.98466	2.9
100.11236	0.4
105.27207	0.4
106.68031	0.3
107.08606	0.4
111.04443	0.4
118.06546	4.9
124.99114	0.6
125.00011	9.4
132.08083	1.5
133.08882	0.6
137.05971	0.6
144.08080	7.7
146.09622	1.1
151.03900	0.9
158.09648	3.3
159.10460	0.6
160.11247	0.5
162.09138	2.5
172.11198	2.3
176.10728	1.9
176.14346	17.4
177.09151	0.6
177.11499	0.8
177.14661	0.4
186.12764	0.3
190.12285	1.3
194.42326	0.3
202.15918	46.8
203.16298	1.0
211.15228	0.5
220.16971	100.0
221.17427	1.7
300.13574	9.0
300.16803	0.6
314.12195	0.4
356.16254	0.6
374.17334	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	375.1653
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
52.27306	0.7
53.03928	0.7
57.03438	1.4
61.02913	1.4
62.66431	0.8
67.05518	1.1
69.03445	4.1
69.40981	5.9
71.04990	0.8
73.02921	0.9
74.48990	0.7
75.20271	0.7
79.05497	2.6
81.03405	1.6
81.07075	0.9
83.05008	1.0
85.02913	12.9
86.09702	2.1
91.05479	8.9
93.07060	4.5
95.08626	1.2
97.02888	2.7
99.04414	0.8
100.23778	0.8
105.07044	8.1
107.08607	11.9
109.02890	1.8
113.35046	0.8
119.08593	23.5
121.06631	0.9
121.10172	7.9
123.08099	1.8
127.03920	2.8
131.08577	8.2
133.10126	2.7
135.08080	2.9
137.05965	1.0
145.04962	1.4
147.08054	7.9
149.09637	10.0
153.09108	1.3
159.08119	1.7
165.09120	11.0
167.10669	3.6
169.08665	0.8
177.09106	10.0
181.28067	0.8
186.89485	0.9
195.08412	1.0
195.10197	14.6
213.11243	100.0
214.11699	1.0
228.71657	0.7
297.20679	0.8
368.22610	0.8
375.12457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2017
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
53.03945	5.0
55.01855	7.3
55.05503	13.6
57.07087	5.4
59.13064	4.3
59.57731	4.0
61.46498	4.0
67.05494	12.5
69.03428	20.2
69.07066	18.8
71.04982	7.7
71.51263	4.5
71.51651	5.2
79.05527	22.7
79.05954	5.7
81.03423	12.0
81.07066	34.3
83.08611	7.2
85.02898	55.3
85.06546	100.0
87.04461	5.7
91.05476	11.9
93.07040	35.9
95.08607	29.4
97.02892	21.9
97.06538	24.0
97.10177	8.1
99.08099	16.0
105.07017	14.5
107.08593	32.3
109.02880	13.0
109.06519	5.1
109.10172	13.8
111.08105	6.2
115.37070	4.6
119.08613	15.1
121.06571	5.0
121.10151	57.6
123.04418	11.2
123.11681	5.2
125.09592	4.7
127.03917	12.6
128.06223	4.3
133.10141	7.2
135.08015	4.6
135.11716	11.8
137.05966	8.0
137.13257	7.6
145.10149	5.8
149.09656	5.1
149.13234	22.8
153.12750	6.5
159.11681	9.8
167.07088	9.5
167.14290	8.8
169.83850	4.6
177.12665	23.9
177.16402	30.3
195.13817	51.7
195.17435	14.3
213.05406	9.7
213.14862	18.9
213.18497	18.3
264.32349	4.3
283.09512	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	375.2379
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03952	5.0
55.01878	7.4
55.05516	23.6
57.03439	10.6
57.07073	4.8
59.04990	3.5
61.02930	12.7
67.05501	9.9
68.91451	1.6
69.02631	1.5
69.03435	38.0
69.07073	38.4
69.88445	6.3
71.04996	11.8
73.02922	4.8
77.18833	1.9
79.05505	7.2
79.39944	1.6
81.03429	16.2
81.07060	30.8
83.01340	1.7
83.04996	11.8
83.08635	9.5
85.02913	77.4
85.06071	2.5
85.06551	25.9
87.04474	5.9
91.03954	3.3
91.05470	3.8
93.07056	15.6
93.85727	1.6
95.04996	2.5
95.08614	45.0
97.02895	27.9
97.06547	7.4
97.10183	12.9
99.04456	6.0
99.08108	24.6
105.07050	4.6
107.08612	23.3
109.02898	10.9
109.10165	20.2
111.08089	3.7
111.11724	8.0
113.09644	8.4
115.03918	1.8
115.09148	1.5
119.08569	2.6
121.10155	37.7
123.04466	2.8
123.08081	1.6
123.11728	11.1
125.09650	8.6
125.13279	2.5
127.03918	17.2
131.08545	2.2
133.10034	2.0
135.03818	1.5
135.11699	20.0
137.13257	19.5
137.88487	1.7
139.11186	10.8
145.04974	15.6
149.13240	5.2
151.14824	4.6
153.12782	11.1
167.06999	1.8
177.16403	100.0
195.17464	39.8
213.05463	1.8
213.18495	45.8
265.08398	1.6
366.41455	1.7
375.23743	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	375.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.8
55.05520	15.7
57.07091	4.5
67.05511	33.8
69.07066	18.9
71.51366	4.6
79.05495	38.9
81.03404	4.0
81.07061	57.0
83.04954	5.5
83.08624	4.9
91.05488	63.7
93.07042	74.7
93.87965	3.7
95.04968	42.1
95.08617	50.1
97.06533	11.7
103.05473	7.1
105.04568	5.3
105.07035	100.0
107.08598	43.6
109.06514	9.6
109.10162	28.1
115.05449	8.3
117.07012	22.8
119.06048	4.2
119.08592	90.4
121.06503	17.4
121.10145	69.9
123.04426	3.3
123.08075	7.9
123.11693	6.0
128.06244	10.8
129.07010	18.8
130.07803	8.1
131.08577	47.5
133.10149	47.3
135.08020	4.4
135.11720	21.2
141.06967	9.4
142.07820	21.0
143.08577	33.9
144.09360	8.5
145.10126	74.4
147.11697	24.0
153.06998	3.6
155.08557	14.9
156.09357	10.7
157.10149	48.8
158.10925	9.0
159.08075	6.4
159.11728	33.9
161.09619	11.6
161.13287	6.4
167.08586	5.0
168.09381	6.0
169.10173	18.2
171.11702	26.7
173.13239	22.5
175.11266	5.8
175.14876	9.6
179.08643	6.6
181.10120	9.7
183.11667	12.5
185.13286	11.3
187.11130	9.0
187.14864	20.9
193.10246	4.4
194.10950	5.5
195.11732	9.8
197.13237	12.3
199.14803	10.3
201.12622	3.7
201.16432	9.4
207.11629	6.8
209.13287	12.2
211.14796	8.1
219.11620	4.8
221.13319	3.5
223.14850	6.6
225.16330	4.7
235.14854	5.3
238.50023	3.9
239.17944	5.3
251.17465	4.0
253.19386	5.2
265.19519	4.0
315.21674	3.4
319.20792	4.1
357.25891	4.2
375.19272	3.5
375.26727	42.8
375.36447	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	6.7
61.02929	3.1
67.05515	2.5
69.03423	3.9
69.83577	11.3
70.06599	34.7
72.93792	2.1
74.16615	2.1
75.12057	2.0
81.03420	3.2
84.04489	3.1
84.96027	2.4
85.02904	13.1
86.09700	2.6
91.05485	6.5
97.02893	5.3
98.97593	13.8
108.08041	2.2
112.07605	12.0
113.07180	2.2
116.98608	4.3
119.04920	18.7
123.04430	3.0
124.47576	2.3
138.05568	2.7
147.04424	100.0
153.01897	12.7
170.02672	2.8
184.00444	2.6
185.09264	2.9
186.02162	6.3
195.12277	5.4
204.03236	4.0
211.11351	2.3
212.05623	3.0
212.09210	5.2
212.14720	3.0
213.04320	4.3
224.04005	2.3
228.03157	7.2
231.05417	5.8
240.03259	4.0
259.12930	2.9
272.01938	2.9
273.06491	3.4
330.06262	15.7
374.05460	15.2
374.09601	2.0
374.15396	7.2
375.09555	5.0
393.10602	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	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58752	1.3
53.03942	2.8
55.01865	3.6
60.01087	1.3
61.02926	2.2
61.96447	1.8
65.03943	2.4
69.03435	15.7
69.40958	5.4
69.41384	4.7
71.04996	1.7
73.02913	2.4
75.72070	1.4
79.38447	1.4
81.03429	12.9
85.02913	45.4
87.00843	17.4
91.05489	100.0
97.02911	14.0
98.20870	3.2
99.04459	6.7
105.01870	23.7
109.02876	10.0
117.01804	2.1
127.03928	31.0
129.07071	1.4
129.18958	1.3
133.06509	1.9
145.04988	15.4
145.06461	2.3
157.06439	1.6
159.02933	7.8
171.08026	2.0
189.03979	1.5
195.06563	1.5
199.07593	2.2
213.03891	1.9
231.04988	8.8
252.58778	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	373.222
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
53.16434	10.6
67.05492	32.7
69.37368	10.8
70.77197	31.1
81.07040	18.9
83.04976	12.4
86.74061	10.6
95.08584	28.2
107.08592	24.0
109.10174	98.3
119.08632	24.7
121.10128	16.1
123.08057	17.3
133.10143	18.3
135.11685	100.0
151.14804	18.4
175.14821	42.2
185.79890	11.2
186.69554	11.6
193.15895	87.8
211.16954	67.3
216.68419	11.0
355.32880	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	373.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.3
55.05509	4.6
57.03446	4.1
59.61872	2.4
67.05510	4.7
69.03419	4.8
69.07064	8.0
70.06586	5.9
70.78683	4.9
70.79008	3.4
71.04978	3.3
72.08147	4.7
79.05487	5.7
81.03408	4.9
81.07077	15.6
84.04499	4.9
85.02916	10.0
85.06525	3.3
86.09716	19.8
91.05477	9.2
93.07050	16.3
95.04964	6.9
95.08608	24.1
97.02895	4.4
97.06525	4.9
98.97586	2.5
99.08118	4.5
105.07031	12.9
107.08598	16.2
109.06514	4.9
109.10204	8.9
119.08590	67.0
121.02855	2.7
121.10152	4.1
123.08105	4.3
123.11694	4.7
127.03962	4.0
131.08562	4.4
132.10205	2.7
133.09119	4.9
133.10139	100.0
135.08121	3.3
135.11688	14.8
137.05986	5.0
137.09621	8.9
144.97456	3.0
147.11682	4.3
149.05981	2.7
151.07494	2.7
175.14839	99.4
193.15891	15.9
211.16925	7.6
225.10205	3.1
239.11848	3.1
267.11176	3.4
313.11798	14.7
373.09320	5.9
373.13989	25.2
373.18021	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	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01876	1.6
55.05515	7.4
57.03442	1.2
59.04997	2.4
61.02924	1.5
65.03956	0.6
66.73887	0.5
67.05521	4.8
69.03432	5.5
69.07079	5.0
70.06586	1.8
71.04993	3.5
71.50772	0.6
71.51208	0.7
79.05505	1.9
81.03429	2.5
81.07067	9.7
83.04986	25.4
83.08632	1.0
84.04498	0.8
84.08154	2.4
85.02915	14.2
85.06564	0.7
86.09702	2.3
89.46341	0.6
91.05482	2.6
93.07040	4.2
95.04989	1.5
95.08614	8.2
97.02906	2.0
97.06534	2.2
99.04469	2.4
105.07048	2.4
106.33057	0.6
107.04982	1.1
107.08598	4.0
109.02882	1.4
109.06543	2.6
109.10163	10.5
111.04472	0.6
111.08090	2.6
115.03938	0.7
116.86275	0.6
119.08588	5.7
121.02758	0.6
121.06509	0.8
121.10156	2.2
122.97054	0.7
123.08063	1.4
123.11731	2.3
125.09647	1.8
127.03920	3.9
129.10245	2.5
131.08607	0.8
133.10144	5.7
134.05962	0.9
135.08141	0.7
135.11702	6.0
137.06076	0.9
137.09628	9.6
137.13274	0.8
139.11234	0.8
143.08669	0.7
145.04990	1.9
148.07593	2.1
149.13411	0.7
151.03897	0.7
151.11197	0.6
151.15025	0.6
153.01813	0.7
153.05499	1.0
155.10683	10.5
157.07585	0.8
166.08653	1.2
175.14821	9.8
177.05528	2.0
179.10596	0.7
193.12041	1.5
193.15897	19.0
194.08141	4.3
203.05312	4.1
211.17027	1.1
211.18889	1.1
264.18927	0.6
299.14743	0.8
311.09357	0.8
373.14734	4.2
373.18390	100.0
374.18729	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	373.2377
Annotation	Xysmalogenin
Peak:m/z	Relative Intensity
55.01871	0.8
55.05520	0.8
57.03442	18.0
57.07063	1.4
65.03939	0.9
67.05510	15.2
69.03426	2.0
69.07072	1.1
69.42966	0.5
70.04417	1.1
70.04809	1.2
71.05005	3.0
73.49583	0.5
78.16242	0.5
79.05484	2.0
80.98072	0.5
81.03410	2.2
81.07059	2.7
83.04976	1.2
83.08626	0.7
85.02910	1.0
85.06554	21.9
87.04458	4.4
88.04805	1.3
91.05495	2.3
93.07050	2.1
95.04977	23.5
95.08623	2.0
97.02901	1.8
97.10162	0.8
98.20803	0.7
99.04451	0.6
103.05476	1.0
105.07034	1.9
107.04932	0.6
107.08598	2.1
109.06525	1.0
109.10165	5.2
111.08109	0.6
113.06016	100.0
114.06374	0.6
117.07024	1.7
119.08576	2.0
121.10152	1.7
123.04436	12.4
127.03912	0.7
129.05449	0.6
131.04951	0.8
131.08641	0.8
133.10168	1.4
137.06023	1.2
141.09149	0.5
145.06529	1.9
145.10086	1.1
148.45219	0.6
149.05998	2.5
157.10191	0.6
159.11699	0.7
161.13283	0.5
163.07494	4.1
173.11778	2.1
173.13179	0.7
175.07701	0.6
203.10744	0.6
229.14474	1.1
294.76489	0.5
337.21689	0.8
355.22675	2.7
373.18597	4.4
373.23972	2.5
373.31454	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	11.1
55.01871	3.5
55.05516	18.7
57.03194	2.0
57.03441	24.5
59.04987	3.5
65.03934	2.8
67.05511	84.1
69.03436	51.5
69.07064	3.0
69.22371	15.6
71.04996	9.4
73.02900	4.1
74.97434	1.6
79.05499	5.2
80.20348	1.5
81.03426	59.0
81.07063	15.7
83.04988	24.2
83.08641	8.0
85.02915	19.3
85.06556	3.3
87.04485	3.3
91.05467	4.8
93.07029	5.5
95.04987	1.9
95.08608	7.4
97.02902	29.1
97.10159	4.7
98.20779	3.0
98.65152	1.4
99.04466	11.3
101.02391	2.3
107.08590	3.9
109.02890	17.1
109.10166	76.5
110.60753	1.4
111.04468	10.3
111.08103	2.5
117.12549	1.9
119.08588	8.3
125.09627	6.1
127.03923	22.2
129.05489	7.3
129.07011	1.7
131.08548	1.7
137.09621	3.7
145.04990	2.3
155.10664	16.3
173.04472	5.2
173.11766	46.0
189.11218	8.0
193.10414	1.5
209.11732	3.8
217.87384	1.6
221.64597	1.6
226.12537	1.7
229.14413	9.2
281.13736	2.0
294.23291	1.7
299.14896	14.9
355.17416	4.5
373.18588	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.5
55.01867	2.8
55.05514	14.9
57.03189	1.9
57.03439	21.9
59.05000	3.7
65.03934	1.7
67.05508	74.2
69.03094	2.8
69.03436	44.6
69.07040	2.7
69.32710	12.8
70.66596	1.4
71.01353	1.9
71.04990	9.8
72.04519	2.5
73.02902	1.6
73.04762	5.8
74.58687	1.4
75.04424	1.5
79.05479	4.4
81.03419	53.6
81.07059	14.9
83.01315	1.5
83.04980	19.0
83.08619	7.8
85.02910	22.6
85.06533	1.7
87.04461	3.3
88.02210	6.6
91.05432	4.4
91.05825	4.9
93.05487	2.0
93.07052	4.3
95.04967	2.2
95.08611	6.6
97.02890	23.9
97.10174	6.6
98.21539	3.0
99.04429	10.4
101.02404	2.6
105.07030	2.3
107.08580	4.3
109.02872	10.7
109.10161	68.6
111.04440	11.2
111.08088	2.8
118.18105	1.2
119.08591	6.9
125.09618	6.3
127.03928	19.6
129.05473	8.7
137.09621	4.6
145.04994	2.3
155.10649	13.4
163.13028	1.4
168.77660	1.3
173.04431	4.4
173.11737	48.2
189.11198	8.7
209.11751	3.0
219.69328	1.6
229.14340	9.2
229.87439	1.5
270.97690	2.7
281.13904	1.8
287.00809	5.4
299.14935	10.6
355.17398	3.8
357.06747	5.7
373.18579	100.0
374.18732	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	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.5
61.02930	3.1
67.05506	2.6
69.03429	2.9
69.07057	3.6
69.39852	8.3
69.40253	3.2
71.05003	2.2
79.05495	2.7
81.03419	2.7
81.07057	15.3
85.02905	12.4
91.05480	6.7
93.07037	6.2
95.08625	14.5
97.02889	3.3
98.21498	3.2
99.08090	3.7
105.07042	13.4
107.08614	10.8
109.10162	3.9
113.09805	1.7
117.07008	2.5
119.08593	45.3
121.10169	2.3
123.04425	2.0
123.11702	5.2
127.03913	2.4
133.10139	68.9
135.11705	13.3
140.24962	1.5
145.04938	1.6
147.11737	3.7
149.02315	2.4
172.93771	1.6
175.14838	100.0
176.15179	2.7
183.91743	1.5
193.15967	8.4
196.30286	1.9
196.65366	1.6
211.16954	2.6
354.41571	1.5
384.80533	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	373.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01468	2.6
55.05501	9.8
57.75658	3.3
67.05508	19.5
69.03410	3.7
69.07059	9.1
70.63318	7.1
79.05531	3.1
81.07060	18.8
83.04981	11.0
83.08630	6.4
85.02911	7.4
89.95088	2.7
90.80767	2.5
91.05483	2.6
93.07042	10.6
95.08614	33.4
98.61072	2.5
99.08022	2.8
105.07060	4.1
107.08599	20.0
109.02942	3.0
109.06530	12.1
109.10168	100.0
119.08598	34.3
121.10159	10.6
123.08078	10.6
123.11709	4.5
131.91341	2.6
133.10159	20.5
135.11702	94.9
135.12726	5.8
137.09627	15.1
149.13248	4.1
149.25949	3.1
151.11205	11.6
151.14832	12.2
153.12674	3.0
175.14851	41.0
193.15904	51.9
193.17480	5.4
211.16948	42.9
247.02325	3.4
320.40610	2.8
373.54980	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	373.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30470	5.5
55.05508	12.1
61.17045	4.7
67.05511	14.9
69.03414	6.0
69.07068	12.8
69.48497	43.5
73.80112	5.5
81.07053	28.0
83.04990	6.4
83.08633	6.0
91.05475	7.4
93.07033	10.0
95.08607	31.0
97.06570	6.4
100.57203	5.4
107.08614	21.5
109.06511	9.1
109.10165	100.0
109.64130	5.1
111.08145	6.3
119.08607	37.8
121.10179	7.6
123.08105	13.8
123.11809	6.6
133.10135	26.5
135.11681	80.5
137.09633	20.6
151.11205	8.1
151.14816	8.4
154.73341	6.3
168.12383	5.3
175.14847	49.5
193.15915	59.0
211.16968	47.7
245.06508	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	372.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01878	0.8
56.96564	0.5
57.03444	1.0
61.02928	2.6
62.06084	0.7
69.03437	6.3
70.81123	0.4
70.81455	1.0
71.05017	0.9
72.04521	1.1
73.02917	1.0
75.57005	0.4
79.05510	0.6
81.03415	2.8
82.16035	0.4
83.01360	0.6
85.02914	14.8
85.93714	0.4
87.04485	1.0
91.03962	0.9
91.05466	2.2
91.73927	0.4
94.43483	0.4
97.02902	4.3
98.97582	0.8
99.04463	1.4
103.05476	3.2
105.07040	4.7
107.04978	1.4
109.02876	2.0
117.05756	0.7
117.07017	1.9
118.06543	2.5
119.07355	3.4
120.08109	4.7
122.97484	0.4
127.03938	3.1
128.06213	0.4
128.98631	0.7
129.07014	3.5
131.04962	1.3
131.07289	0.8
144.08139	0.5
145.04958	2.3
146.09682	5.3
147.03340	0.4
147.04471	0.6
153.01823	0.7
164.10727	100.0
165.11082	1.3
192.10246	1.5
210.11267	95.6
211.11687	2.5
224.44785	0.4
237.03011	0.5
252.12498	0.6
336.14334	0.6
340.05081	0.5
372.16626	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.5
57.03433	1.3
59.04982	1.2
67.05494	2.6
69.03428	1.9
69.07068	2.4
70.06574	1.3
70.10316	2.3
71.04995	1.3
72.08133	0.8
79.05484	1.4
81.03402	1.8
81.07061	4.4
83.04977	10.2
84.08140	3.3
85.02914	5.8
86.09713	2.0
91.05480	0.7
93.07059	2.1
95.01395	0.6
95.02500	0.7
95.04967	1.5
95.08612	3.9
97.02928	1.5
97.06542	0.9
98.20786	0.7
105.07025	1.9
107.08596	2.7
109.06531	1.7
109.10152	3.3
110.97601	0.6
111.08112	0.9
119.08593	2.6
121.10151	2.0
122.16809	0.6
127.03913	1.5
129.10243	2.1
133.10147	2.4
135.08150	0.7
135.11707	2.4
137.09621	4.1
145.05000	0.8
148.07590	0.7
151.03978	0.8
153.01849	0.7
153.05455	0.9
155.10657	5.0
161.05919	0.7
175.14815	4.1
177.05481	1.1
193.12030	2.7
193.15900	8.7
194.08162	1.0
195.13588	0.9
201.03722	1.4
203.05280	5.2
211.10840	1.2
277.03564	0.7
373.14746	4.7
373.18381	100.0
374.18649	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03938	3.1
55.05500	3.6
57.07064	1.0
61.39719	1.1
67.05498	3.7
69.03437	9.3
69.07078	9.0
69.33369	9.1
70.06590	1.2
71.04983	4.1
73.02927	1.6
79.05484	3.3
81.03403	4.7
81.07050	5.5
83.04992	1.1
83.08622	1.8
84.08150	2.4
85.02912	100.0
85.06512	2.8
91.05440	6.6
93.07058	6.6
95.04958	2.9
95.08614	7.8
97.02879	4.7
97.06528	3.1
98.21551	1.8
99.04465	3.0
103.05481	1.1
105.07025	6.2
107.08614	6.5
109.02902	2.1
109.06539	1.9
109.10167	4.9
111.04441	2.4
111.08070	1.9
111.11712	2.2
117.07040	2.0
119.08556	4.1
121.10161	6.9
123.04436	2.4
123.11739	2.8
125.05978	1.9
125.13262	1.5
127.03938	6.6
129.05432	1.0
129.07001	1.6
131.04878	1.2
131.08530	2.6
133.10133	18.0
133.35634	1.0
135.08046	4.5
136.07553	1.0
137.05972	2.3
145.04994	1.4
145.10127	2.2
147.11688	4.5
149.05939	1.3
149.09665	1.5
149.13261	3.2
151.11191	3.5
153.01796	1.8
154.19179	1.2
157.10025	1.6
161.06062	1.5
161.09608	1.3
163.11139	1.6
167.07011	1.8
173.13275	5.5
175.07567	1.0
183.02899	1.4
188.69601	1.2
189.09181	1.5
191.14307	10.1
209.15393	47.0
267.82321	1.1
283.02417	2.5
335.18549	11.5
339.12061	1.7
353.19656	4.1
353.41714	1.0
371.11209	1.4
371.15894	2.3
371.20728	33.6
371.25565	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01880	1.2
55.05510	2.1
56.35990	1.0
67.05521	3.0
69.03430	9.3
69.07072	9.2
69.60737	5.6
69.61146	1.7
71.04990	4.5
73.02931	2.3
79.05493	4.7
81.03423	4.8
81.07063	6.4
83.08650	1.7
84.08156	2.7
85.02911	100.0
85.06553	1.4
91.05485	2.5
93.07034	5.2
95.04975	2.0
95.08601	5.1
97.02905	4.9
97.06542	4.6
97.12978	1.0
98.21493	1.9
99.04456	1.8
101.05961	1.1
103.05486	1.7
105.07034	6.1
107.08620	7.7
108.05295	1.1
109.02885	2.8
109.06513	2.8
109.10173	4.4
111.04434	1.5
111.08094	2.3
111.11739	2.8
119.08595	3.1
120.07146	1.2
121.10139	5.3
123.04438	2.1
123.08063	2.2
123.11709	1.5
125.06023	1.6
125.13290	1.2
127.03927	4.6
131.08594	3.4
133.10139	17.1
135.08081	3.5
145.10126	3.6
147.11690	5.1
149.05948	1.4
149.13327	3.2
151.11197	3.6
153.01851	1.4
158.10962	1.4
159.08133	1.2
163.11214	1.8
166.84724	1.1
167.07074	2.8
170.76567	1.1
173.13319	5.7
177.05507	1.5
183.02899	1.1
187.75607	1.2
191.14331	9.0
200.96359	1.3
201.16252	1.2
209.15378	44.8
209.17375	2.3
253.12389	1.1
274.96600	1.2
283.02347	1.6
293.00610	1.0
335.18561	9.1
353.19635	4.3
370.13895	1.2
370.39432	1.2
371.15063	2.0
371.20752	29.7
372.21051	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
53.90877	1.3
54.38407	1.1
55.01870	4.9
55.05515	61.2
57.03438	7.9
57.07081	2.4
59.05000	5.5
65.03934	3.2
67.05511	100.0
69.03427	4.9
69.07078	9.5
69.21486	12.7
71.04988	3.7
74.08138	1.2
79.05503	31.3
81.03420	9.6
81.07066	28.7
83.04965	4.4
83.08627	23.5
85.06548	2.9
88.41754	1.3
91.05463	8.9
93.07047	5.8
95.04999	1.7
95.08622	8.2
97.02924	2.6
97.10176	37.2
99.08144	1.1
105.07019	2.0
107.08610	20.5
109.10165	75.9
111.04486	1.4
111.08093	4.9
119.08581	5.3
123.04474	1.3
125.09636	37.5
127.03915	1.8
131.08612	1.6
137.09616	3.7
143.10710	9.0
155.10669	8.5
173.11754	28.7
180.57889	1.3
199.13309	7.9
229.07671	1.7
229.14308	5.1
277.60675	1.4
281.11023	1.5
322.96167	1.4
371.16928	2.9
371.24298	37.0
372.24567	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	371.2066
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
50.67833	5.3
55.05509	11.0
57.03405	6.4
57.07069	5.7
58.41373	6.0
67.05502	15.0
69.03419	14.2
69.07073	8.5
69.35680	13.8
69.36103	35.4
73.04758	8.6
76.22995	5.7
79.05500	11.9
81.03426	8.7
81.07054	25.8
85.02905	39.1
85.06556	10.7
91.05487	12.6
93.07056	23.8
95.04966	11.9
95.08617	20.7
97.02884	10.7
97.06535	24.5
99.08102	11.1
105.07027	39.2
107.08601	23.0
109.06520	92.6
109.10181	8.9
111.08043	9.1
117.07044	5.9
119.08594	18.4
121.10159	15.7
123.08079	9.6
127.03946	7.8
131.08571	47.0
133.10155	100.0
135.08055	7.5
135.11732	7.6
143.08577	7.7
145.04984	9.6
145.10112	22.7
147.11679	11.7
149.09669	8.8
149.13243	9.0
151.11121	8.6
153.01862	9.8
153.09082	11.4
158.10893	10.8
163.14822	16.2
173.13280	98.8
191.14314	82.5
209.15381	24.1
284.49905	7.0
371.15369	9.1
382.59729	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66616	2.0
55.05506	4.7
56.98875	2.2
59.76024	2.1
67.05494	3.5
69.03419	4.3
71.04975	3.5
71.51418	3.5
73.04717	3.2
79.05465	5.4
81.03422	3.9
81.07025	8.6
85.02879	4.4
85.06517	4.8
91.05439	10.2
93.07029	9.9
95.04942	2.8
95.08566	6.9
95.17809	2.1
97.02896	3.6
97.06514	3.2
102.15878	2.1
105.07047	16.5
107.04913	5.9
107.08559	9.1
109.06479	6.1
109.10136	6.2
112.05004	2.1
119.08546	8.6
121.10120	6.0
123.04399	7.6
123.08048	2.7
127.03848	2.8
129.06998	4.4
131.08534	8.2
133.10135	72.1
135.08002	3.5
137.05890	5.2
143.08568	3.6
145.10110	8.8
147.07985	2.8
147.11658	6.2
149.09549	2.9
149.13255	4.6
151.11159	7.6
153.01755	3.2
158.10956	2.6
161.05975	2.3
163.14841	3.5
167.07008	10.0
173.13274	35.6
177.09102	2.3
181.04883	6.3
183.02896	2.9
191.14331	24.6
209.15263	6.8
227.05269	2.0
251.66595	2.6
285.13101	3.1
327.14227	25.1
327.37057	2.4
371.13077	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24997	0.6
50.70752	0.7
53.03943	1.0
55.01867	0.9
55.05509	4.6
57.03437	0.8
60.02009	0.7
61.02924	0.9
67.05501	1.5
69.03425	2.8
69.07067	1.0
71.04987	0.8
71.50481	0.9
73.04765	0.9
79.05482	2.2
81.03414	2.5
81.07054	2.9
83.04996	1.8
83.08601	2.2
85.02908	5.8
85.06554	1.0
91.05476	3.0
93.07076	4.8
95.04968	1.7
95.08607	2.3
97.02881	1.7
97.06502	1.3
99.04486	1.4
100.11274	7.2
105.07055	4.7
107.04949	1.2
107.08599	2.0
109.02893	1.3
109.06530	1.6
109.10148	2.2
111.04446	1.5
111.08099	1.0
117.07059	0.6
119.08580	1.7
121.06522	0.8
121.10166	4.8
123.04447	1.9
123.08115	1.4
127.03896	0.7
131.08578	1.6
133.10147	5.3
135.08049	1.8
137.05989	1.3
137.09648	2.4
141.11502	0.7
141.33397	0.7
145.04976	1.1
145.10144	1.2
149.09630	100.0
150.09978	1.1
151.03873	0.8
151.11105	1.0
153.01863	1.5
155.07043	1.4
163.11188	2.2
167.06973	1.5
173.13319	1.4
182.15419	1.5
187.29680	0.7
191.10709	0.7
191.14319	7.8
209.15350	13.3
209.17128	1.1
210.14902	2.1
217.08711	0.9
227.17548	1.5
239.66898	0.6
273.72202	0.7
276.72733	1.5
283.87421	0.7
285.01065	0.9
313.11026	0.8
343.30612	1.3
353.26938	0.9
362.27261	2.1
371.15042	3.5
371.21576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
54.45484	1.0
55.01866	4.0
55.05517	57.2
55.54474	1.0
57.03426	3.5
59.05007	6.6
65.03928	2.1
67.05509	100.0
69.03429	3.0
69.07072	9.9
69.85685	5.9
71.04996	4.1
75.76253	1.2
79.05500	31.4
81.03423	3.1
81.07062	28.5
83.04977	4.5
83.08628	22.1
85.02931	1.3
85.06557	3.7
91.05470	8.6
93.07056	3.5
95.08643	6.5
97.06528	1.4
97.10180	33.2
98.21069	3.3
101.06023	1.7
101.09708	1.3
105.07033	2.7
107.08605	18.0
109.10164	68.6
111.08106	3.2
111.48697	1.2
113.09663	1.2
117.07087	1.3
119.08605	6.1
121.10152	1.5
123.04456	1.1
125.09637	34.0
125.10559	1.7
131.08594	1.5
137.06010	1.5
137.09628	5.3
143.10716	6.8
145.10080	1.3
150.46396	1.1
155.10687	9.1
159.11801	1.3
163.11256	1.4
167.07034	1.8
173.11745	29.0
177.45468	1.2
199.13287	7.8
229.14424	4.1
261.18472	1.3
276.78262	1.4
279.19443	1.2
321.11411	1.1
371.24353	39.5
374.68149	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1677
Annotation	His Asn Thr
Peak:m/z	Relative Intensity
55.05507	0.4
56.28535	0.3
70.06591	0.6
71.20616	0.6
73.04750	0.7
81.03402	0.3
81.07066	0.4
85.02889	0.5
97.02897	0.4
97.06521	0.4
106.06561	1.1
107.04927	0.3
111.04522	0.4
114.95451	0.3
147.04468	0.7
156.05803	0.3
165.07401	0.4
188.26039	0.3
199.72046	0.4
209.11588	0.7
285.00888	0.5
285.09497	0.5
353.15756	6.4
371.16797	100.0
372.17096	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03943	10.7
55.01868	9.5
55.05498	18.9
61.02934	7.4
61.19445	5.3
63.15840	5.3
67.05495	15.1
69.03428	52.0
69.07063	40.7
71.50842	7.8
73.02932	7.3
78.04704	7.2
79.05499	33.8
81.03409	16.8
81.07072	26.6
83.05000	37.5
85.02895	44.9
85.06535	9.4
85.12986	4.9
91.05459	29.2
93.07046	32.9
95.04983	27.1
95.08612	40.9
96.49685	5.6
97.02883	20.1
97.06539	29.2
99.04448	9.9
105.07043	37.5
107.04933	32.8
107.08594	62.6
109.06532	42.8
109.10167	33.3
111.04406	8.0
111.08060	20.2
113.06001	11.5
113.82573	5.8
117.07039	5.8
119.04960	7.6
119.08568	20.8
121.02828	6.2
121.06493	20.4
121.10164	50.7
123.04428	20.0
123.08070	12.9
123.11738	7.9
125.05988	9.8
125.09629	9.5
127.03921	12.6
128.06233	9.5
129.05428	5.8
129.06952	14.6
131.04883	8.0
131.08551	13.7
133.10146	63.0
135.08047	25.3
135.11688	15.3
137.05960	17.0
137.09586	18.6
143.08627	6.1
145.10132	10.9
147.04474	8.2
147.08023	13.8
147.11684	32.5
149.05978	7.6
149.09618	24.2
149.13292	28.9
151.07457	5.6
151.11183	33.5
153.09096	18.7
159.08064	18.8
161.05992	12.5
163.07614	6.4
163.14819	14.0
165.09131	7.5
167.07060	96.6
173.09637	8.0
173.13277	22.0
175.07506	27.8
177.09201	5.6
187.07521	16.6
189.12749	6.9
191.07034	10.1
191.14320	100.0
193.15918	7.7
197.13039	5.9
199.07524	7.2
201.09346	5.5
207.13808	8.1
209.15392	51.4
217.08577	7.9
219.08002	7.2
220.91174	6.2
249.09085	12.2
261.08972	6.1
263.07043	6.9
281.11636	12.3
309.11163	6.2
321.11514	7.0
335.18680	10.6
341.13849	11.8
353.14001	5.7
353.19733	14.5
371.11807	8.7
371.16635	37.1
371.20889	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	369.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01875	2.6
57.03435	2.9
59.04995	1.7
61.02926	5.8
62.07353	1.0
64.65626	1.0
67.05526	2.2
69.03433	32.2
69.07073	1.3
70.85069	1.5
70.85419	1.4
71.05000	2.9
73.02922	2.6
79.05489	3.4
81.03431	7.7
81.07053	2.7
83.04969	3.1
85.02908	34.8
85.06550	1.1
87.04477	2.0
90.47412	0.9
91.03987	1.5
91.05479	10.2
92.84637	0.9
93.07049	3.3
95.04977	7.1
95.08613	4.2
97.02898	14.4
99.04436	2.0
103.05459	1.3
105.07047	8.3
107.08611	7.7
109.02892	5.0
109.06528	24.7
112.34573	1.0
116.06265	1.2
117.07008	1.9
119.08595	13.6
121.06501	1.9
121.10168	2.5
123.08087	7.6
127.03929	7.1
129.06989	3.1
130.07672	0.9
131.08578	23.9
133.06496	5.2
133.10139	3.9
135.08076	2.2
137.05989	1.2
143.08568	2.3
145.04977	6.0
145.10107	4.3
147.08060	18.8
147.11739	3.6
149.09627	2.4
151.07550	100.0
152.07866	1.4
156.09402	4.6
159.08133	1.5
161.09612	4.0
161.13257	2.2
163.11218	12.2
165.12648	1.5
171.11682	10.1
177.12749	1.6
185.13470	1.3
189.12758	51.3
190.13133	1.3
191.14368	3.1
207.13800	44.1
231.13864	1.5
337.10886	1.0
369.19101	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	369.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01859	1.5
55.05515	11.9
57.03421	1.5
57.07062	2.5
58.49631	1.2
62.61693	1.1
65.03938	3.4
67.05512	94.0
69.07069	9.0
70.45068	1.5
71.51694	2.5
79.05499	17.2
81.07066	100.0
83.08627	6.6
91.05480	6.2
91.36906	1.3
93.07050	12.9
95.04958	2.2
95.08616	95.9
97.10175	2.4
105.04501	1.5
105.07046	6.0
107.04965	91.3
107.08614	9.5
109.10167	59.9
117.07064	2.4
119.08569	6.4
121.06487	3.8
121.10146	10.9
123.11710	19.7
131.08582	2.2
133.06500	16.3
133.10133	4.4
135.11697	7.3
137.13266	6.5
145.06488	15.0
145.10147	2.3
147.08029	6.6
147.11760	2.3
149.13269	2.3
151.14784	2.2
155.06021	1.9
157.06520	6.2
159.08115	8.4
159.11714	2.0
161.09625	3.3
163.07562	2.7
163.14853	3.7
171.08038	4.0
173.09636	8.8
175.11165	2.5
177.16423	3.7
185.09636	6.9
187.11179	4.7
189.12775	1.7
199.11275	6.4
201.12794	2.8
211.11278	1.6
213.12782	2.5
223.89090	1.3
229.09703	2.5
243.21078	2.7
269.18951	1.7
351.26978	7.6
369.24164	2.4
369.27982	20.9
369.39075	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
54.16750	1.0
55.05517	10.3
57.07070	2.3
65.03928	2.5
67.05507	78.8
69.07073	8.9
69.72233	4.1
69.72646	2.3
75.36197	1.1
79.05085	1.1
79.05500	14.0
81.07058	90.1
83.08606	3.0
91.05479	6.2
91.05942	1.1
92.40501	1.1
93.07050	11.4
95.04948	2.3
95.08611	100.0
97.10159	2.3
99.08139	1.3
99.72146	1.1
105.07030	6.4
107.04958	70.7
107.08594	7.5
109.10162	54.5
117.06983	2.9
119.08565	4.6
121.06490	4.7
121.10146	5.9
123.11710	18.5
131.04901	1.3
131.08568	3.2
133.06503	12.3
133.10133	3.3
135.08084	2.2
135.11720	5.9
137.05945	1.1
137.13266	5.1
145.06494	15.0
145.10118	3.2
147.08061	6.2
147.11650	2.7
149.09647	1.1
149.13245	3.5
151.14769	1.8
155.06030	1.3
157.06511	6.2
159.08055	7.3
161.09602	2.6
161.13274	1.9
163.07523	2.7
163.14783	4.5
171.08073	3.2
173.09610	8.7
173.13203	1.1
175.11093	1.3
175.14854	2.4
177.16356	3.2
185.09607	4.7
187.11197	6.3
189.12668	2.1
197.09770	1.7
199.11195	5.3
201.12691	2.6
207.11821	1.3
213.12793	1.4
225.12711	1.8
227.14160	2.5
241.15860	1.5
241.19591	1.2
269.18967	1.4
275.19806	1.1
281.19037	1.8
296.83459	1.2
351.23465	1.1
351.26953	8.7
369.24036	2.4
369.27975	19.7
369.39041	1.6
370.28293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0377
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02839	27.2
70.29826	100.0
82.78106	30.0
222.21602	27.9
367.34082	34.2
371.03622	64.7
371.16772	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57813	100.0
85.02890	15.3
99.04595	15.0
110.62875	12.4
134.68907	13.7
155.99504	14.3
191.03912	20.6
193.66234	14.2
230.20946	15.8
231.34482	17.1
330.90247	15.1
360.32898	17.1
360.37396	15.5
371.07538	86.6
371.12186	18.1
371.16660	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89503	0.7
70.44390	2.0
70.44714	0.8
73.04732	0.8
79.05481	1.0
80.09246	0.7
81.07056	0.8
85.02904	1.5
88.18687	0.7
91.05476	1.2
93.07037	1.5
105.07022	2.0
107.08604	0.8
109.06504	2.7
109.10158	1.1
123.04424	1.0
131.08554	2.3
133.10141	9.4
133.87634	0.7
137.06003	1.9
147.11679	1.2
153.01865	1.3
158.10841	0.9
160.10945	0.8
167.07072	2.7
173.13257	3.8
186.06804	0.7
191.14339	4.1
217.08676	1.3
225.81328	0.9
225.89317	0.8
271.04306	1.2
285.13080	2.8
327.14151	25.1
371.13153	100.0
372.13522	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	370.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05674	0.8
53.03940	1.2
57.03427	1.6
58.72029	0.9
61.02916	3.2
66.23555	0.7
69.03440	5.8
71.04990	0.7
71.07311	2.0
73.02915	1.3
79.33861	0.8
81.03418	3.5
85.02905	18.4
91.03951	2.2
92.05007	1.4
97.02890	6.0
99.00821	5.5
99.04456	1.2
109.02879	1.7
110.06043	17.6
120.04467	24.2
127.03889	3.9
134.06006	3.8
138.05493	2.7
145.04951	4.2
148.03915	2.0
149.02403	1.3
152.07063	2.8
162.05510	98.6
162.99936	0.9
163.05905	1.3
166.03560	1.3
166.04996	29.5
180.06584	8.2
190.05013	16.0
208.06059	100.0
214.11377	0.8
340.91367	0.8
371.11032	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54715	3.5
90.51170	0.6
98.97588	0.7
99.61160	0.6
101.48069	0.6
113.52318	0.6
115.73432	0.6
141.28459	0.6
151.52325	0.6
167.07062	0.6
175.15579	0.8
185.04257	3.8
191.03214	0.8
206.05489	3.5
207.06317	9.5
213.03075	0.6
240.98041	0.6
273.44489	0.6
338.09998	0.7
351.08911	0.8
369.11578	100.0
370.11871	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35173	1.6
52.34721	1.7
53.03944	3.5
55.01865	3.2
55.05503	6.0
57.03423	3.2
58.52445	1.8
65.03934	2.5
67.05515	8.5
69.03434	14.5
70.11763	1.6
70.52995	5.7
71.04979	6.6
73.02924	2.9
79.05508	8.7
81.03426	14.0
81.07085	8.1
83.04971	2.1
83.08652	2.1
85.02903	9.1
85.06517	1.7
87.04475	2.1
91.04979	2.1
91.05486	21.9
93.07047	14.8
95.04987	4.0
95.08605	7.3
97.02883	5.6
99.04472	9.8
100.72025	1.8
105.01840	2.6
105.07037	88.2
107.08590	7.6
109.02885	5.3
109.06532	4.9
109.10152	3.4
111.04490	2.4
115.05476	2.3
117.07027	4.2
119.08590	17.6
121.06506	2.4
121.10134	5.5
123.04445	3.5
123.08070	2.8
123.11686	2.7
127.03920	6.1
127.11234	2.1
128.06175	2.8
131.08560	7.8
133.06488	7.2
133.10138	100.0
135.11678	2.6
137.02348	3.8
137.05989	4.1
137.09499	2.1
143.08572	5.9
145.10121	11.6
145.56018	1.9
146.07346	1.9
147.08017	6.0
147.11719	2.5
149.09618	4.7
151.07538	4.7
151.11169	3.6
153.01781	1.8
157.10120	2.7
161.09630	71.7
163.03983	2.2
163.11227	20.3
165.01863	3.9
179.10696	29.9
183.02884	7.5
189.09102	18.6
207.06525	1.9
207.10152	12.6
207.13908	2.3
212.51538	1.7
215.90181	1.6
234.98961	4.5
279.12384	1.9
305.13797	3.2
323.14914	24.3
333.13501	4.8
351.14444	32.9
369.17029	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	368.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
54.59454	0.3
57.03447	0.7
61.02940	1.0
68.99763	0.3
69.03439	2.6
70.41676	0.5
70.42015	0.4
73.02901	0.5
81.03425	1.2
84.56074	0.3
85.02910	5.3
91.03978	0.5
97.02901	1.7
99.04455	0.4
109.02861	0.7
121.43632	0.3
122.85445	0.3
123.36820	0.3
123.66525	0.3
123.71421	0.3
127.03918	1.2
132.04460	8.8
145.04996	1.2
160.03918	2.2
162.55302	0.3
178.05006	64.8
179.05304	1.3
206.04497	100.0
207.04842	2.1
236.18179	0.3
368.09726	0.5
379.91245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.01866	7.3
56.25924	1.2
57.03429	4.9
57.07043	1.3
61.02925	5.8
63.50821	1.2
64.49693	1.2
67.05528	1.4
68.99776	2.9
69.03429	35.6
70.86029	2.6
70.86365	2.5
71.04990	3.1
73.02909	4.4
81.02982	2.1
81.03418	21.9
81.07059	1.8
85.02908	100.0
87.00311	2.4
87.00832	42.6
93.07076	1.6
97.02894	25.2
99.04452	10.5
105.01866	63.7
105.07024	5.6
108.04523	1.2
108.54143	1.2
109.02887	26.2
115.03986	1.5
117.01817	2.8
119.08512	1.4
119.98107	1.2
127.03925	63.1
129.01814	2.3
133.10138	5.0
145.04964	31.8
145.10144	1.8
147.02814	1.9
152.54857	1.3
159.02872	12.9
161.09619	3.4
165.76161	1.3
169.33740	1.3
189.03967	4.0
213.04016	2.0
231.05003	19.6
249.06053	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	368.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01866	4.8
55.05268	2.0
55.05517	26.9
57.03438	3.0
57.07069	1.4
58.06610	7.0
60.04537	24.2
61.28090	1.3
65.03945	1.3
67.05182	1.8
67.05513	26.7
68.05032	1.5
69.03432	7.0
69.07074	19.4
70.06595	3.7
71.04997	13.2
71.51339	1.7
72.04523	1.8
79.05500	24.4
80.05025	2.4
80.05833	1.8
81.03416	2.3
81.07066	23.9
82.06577	2.4
82.07387	1.7
83.04967	4.3
83.08636	13.7
84.08149	9.4
84.64773	1.6
85.02924	1.5
85.06533	3.9
86.09217	2.3
86.09712	28.5
87.85975	1.7
88.07649	3.2
91.05492	12.8
93.07043	19.5
94.06571	2.6
95.04977	7.5
95.08625	11.5
96.08138	3.6
97.06530	4.6
97.10181	21.7
100.07631	1.9
102.11961	1.3
103.15121	1.5
105.07056	9.5
107.04951	5.3
107.08611	13.9
108.08131	2.8
108.08834	1.7
109.06531	4.8
109.10164	5.0
110.06062	3.6
110.09765	1.6
111.08115	1.9
112.07624	37.2
113.06019	1.5
117.07022	4.8
119.08585	6.5
120.08146	1.9
121.06507	2.0
121.10160	11.5
122.09713	8.6
123.08089	3.7
124.07605	3.4
125.09643	17.5
126.09148	2.2
128.10725	38.2
129.07043	3.2
130.08571	1.4
131.08563	4.4
133.06476	2.0
133.10150	2.2
134.09634	1.8
135.08067	4.3
135.11665	2.0
136.11214	1.9
138.12790	2.9
143.08530	2.3
145.06456	1.9
145.10146	3.7
148.11183	1.8
154.08636	9.9
159.11734	3.4
161.09673	2.9
163.11143	1.5
169.10129	1.4
171.11618	2.0
172.09729	14.6
173.11763	1.3
173.13379	1.6
177.12798	2.9
180.13849	23.2
187.11250	2.4
189.11253	13.4
195.13855	2.0
203.03865	1.3
221.15453	4.6
223.13330	4.2
272.20056	2.6
273.18442	6.4
276.20398	2.0
279.47849	1.4
290.21194	9.4
291.19531	8.2
308.22241	14.0
323.57645	1.5
332.22357	3.4
350.23383	19.2
368.24362	100.0
369.24365	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.5
55.01885	3.7
55.05513	22.9
55.14190	2.7
57.03454	3.6
57.07087	6.8
58.33026	3.0
59.98261	2.8
67.05506	46.8
69.03441	6.6
69.07066	17.6
70.06192	2.9
70.06489	16.2
71.05013	6.1
74.04807	2.8
79.05500	40.4
80.91865	2.9
81.07064	57.3
83.04980	8.8
83.08636	12.7
85.06554	5.3
91.05487	51.3
93.07050	86.2
95.04969	38.2
95.05505	4.2
95.08611	53.0
95.09184	4.4
97.06535	15.1
105.07037	83.0
107.08601	58.2
109.06545	12.6
109.10159	46.3
111.08060	6.0
115.05415	6.3
116.06305	3.1
117.07021	20.3
119.08589	100.0
121.06540	13.0
121.10154	50.6
123.11731	18.3
128.06236	11.2
129.07027	19.7
130.07845	9.5
131.08568	58.2
133.10139	60.8
135.08049	18.7
135.11720	21.7
137.09639	6.5
141.06976	5.5
142.07758	19.0
143.08569	33.9
144.09367	10.8
145.06557	4.0
145.10121	54.7
146.07294	7.8
147.08040	9.2
147.11720	15.9
149.09612	18.6
149.13313	4.7
154.07735	4.0
155.08597	13.2
156.09367	13.1
157.10104	42.7
158.10931	8.1
159.11708	45.7
161.09641	41.2
161.13287	9.3
163.11189	5.2
165.06989	6.5
167.08629	7.0
168.09348	7.0
169.10124	17.5
170.10915	8.7
171.08134	6.3
171.11703	27.8
173.09682	8.1
173.13249	27.4
175.11272	8.0
175.14841	18.4
179.08557	8.7
180.09290	4.2
181.10181	12.2
182.10977	5.3
183.11665	23.1
184.12433	3.3
185.09708	3.6
185.13199	17.2
187.14851	14.9
189.12794	4.6
193.10242	3.8
194.10954	6.4
195.11761	12.6
196.12511	5.8
197.13252	17.6
199.14841	13.0
201.12807	3.9
201.16386	4.7
207.11710	7.4
209.13255	18.3
210.14029	4.0
211.14891	9.1
213.12741	5.6
213.16418	7.2
215.14336	3.4
217.15881	4.0
223.14957	4.0
225.16446	5.9
227.14226	18.6
237.16391	6.2
239.17984	6.2
257.19232	5.3
265.19565	5.9
269.18985	5.1
293.60193	3.2
349.25156	8.4
367.26456	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.01881	14.5
55.05514	33.9
57.03443	21.0
57.07082	3.7
65.03947	2.8
65.97120	2.0
66.31344	2.1
67.05509	68.5
69.03425	7.4
69.07076	33.0
71.04993	5.9
79.05497	56.7
81.03420	5.9
81.07062	100.0
83.05004	9.5
83.08626	14.4
83.09048	2.6
85.02893	3.0
85.06524	3.8
91.05481	40.2
93.07047	43.9
95.04976	13.8
95.08612	48.6
97.06544	22.7
97.10187	9.5
99.08096	4.0
105.07039	41.2
107.04951	12.7
107.08604	33.1
109.06534	17.0
109.10157	24.9
111.08088	5.3
117.07044	15.2
119.08594	33.9
121.06535	3.9
121.10153	20.0
123.08089	7.0
123.11719	8.6
125.09644	6.2
129.07043	6.4
131.08591	15.5
133.06505	2.7
133.10138	26.6
135.08049	9.4
135.11736	10.9
137.09621	5.5
143.08545	4.6
145.10138	18.7
147.08113	2.4
147.11688	18.8
149.09666	18.4
149.13261	6.1
151.11165	5.4
155.08549	5.2
157.10138	7.4
159.11726	13.7
161.09641	2.8
161.13263	6.9
163.11186	9.8
165.12741	6.0
169.10223	3.1
171.10149	3.2
171.11674	3.9
173.13300	4.6
175.11259	2.0
175.14841	2.0
177.12773	3.0
179.14449	2.2
187.14963	2.8
189.11282	3.1
195.13774	3.3
197.13220	2.4
201.12769	2.3
228.94994	2.6
229.19560	3.4
239.17931	4.4
247.20583	4.5
253.18106	2.4
257.18994	7.7
267.09171	2.2
269.17487	5.1
275.20123	49.7
293.21204	3.9
349.24057	13.0
367.24762	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.8
54.80595	0.9
55.05318	1.1
55.05518	11.9
57.03449	1.9
57.07097	1.2
60.69722	1.1
65.03941	2.7
65.22900	1.0
67.05506	34.0
69.07065	11.2
70.07574	2.7
70.07970	2.4
71.08619	1.4
79.05499	69.6
79.10107	1.3
80.05822	1.4
81.07063	45.2
83.04997	1.2
83.08617	5.0
83.18636	0.9
85.06544	1.7
90.47405	1.0
91.05482	30.4
93.07049	88.6
93.84248	1.1
95.04980	7.9
95.08611	29.7
96.08881	1.2
97.06551	1.8
97.10187	2.9
97.32375	1.3
98.21515	1.7
103.05501	1.5
103.80502	1.1
105.04533	3.8
105.07040	22.1
107.04963	100.0
107.07874	2.7
107.08604	54.6
109.06514	4.1
109.10156	15.3
111.08077	1.7
117.07019	5.3
119.06189	1.1
119.08601	10.4
121.06519	3.1
121.10153	46.0
123.08059	1.1
123.11715	2.8
129.06987	1.3
131.08589	6.9
133.06523	11.2
133.10150	8.9
135.11694	51.5
137.06010	1.3
143.08611	2.0
145.06493	10.0
145.10149	6.8
147.08058	6.5
147.11697	6.4
149.13274	18.9
157.06499	11.2
157.10144	1.8
159.08127	4.9
159.11717	4.5
161.09668	3.0
161.13280	4.0
163.07622	1.5
163.14838	4.2
171.08095	5.1
171.11772	2.1
173.09601	7.7
173.13306	2.9
175.14897	3.6
183.08142	3.1
185.09625	5.9
187.11227	4.7
187.14865	1.5
197.09663	2.7
199.11177	5.2
211.11304	2.6
215.17990	1.3
217.19617	1.6
223.11159	1.5
225.12791	1.3
241.19542	1.7
257.19049	1.5
267.17508	2.5
275.20120	3.1
293.21106	4.1
302.01602	1.2
349.25348	10.7
360.36115	1.2
367.26373	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.0
55.01882	14.6
55.05517	31.6
56.96556	2.3
57.03443	17.7
57.07074	3.0
59.05013	1.7
62.22882	1.7
65.03960	3.0
67.05508	66.3
69.03423	5.4
69.07078	32.6
71.04999	6.3
73.02943	2.5
79.05495	48.4
81.03424	4.4
81.07063	100.0
83.04991	7.3
83.08622	17.4
85.02918	4.0
85.06535	4.9
86.09808	1.8
91.05487	39.6
93.07057	43.5
95.04980	12.2
95.08622	42.1
97.06532	17.4
97.10181	7.3
98.21615	3.4
99.08116	2.9
105.07042	38.7
107.04973	11.8
107.08612	31.2
109.06527	13.7
109.10168	20.3
111.08094	4.5
117.07043	12.7
119.08589	31.4
121.06513	6.9
121.10154	16.7
123.08076	8.2
123.11725	10.3
125.09605	9.0
125.34251	1.8
129.07028	5.5
131.08583	17.8
133.10149	23.7
135.08073	6.7
135.11707	13.2
137.09641	4.8
143.08583	6.1
145.10139	15.1
147.08054	4.5
147.11694	17.6
149.09622	16.3
149.13260	8.4
151.11200	4.3
157.10136	4.7
159.11754	13.2
161.09636	2.3
161.13298	4.1
163.11215	12.1
165.09099	2.8
165.12802	4.5
169.10193	3.8
171.11650	3.7
173.09676	3.2
173.11766	2.4
173.13284	5.8
175.11244	3.3
177.12787	5.7
183.11845	3.3
187.11143	2.1
189.11214	4.6
195.13724	2.6
197.13307	4.5
201.12755	3.3
229.19485	3.5
247.20648	4.6
257.18973	9.3
275.20105	53.7
293.21133	4.8
349.24039	13.5
367.12015	2.9
367.24774	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
55.01859	7.4
55.05516	25.5
57.03449	16.7
57.07062	3.7
61.94025	1.8
65.03938	2.7
67.05508	61.7
69.03403	2.7
69.07073	28.7
69.56390	8.5
69.56792	3.1
71.04988	3.9
79.05496	46.9
81.03408	6.2
81.07058	100.0
81.44935	1.6
82.07381	1.5
83.05001	8.8
83.08607	10.4
85.06542	5.4
88.84548	1.8
91.05482	38.5
93.07050	34.8
95.04961	8.1
95.08050	2.8
95.08616	31.9
97.06531	11.6
97.10162	6.7
97.15421	1.7
99.08088	2.9
105.07031	40.6
107.04951	6.6
107.08600	26.8
109.06509	10.3
109.10160	15.5
111.08067	2.6
114.79341	1.6
117.07027	10.6
119.08582	31.7
119.93457	1.9
121.06482	6.1
121.10148	15.9
123.08064	5.1
123.11723	8.3
125.09610	5.1
128.20430	1.9
129.07011	4.9
131.08569	15.2
133.06444	2.3
133.10143	21.6
135.08063	9.0
135.11674	12.4
137.09627	7.0
137.13168	1.9
138.08827	2.2
143.08522	3.2
145.06470	2.2
145.10121	13.6
147.11702	18.8
148.12169	1.7
149.09604	7.2
149.13234	6.4
151.11188	4.3
155.08548	2.4
157.10086	5.7
159.11743	13.0
161.09552	2.2
161.13251	3.6
163.11191	8.4
163.12413	1.5
163.14746	2.0
165.12772	5.4
169.10226	2.0
170.54536	2.1
171.10197	2.5
171.11696	2.7
173.13310	5.1
175.11125	3.3
177.12733	3.0
183.11653	2.9
195.13834	3.5
197.13197	2.5
219.13571	1.8
229.19547	3.7
233.19000	1.9
239.17996	4.1
247.20564	5.6
251.19807	2.1
257.18958	5.7
269.17566	3.1
275.20081	41.0
293.21024	5.2
349.23849	8.9
367.25278	22.0
368.24948	2.5
390.09225	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23781	2.4
52.82415	1.9
53.03946	7.7
55.01882	17.3
55.05266	3.5
55.05510	38.3
56.61061	2.1
57.03442	24.2
57.07070	7.7
59.05005	3.6
65.03944	4.6
67.05508	100.0
69.03424	6.2
69.07072	24.2
69.77441	6.2
69.77852	6.9
71.05000	7.8
71.08636	10.2
79.05495	49.5
81.03421	12.0
81.06586	4.9
81.07063	85.5
83.04996	18.4
83.08635	16.7
85.02914	3.7
85.06541	9.6
89.33606	2.4
91.05489	75.7
93.07045	48.0
95.04971	19.2
95.08614	46.9
97.02871	4.7
97.06554	13.3
97.10168	8.0
99.08099	10.3
105.07035	56.4
105.07696	4.5
107.04974	14.5
107.08588	42.0
109.06515	14.6
109.10168	46.4
111.04448	4.0
111.08085	10.5
113.06014	3.0
113.09642	3.3
117.07025	13.3
117.41328	2.2
119.08583	20.2
121.06522	5.0
121.10138	16.6
123.04431	2.3
123.08093	10.1
123.11743	16.3
125.09655	9.2
127.07571	2.3
129.07056	6.0
131.08580	13.7
133.10143	74.3
135.08049	6.9
135.11717	12.3
137.09613	16.1
143.08603	5.4
145.10144	10.9
147.08109	2.2
147.11682	9.5
149.09642	12.0
149.13310	4.3
151.11195	46.3
153.12773	3.5
157.10141	4.2
159.11725	4.8
161.09595	3.3
163.11208	16.1
163.14825	4.2
165.09100	2.8
165.12700	2.7
169.12256	5.9
173.13280	6.0
177.12798	4.8
179.10709	2.8
179.98367	2.7
183.10199	2.4
183.11711	2.8
187.11212	4.6
195.13727	2.4
199.13287	2.7
226.73769	2.4
229.19545	3.7
247.20618	8.6
253.14330	5.2
257.19037	6.5
275.20090	39.7
293.21201	16.8
337.48138	2.7
339.59735	2.5
349.23886	4.1
367.24982	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
53.82597	1.8
55.01883	9.1
55.02115	1.7
55.05273	2.5
55.05515	33.0
57.03443	19.8
57.07047	3.3
65.03944	2.0
66.85686	1.8
67.05508	60.6
69.03429	3.3
69.07071	26.1
71.04993	4.9
71.51487	1.9
71.51913	4.2
74.26835	1.7
79.05022	2.6
79.05493	47.2
81.03428	4.0
81.07062	100.0
83.04985	7.4
83.08624	11.5
85.02899	2.8
85.06534	5.8
91.05482	38.5
93.07041	39.8
95.04958	9.2
95.08608	34.4
97.06538	13.5
97.10164	7.9
99.08080	4.3
105.07034	34.1
107.04947	7.4
107.08592	23.4
109.06527	11.2
109.10175	16.9
109.25151	1.9
111.08058	5.5
117.07012	10.8
119.07798	3.0
119.08577	30.6
121.06507	6.3
121.10143	18.7
123.08041	7.8
123.11673	6.4
125.09637	6.5
128.06288	2.5
129.06999	5.3
131.08553	16.1
133.10136	23.8
135.08060	6.4
135.11691	9.8
137.09608	5.2
143.08603	4.6
145.10118	13.5
147.11682	21.1
149.09625	12.2
149.13237	7.2
151.11143	3.3
155.08577	3.0
155.90849	2.2
157.10120	4.9
159.11673	8.4
161.09592	4.0
161.13319	2.8
163.11171	6.4
165.09189	2.2
165.12804	4.1
169.10085	2.4
171.10199	4.3
171.11653	3.1
173.13281	7.7
175.11206	3.7
177.12701	2.5
181.12254	2.6
187.11166	3.0
187.14835	2.7
189.11258	4.6
195.13710	2.5
229.19545	3.6
239.17888	3.3
247.20532	4.8
257.19000	6.1
269.17444	5.3
275.20093	42.9
275.22726	1.8
293.20969	6.7
315.27457	1.9
331.41168	2.1
345.30667	1.8
349.24271	10.2
367.12009	2.2
367.24631	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.15
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.0
56.52431	2.0
57.03416	2.3
67.05504	5.3
69.03424	7.6
69.07073	2.9
70.06588	5.4
71.51402	2.5
71.51765	2.6
72.08149	3.1
74.68185	2.1
79.05489	3.6
81.03410	7.3
81.07050	6.2
82.80496	2.4
83.04982	4.6
84.04501	4.5
84.08141	5.0
85.02898	7.0
86.09705	4.0
91.05473	5.6
93.07049	4.3
95.04981	4.6
95.08585	2.9
97.02901	6.0
98.82623	2.2
98.97586	2.7
105.07011	4.4
107.08557	3.1
110.06046	2.3
119.08612	3.2
119.70624	2.0
121.06483	6.0
121.10204	2.1
122.06059	3.1
127.03943	2.6
132.95837	8.8
136.07587	2.9
137.09590	2.6
143.08597	4.3
145.06523	2.1
147.04430	2.4
147.09171	9.4
149.05946	2.7
153.01848	5.3
158.97374	2.9
160.07646	4.4
170.09631	2.7
172.07562	7.4
173.10782	3.0
174.07919	2.8
174.96915	6.5
175.08636	4.8
177.12697	3.3
184.07605	9.8
186.09128	4.2
186.96867	3.5
187.08684	4.7
187.12335	7.4
188.02811	3.2
198.09203	11.8
198.96822	4.0
200.07079	10.8
200.09222	5.0
201.10275	10.5
203.04785	2.4
205.09816	5.4
205.12059	2.1
206.03944	6.9
211.08763	4.6
212.07141	4.4
214.07263	2.6
215.11862	18.2
216.98067	3.6
217.09816	4.8
225.10071	3.2
226.08635	7.8
227.08212	8.7
229.09755	39.1
243.11288	36.1
245.09221	29.3
246.98924	4.2
253.09764	11.8
257.09143	13.5
259.10956	4.9
264.08829	2.9
271.07748	4.8
271.10776	100.0
273.12256	6.1
277.00375	2.3
281.09280	15.9
281.14963	12.6
287.10248	23.8
289.11804	10.1
299.10254	39.6
301.14343	11.1
305.11349	13.2
307.01065	2.8
317.11319	50.1
327.74036	2.2
331.12598	2.7
335.12369	46.9
350.13550	3.5
367.13544	8.0
368.09201	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96543	9.7
57.03428	8.0
58.45121	8.0
59.07275	6.9
67.05514	9.2
69.03436	22.4
70.06618	14.4
70.49219	8.0
70.85049	8.8
70.85385	16.7
72.08151	23.4
75.04483	27.0
81.03442	8.0
81.07053	25.1
83.04953	8.5
85.02904	59.4
86.09734	18.4
93.07053	37.5
95.04948	8.3
95.08608	55.6
97.02874	13.8
99.04441	12.4
100.02207	19.5
105.07021	10.1
107.08610	9.2
110.07137	8.1
116.01679	15.8
120.08107	26.9
123.11716	6.9
127.03902	13.5
130.06508	14.0
133.10106	10.7
145.04973	19.2
151.11128	12.9
153.01845	9.7
161.02264	7.1
163.06004	14.4
169.12233	14.1
176.07030	18.4
189.01863	10.5
190.02315	8.3
190.10936	10.5
203.04877	22.8
204.06532	12.2
204.10255	8.4
217.01302	8.9
218.01682	20.5
219.02589	14.1
229.57582	7.3
234.13507	9.7
246.01340	14.2
249.03922	8.3
250.04378	44.8
263.08481	72.8
274.00659	25.1
275.01346	14.8
302.00171	32.2
306.03394	8.4
334.02603	34.9
348.10556	10.7
350.65530	7.0
366.11319	100.0
367.16876	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41153	0.1
62.72702	0.1
69.83722	0.6
79.89420	0.1
82.99854	0.3
98.20791	0.1
98.97602	0.3
101.00877	3.1
116.98736	0.2
119.01925	6.3
134.99911	0.6
137.02988	1.3
140.98755	0.6
157.09644	0.1
158.99889	2.0
161.86691	0.1
165.99683	0.3
175.03020	0.2
177.00954	16.6
178.01042	0.6
182.99858	1.0
193.04070	0.2
195.02010	0.3
199.02977	0.2
200.02635	0.2
201.00943	2.5
216.99001	0.2
217.04076	3.1
217.99191	0.2
219.02011	23.2
220.02184	1.0
225.00858	2.4
225.02750	0.2
227.99628	0.2
234.00778	0.2
235.00029	0.5
236.00082	0.4
236.99921	0.2
240.98820	0.2
241.99016	0.5
242.03647	0.2
243.01994	9.3
244.02142	0.3
258.99960	1.3
260.00140	1.4
261.03058	100.0
262.03192	4.2
263.03146	0.7
264.99200	0.2
266.03671	0.2
274.97626	0.1
277.00989	1.0
278.01157	1.0
279.00943	0.4
282.99982	2.4
284.00089	3.3
284.04654	1.9
284.99738	1.2
285.99802	0.2
289.06140	0.1
301.01041	2.5
302.01154	4.1
303.00943	1.4
324.94336	0.1
326.01007	0.6
342.95367	0.2
343.02359	0.8
343.98492	0.2
344.02249	1.9
345.01889	0.2
362.03278	0.5
364.51208	0.3
367.02112	1.0
372.51511	0.2
373.01465	0.3
385.03214	5.2
386.03113	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62707	2.3
55.05514	3.4
60.04551	5.1
65.51807	2.7
67.05492	15.4
69.07052	4.2
70.65666	6.5
70.86778	2.5
71.04996	31.4
73.44514	2.7
79.05465	5.8
79.33920	2.3
79.58251	2.8
81.03409	3.5
81.07051	14.0
83.07268	2.5
85.02904	5.7
85.06554	39.8
86.09753	2.5
91.05502	15.8
91.77822	2.4
92.93798	2.5
93.07056	6.1
97.02895	2.7
103.32597	2.4
105.07057	13.6
107.08608	13.6
109.06509	3.4
109.10175	20.8
123.11704	7.9
129.01541	2.5
133.09230	4.8
133.10147	43.7
133.53937	2.5
135.90494	3.0
139.11296	2.7
151.11209	34.8
153.07402	3.9
167.09068	2.7
169.12259	36.1
173.35883	2.5
176.07193	3.0
176.11493	2.6
187.13312	100.0
195.08458	3.2
213.09479	4.3
297.90939	2.6
306.11679	4.8
334.10962	3.0
366.13754	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	366.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	5.3
55.01875	7.8
55.05511	3.2
56.57266	0.8
57.03450	6.7
60.04529	1.0
61.02934	5.4
68.99796	2.4
69.03436	36.4
69.48683	4.9
69.49099	1.8
71.01349	0.8
71.05003	5.1
73.02930	6.6
81.03425	26.3
81.07049	1.0
83.01349	1.2
83.08637	1.8
84.00519	0.8
85.02912	100.0
86.62939	0.7
87.00838	46.6
87.04445	0.8
89.54710	0.8
91.03955	2.1
93.07093	1.0
97.02901	29.3
99.04461	13.7
103.03938	1.7
105.01877	62.2
107.08610	1.0
108.04482	3.5
109.02888	28.8
111.08105	3.1
113.09631	1.1
115.03922	1.3
117.01881	2.4
126.05519	1.6
127.03931	67.8
129.01854	3.6
135.08043	1.1
141.09125	2.8
145.04974	33.0
147.02908	2.8
151.07558	1.8
159.02922	13.5
162.44656	0.7
171.02895	1.3
189.03993	3.4
191.10573	0.9
209.11755	3.5
213.03931	2.4
230.06694	1.1
231.05028	18.0
249.06119	3.6
269.13821	1.6
295.11722	4.6
313.12668	1.0
366.17471	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01857	2.4
55.05498	3.9
57.03431	8.6
67.05484	2.4
69.03083	4.0
69.03434	51.3
69.38921	17.3
69.39326	5.8
71.04992	11.1
72.04138	2.7
81.03423	31.4
83.08627	2.7
85.02908	53.1
87.00839	31.8
95.08660	2.5
97.02903	76.7
99.04468	28.2
105.01875	24.2
105.07056	4.7
105.28928	2.8
107.08612	3.8
109.02881	8.1
119.08566	2.8
127.03925	100.0
135.08118	2.8
145.04973	74.3
161.05937	3.5
171.02837	2.7
171.58781	3.2
221.69298	2.6
231.04996	54.0
249.06047	19.0
259.12494	2.6
261.14847	3.4
261.27344	2.4
262.15308	5.6
348.15137	3.6
366.16306	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	365.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01878	6.0
55.05514	30.8
57.03435	9.2
57.07082	6.1
59.04990	3.5
65.03957	5.1
67.05507	61.3
69.03414	13.1
69.06731	3.4
69.07076	42.8
71.05006	5.6
71.51381	3.4
71.57127	2.2
79.05489	37.1
81.03404	5.2
81.07065	48.9
81.98784	2.4
83.04994	6.8
83.08632	7.8
85.06557	8.4
88.79246	2.3
91.05484	48.7
93.07047	33.5
93.86346	2.2
95.04970	50.8
95.08613	51.5
95.09177	3.6
97.02893	6.6
97.06549	9.4
97.10173	10.1
102.11680	2.2
103.05447	4.4
105.07037	52.5
107.04967	6.6
107.08594	45.9
109.06542	10.4
109.10175	23.7
111.08119	5.2
115.05476	6.2
117.07014	19.7
119.08585	55.0
121.06524	7.2
121.10147	19.6
123.08105	10.0
123.11736	5.9
125.09651	9.4
127.07573	2.3
128.06253	9.2
129.06982	16.4
130.07793	5.5
131.08572	35.8
133.06528	3.5
133.10135	34.1
135.08054	18.5
135.11673	13.5
137.09656	5.8
141.07005	5.7
142.07787	13.2
143.08556	29.5
144.09346	11.3
145.10143	31.3
147.08011	13.3
147.11748	9.7
149.09605	4.2
149.13290	3.6
151.11235	9.4
153.07060	5.3
154.07768	3.7
155.08557	17.3
156.09383	13.9
157.06557	3.1
157.10144	40.7
158.11000	5.8
159.08049	4.8
159.11687	43.1
159.12880	3.5
161.09689	7.5
161.13336	10.1
163.11238	2.6
165.07083	6.8
166.07863	3.4
167.08591	11.4
168.09375	4.5
169.10127	21.9
170.10872	12.1
171.11690	29.4
172.12553	5.7
173.09642	7.2
173.13298	10.8
175.11269	6.0
179.08623	10.6
180.09404	8.1
181.10106	21.7
182.10985	6.6
183.11708	32.8
184.12434	3.7
185.09695	2.9
185.13290	21.1
187.11150	15.7
187.14845	15.0
189.11252	3.1
189.12883	3.6
192.09360	5.6
193.10156	16.3
194.10860	10.9
195.11734	35.9
195.13503	4.0
196.12515	11.0
197.13301	22.2
198.14110	3.0
199.11308	3.4
199.14922	8.6
199.69362	2.6
201.12881	4.5
203.14389	6.9
205.10217	4.6
205.15999	8.4
206.11037	9.9
207.11729	22.6
208.12500	13.4
209.13255	27.6
210.14055	5.0
211.11247	5.3
211.14746	11.7
213.12775	15.6
213.16444	4.1
217.10188	2.7
218.10968	5.6
219.11758	7.7
220.12569	6.4
221.13232	19.9
222.14076	9.1
223.11301	4.6
223.13116	5.3
223.14983	22.2
224.15677	3.5
225.12767	5.5
225.16403	5.4
227.14442	4.2
231.11928	2.8
232.12613	2.7
233.13293	11.9
234.14070	5.2
235.14847	11.5
236.15746	4.9
237.12927	2.9
237.16396	12.7
238.17250	4.5
239.14400	3.3
239.18002	4.4
241.15828	5.0
245.13171	3.2
245.19102	2.9
247.14891	10.9
248.15703	5.2
249.16435	13.6
250.17303	3.2
251.17940	16.4
255.17542	6.8
259.14899	4.8
261.16553	4.8
262.13989	2.6
263.17966	10.0
264.18964	3.8
265.15982	6.8
265.19717	3.8
267.17572	6.6
269.19055	5.4
273.18594	12.6
275.18036	2.4
277.16028	4.3
277.19644	2.8
281.19275	6.3
282.19748	3.3
283.20590	2.7
291.17068	3.6
291.19711	49.3
307.20593	3.6
309.18417	3.9
314.20340	2.6
319.24152	3.2
329.22928	3.1
347.23682	29.1
365.24744	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	365.2479
Annotation	Quinestrol
Peak:m/z	Relative Intensity
52.37315	3.6
52.60882	3.4
53.03944	8.3
55.01863	10.7
55.05515	36.3
57.03420	13.9
57.07064	4.0
59.04998	5.0
61.02911	3.7
65.03928	8.5
67.05504	51.9
69.03426	14.3
69.07071	42.3
70.68884	8.2
71.04974	5.0
79.05500	41.4
81.03420	7.7
81.07061	51.4
83.04987	11.2
83.08652	10.1
83.82531	4.0
85.06547	10.9
91.05487	50.6
93.07050	59.1
95.04974	43.4
95.08612	35.3
97.02907	8.9
97.06529	11.5
97.10180	8.9
105.07042	61.3
107.04945	15.0
107.08605	32.5
109.06522	12.2
109.10150	27.8
113.06053	4.3
115.05452	3.7
117.07058	19.0
117.26571	3.1
118.38844	3.0
119.07806	5.5
119.08592	58.9
121.06516	14.3
121.10141	31.4
123.08113	8.4
123.11703	6.3
125.09591	4.3
128.06235	9.8
128.54968	3.5
129.06996	23.7
130.07848	3.6
131.08566	47.8
133.06447	4.2
133.10143	38.4
135.08073	17.9
135.11691	8.0
137.09639	7.9
141.07005	5.8
142.07780	16.2
143.08580	34.5
144.09360	5.2
145.10120	39.3
147.08049	16.7
147.09108	4.2
147.11697	16.0
149.09627	12.6
149.13217	5.7
151.07448	3.8
153.06999	4.7
154.07672	3.7
155.08531	13.7
156.09338	10.6
157.10149	41.1
157.53290	3.6
158.10855	8.1
159.08060	5.2
159.11742	27.5
161.09604	16.5
161.13327	7.2
165.06956	6.5
166.07742	5.3
167.08563	8.1
168.09280	7.4
169.10146	24.9
170.10867	4.0
171.11681	19.1
173.09715	7.3
173.13280	39.7
175.11209	11.2
177.12735	5.3
178.07793	4.5
179.08539	9.8
180.09285	6.4
180.52089	3.9
181.10129	16.5
182.10916	6.4
183.11687	27.8
185.09708	4.9
185.11754	3.6
185.13292	16.5
187.11163	7.4
189.12753	3.8
191.14320	25.2
192.09358	4.8
193.10164	18.6
194.10988	7.4
195.11693	24.7
196.12439	9.0
197.13272	15.0
198.14093	4.5
199.11124	6.3
199.14845	11.4
201.12796	10.9
203.14359	6.8
206.10918	7.9
207.11696	23.0
208.12453	9.3
209.13258	16.9
211.11337	7.3
211.14838	13.4
213.12714	6.4
215.14189	7.0
216.15126	5.0
217.15785	4.7
219.11729	6.7
221.13277	19.7
223.11229	4.4
223.13020	7.0
223.14763	12.1
225.12724	4.6
225.16377	7.3
229.15958	4.8
233.13391	9.0
234.14142	6.8
235.14786	10.3
237.16432	10.1
239.14339	6.1
241.15842	9.0
243.11636	3.8
244.12315	5.1
247.14894	6.3
248.15585	8.0
249.12851	5.2
249.16481	14.1
251.18008	7.8
253.15842	6.5
255.17494	4.5
263.17987	11.3
265.15808	7.5
267.17520	7.5
273.18512	11.5
277.16000	5.7
279.17355	7.4
281.18994	6.5
291.19693	56.3
307.20517	5.9
310.31619	3.7
337.25275	5.6
347.23642	30.9
365.24796	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91357	1.2
53.03943	3.9
53.36031	1.1
55.01868	9.8
55.05518	29.3
56.96575	1.3
57.03439	11.5
59.04955	1.4
65.03934	1.8
67.05508	41.1
69.03140	1.5
69.03436	16.1
69.07069	46.8
71.04976	2.2
79.05495	33.8
81.03407	8.1
81.07057	27.7
83.04995	7.3
83.08624	12.6
83.15961	1.1
85.02895	1.5
85.06545	1.9
86.29082	1.3
91.03902	1.3
91.05483	21.1
93.07050	28.5
95.04978	12.3
95.08610	16.1
97.02897	18.5
97.06528	7.0
97.10164	14.7
103.03912	1.2
105.07030	15.1
107.04958	10.4
107.08609	15.3
109.02922	1.4
109.06499	5.2
109.10170	14.0
110.02657	1.4
111.08099	4.0
113.05898	1.1
115.05463	1.8
117.07013	8.3
119.08597	12.3
121.06506	5.4
121.10161	5.6
123.08105	3.3
123.11797	1.7
125.09641	14.4
128.06204	2.3
129.07001	3.8
131.08586	8.9
133.06505	3.5
133.10114	8.8
135.08054	8.0
135.11682	4.1
137.09618	4.1
141.06989	1.6
143.08566	3.5
145.10123	7.8
147.08043	5.7
147.11673	3.7
149.09621	3.4
149.13246	1.6
151.11227	2.4
157.10167	3.8
159.11713	3.8
161.09608	5.1
163.11151	2.6
164.78601	1.3
165.09091	2.8
171.10190	1.6
171.11673	2.3
173.13263	1.9
175.11206	3.4
177.12766	2.8
179.21387	1.2
183.11728	1.8
185.13251	1.5
189.11192	7.5
195.13751	2.3
205.12215	2.0
213.12859	1.2
218.44240	1.1
223.13307	28.2
227.18001	2.0
245.19173	1.9
255.17369	1.7
263.20071	1.5
273.18515	23.4
285.09814	1.5
291.19565	100.0
292.19870	1.8
347.22574	1.8
356.88986	1.3
365.23334	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01876	5.5
55.05269	2.2
55.05515	24.2
57.03446	7.7
67.05174	2.2
67.05515	25.6
69.03441	13.0
69.07076	49.0
69.20729	8.1
69.21164	5.3
79.05497	20.3
81.03425	3.2
81.07060	19.3
83.04992	3.8
83.08632	8.6
91.05486	11.9
93.07059	16.9
94.52754	1.3
95.04981	5.1
95.08607	12.6
97.02904	17.3
97.06553	4.2
97.10168	12.4
105.07038	9.2
107.04974	4.9
107.08598	11.0
109.01009	1.3
109.06518	2.1
109.10160	8.9
111.08092	2.0
117.07032	5.2
119.08595	7.4
121.06517	2.0
121.10163	4.3
123.08070	4.6
125.09648	10.4
129.05527	1.6
129.07034	2.1
131.08557	5.9
133.10143	5.2
135.08044	2.6
135.11685	4.2
136.58969	1.4
137.09663	4.0
143.08553	2.1
145.10136	5.1
147.08081	2.9
147.11707	3.8
149.13255	2.5
157.10136	2.2
159.11710	3.3
161.09613	2.3
165.09204	1.6
171.11641	2.2
175.11191	2.3
177.12782	2.1
179.10693	1.4
185.13313	2.4
187.11182	1.4
189.11206	5.7
195.13860	3.2
203.05258	1.2
205.12271	2.4
223.13329	23.8
243.31270	1.5
249.14896	1.4
273.18546	10.8
291.19571	100.0
307.41672	1.4
335.84390	1.3
365.23273	31.9
365.30862	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	365.2318
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03938	5.6
53.18723	1.5
55.01866	8.8
55.05518	14.8
56.96560	3.6
57.03446	17.2
65.03923	3.0
67.05141	2.4
67.05506	43.4
69.03428	4.2
69.07059	12.4
69.72308	6.2
69.72720	2.8
71.04991	3.8
73.02917	1.8
79.05502	33.7
81.03403	7.2
81.07059	44.5
83.04974	8.4
83.08625	6.4
84.75066	1.4
85.02886	2.8
85.06547	3.2
88.09497	1.6
91.05486	39.9
91.17332	1.4
93.07052	33.5
95.04980	11.6
95.08620	14.4
97.02880	2.6
97.06541	7.3
97.10226	2.5
98.21529	2.0
103.05438	1.6
105.04508	2.0
105.07040	30.9
107.04969	9.3
107.08601	23.6
109.02937	1.9
109.06513	8.5
109.10153	23.2
111.04427	2.2
111.08077	5.3
113.06052	2.1
117.07024	9.9
119.08589	13.9
119.24458	1.6
121.06512	8.1
121.10157	11.0
123.08064	3.8
123.11739	5.3
127.07539	2.2
129.07025	5.2
131.08594	14.9
131.61212	1.4
133.06476	7.6
133.10141	34.5
135.08055	9.9
135.11699	6.1
137.09619	3.1
139.07568	1.6
143.08560	4.1
145.10136	6.5
147.08046	4.9
147.11696	4.4
149.09644	8.5
151.07672	1.6
151.11217	19.9
157.10109	4.5
159.08057	3.3
159.11739	4.4
161.09625	5.9
161.13245	1.7
163.11134	3.1
164.82350	1.6
169.12270	3.2
171.11713	3.4
175.11180	3.4
177.09079	6.2
179.10611	2.1
181.12248	2.0
189.12775	2.5
213.12810	1.7
215.12689	1.9
245.19078	5.5
253.14346	9.3
255.17534	2.1
263.20090	4.2
267.09076	4.0
273.18469	19.8
284.12546	2.0
285.10144	3.5
291.19568	19.3
347.22171	3.1
365.23074	100.0
366.23471	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
53.99398	1.1
55.01863	4.9
55.05512	24.0
57.03442	7.8
59.05016	1.4
67.05507	27.5
69.03436	13.8
69.07072	46.1
71.51853	1.9
79.05495	18.3
81.03413	3.2
81.06587	1.7
81.07053	20.8
83.04975	3.3
83.08183	1.6
83.08617	8.9
85.06498	1.5
91.05482	9.2
91.39150	1.1
93.07047	15.9
95.04977	5.7
95.08607	11.6
97.02901	16.3
97.06536	5.1
97.10179	13.8
105.07037	10.1
107.04952	4.1
107.08582	10.9
109.06517	2.7
109.10157	7.5
117.07023	5.6
119.08610	8.9
121.06512	2.1
121.10128	4.3
123.04438	1.6
123.08086	2.4
123.11731	1.7
125.09637	9.5
129.06995	1.7
131.08537	5.5
133.10112	5.2
135.08060	4.3
135.11687	3.8
137.09595	3.3
143.08559	2.5
145.10130	4.4
147.08080	2.4
147.11697	2.3
149.13231	1.9
153.08984	2.0
157.10065	2.9
159.11699	3.5
161.09608	1.9
165.09163	2.1
171.10217	1.6
171.11673	1.2
173.11829	1.8
177.12737	1.8
185.13271	1.7
189.11223	5.4
195.13791	2.2
203.05305	1.8
205.12201	2.0
223.13287	26.7
245.19043	2.0
249.14983	1.4
270.29996	1.1
273.18546	12.4
291.19553	100.0
292.19836	1.8
321.78375	1.6
325.73495	1.0
334.86945	1.1
365.10553	2.3
365.23254	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	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.0
53.04404	2.7
55.01884	15.0
55.05516	51.3
56.96566	9.1
57.03439	18.5
59.04976	3.4
59.75766	2.9
61.02927	6.1
65.03941	6.1
67.05510	75.7
69.03419	14.3
69.07085	27.5
71.04989	7.9
79.05496	73.7
81.03416	14.5
81.07066	81.1
81.22318	2.9
83.04971	10.8
83.08637	19.1
85.02909	8.3
85.06553	4.4
91.03966	4.1
91.05491	100.0
92.05824	4.5
93.07053	69.0
94.25325	3.0
95.04990	21.4
95.08622	52.9
97.06527	13.2
97.10175	12.8
98.20713	6.3
99.04453	3.6
99.08115	5.0
103.05466	4.6
105.04533	3.4
105.07037	89.5
107.04964	13.3
107.08596	37.2
108.41293	3.7
109.06535	17.1
109.10172	11.1
111.08107	8.6
115.05466	5.9
116.06219	6.6
117.07031	52.1
119.04942	6.1
119.08596	49.6
121.06524	16.2
121.10143	25.1
123.08090	15.7
123.11716	3.9
125.09627	10.5
128.06247	28.0
129.07034	34.7
130.07787	11.2
131.08578	87.5
133.06502	11.5
133.10150	30.6
135.08086	12.9
135.11729	8.7
137.06004	3.6
137.09662	7.6
139.03915	7.9
139.11188	6.4
141.07005	10.8
142.07774	9.5
143.08577	81.9
143.09705	4.5
145.06432	4.8
145.10132	77.3
147.08063	15.0
147.11691	17.8
149.09648	12.0
151.11208	5.7
155.08591	14.8
157.10144	23.2
159.08118	7.5
159.10521	3.6
159.11705	23.3
161.09671	18.0
161.13301	3.9
163.07510	4.0
163.11183	7.0
165.06978	4.2
167.08577	5.5
169.10094	15.1
171.11685	18.8
173.11900	3.2
173.13322	4.2
175.11198	10.0
177.12764	4.8
178.15984	6.8
181.10159	15.1
183.11703	9.3
185.13234	9.5
187.14799	3.3
189.11249	3.7
193.12346	3.7
195.11649	21.7
199.11368	3.4
201.12706	4.1
211.13211	4.4
213.12717	5.3
219.11551	3.9
227.17990	6.6
231.13863	4.1
237.16428	14.4
243.09111	4.9
245.19052	8.7
255.09126	4.2
255.17561	15.9
267.08981	10.8
269.12451	5.9
273.18463	45.1
283.06137	3.9
285.10120	13.4
291.19531	13.0
347.22321	21.1
365.23441	12.3
368.23822	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01879	9.8
55.05513	17.3
56.96568	9.1
57.03440	53.6
57.07081	2.9
61.02906	3.7
65.03930	4.8
67.05508	64.8
69.03423	6.7
69.07072	17.6
70.26124	3.8
70.26482	4.2
71.04992	6.9
73.02928	3.3
73.84663	1.5
79.05499	35.9
81.03411	8.4
81.06590	2.2
81.07062	33.4
83.04980	4.1
83.08608	6.5
85.02900	4.3
85.06552	38.2
91.03952	3.4
91.05484	29.2
93.07053	32.0
95.04978	61.0
95.08612	23.8
97.02895	6.4
97.06538	6.8
97.10164	5.3
98.97597	3.2
99.08052	2.2
105.07030	21.8
107.04955	14.3
107.08616	22.4
109.02863	2.3
109.06523	44.4
109.10165	7.3
109.48120	1.6
111.04453	2.9
111.08090	3.3
113.06015	100.0
116.98519	1.6
117.07021	10.6
119.08604	17.5
121.06525	6.0
121.10165	10.4
123.08088	5.9
125.09658	3.1
129.07005	7.3
131.08589	14.4
133.06502	3.7
133.10146	13.8
135.08055	36.9
135.11661	9.2
137.09627	3.2
141.07022	2.8
143.08583	8.2
145.10147	12.4
147.08047	5.6
147.11710	5.8
149.09602	7.6
149.13298	3.4
151.11154	2.4
157.10110	7.0
159.11719	5.2
161.09648	7.5
161.13243	3.9
163.11200	3.3
165.09041	2.1
165.12747	2.3
169.10106	2.2
171.11768	5.8
173.11882	1.9
173.13356	4.7
175.11176	2.1
177.12723	4.1
185.13286	3.3
195.11913	2.1
195.13826	2.8
199.11205	2.2
199.14848	2.9
201.12822	3.2
207.11655	2.0
217.15915	11.7
219.13753	1.9
223.13324	5.7
227.18001	1.8
233.15341	2.9
241.07220	1.8
245.19009	3.7
249.14459	2.1
255.09076	2.3
267.09061	6.0
269.10629	2.9
273.18500	25.3
276.57504	1.7
285.10083	7.2
287.89410	1.7
291.19550	45.2
301.13156	2.0
347.22659	1.9
365.10611	2.1
365.23251	23.6
365.31760	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.8
55.01880	19.1
55.05517	35.1
57.03440	30.2
65.03934	3.7
67.05509	89.9
69.03421	7.7
69.07069	27.6
69.45203	17.7
71.04984	8.7
79.05497	72.9
81.03424	16.4
81.06590	4.9
81.07060	100.0
83.01328	3.5
83.04988	21.9
83.08617	13.5
85.02919	5.6
85.06527	8.4
91.05488	88.0
93.06488	3.8
93.07048	68.2
95.01352	2.9
95.04971	23.8
95.08616	33.8
97.02897	4.6
97.06523	10.7
97.10150	3.6
98.21539	4.1
103.05426	3.3
105.04517	5.6
105.07034	71.5
107.04969	25.3
107.08605	51.5
109.06556	19.0
109.10165	45.7
111.04431	4.3
111.08067	14.1
112.63628	2.4
113.06042	3.7
115.05406	5.0
117.07008	19.1
119.08575	23.0
121.06521	18.9
121.10157	14.0
123.04416	5.3
123.08052	10.0
123.11731	13.6
125.06000	4.2
127.07536	3.4
128.06259	4.4
129.06995	10.1
131.08577	25.8
133.06520	19.2
133.10135	97.7
135.08076	23.4
135.11702	12.3
137.05936	4.0
137.09654	5.5
139.07509	7.8
143.08557	10.9
144.03706	2.4
145.06483	3.9
145.10135	18.9
147.08028	7.8
147.11670	10.1
149.09625	19.6
149.13339	3.5
151.11191	44.3
157.10141	7.8
159.08043	9.1
159.11708	5.9
161.09631	11.7
161.13292	5.1
163.11159	4.6
165.09120	2.7
169.12257	8.7
171.11679	8.8
173.09615	3.3
173.13084	2.5
175.11226	9.1
177.09077	10.6
177.12672	3.7
179.10587	4.7
181.10158	2.9
181.12148	2.7
185.13257	4.1
189.12779	2.9
193.12358	3.0
195.13641	3.1
199.11140	3.3
203.14525	2.6
207.13721	3.5
217.12320	3.1
223.13275	3.3
227.17966	3.4
231.13832	3.1
245.18987	11.7
251.12697	4.2
253.14331	22.9
255.17368	4.6
263.20013	12.8
267.09052	7.7
269.10916	4.7
269.13870	7.4
273.18536	41.5
285.10028	5.0
291.19571	36.7
347.22012	4.1
365.23230	51.5
365.33539	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13264	1.7
51.48494	1.6
53.03942	6.6
55.01872	14.1
55.05513	36.2
57.03443	22.3
57.07059	4.8
58.54158	2.0
59.05007	11.8
65.03936	2.9
67.05506	69.6
69.03427	16.7
69.07071	52.1
71.04979	7.6
79.05495	56.0
81.03406	11.9
81.07064	60.1
83.04977	13.9
83.08623	16.2
85.06529	5.8
91.05487	49.4
93.07048	43.0
95.04974	16.8
95.08610	32.5
97.02885	15.1
97.06540	9.3
97.10178	15.4
98.21515	5.3
101.02296	1.9
105.04516	2.4
105.07033	43.4
107.04967	16.2
107.08600	33.5
109.06516	10.1
109.10159	33.6
111.08082	7.1
113.05987	2.8
115.05454	3.8
117.07030	13.3
119.08587	18.3
120.91858	1.8
121.06499	7.6
121.10152	12.4
123.08072	10.0
123.11687	5.6
125.09633	11.0
128.06209	3.3
129.07007	4.2
131.08591	19.8
133.06487	8.5
133.10144	41.8
135.08058	14.0
135.11716	9.1
137.09612	7.2
142.07704	1.8
143.08569	7.0
145.10124	8.7
147.08057	8.6
147.11717	7.7
149.09621	7.5
149.13271	3.4
151.11180	19.2
156.06877	2.1
157.10149	6.9
159.08055	2.8
159.11690	4.4
161.09612	7.2
161.13248	2.9
163.11171	4.4
165.09152	3.6
169.10052	2.0
169.12309	3.5
171.11655	5.2
173.09627	3.2
173.13269	3.2
175.11189	4.0
177.09138	5.4
177.12761	3.3
184.07394	4.4
185.13336	2.1
189.11179	4.6
189.12773	3.3
195.10141	2.3
195.13835	3.1
203.14323	3.5
223.13260	26.8
227.18082	2.7
245.18942	5.3
253.14352	11.2
255.17365	3.1
263.20111	8.0
269.13919	3.8
273.18491	28.3
276.57999	2.1
291.19550	100.0
292.19833	2.8
297.59650	1.9
339.88824	2.0
347.22266	2.7
365.23270	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
55.01878	6.5
55.05513	30.5
55.36571	1.0
56.96563	3.3
57.03435	10.5
61.02919	1.9
65.03931	1.5
66.38760	1.0
67.05506	36.4
69.03087	1.2
69.03432	13.3
69.07072	44.6
69.28184	7.8
69.28599	2.5
71.04986	4.6
72.41396	1.0
73.02917	1.5
79.05499	26.5
81.03422	7.3
81.07056	25.8
83.04986	5.4
83.08620	12.1
85.02909	2.0
85.06532	1.1
91.03957	1.2
91.05483	18.8
93.07041	23.4
95.04968	8.9
95.08062	1.4
95.08615	14.8
97.02905	16.5
97.06535	4.5
97.10178	16.0
98.97606	1.5
105.07030	12.3
107.04958	7.2
107.08610	14.9
109.06519	4.2
109.10172	11.3
111.08083	2.1
117.07031	7.4
119.08582	12.2
121.06507	2.4
121.10144	6.0
123.08084	5.0
125.09641	12.4
128.06262	1.9
129.06996	3.1
131.08551	5.1
133.06508	3.1
133.10124	4.2
135.08052	5.7
135.11674	3.1
137.09625	3.9
143.08540	2.6
145.10130	6.6
147.08047	6.1
147.11708	3.0
149.09631	3.0
149.13268	2.7
157.10095	2.9
159.11719	3.4
161.09595	3.0
163.11171	1.4
165.09099	3.0
171.10228	1.3
171.11673	1.7
175.11235	1.9
177.12775	2.6
189.11278	6.7
189.16257	1.1
193.12238	1.7
195.13760	2.7
201.16461	1.2
205.12263	3.4
211.13162	1.4
223.13274	31.0
227.17999	1.3
245.19002	1.9
255.17487	1.5
257.10739	1.3
263.19931	2.1
267.09055	7.8
269.10510	1.4
273.18539	15.3
284.12701	1.8
285.10080	12.0
287.11627	1.9
291.19553	100.0
292.19858	2.1
301.13171	2.5
318.67352	1.2
348.93134	1.2
365.23230	39.3
366.23602	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43422	0.9
55.01860	1.1
55.05498	5.6
55.54409	1.1
56.05035	1.6
56.96564	2.2
57.03419	2.0
61.02909	1.9
61.77997	1.0
67.05511	5.8
68.05012	1.4
69.03411	2.4
69.07053	3.4
69.31342	2.2
69.31755	6.3
70.06573	1.7
73.02897	1.2
79.05488	8.3
80.05028	7.1
81.03409	3.1
81.07055	12.1
83.04955	1.7
83.08623	1.1
85.02898	3.1
91.05476	11.6
93.05799	2.9
93.07043	14.8
94.06556	2.0
95.04965	3.3
95.08614	6.6
97.02915	2.3
97.10223	1.2
97.89902	1.2
98.09702	3.9
103.05495	1.3
105.07037	7.0
106.06574	1.0
107.04934	1.7
107.08580	6.5
108.08120	78.5
109.06501	1.1
109.08900	4.1
109.10156	3.0
110.09689	17.0
115.05452	2.1
117.07021	5.1
118.06542	44.4
118.07372	2.4
118.73945	0.9
119.08585	6.0
121.02881	1.0
121.06511	1.8
121.10158	3.0
122.09662	2.8
123.08053	2.0
129.07030	2.9
130.06535	26.2
131.08536	2.5
133.10136	3.4
134.09676	4.6
135.11668	2.0
136.11223	2.4
137.05884	1.0
138.05522	1.6
142.06508	4.7
143.07335	5.2
143.08409	1.3
144.08087	25.5
145.10155	2.7
146.06012	100.0
147.06314	1.4
147.08136	1.7
147.11713	2.4
148.07523	1.8
149.02222	1.4
149.09615	1.6
149.13338	1.3
157.10216	1.4
160.07588	2.5
161.13159	2.4
163.11197	1.4
165.07956	1.4
166.08649	10.2
168.10252	1.7
170.06003	8.9
171.11624	1.6
175.11217	1.4
176.14346	2.3
178.15907	73.8
188.07065	78.6
190.15930	3.5
210.13069	1.3
234.14894	3.5
236.16457	21.8
259.08514	1.1
267.09009	2.4
269.12466	1.7
273.18353	1.4
283.05972	1.2
283.08777	2.1
285.10004	6.7
291.19659	1.6
295.14441	8.5
297.16040	5.4
365.22220	54.9
366.22647	2.8
382.81610	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.1
55.01884	6.8
55.05516	35.1
57.03441	12.2
59.04986	1.3
65.03944	1.4
67.05509	33.9
69.03435	12.8
69.07073	46.4
69.82765	5.9
71.04970	1.3
72.93810	1.1
76.19135	1.1
79.05075	2.2
79.05499	32.1
81.03421	7.3
81.07063	30.5
83.04974	5.5
83.08625	10.4
85.06534	1.7
89.11447	1.0
90.58653	1.1
91.05485	18.5
93.07047	19.5
95.04979	11.0
95.08620	13.8
97.02901	15.5
97.06525	3.1
97.10175	17.7
98.21526	2.2
105.07040	12.3
107.04959	7.6
107.08599	17.9
109.06511	4.7
109.10149	13.0
111.08093	2.1
115.05467	1.4
117.07023	7.1
119.08589	13.8
121.06503	2.7
121.10151	6.0
123.08069	4.0
125.09634	14.3
128.06175	1.1
129.06998	2.6
131.08560	9.2
133.06500	1.2
133.10139	5.7
135.08067	4.9
135.11691	4.1
137.09615	3.8
143.08612	3.4
145.10120	5.1
147.08104	5.7
147.11699	3.0
149.09682	2.3
149.13277	2.7
151.11115	1.5
153.09096	1.5
154.34869	1.2
157.10178	3.7
159.11671	3.5
161.09602	3.3
161.13313	1.3
163.11224	2.8
163.12613	1.0
165.09100	1.7
171.10201	1.1
171.11639	1.6
172.20093	1.3
173.11858	1.7
175.11203	1.5
177.12741	2.2
181.10091	1.8
187.11465	1.1
189.11223	6.0
195.13837	1.8
205.12291	1.6
223.13295	36.3
227.12769	1.2
245.19081	3.0
255.17415	1.7
263.20050	2.3
273.18469	12.9
291.19562	100.0
292.19922	2.6
365.10648	2.4
365.16037	1.4
365.23282	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12875	0.8
55.01853	0.7
56.20698	0.8
61.59658	0.9
65.03959	1.1
67.05489	2.8
69.05914	0.8
70.10526	1.6
70.10918	1.7
79.05485	1.5
81.07053	3.1
87.02728	1.0
88.82746	0.8
91.05477	1.2
92.05022	1.1
93.07034	0.9
94.06559	1.5
95.04977	1.1
96.08143	1.6
98.21433	1.1
99.32607	0.9
102.14965	0.9
105.07027	0.9
110.94075	0.8
113.00679	0.9
114.43678	0.8
119.08643	1.1
122.06013	4.3
123.06797	1.2
123.11739	0.9
123.34189	1.0
130.39262	0.9
136.07550	1.4
137.04686	2.5
139.02113	1.0
150.01300	1.1
151.06319	6.8
152.07072	86.6
165.03728	5.3
166.08649	53.1
182.09641	1.1
182.28732	0.8
194.08138	100.0
195.08444	1.3
197.06989	1.1
198.07755	1.1
199.12317	2.0
203.04977	0.8
210.09079	2.9
212.09192	92.3
213.10118	1.9
218.10059	1.0
225.06671	0.9
227.04930	0.8
227.11784	8.0
240.08955	2.5
241.09676	6.8
255.11314	26.8
257.12772	1.2
283.10791	3.9
299.60757	0.8
301.11813	11.1
326.50177	0.9
365.06467	1.7
365.15305	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	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00415	0.4
69.41196	2.3
69.41615	1.3
79.03738	0.5
137.61017	0.4
173.03020	0.5
185.04225	25.4
203.05272	51.1
245.05086	1.6
258.00729	0.6
317.37585	0.5
365.10580	100.0
366.10858	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	365.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02123	1.0
56.96571	13.8
57.03438	2.3
58.99882	1.1
64.56725	1.0
69.03424	4.1
70.98129	1.9
71.50789	1.9
71.95242	1.6
73.02898	1.6
74.06093	1.4
81.03420	1.6
82.99857	3.2
84.96017	2.9
85.02893	8.3
85.06544	3.2
88.59064	1.3
88.99176	2.1
97.01370	1.4
97.02897	3.7
98.97591	40.7
101.00883	10.2
103.00640	1.9
109.02899	2.0
110.97578	11.0
112.99178	1.3
113.00867	7.2
113.04489	1.6
115.02416	4.2
116.98624	9.0
119.01177	1.3
119.01900	7.5
122.01372	1.9
124.95461	7.0
124.99128	1.6
127.02436	2.6
127.03926	1.4
128.98634	9.7
129.04007	1.2
130.93399	1.4
131.00124	1.2
131.01923	12.6
131.05557	16.2
133.01688	1.2
133.03496	4.8
137.00864	1.2
140.98544	1.4
142.96523	5.2
143.00148	4.1
143.01927	9.4
143.05533	2.7
145.01695	1.6
145.03497	4.9
146.99689	5.4
149.06599	11.5
152.94958	2.9
153.01830	2.3
155.01910	11.2
155.05519	2.3
157.01707	2.5
157.03444	4.3
158.99661	4.0
159.05084	3.4
160.97597	1.2
161.01231	1.9
161.02960	6.5
161.06602	14.7
167.05539	2.3
169.03441	1.4
170.96001	7.3
170.99747	5.9
171.01076	1.4
171.05031	2.6
173.02977	12.8
173.06589	12.0
174.99167	5.3
175.04553	2.7
177.00664	3.2
177.02213	1.1
179.07668	3.3
182.01736	1.1
184.97672	6.3
185.01448	1.7
185.02942	8.1
185.04344	4.6
185.06595	11.5
186.99141	1.3
187.08134	3.3
188.97090	8.8
188.98595	1.3
188.99229	1.1
189.00699	7.7
189.06171	1.6
192.82629	1.3
193.00195	2.7
197.02985	3.4
197.06682	5.8
199.08208	3.3
201.06140	1.4
202.98624	6.0
203.03931	6.2
203.05334	10.9
203.07663	25.0
206.98232	1.9
207.01740	3.4
209.06621	5.1
212.97095	3.1
214.98515	1.3
215.04114	2.3
215.07643	31.2
217.00224	3.0
217.09271	4.7
219.01714	6.5
220.99771	1.9
221.05072	12.8
223.04771	1.4
227.07690	2.8
230.98141	12.3
235.01230	2.4
237.02853	10.9
239.07693	7.7
242.98152	1.4
244.99706	6.8
245.05106	12.4
245.08794	3.3
248.99225	1.8
255.03748	3.0
257.08792	3.5
260.99026	1.4
261.08203	2.3
263.00842	8.8
263.06186	3.6
265.05994	2.2
275.09891	6.8
279.09244	3.9
287.09882	2.7
293.05328	1.3
296.64920	1.2
303.01248	3.1
305.05209	2.4
305.10834	100.0
306.11096	4.2
323.11938	11.6
333.01190	2.7
333.05005	2.9
365.10327	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	365.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	14.4
57.17664	1.6
69.03422	3.9
70.98115	4.5
71.50806	2.5
73.02923	2.0
84.96027	3.8
85.02909	6.4
85.06543	2.3
88.87803	2.3
88.99117	2.5
97.02886	5.8
98.97591	35.1
101.00900	13.0
103.00637	7.1
110.97583	13.4
112.10507	2.0
112.99135	3.7
113.00885	6.6
113.04490	2.8
115.02457	6.0
116.98634	7.1
117.04009	2.8
119.01952	9.4
121.01701	3.0
124.95499	6.8
127.02431	3.2
127.03923	3.5
128.98607	9.5
129.03952	4.1
131.00212	2.1
131.01929	12.4
131.05573	18.6
132.92674	1.7
133.01680	2.9
133.03496	6.8
137.00854	2.5
139.02449	3.4
140.98624	2.2
142.96518	4.2
143.01912	11.9
143.05481	3.1
145.01703	2.9
145.03497	10.3
145.04625	1.8
146.99649	5.5
147.03214	2.1
149.01202	2.5
149.06592	7.8
152.94920	2.4
153.01825	3.9
155.01918	15.0
155.05533	4.0
157.01677	6.7
157.03497	5.9
158.99698	4.0
159.03258	5.2
159.05017	3.6
161.02997	5.9
161.06613	13.0
167.01901	3.0
169.03400	2.1
170.96037	7.4
170.99681	7.4
171.05080	4.9
173.01595	2.1
173.03026	12.7
173.06686	13.2
174.99229	2.8
175.02786	6.3
175.04576	3.0
177.00734	3.5
177.04271	3.4
178.71411	1.8
181.56310	2.0
184.97630	6.4
185.02945	7.1
185.04323	4.9
185.06651	11.7
187.02736	3.7
187.08229	4.4
188.97118	6.3
189.00656	10.3
189.04361	2.1
189.06065	4.3
191.03938	2.8
197.02943	2.6
197.06557	4.6
199.08203	4.0
202.98598	4.2
203.02205	4.4
203.03702	3.9
203.05328	16.9
203.07680	23.0
205.03795	4.3
207.01917	3.3
209.06628	5.3
212.97162	2.5
215.04109	4.4
215.07631	24.1
217.00227	4.3
217.09219	4.3
219.01819	7.4
221.03271	3.2
221.05066	15.6
223.04842	3.2
227.07823	2.2
230.98204	9.1
235.01198	3.2
237.02812	9.0
239.07642	9.6
244.99875	4.2
245.05087	13.7
245.08836	4.5
245.57106	2.0
249.02794	2.0
255.03847	2.9
257.08649	6.0
261.08444	2.2
263.00748	5.5
263.56335	1.7
265.05988	3.1
270.66187	2.1
273.02661	3.3
275.09830	4.4
277.03473	3.1
279.09265	5.8
287.09830	2.8
301.02277	6.2
303.01450	4.6
305.02130	2.6
305.05405	8.4
305.10858	100.0
306.11243	2.5
320.73810	2.1
323.11975	6.5
333.01288	3.7
333.04913	19.1
365.11136	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	364.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
55.01867	0.7
55.05524	0.8
60.04511	0.6
64.27589	0.6
67.05483	1.1
69.03433	1.0
70.06577	1.0
71.04990	0.5
71.50924	0.9
72.08136	0.8
75.09683	0.7
78.04730	3.0
79.05489	1.9
81.03412	1.0
81.07053	1.0
81.32727	0.6
81.84022	0.5
84.04494	0.8
85.02895	2.0
86.09729	0.9
91.05463	0.6
93.07017	1.2
95.08600	1.0
97.02895	0.9
105.07040	0.8
106.04166	1.1
109.02892	0.8
109.10191	0.6
121.06400	0.6
121.10236	0.7
123.04428	6.0
124.05201	1.5
127.03925	0.7
134.03729	0.7
149.09653	0.8
151.03889	0.9
152.04704	1.8
167.07053	100.0
167.10698	1.7
168.07324	0.8
202.10805	1.7
202.14304	0.6
233.37918	0.6
304.01843	0.6
312.36630	0.7
364.16278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11476	1.2
69.03423	1.9
71.11445	1.6
78.04707	2.4
79.05471	1.7
79.31064	1.1
81.03394	1.2
82.55829	1.2
85.02903	5.7
93.96836	1.2
97.02942	1.5
98.97617	1.8
106.04194	1.4
109.02852	1.7
113.53234	1.2
123.04418	4.2
124.05206	2.8
141.00125	1.5
152.04710	1.6
156.13832	2.8
162.41685	1.1
167.07043	100.0
184.09612	1.3
202.14404	3.6
222.71761	1.4
332.99042	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39526	1.5
61.06714	1.7
65.50421	1.7
69.03436	3.3
70.06580	3.4
70.09130	4.1
70.09523	4.1
78.36844	1.7
81.03410	3.8
81.07064	1.6
84.08156	2.8
85.02908	1.8
86.09711	2.7
89.03872	1.6
91.05466	1.6
105.03384	5.3
123.04408	2.3
125.02348	6.6
127.03929	2.9
131.04846	2.1
133.02879	12.3
142.46335	1.8
147.04417	2.4
153.01823	6.8
155.03323	1.8
159.04414	4.3
161.02361	21.1
162.03101	10.0
165.01854	3.2
171.00777	2.2
173.02304	3.7
175.03877	2.2
177.01862	4.0
183.02904	3.5
185.04317	2.7
187.03931	3.6
189.01840	46.4
189.03557	2.4
190.02621	9.3
191.03433	6.9
193.04881	2.4
195.02841	2.1
201.01833	2.4
203.03400	1.8
205.01285	5.5
206.02164	3.1
215.03394	6.0
217.01323	84.1
218.02113	33.0
219.02802	6.4
221.04472	9.8
229.01364	2.1
233.04431	3.8
234.01556	14.1
235.02443	10.0
240.95538	1.6
243.02893	5.8
245.00833	42.6
246.01495	3.7
247.02269	3.0
249.03951	93.6
250.04343	2.9
261.04047	8.1
263.01855	3.9
271.02191	4.0
273.00302	68.5
274.01056	30.8
277.03439	18.4
287.01874	5.0
289.03372	21.2
291.01328	17.6
300.99808	100.0
302.00159	2.3
305.02939	24.6
315.01373	4.3
319.00748	8.8
333.02399	89.3
334.02628	3.0
347.12317	2.3
351.03625	2.6
365.06189	3.3
365.10516	3.9
365.21689	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	363.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.2
56.09921	0.5
57.07085	5.4
59.05000	0.9
67.05511	5.7
69.07081	4.8
71.04993	1.1
71.08634	4.4
79.05499	3.6
81.07069	10.0
83.08612	1.8
85.06532	2.3
89.06030	2.6
91.05486	2.5
91.84484	0.6
93.07063	5.1
95.08607	8.6
97.06530	1.3
97.10191	1.4
99.08097	2.9
105.07056	3.3
107.08624	3.8
109.06528	19.6
109.10147	2.8
111.08113	0.8
119.08606	3.4
121.10155	3.2
122.07291	1.9
123.08076	33.1
123.11707	1.7
124.98600	0.7
126.13282	0.6
133.08606	1.2
133.10168	2.3
135.08031	3.9
135.11632	1.1
137.09641	1.8
145.10110	0.9
147.11736	2.1
149.09645	0.9
149.13293	0.9
159.11719	0.8
165.12778	1.5
167.14314	1.0
179.14328	100.0
180.14662	0.9
182.80963	0.6
193.15897	2.9
195.12343	1.0
215.17937	0.7
251.04778	0.6
267.23648	0.6
307.22668	2.4
331.26349	5.4
363.28961	90.8
364.29303	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	363.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
55.82155	0.4
57.03435	0.5
60.10136	0.4
67.05488	0.7
71.02905	0.8
73.89008	0.3
79.05490	0.9
81.07063	1.1
81.53430	0.3
91.05489	1.9
93.07067	0.7
95.08564	0.5
100.60716	0.3
101.67288	0.4
105.07018	0.8
107.08571	0.7
115.05463	1.2
117.07052	1.9
118.06551	29.4
119.07378	0.5
119.08573	1.1
121.10149	0.7
123.07990	0.5
132.08128	1.9
133.10243	0.4
135.08044	0.6
142.06540	2.1
143.07307	2.5
143.08287	0.4
144.04460	0.7
144.08099	10.0
145.10141	0.6
146.06020	41.7
146.09676	1.7
147.06384	0.6
157.10162	0.4
160.07524	0.7
170.06018	4.0
176.14359	100.0
177.14677	1.8
188.07082	27.6
202.35963	0.4
216.13919	1.2
234.14890	2.0
267.08823	0.4
268.98944	0.4
311.93604	0.4
314.06488	0.5
345.13370	0.7
363.20712	22.8
364.20856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2895
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
55.05518	8.9
57.07071	2.3
58.49593	0.7
59.52475	0.7
66.83005	0.7
67.05512	6.1
69.07073	11.7
70.63872	1.3
70.64283	1.3
71.04999	1.6
71.08636	0.9
73.06543	0.8
79.05491	4.5
81.07066	11.4
83.04970	1.3
83.08620	5.2
89.06039	1.5
91.05473	2.9
93.07058	6.7
95.04968	1.6
95.08619	9.6
97.06532	2.6
97.10149	1.4
105.07020	4.6
107.08602	5.7
109.06523	8.5
109.10142	3.6
111.08101	2.3
119.08611	4.9
121.06519	1.3
121.10159	4.2
123.08074	56.1
123.11719	2.1
125.09633	1.1
131.08549	1.1
133.10138	2.7
135.08058	5.2
135.11690	2.4
136.08824	1.1
137.09622	4.9
137.13187	0.9
145.10106	2.1
147.11734	2.1
149.09669	1.8
149.13243	2.8
151.11215	0.9
159.11702	2.2
161.13303	1.0
167.14388	0.8
177.12738	0.9
179.14339	12.5
193.16013	0.8
275.20129	1.3
289.25204	1.7
303.26730	1.2
307.22601	9.6
310.55948	0.8
331.26242	5.0
363.28937	100.0
364.29251	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	363.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
75.17194	0.3
91.05457	1.3
96.30370	0.3
98.21598	0.5
103.05457	0.4
111.17522	0.3
115.05457	1.5
117.05760	0.4
117.07016	1.4
118.06550	33.1
118.85282	0.2
119.08534	0.3
121.13108	0.2
130.06508	0.5
132.08084	2.6
133.08879	1.5
134.09657	0.7
142.06516	1.8
143.07321	3.0
144.04436	0.7
144.08089	11.2
144.30272	0.3
146.06018	45.6
146.09660	2.7
147.06377	0.7
147.10435	0.3
155.06039	0.4
160.07533	0.6
160.11229	0.3
161.11932	0.3
170.06024	4.1
176.14355	100.0
177.14723	2.0
188.07077	29.9
189.07410	0.5
192.61119	0.3
193.07887	0.3
216.13867	1.0
234.14850	1.9
251.81514	0.2
262.85840	0.3
344.06290	0.2
344.66742	0.3
363.20688	20.0
364.21121	0.5
389.79886	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	361.295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.9
54.91397	5.0
55.05517	24.2
57.07066	7.7
67.05516	28.9
69.03437	8.0
69.07070	39.7
69.61546	31.9
70.06615	5.3
71.04991	9.2
76.70216	4.5
79.05493	24.1
81.03400	5.9
81.07060	100.0
83.04978	5.3
83.08627	11.2
84.08115	5.2
84.85799	4.1
85.06543	7.8
91.05482	15.7
93.07051	52.5
95.04974	16.8
95.08617	61.0
97.06542	8.4
99.08138	6.5
105.07024	22.3
107.04983	6.3
107.08620	32.4
109.06506	6.9
109.10180	28.1
111.08099	11.9
117.07030	7.4
118.20409	4.9
119.08585	11.3
121.10127	25.5
123.04433	5.4
123.08114	7.6
123.11739	28.8
125.02543	4.7
129.07062	7.5
131.08588	12.7
133.10135	6.8
135.11697	20.9
137.13333	10.5
143.54662	4.6
145.10153	13.2
147.08049	6.0
147.11690	11.2
149.13336	13.3
151.11185	6.0
153.01852	8.5
153.12764	11.5
159.11655	10.3
161.13266	5.2
163.11118	5.7
167.07013	6.0
170.09061	4.9
176.01524	5.2
181.12315	6.0
185.13257	4.7
206.50383	5.0
289.25256	7.0
295.26303	10.2
307.26340	13.1
361.20276	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	362.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54237	1.6
55.01871	4.5
60.04496	2.2
69.03432	4.2
70.06580	3.3
71.39584	2.7
72.08138	1.9
74.50653	1.7
76.94919	1.8
79.05508	2.1
79.26766	1.9
85.02920	12.4
86.81489	1.7
91.05495	10.9
95.04967	2.9
97.02884	5.5
105.07053	2.5
106.32728	1.6
107.04930	2.5
109.06541	2.5
110.07162	7.0
110.91850	1.7
113.76711	1.7
119.04942	5.5
119.08620	2.4
120.08094	2.0
123.04444	69.5
123.05341	3.4
127.03899	2.6
137.05994	100.0
138.06276	2.0
149.02361	1.9
151.02940	2.5
156.07675	4.6
161.09602	2.4
163.03952	2.4
165.05501	91.7
183.06555	50.3
207.60312	1.7
215.10626	2.3
222.88425	1.7
236.72661	1.8
382.41196	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	363.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94050	0.4
55.01868	0.7
56.47850	0.4
56.96567	5.4
57.03420	1.0
59.75664	0.4
61.02917	0.7
61.08510	0.4
69.03436	2.8
69.53271	3.0
71.95244	0.8
73.02916	1.6
81.03440	0.7
83.04952	0.5
84.96056	1.0
85.02911	4.8
86.09689	0.6
87.04494	0.5
90.81187	0.5
97.02907	2.1
98.21477	0.9
98.97588	100.0
99.97935	0.6
110.97570	3.3
112.07589	0.5
116.98627	25.0
117.48959	0.5
117.99218	0.4
119.01842	0.9
119.51944	0.4
123.01601	0.4
127.03918	1.5
128.04295	0.5
128.98611	2.2
134.98698	0.6
134.99634	3.5
135.04456	0.4
140.00145	0.6
143.00218	1.0
143.01910	1.2
145.04945	1.2
152.98738	0.5
153.01807	2.4
158.99666	51.7
159.99968	0.9
161.01427	0.5
161.02933	1.3
163.03888	1.0
170.99680	1.5
173.12808	0.5
174.02776	0.4
177.00720	31.4
182.03329	1.0
182.53563	1.1
182.99713	0.8
186.04378	0.7
189.00677	1.1
191.03917	3.0
191.54086	1.8
192.04222	0.6
195.01819	1.4
200.02512	1.0
200.04468	2.3
200.54575	1.2
201.00737	1.4
201.04375	1.4
201.06160	1.1
210.72025	0.5
215.05885	0.5
219.01773	26.9
220.02040	0.5
225.04350	0.6
237.02806	3.1
243.01787	0.7
243.05301	2.2
248.53180	0.5
261.02844	1.3
279.03961	0.9
281.57251	1.7
303.07474	8.8
321.08588	10.4
321.12338	0.7
337.49603	0.5
363.09579	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	361.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.7
57.03426	3.7
57.20873	3.3
60.04516	5.3
69.03434	5.9
69.07069	5.4
69.64077	24.3
70.06594	12.7
72.08158	4.9
74.51988	3.7
75.82451	4.1
79.05490	14.0
81.07043	5.0
84.04492	8.7
84.08138	7.8
85.02910	12.6
86.09689	12.7
91.05490	12.5
91.30882	4.3
93.07047	17.5
95.05000	6.7
97.02898	6.2
105.07001	4.0
109.02990	3.7
111.08115	4.7
121.06511	18.7
123.04457	8.7
123.07986	4.8
127.03905	6.5
131.04970	8.2
136.03888	4.2
137.05972	17.3
139.07544	16.5
140.07066	5.7
149.05981	16.0
153.01878	6.4
155.07060	4.8
163.04016	4.9
163.07541	10.7
164.04279	4.0
165.05490	4.0
167.05653	5.8
167.07050	100.0
199.09680	37.5
207.08142	5.2
229.04919	4.2
235.07527	5.9
255.02922	4.2
315.35803	4.3
361.09915	8.1
361.14404	6.3
361.18277	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	361.1131
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01872	2.5
57.03447	1.7
61.02924	2.5
65.03948	1.3
69.03445	4.1
69.66662	0.8
70.00713	4.1
70.06596	1.0
73.02907	0.8
79.05492	1.7
81.03422	2.4
84.04529	1.3
84.08163	1.0
85.02913	14.1
86.09720	5.0
91.05479	1.6
93.03420	2.2
95.04956	1.0
97.02921	5.6
98.21535	1.0
98.97583	2.5
109.02876	1.9
116.98618	1.0
120.02003	0.9
121.02876	1.3
123.04453	1.1
125.06001	3.0
127.03927	2.0
128.98599	0.9
137.05966	2.6
140.04710	1.8
145.04996	2.5
153.01860	3.4
153.05479	100.0
154.05814	2.4
154.08640	1.3
155.06979	1.0
163.03917	1.1
165.05492	1.5
177.05595	2.2
181.03384	1.9
181.04970	24.2
182.08122	4.1
195.06480	1.2
199.06041	37.2
200.09187	2.9
237.02861	1.2
247.14314	0.9
261.07309	0.9
268.02789	1.1
328.78000	1.1
356.83038	1.0
361.14621	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	360.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69825	12.5
55.05502	41.3
67.05507	76.3
69.07056	41.5
70.79968	35.7
71.04990	88.8
76.91290	10.7
79.05513	78.8
81.07043	36.8
83.08605	14.1
85.76209	11.1
91.05493	30.4
93.07051	76.0
95.08610	22.2
97.10186	19.5
98.20822	12.1
102.88631	10.5
104.71774	11.6
105.07026	14.0
107.08582	51.2
109.10168	61.8
114.43726	10.9
121.10126	67.6
125.09618	25.8
133.10164	14.4
145.22177	13.6
147.11717	18.6
153.12759	48.7
155.10654	33.2
166.08643	13.2
173.11768	100.0
179.70334	11.8
189.11180	30.8
275.20062	39.3
277.93802	12.9
285.67072	12.3
368.96259	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	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94687	11.4
54.98032	10.5
55.01872	14.5
55.05508	59.6
55.57072	11.1
67.05515	95.6
69.07071	42.6
71.04987	79.5
71.51389	11.7
71.51768	15.0
79.05491	100.0
81.07078	53.4
83.08627	19.8
91.05492	37.3
93.07045	95.9
95.04945	20.7
95.08616	48.6
97.06538	20.2
97.10191	37.2
99.88467	10.7
102.05304	11.5
105.07018	32.7
107.04926	13.0
107.08619	81.7
109.10198	78.7
119.08598	20.5
120.08116	17.9
121.10153	86.4
125.09689	20.8
127.50034	9.6
131.08420	9.8
133.10155	18.8
135.11702	10.8
139.81595	9.9
149.09686	14.5
153.12717	57.5
155.10663	12.9
167.55678	9.8
167.97438	12.3
169.09982	12.3
173.11761	85.5
189.11212	32.5
272.09949	10.7
275.20132	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	15.0
55.01880	14.5
55.05514	20.7
57.03433	9.2
63.77058	8.9
67.05513	66.4
69.03428	17.5
69.07082	54.9
71.04991	25.3
71.51762	14.0
79.05480	44.3
81.03452	22.9
81.07070	100.0
83.04984	15.0
83.08609	22.1
84.08118	10.0
85.06548	23.8
86.17839	9.7
91.05470	47.2
93.07043	85.6
95.04976	18.5
95.08620	86.6
97.06555	22.2
105.07030	55.1
107.04944	19.6
107.08615	54.1
109.02885	25.3
109.06493	14.2
109.10127	48.8
111.08086	14.4
117.07011	15.6
118.40159	9.8
118.85246	10.9
119.08572	47.9
121.06493	16.1
121.10150	57.1
122.29663	11.2
123.04434	21.2
123.11682	26.5
125.06023	11.7
129.07014	11.6
131.04958	11.5
133.06526	16.7
133.10129	30.7
135.11711	39.5
137.05980	25.6
137.09575	14.4
137.13237	9.9
142.07729	10.8
145.10103	15.3
147.11775	15.7
148.47617	9.9
149.09636	12.2
149.13141	14.0
153.12706	11.2
157.10156	16.1
159.08167	10.2
159.11612	15.3
161.09689	14.8
161.13257	24.0
163.07521	16.5
171.11765	11.0
181.12250	13.3
305.24725	10.3
327.07779	10.7
350.37473	12.1
359.14819	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	360.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
65.03954	0.9
69.03423	1.3
69.67153	3.5
69.72573	0.7
70.06577	2.7
81.03437	1.0
81.07067	1.0
84.04507	1.6
85.02904	3.1
86.09711	2.2
91.05470	1.0
93.07035	0.8
107.04961	2.0
109.67950	0.7
121.02859	2.6
121.03998	0.8
133.02840	3.1
135.04410	1.9
135.08046	0.8
147.04436	0.8
149.02345	100.0
163.03912	66.3
163.07506	4.6
174.08740	0.8
181.04962	27.5
181.06560	1.6
202.10789	1.0
263.49008	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.0
55.59696	1.5
57.03436	4.0
57.07082	5.3
60.20975	2.0
65.76072	1.9
67.05509	21.4
69.07063	5.4
69.14581	4.1
69.14992	17.7
71.04997	5.4
71.08635	16.9
79.05494	12.6
79.07534	1.9
81.03435	2.6
81.07063	16.2
83.04969	7.5
83.08595	3.0
85.06546	2.9
88.07631	2.8
91.05496	6.3
93.07046	10.1
95.04968	9.2
95.08627	10.8
97.06518	3.8
99.08109	18.8
103.05505	2.3
105.07047	3.3
107.04949	2.6
107.08592	3.8
109.10139	6.4
117.07045	2.9
119.08585	3.9
121.10150	3.9
123.04436	100.0
125.09571	2.9
127.11208	6.3
131.04889	4.5
135.11752	2.3
137.06000	3.7
145.06520	5.8
149.05977	10.8
153.12794	3.4
161.05978	2.3
163.07542	15.4
215.28476	2.1
224.00500	1.9
254.25076	2.1
264.28427	2.2
271.63623	1.9
305.44055	2.3
341.24826	7.0
359.25854	40.4
359.37195	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	359.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.05518	9.4
57.07082	1.4
63.56128	1.1
67.05516	17.5
69.07066	5.1
71.05006	1.9
71.51330	1.0
71.51712	1.9
73.92245	1.1
79.05493	7.7
81.07064	16.6
83.08630	3.8
85.06483	1.4
91.05476	5.4
93.07051	11.9
95.04969	7.2
95.08617	13.4
95.09190	1.6
98.03651	1.0
99.08122	1.3
103.05488	4.4
105.07027	4.4
107.04967	2.3
107.08611	7.3
109.06585	1.7
109.10178	8.3
109.10815	1.3
115.05466	1.4
117.07032	9.7
119.08576	2.3
121.06500	1.7
121.10133	5.9
123.04435	100.0
123.11741	1.8
128.32883	1.2
129.07062	2.1
131.04961	9.2
131.08588	3.1
133.06477	1.9
135.04384	1.3
135.11696	7.8
137.05962	9.4
143.08589	1.7
145.06485	16.3
145.10117	1.4
147.08032	2.1
149.06003	21.3
149.13254	3.9
151.07503	1.6
157.06474	2.1
159.08070	9.5
161.06026	4.8
163.07555	48.3
163.14825	1.7
167.34125	1.1
171.08109	1.7
173.06090	1.6
173.09618	3.4
175.07578	4.6
177.09123	8.6
185.09622	1.3
189.09113	3.0
191.10785	1.5
197.09711	1.5
203.10690	2.4
215.14360	1.9
217.12238	4.1
269.83722	1.3
289.18036	3.9
303.19662	2.0
341.24762	17.3
359.25894	27.4
359.33331	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80670	0.7
51.19982	0.7
53.03944	1.4
55.01860	1.2
57.03439	1.9
57.19635	0.9
61.02922	2.7
67.05503	1.2
69.03436	9.0
69.07075	1.3
69.42403	4.4
69.42812	1.2
71.04983	1.2
73.02920	1.5
79.05486	1.8
81.03433	3.0
81.07069	1.8
83.05009	1.0
84.11015	0.7
85.02910	29.0
85.06565	1.0
85.67238	0.7
87.04475	1.1
91.05482	5.4
93.07044	7.5
95.04961	3.4
95.08605	1.2
97.02895	6.0
99.04442	1.3
103.05502	2.1
105.07030	8.0
107.08599	20.9
107.25442	0.8
109.02875	2.9
109.06516	1.5
109.10169	2.7
113.05936	1.1
119.04905	0.8
119.08591	2.6
121.06481	1.4
123.04447	1.0
123.08050	1.3
123.11767	1.4
127.03931	4.4
131.04970	2.2
131.08551	0.9
133.10138	21.4
135.11705	22.2
137.05977	1.6
137.09659	1.5
143.08603	0.8
145.04944	3.3
151.11195	1.7
161.09630	11.6
179.10680	37.4
180.11174	0.9
187.67355	0.8
197.11743	100.0
198.12000	1.4
370.32404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85537	1.3
55.01876	2.2
55.05518	6.9
65.56544	1.1
67.05512	16.2
69.07059	4.8
69.57931	1.3
70.56498	1.4
70.56838	3.8
71.05005	1.5
79.05521	8.6
81.07063	17.3
83.08625	4.1
91.05498	4.0
93.07045	9.9
95.04991	7.5
95.08622	12.0
98.21431	1.3
103.05463	4.7
105.07036	5.0
107.04943	1.9
107.08614	6.3
109.10177	4.9
117.07040	9.6
119.08634	2.4
121.10159	7.1
123.04439	100.0
123.11703	1.9
131.04945	8.8
131.08560	2.0
133.06490	1.4
135.04402	1.2
135.11714	9.6
137.05966	9.6
143.08578	1.5
145.06520	16.7
145.10135	1.7
147.08025	2.8
149.05981	20.7
149.13278	3.4
157.06480	1.7
159.08099	6.1
161.06017	4.3
163.07556	42.5
173.06091	1.3
173.09651	2.7
175.07483	3.5
177.09134	7.6
187.07565	2.2
189.09137	3.0
191.10703	1.5
201.12860	1.7
203.10693	1.8
204.83470	1.4
236.91167	1.3
246.79849	1.2
301.21689	2.7
323.23489	1.7
341.24786	17.5
359.25912	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	359.2582
Annotation	11beta-Hydroxy-6alpha,11-dimethylpregn-4-ene-3,20-dione
Peak:m/z	Relative Intensity
53.03946	1.7
55.01863	2.0
55.05515	5.5
57.03434	2.9
57.07079	3.0
65.03930	2.0
67.05508	18.7
69.03421	1.1
69.07069	4.3
70.90217	1.2
70.90584	1.1
71.05000	6.9
71.08636	16.0
77.03973	0.5
79.05496	8.6
81.03417	0.8
81.06588	1.0
81.07061	13.9
83.04986	7.4
83.08628	2.1
84.10047	0.5
85.06558	1.0
88.07656	0.8
91.05483	4.2
93.07047	9.4
95.04973	9.7
95.08609	9.1
97.06535	7.0
97.10181	0.8
99.08100	16.1
103.05495	1.6
105.07047	1.8
107.04966	2.5
107.08601	5.2
109.06523	1.4
109.10149	5.0
111.04427	0.8
111.08092	1.2
117.07036	2.2
119.08584	0.8
121.10152	3.2
123.04434	100.0
123.11745	1.1
124.04738	0.8
125.09659	2.4
127.11208	4.6
131.04951	3.4
131.08606	0.6
133.06543	0.8
133.10175	0.9
135.11720	2.2
137.05952	2.0
137.09608	0.9
137.13278	1.5
139.11163	1.2
145.06517	4.6
147.08064	1.2
149.06000	8.9
149.13258	1.0
151.11211	1.4
153.12756	5.3
159.08141	0.7
161.06046	1.0
161.13167	0.9
163.07542	14.7
165.12752	0.7
175.07497	0.8
177.09148	1.1
181.43057	0.6
185.92186	0.6
189.09181	0.9
215.10767	0.9
249.22168	1.2
263.93579	0.6
276.28391	0.6
291.19644	1.1
304.42081	0.6
341.24796	2.3
341.35825	0.7
359.25812	37.3
359.37167	6.4
360.26089	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2999
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
52.56654	2.7
53.03956	3.4
55.05515	63.5
55.28815	2.8
57.01777	3.3
57.03440	17.9
57.07080	52.0
67.05511	68.0
69.07074	92.9
69.71227	2.9
69.80225	15.9
70.06599	6.3
71.04979	3.6
71.08643	24.3
75.04482	5.3
79.05497	54.0
81.06591	5.7
81.07062	95.2
83.08624	60.1
85.06554	4.2
85.10181	11.5
88.07639	9.7
91.05479	4.9
93.07053	63.3
95.08611	73.1
96.69667	2.9
97.06533	31.0
97.10181	39.6
98.20783	4.2
103.03942	3.7
106.08604	3.5
107.08602	45.2
109.10164	42.4
111.08090	11.3
111.11738	14.8
121.10155	100.0
121.11045	4.8
123.04417	3.6
123.11710	17.4
125.09631	5.9
125.13328	5.4
129.05563	3.3
135.11696	65.1
137.13280	6.2
139.11166	6.3
140.29260	3.2
149.13307	24.7
151.14822	10.3
153.12796	4.2
158.32642	3.6
163.14813	10.7
165.16409	7.0
167.14336	3.9
177.16386	8.4
187.17258	3.2
191.17953	8.4
211.22862	3.2
247.24237	61.0
247.96014	3.0
265.25293	54.0
281.80899	3.0
283.26315	4.0
326.36716	3.6
339.28955	41.4
339.34717	3.5
357.24698	6.0
357.30200	8.5
357.35580	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1703
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01870	0.6
57.03419	0.7
58.48250	0.7
61.02921	1.6
67.05495	0.8
69.03451	3.2
69.03761	0.7
69.84192	2.4
70.06588	0.5
73.02926	0.8
79.05493	2.0
81.03443	0.7
81.07043	2.0
84.08115	0.6
85.02446	0.7
85.02917	9.5
86.09705	0.7
91.05481	3.3
93.07051	6.7
95.04972	0.8
95.08611	1.2
97.02896	2.2
99.04434	0.6
105.07046	7.7
107.08608	32.7
109.06550	1.0
109.10165	1.8
111.54135	0.5
119.04907	0.7
119.08600	5.1
121.06472	0.7
121.10155	6.2
123.08073	1.0
123.11697	1.0
127.03915	1.6
131.08577	1.3
133.06514	0.7
133.10146	19.2
137.05966	2.0
137.09662	1.1
138.06277	0.6
139.07538	1.5
139.42377	0.6
143.08546	0.8
145.04997	1.1
149.09608	3.3
151.07538	1.0
151.11212	7.5
161.09639	5.9
167.09343	0.9
167.10696	12.5
179.10689	15.7
197.11754	100.0
198.12108	1.8
201.89719	0.6
204.47067	0.5
225.10347	0.6
244.71634	0.5
311.10080	0.5
359.12085	0.9
359.16571	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2638
Annotation	Ligantrol
Peak:m/z	Relative Intensity
51.65425	3.6
53.03948	7.1
54.54839	3.1
55.01868	8.5
55.05517	29.0
57.03428	7.7
57.07075	7.9
59.05015	3.8
60.30410	3.5
65.22238	3.3
67.05511	35.4
69.03429	16.3
69.07070	50.6
70.68358	11.3
71.04992	12.0
73.64272	4.0
79.05499	27.0
81.03419	10.4
81.07059	100.0
83.04984	10.0
83.08627	14.0
85.02888	4.9
85.06551	31.4
91.05492	16.9
93.07034	53.4
95.04980	13.3
95.08607	65.5
97.02930	4.6
97.06554	22.5
97.10165	31.9
99.04488	4.6
99.08073	10.5
99.44997	3.3
105.07051	32.7
107.04963	8.9
107.08599	41.1
109.02856	4.0
109.06500	10.1
109.10174	32.1
111.08070	24.7
111.11719	16.9
115.11333	3.5
117.07017	10.4
119.08583	21.8
121.06542	4.2
121.10156	40.4
123.04436	23.1
123.08066	5.6
123.11704	32.0
125.09628	8.0
127.03905	4.3
129.06932	5.9
131.05084	5.7
131.08620	9.9
133.10139	12.8
135.08096	7.2
135.11687	26.5
137.05980	13.3
137.09636	8.9
137.13281	10.9
137.29338	3.7
139.11148	31.8
143.08534	5.6
145.10112	8.1
147.04448	6.4
147.11687	22.8
149.06015	8.4
149.09639	10.7
149.13286	6.0
151.11168	8.6
153.01843	11.3
153.12747	43.0
155.08571	4.4
157.12221	22.2
159.11739	15.1
161.05960	3.9
161.13295	6.2
163.07529	7.4
165.12790	23.5
171.11771	4.3
172.03937	5.0
177.05424	4.2
177.12770	6.3
179.14313	8.3
187.13289	6.1
187.14806	4.0
195.13857	7.4
203.12772	4.5
204.06540	4.6
205.08614	7.1
275.23819	5.7
277.21613	5.2
291.23282	7.0
303.23218	45.2
321.24231	84.9
333.14505	8.2
339.25446	7.0
357.13489	10.5
357.20337	4.1
357.24316	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	357.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01858	5.5
55.05513	25.8
57.03442	3.9
57.07064	4.9
67.05509	33.9
69.03434	16.2
69.07074	52.0
70.85609	3.0
71.05000	8.0
71.51569	3.2
71.51949	3.9
79.05489	27.2
81.03426	6.7
81.06589	5.5
81.07059	100.0
83.04977	7.5
83.08614	10.1
84.08168	3.8
85.02906	5.7
85.06549	26.6
91.05457	17.5
93.07038	47.0
95.04959	13.5
95.08604	68.7
97.02885	5.3
97.06531	19.9
97.10182	36.5
99.04482	3.7
99.08083	8.3
103.05442	3.8
105.07034	24.4
107.04970	7.0
107.08603	35.3
109.02876	8.0
109.06500	10.0
109.10168	28.2
111.04471	5.4
111.08064	23.1
111.11723	12.2
115.05448	3.7
117.06979	3.7
119.08604	21.1
121.06502	5.9
121.10138	37.6
123.04453	16.4
123.08118	3.5
123.11721	35.6
127.03923	3.8
131.08586	5.0
133.10146	17.7
135.08061	3.7
135.11688	19.9
137.05969	8.8
137.09595	6.7
137.13249	15.6
139.11163	24.7
142.07829	4.0
145.06468	8.4
145.10109	7.5
147.04451	5.8
147.11710	20.9
149.06010	4.7
149.09622	10.1
149.13239	13.2
151.11188	9.3
153.01865	15.2
153.12764	40.7
157.10153	4.6
157.12222	21.8
159.11688	12.9
161.06000	7.5
161.09532	4.2
161.13249	8.9
163.07536	8.8
163.11115	5.2
165.12749	17.4
169.12247	3.6
172.04056	3.3
173.05861	3.3
173.13272	3.7
175.14821	3.3
177.05386	3.3
177.12718	7.8
179.14349	4.3
187.07487	4.2
187.13280	4.7
195.13770	3.7
203.12735	5.5
204.06528	3.7
205.08612	11.8
265.08780	3.7
275.23645	5.4
275.58319	3.3
291.23135	5.1
303.23203	48.4
307.09866	3.5
321.24255	85.4
322.24698	4.7
325.10675	5.3
339.25430	7.3
357.13730	11.5
357.20084	3.7
357.24350	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	357.2423
Annotation	Estradiol valerate
Peak:m/z	Relative Intensity
53.03952	1.8
55.01875	1.1
55.05512	7.9
57.03437	1.3
57.07064	2.3
57.29122	0.7
57.44778	0.7
65.03915	0.8
67.05179	1.3
67.05508	18.6
69.03419	1.4
69.07066	8.1
70.17776	2.6
71.04981	3.6
71.08616	1.9
77.03909	0.7
79.05495	11.3
81.03410	1.7
81.07059	22.1
83.08215	0.7
83.08622	4.7
91.04974	1.2
91.05487	13.0
93.07043	15.4
95.04974	16.0
95.08611	19.0
97.06532	3.8
97.10170	3.2
102.05507	0.8
103.05450	1.7
105.07030	5.7
107.04940	0.8
107.08602	7.4
107.12376	0.7
109.06536	3.2
109.10165	4.9
111.08121	1.2
117.07031	2.6
119.08591	4.5
121.06488	1.3
121.10157	11.9
123.04436	100.0
123.08064	7.6
123.11708	2.6
124.04813	1.6
131.04918	2.4
131.08522	0.9
133.10139	2.7
135.11726	6.5
137.05974	3.2
137.09619	3.6
139.11182	0.9
145.06482	3.7
149.05997	6.7
149.13243	1.9
151.11139	0.9
152.63924	0.8
157.06483	1.2
161.05992	1.0
163.07553	15.2
163.14784	1.8
171.08060	1.1
175.07533	1.3
177.09108	2.4
189.09143	2.0
203.10674	2.6
217.12335	1.0
247.20355	0.9
247.24232	4.5
263.16440	1.6
265.25272	3.2
299.20032	6.4
308.78302	0.8
310.04758	0.8
339.23080	1.7
339.28848	2.3
357.24219	14.5
357.35510	5.1
358.25406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.9
55.05513	12.5
56.05848	2.5
57.03425	1.3
57.07075	1.8
61.71305	1.2
65.03925	1.5
67.05508	19.9
69.07071	9.4
70.06602	6.6
70.07398	1.7
70.11057	3.1
70.11464	2.6
77.03968	1.1
79.05502	11.1
81.07059	25.1
83.04966	1.1
83.08620	4.0
84.08974	1.4
88.07623	8.1
89.07961	2.0
91.05486	10.2
93.07054	11.2
95.04974	11.9
95.08607	18.7
97.06533	1.2
98.45131	1.0
102.09190	1.6
103.05436	1.7
105.07046	8.2
106.08663	5.0
107.04946	1.6
107.08601	5.0
109.06522	4.7
109.10157	6.2
115.05462	2.1
117.07027	4.5
119.08556	3.8
121.06482	2.8
121.10111	4.3
123.04436	100.0
123.08067	3.3
128.06175	1.6
129.07014	2.5
131.04932	3.2
131.08585	4.6
133.06488	2.2
133.10120	2.8
135.08064	2.5
135.11681	2.0
137.05975	11.6
137.09560	1.6
141.06978	2.5
143.04846	1.3
143.08603	2.7
145.06494	7.2
145.10081	1.6
147.08017	2.7
147.11719	2.2
149.06001	11.0
149.09613	1.3
151.07533	2.9
155.08559	1.8
157.06517	6.2
157.10130	1.4
159.08105	5.5
161.05969	5.7
163.07558	18.0
166.23573	1.1
167.08566	1.7
169.10138	1.3
171.08055	6.2
173.06018	6.5
173.09636	2.6
175.07600	7.1
177.09114	4.2
183.08052	2.3
185.09641	3.7
187.07544	5.2
189.09119	5.7
197.09612	3.3
199.07573	1.5
199.11198	1.6
201.09085	2.1
203.10686	3.8
209.09680	1.2
213.09074	2.1
215.10831	1.4
223.11290	1.4
227.10735	1.6
230.88310	1.1
241.12181	1.5
261.18665	1.3
295.20599	1.5
296.25684	1.2
297.18491	2.1
299.20023	6.4
313.21582	7.1
321.22217	2.5
329.24753	1.3
338.13260	1.3
339.23221	15.2
339.34641	4.1
357.24252	37.1
357.35562	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.0
55.01868	2.1
55.05513	12.5
57.07063	2.4
67.05508	19.9
69.03436	1.4
69.07076	8.4
70.06582	4.9
70.90630	2.3
70.90968	1.4
71.05002	1.9
74.95724	1.1
79.05479	9.7
81.03432	1.7
81.07059	30.0
83.08604	4.3
88.07631	9.1
89.07968	1.6
91.05482	8.9
93.07050	11.9
95.04983	12.9
95.08609	20.4
97.06529	2.7
97.10153	1.2
102.09186	2.0
103.05442	2.4
105.07037	9.5
106.08654	3.6
107.04954	1.7
107.08588	5.3
108.83351	1.1
109.06521	6.6
109.10159	6.0
115.05451	1.8
117.07003	6.5
119.08591	4.7
121.06501	3.9
121.10130	5.4
123.04435	100.0
123.08047	5.1
124.04768	1.4
128.06233	2.8
129.07018	2.3
131.04964	3.0
131.08612	2.8
133.06490	3.9
133.10153	2.4
135.04253	1.2
135.08011	1.6
135.11734	3.3
137.05969	13.1
141.07034	1.6
143.08626	1.6
145.06535	8.0
145.10144	2.0
147.08040	3.0
147.11710	3.4
149.05997	12.8
151.07550	2.3
155.08516	1.6
157.06511	8.4
159.08073	3.9
161.05977	6.8
161.13240	1.4
163.07541	17.6
171.08040	5.8
173.06052	6.2
173.09596	1.7
175.07538	8.1
177.09111	5.3
178.48573	1.2
183.08023	2.8
185.09592	1.8
187.07594	5.7
189.09108	5.0
191.10704	1.4
197.09663	3.4
199.11119	2.3
201.09050	2.4
203.10666	2.7
205.88020	1.2
209.09669	1.4
211.11205	1.5
226.39151	1.3
239.80112	1.2
245.50940	1.3
261.18536	1.2
295.20673	2.1
297.18732	1.4
299.20108	7.4
313.21716	7.9
315.23096	1.2
321.22095	1.4
329.24777	2.2
339.23257	14.4
339.34482	3.6
357.24237	38.5
357.35580	66.7
358.24777	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1912
Annotation	Suspensoside B
Peak:m/z	Relative Intensity
53.03944	7.4
55.01869	8.6
55.05512	23.9
57.03422	8.2
62.17895	2.6
64.17579	2.5
64.77572	2.9
65.67342	2.9
67.05509	35.7
69.03431	22.1
69.07072	21.4
70.06584	3.2
71.04999	5.4
71.51686	2.9
71.97196	2.7
72.08132	2.8
73.02875	3.6
74.49614	2.7
76.02217	3.5
79.05495	31.6
81.03428	20.8
81.07063	80.2
82.80430	2.9
83.04957	6.9
83.08617	10.3
83.10007	2.7
85.02897	15.3
85.06547	100.0
87.04446	3.3
91.05482	32.2
93.07050	57.5
95.04980	9.0
95.08610	44.9
97.02892	16.8
97.06540	48.2
97.10168	8.0
99.04420	5.3
99.08095	4.5
105.07039	39.6
107.04960	6.4
107.08599	37.7
109.02860	11.0
109.06511	12.8
109.10157	25.7
111.04461	4.3
111.08095	9.4
113.06046	3.8
115.03942	3.2
115.05431	5.2
116.01604	2.9
116.04958	3.9
117.07015	4.7
119.08585	34.7
121.02841	3.4
121.06496	8.0
121.10152	58.7
123.04416	19.7
123.08057	6.3
123.11697	8.9
125.09653	4.1
127.03914	9.6
129.06998	4.7
131.08582	9.2
133.02809	4.9
133.06418	4.1
133.10155	18.8
135.08043	8.5
135.11691	8.3
136.07559	6.6
137.05974	14.2
137.09596	8.7
139.07503	3.6
139.11218	4.0
144.04437	5.0
145.06496	4.5
145.10124	6.8
146.03613	9.2
146.05991	8.6
147.04436	7.7
147.11697	9.4
149.05977	8.5
149.13272	38.9
151.07541	4.8
151.11200	3.4
151.14764	3.2
153.01843	6.7
155.08594	4.0
159.11678	17.3
161.05965	13.1
161.13292	23.5
162.02237	5.3
163.07538	5.9
163.11140	4.2
165.05406	3.6
165.12688	6.4
167.14330	9.9
172.03922	25.2
175.07573	4.2
175.11127	4.6
177.09111	3.0
177.12715	32.5
179.03401	9.9
179.04802	5.0
179.14288	22.0
187.07483	3.1
189.12715	7.0
193.12242	3.8
195.06573	5.1
195.13808	25.3
204.06541	33.4
204.08257	4.0
205.08609	5.6
207.13799	5.7
213.07567	3.9
213.14842	3.2
237.14864	4.6
259.10785	3.1
303.15915	5.5
303.22903	3.6
307.05692	7.1
321.16895	6.6
339.08627	11.2
339.12552	6.1
339.18024	13.6
357.09750	5.4
357.13940	15.5
357.18930	20.6
357.24246	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	356.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05513	7.4
57.03443	3.7
57.07071	2.9
57.81975	1.5
60.93795	1.6
62.06094	100.0
67.05507	14.9
69.07068	6.2
71.04994	4.4
71.08643	7.2
71.51466	1.7
79.05501	9.4
81.07061	16.6
83.04979	3.0
85.02917	2.4
85.06548	1.6
85.10184	2.3
91.05477	7.8
93.07035	9.7
95.04984	4.2
95.08607	14.5
95.71059	1.5
99.08099	4.2
105.07031	5.3
107.08596	8.1
109.10155	4.6
112.12117	1.4
113.09681	2.0
117.07037	1.8
119.08591	6.2
119.32109	1.4
121.10160	5.4
129.07051	1.8
131.08551	2.1
133.10075	2.6
135.08067	1.8
135.11679	2.9
141.12753	7.6
145.10150	3.0
147.11708	4.2
149.09636	1.6
149.13191	1.9
150.75845	1.3
151.11189	2.9
157.10146	2.3
161.13226	2.0
165.12810	2.3
175.14780	1.5
196.13330	2.3
208.16937	2.1
210.14891	4.1
214.14531	2.2
226.18050	10.3
228.16008	4.8
240.19586	1.8
241.19614	2.3
246.17123	1.8
256.14032	1.5
259.20572	2.6
272.67056	1.4
277.21631	5.8
295.22647	4.1
320.25845	26.3
321.24234	2.0
338.26901	65.6
356.24011	1.9
356.27872	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	356.3524
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.03955	0.3
53.61963	0.3
55.05516	9.8
57.07087	1.8
58.06588	0.7
62.06083	0.5
67.05489	0.4
69.07075	7.4
69.17397	3.2
70.06598	12.7
71.08623	0.8
74.06081	0.4
83.08617	3.8
88.07636	16.1
91.05547	0.3
97.10188	1.7
102.09191	4.8
106.08672	8.4
118.08681	0.4
123.04456	0.6
294.31497	0.4
296.77219	0.3
312.32571	0.3
338.34183	6.6
356.35242	100.0
357.35507	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	355.2844
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03958	5.0
55.05514	45.1
57.03436	12.6
57.07071	14.3
63.57364	3.0
67.05511	85.1
69.03426	4.6
69.06731	3.9
69.07078	45.8
70.06597	3.4
71.08628	6.0
79.05121	3.2
79.05503	28.3
81.03416	4.6
81.07062	100.0
82.36499	3.0
83.04976	4.1
83.08619	34.8
85.06534	6.7
88.07622	5.7
91.05459	16.9
93.07053	30.4
93.17316	3.0
95.08616	82.6
97.06534	11.2
97.10171	22.4
105.07026	17.6
107.08586	27.0
108.82731	3.2
109.10158	41.6
111.11690	8.0
111.97594	2.8
119.08573	16.3
121.10168	36.6
123.04411	3.8
123.08085	4.7
123.11738	17.5
127.11178	3.6
130.58591	3.0
133.10115	20.2
135.11671	16.5
137.13264	10.8
141.12770	3.2
147.11682	15.9
149.13284	13.5
151.14841	4.7
161.13246	12.4
163.14830	13.2
165.16435	5.9
168.74939	3.2
175.14815	12.0
189.16399	5.7
245.22664	48.5
247.24147	3.6
263.23749	45.5
313.92978	3.0
337.27399	30.2
339.66788	3.2
355.22568	8.6
355.28543	10.1
355.33746	5.1
356.35236	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.65122	2.8
55.01880	3.8
55.05515	42.2
57.03432	11.5
57.07066	15.6
65.03941	3.4
66.70787	2.7
67.05508	84.5
67.16422	2.8
69.07075	45.0
70.20108	11.1
71.04978	3.3
71.08635	8.0
75.91663	3.1
77.58041	2.8
79.05509	30.6
81.03413	6.4
81.07060	100.0
83.08627	29.0
85.06555	3.8
91.05476	22.5
93.07053	39.4
95.08612	89.8
97.06522	9.5
97.10178	22.6
98.20889	3.5
99.08098	4.6
103.03934	3.1
105.07055	19.2
107.08603	26.1
109.10172	46.4
111.08058	8.4
111.11720	9.0
119.08593	20.2
121.10136	31.0
123.11694	20.9
125.09579	4.1
125.13268	3.9
128.46719	2.6
129.05486	2.8
131.08604	3.1
133.10126	17.7
135.11696	22.9
137.13269	9.0
145.10089	2.9
147.11678	15.0
149.13278	11.9
151.11201	5.2
151.14845	7.3
155.14420	3.6
161.13290	16.0
163.14851	19.3
165.16423	4.2
167.14357	4.6
175.14940	14.2
177.16383	4.2
179.17877	4.3
189.16405	7.3
193.16028	3.3
245.22653	53.9
263.23712	52.3
265.25455	2.8
337.27426	25.2
349.38782	2.6
355.17780	3.1
355.23926	13.0
355.28464	8.7
355.34079	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	355.1728
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.66405	0.6
50.94252	0.5
55.05512	3.5
67.05490	0.9
69.03408	1.3
69.07069	1.2
70.06596	0.6
71.05000	0.8
71.51518	0.6
73.04730	1.2
79.05497	1.6
81.03428	1.0
81.07053	2.5
83.04967	1.5
83.08629	0.9
84.08154	1.3
85.02910	1.2
85.26556	0.5
91.05854	0.8
93.07030	1.7
95.04951	0.8
95.08057	0.5
95.08610	1.3
97.06511	0.8
100.07632	1.3
100.11269	2.8
105.07027	1.2
107.04900	1.0
107.08615	1.2
109.06514	0.6
109.10151	1.3
110.05958	0.5
111.04452	2.4
112.07635	0.9
116.03332	0.5
117.06986	0.6
119.08561	0.9
121.06457	0.8
121.10121	0.7
123.04411	0.8
127.03897	0.9
128.07065	1.2
133.10136	1.2
135.08017	0.7
137.06001	0.8
137.09579	0.6
139.11211	0.8
140.07111	0.7
145.10136	1.0
149.09572	0.7
163.07629	0.6
167.06978	0.7
175.07500	1.0
182.15439	5.8
185.80359	0.6
193.04968	0.6
193.08618	0.6
201.03802	0.7
203.05280	1.0
210.14912	6.8
228.15973	1.6
301.21417	0.7
337.21231	2.1
355.17294	100.0
356.17612	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	355.2844
Annotation	CHEBI:75563
Peak:m/z	Relative Intensity
55.05510	39.4
57.03433	11.2
57.07072	15.4
62.86515	4.0
67.05507	91.7
69.07072	46.8
71.08619	9.0
79.05495	24.7
81.03426	8.2
81.07062	100.0
83.08635	32.9
86.98513	3.4
91.05483	15.6
93.07063	23.0
95.04983	3.5
95.08613	75.3
97.06519	11.6
97.10172	20.0
105.07033	16.9
107.08583	26.4
109.10153	44.5
111.11695	5.6
119.08599	19.2
121.10152	28.1
123.11718	22.1
129.05499	9.4
133.10118	22.2
135.11699	18.9
137.13261	13.0
147.11688	14.0
149.13263	12.9
151.14841	6.2
161.13286	14.0
163.14845	10.7
165.16313	5.6
172.98601	3.6
175.14882	14.4
189.16405	5.3
232.07259	3.6
245.22670	47.5
263.23749	45.3
337.27325	26.6
340.35330	3.6
346.44412	4.4
355.17673	3.4
355.24072	7.4
355.28290	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35109	0.6
55.05516	1.1
67.05492	1.0
69.03436	0.8
71.04996	0.7
71.51628	0.9
73.04776	1.4
79.05492	0.9
81.03399	0.6
81.07046	2.4
84.08135	0.8
91.05822	0.8
93.07040	1.3
95.04949	1.2
95.08620	1.4
97.06547	0.7
105.07027	1.8
107.04951	0.7
107.08591	1.4
109.10163	1.1
111.08121	0.8
119.08585	0.9
121.10134	0.9
131.08571	0.6
135.07976	0.8
137.05969	1.8
137.09612	0.8
139.11113	0.7
144.12900	0.5
147.11812	0.6
151.07600	0.8
187.07567	0.9
203.05318	1.1
210.14859	0.9
268.98099	0.8
285.00839	0.7
299.12604	0.6
329.29343	0.6
355.07745	1.9
355.17291	100.0
356.17511	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76449	0.3
59.38360	0.3
67.05537	0.4
69.03462	0.6
71.51112	0.8
73.04761	1.9
79.05470	0.6
81.72794	0.4
83.94418	0.4
84.08141	0.4
85.02895	0.9
87.09119	0.5
89.03912	1.7
91.05834	2.3
107.04917	0.6
109.02898	0.5
117.03403	2.9
119.04948	0.6
121.02849	0.5
121.06541	0.4
135.04431	5.3
137.06009	0.4
145.02867	3.4
147.04428	0.8
149.05981	0.7
151.03958	0.4
153.01759	0.5
163.03915	27.1
164.04297	0.4
165.05455	0.6
175.06033	0.4
175.07289	2.4
177.05450	0.6
180.07820	1.1
193.04893	2.2
193.06590	0.4
193.08427	1.6
194.97311	0.6
203.05275	4.2
210.96942	0.5
252.97971	0.5
268.97818	0.6
270.48578	0.4
285.01059	1.5
295.17596	0.5
314.29816	0.4
355.01138	1.5
355.13651	100.0
356.13931	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	355.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	5.2
58.96799	1.8
65.14818	1.7
69.03411	4.5
69.39191	8.1
69.39602	5.6
70.06606	2.8
73.04755	18.6
85.02903	5.2
89.03968	2.2
91.05817	20.3
97.02921	3.1
98.21505	4.0
98.97607	9.2
110.97651	2.3
117.03398	3.2
121.02937	2.5
128.98633	2.7
135.04448	6.4
136.07632	5.8
145.02890	4.7
153.01871	6.6
163.03925	37.1
164.07124	7.5
178.32164	2.3
182.08183	7.1
185.04292	3.3
192.03967	13.4
193.04752	9.6
193.06281	3.0
219.01848	3.2
229.00171	3.2
237.02950	4.4
268.97955	7.5
285.00885	15.1
289.38339	1.9
302.06198	1.9
303.02020	3.3
324.08255	2.5
355.10153	100.0
355.13629	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	355.1025
Annotation	Chlorogenic Acid
Peak:m/z	Relative Intensity
50.83813	0.6
59.56723	0.6
69.26862	0.7
70.95677	1.2
70.96029	0.8
73.04762	0.7
79.05501	1.4
89.03919	8.5
107.04951	2.1
117.03384	10.0
135.04420	19.9
142.42534	0.7
145.01775	0.9
145.02855	12.5
158.27048	0.7
160.97603	0.6
163.03912	100.0
164.04260	1.3
174.05698	0.8
175.05841	1.0
192.06619	0.9
194.28015	0.7
203.50113	0.7
247.68608	0.7
335.08554	0.6
339.89569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3368
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
52.08696	0.7
55.05514	8.7
56.05042	0.9
57.05817	1.4
57.06830	0.9
57.07079	10.8
57.75870	0.6
58.02953	1.2
58.06604	15.7
60.04518	2.8
67.05181	0.7
67.05510	7.4
69.07072	18.6
70.02943	2.6
70.06596	6.4
70.63825	0.7
71.04977	1.5
71.08636	7.7
72.04508	2.4
72.08160	0.9
73.04752	1.0
74.06071	2.0
75.57209	0.7
79.05487	2.0
81.07065	12.8
81.08710	0.7
82.06588	2.1
83.04963	0.9
83.08624	13.4
84.08138	5.9
85.06547	0.9
85.10184	3.1
86.06093	4.1
87.06844	1.5
93.07056	2.1
95.08614	14.4
97.06559	1.4
97.10168	7.3
98.06050	1.0
98.09705	1.3
105.07057	0.8
107.08595	1.7
108.08112	1.2
109.06607	0.8
109.10155	7.3
111.08070	0.8
111.11716	3.4
112.07607	0.8
112.11230	0.9
121.10107	0.8
123.08067	1.1
123.11707	3.7
125.13283	0.8
126.09168	1.2
137.13289	1.9
147.11678	0.7
149.13228	0.8
229.71434	0.8
268.29886	1.6
268.73407	0.7
282.31738	0.7
294.31573	3.3
301.29071	0.6
306.31622	3.2
307.30014	2.3
308.33151	3.3
310.30896	1.1
318.31506	1.1
326.34183	5.5
336.32654	15.0
337.30975	1.9
354.33676	100.0
355.33945	2.3
368.69696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.264
Annotation	Methyl tumonoate A
Peak:m/z	Relative Intensity
51.50341	2.1
54.31372	1.9
55.05511	5.0
55.80943	2.0
57.03444	5.3
62.06093	100.0
67.05507	15.5
67.60896	2.5
69.07062	10.5
71.05000	6.0
73.64022	1.9
76.01772	2.0
79.05510	12.2
81.03413	4.2
81.07071	17.5
83.05006	2.9
83.08621	3.9
85.06535	3.1
87.64436	2.1
87.78144	1.9
91.05480	13.0
93.07047	12.5
95.04996	2.9
95.08602	11.0
97.06561	2.9
98.06068	6.4
98.20696	4.3
99.08106	3.4
105.07026	14.2
107.08593	8.6
109.06498	5.7
109.10154	5.2
117.07036	6.0
117.50376	2.1
119.08591	6.7
121.06539	3.4
121.10146	6.0
123.08055	11.1
129.06958	2.1
131.08578	6.3
133.10159	5.7
135.11800	2.3
137.09596	2.7
143.08614	2.4
145.10118	7.6
147.11661	4.9
151.44997	2.4
158.83505	2.3
161.09657	2.6
171.11668	3.0
173.13199	2.2
208.16997	3.3
229.07729	2.9
250.18044	11.4
252.19334	3.0
266.21219	3.1
268.19135	7.8
275.20135	5.5
286.20264	5.6
318.24307	21.9
336.25354	38.5
354.26425	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75651	4.6
53.84705	5.0
55.01849	4.2
55.04090	4.6
56.02087	4.3
56.63736	3.9
56.96574	15.1
59.27833	4.3
60.51790	4.1
61.02919	17.5
62.06093	14.5
63.25806	4.2
69.03445	13.0
70.06605	9.6
71.08006	4.5
71.50697	7.5
73.02909	5.1
73.04755	5.9
79.05490	43.4
85.02912	23.9
86.06044	4.9
91.04041	4.3
91.05426	6.5
93.07065	28.6
93.71268	5.3
95.04987	4.6
97.02898	13.8
97.06534	26.6
98.97581	35.0
99.26424	5.0
110.97589	10.9
112.80971	4.7
116.98617	12.1
119.04944	7.5
121.06538	11.8
123.04332	4.6
127.03938	10.2
128.98593	11.8
135.04463	7.0
139.03905	7.0
139.07549	100.0
145.04953	5.8
147.03392	5.1
147.04366	27.2
148.04776	16.1
153.01836	19.1
157.08624	52.2
163.03911	17.9
174.05511	12.9
175.06020	10.2
175.09631	25.6
177.00784	5.6
192.06464	26.5
219.01814	17.9
226.82281	4.4
237.02863	13.3
255.15742	6.1
280.66028	4.4
285.00967	9.3
291.07391	5.9
296.19855	5.0
309.08832	9.4
309.18497	5.9
340.53827	4.5
350.10168	4.4
354.06857	10.0
355.10403	9.6
359.00177	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	354.1186
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03945	0.3
54.26416	0.3
57.03441	0.7
61.02914	0.6
67.05499	0.7
69.03424	1.7
69.07079	1.5
69.88536	1.0
70.06576	0.4
71.04996	0.6
71.40602	0.2
71.45933	0.2
73.02919	0.7
79.20135	0.2
81.03419	0.8
82.83862	0.3
85.02916	3.3
86.09708	0.2
87.04459	0.7
91.05484	2.3
94.06576	3.5
95.04984	0.5
97.02897	1.3
97.06541	0.5
99.04473	0.3
103.32175	0.3
105.03357	0.4
109.02864	0.6
115.07575	6.4
117.05758	0.7
118.06556	5.8
122.06039	4.2
124.17252	0.3
127.03931	0.8
131.03650	0.3
134.06030	0.7
136.07576	0.5
137.05771	0.2
139.07494	0.3
145.05011	0.5
146.06015	15.4
147.06793	0.7
150.05522	1.5
157.08617	1.4
162.05467	1.3
164.07079	6.6
174.05518	100.0
175.05974	1.5
175.09662	2.3
176.07085	0.9
192.06564	50.4
193.06882	0.8
203.06931	0.3
234.07574	0.4
336.10904	0.9
354.11856	40.3
355.12277	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.05511	16.4
57.03426	5.7
57.07051	4.9
58.11646	1.9
65.03937	3.5
67.05508	84.0
69.07078	14.2
69.25569	1.9
71.08617	1.9
77.03904	1.7
79.05496	46.4
81.07061	88.9
83.08611	6.4
91.05479	23.6
93.07052	59.0
95.08613	67.2
95.09143	1.0
95.09245	1.8
97.06516	2.9
97.10162	4.0
99.08090	1.9
105.07030	18.5
107.08600	43.5
109.09478	3.1
109.10166	37.6
117.07030	9.7
119.08593	13.1
121.09349	2.2
121.10157	33.3
123.11721	18.4
125.36130	1.7
131.08565	22.6
133.10156	13.3
135.11696	26.6
137.09608	2.0
137.13245	8.2
139.11183	1.7
145.10129	16.2
147.10657	1.7
147.11682	11.7
149.13263	22.2
151.14793	3.5
159.11726	13.8
161.13284	11.9
163.14861	13.4
173.13275	15.7
175.14777	2.6
177.16435	2.6
183.24165	1.9
187.14821	9.3
201.16338	4.3
205.15923	2.6
228.88820	1.8
233.22729	2.8
243.21072	22.2
261.22144	100.0
262.22452	2.4
279.23334	4.4
335.25861	8.8
353.26947	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05516	12.2
57.03431	5.9
57.07072	2.9
65.03940	3.3
67.05511	85.4
69.07065	12.9
71.04996	2.7
71.08652	2.5
79.05500	39.0
79.05959	2.2
81.07061	100.0
83.08624	7.0
85.06447	1.8
91.05485	21.0
93.07050	52.9
94.89018	1.9
95.08613	69.1
97.10188	4.0
98.20754	6.1
105.07040	11.7
107.08593	28.7
107.44137	2.3
109.10160	35.5
111.55668	2.2
117.07008	6.9
119.08583	12.0
121.10145	30.8
123.11731	15.3
131.08569	20.0
133.10118	13.7
135.11693	21.8
137.13263	6.1
143.98485	2.0
145.10135	10.8
147.11703	8.5
149.13286	14.7
159.11729	11.5
161.13268	8.2
163.14874	6.7
173.13318	14.0
175.14862	4.0
187.14787	7.3
191.14462	2.0
219.12563	2.0
233.22658	3.4
243.21123	19.9
261.22156	70.0
279.23080	2.3
327.48975	2.4
335.25861	7.7
353.26804	18.9
359.79697	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03958	3.9
55.05515	13.0
57.03437	6.3
57.07078	4.2
65.33707	2.2
67.05510	93.8
69.07072	13.1
71.04988	4.1
76.79674	2.4
79.05498	40.8
81.07064	100.0
83.08611	5.4
91.05497	16.1
93.07047	51.6
95.08612	69.4
95.93934	2.6
97.06502	4.3
97.10182	3.1
98.21548	5.0
105.07031	12.7
107.08593	36.0
107.16497	2.4
109.10170	33.5
111.08073	3.5
117.07006	8.5
119.08562	10.9
121.10170	26.0
123.08101	2.4
123.11716	18.7
131.08589	18.4
133.10132	10.3
135.11678	22.1
137.13281	7.5
145.10135	12.7
147.11685	9.0
149.13275	20.7
150.97238	2.5
159.11726	10.9
161.13255	7.0
163.14864	13.0
173.13315	12.9
175.14680	3.5
186.97534	2.6
187.14816	6.7
205.15973	2.5
233.22513	4.3
243.21075	20.0
261.22162	87.1
261.24890	4.9
270.85999	2.5
279.23276	3.6
335.25708	10.3
353.26831	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.7
54.38159	2.6
55.01875	2.5
55.05508	12.9
57.03437	4.3
57.07056	4.2
65.03935	3.5
67.05507	86.6
69.07075	12.7
69.21279	19.0
71.04990	2.9
79.05495	46.7
81.06597	4.7
81.07063	91.7
83.08602	5.6
90.43044	2.5
91.05482	19.5
93.06494	3.1
93.07051	58.6
95.08611	63.0
97.06532	3.9
97.10181	5.6
104.75525	2.0
105.07037	18.4
107.08598	41.7
109.10168	40.8
109.10842	2.1
117.07035	7.7
119.08597	17.1
121.10154	33.7
123.11726	19.8
131.08569	21.5
133.10165	14.8
135.11696	28.2
137.13271	7.2
145.10135	18.0
147.11659	11.5
149.13266	25.8
159.11682	17.0
161.13258	9.4
163.14853	16.1
167.61996	2.0
173.13242	18.6
175.14873	3.2
177.16367	3.7
187.14870	12.7
201.16338	3.1
216.36882	2.2
233.22678	2.4
243.21155	17.5
252.12692	2.3
261.22147	100.0
279.23114	3.0
335.25797	6.0
340.48489	2.2
353.26895	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	2.8
55.05516	17.2
57.03434	5.3
57.07067	4.0
58.87530	1.3
65.03926	3.4
67.05509	96.6
69.07072	11.7
70.22456	1.3
71.05009	1.7
79.05499	40.7
81.07062	100.0
83.08617	6.8
85.06531	2.7
91.05491	24.9
93.07050	55.3
93.07640	2.8
95.04977	1.9
95.08617	67.7
97.06541	3.7
97.10182	2.2
105.07050	15.6
107.08597	33.6
109.10166	33.5
109.10923	1.7
117.07053	7.7
119.08592	14.6
121.10147	22.8
123.11734	16.8
131.08575	18.4
133.10144	8.7
135.11707	20.2
137.13277	5.4
144.08066	2.2
145.10120	9.8
147.11667	8.2
149.13280	16.9
159.11716	12.2
161.13298	6.7
163.14749	8.1
173.13255	10.5
175.14841	2.7
177.16473	2.3
187.14807	5.8
191.14296	2.2
243.21115	14.8
258.31351	1.7
261.22165	51.7
262.22620	1.7
264.23349	1.6
279.23163	3.2
335.25800	5.6
353.26913	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	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	4.3
55.01861	5.3
55.05515	34.6
56.04053	2.8
57.03430	17.7
57.07061	6.8
62.43596	2.3
63.19098	2.8
65.03937	4.7
67.05508	81.9
67.91743	2.5
68.49022	2.8
69.03412	3.3
69.07072	28.5
71.08633	52.2
71.51406	3.4
76.59234	2.7
79.05493	45.9
81.06590	5.9
81.07058	100.0
82.07419	3.3
83.04987	8.0
83.08618	15.7
85.06544	3.4
91.05486	27.0
93.07045	47.4
95.04971	5.0
95.08603	65.9
96.05516	2.7
97.06509	9.1
97.10177	16.0
98.08080	2.3
99.08101	45.4
103.30332	2.3
105.07034	20.9
107.08593	31.3
109.06492	4.2
109.10164	38.0
111.08061	4.7
112.43073	3.0
113.09622	3.0
116.89687	3.0
117.07043	6.4
119.08576	13.7
121.10156	15.3
123.11681	13.4
125.09642	10.6
131.08565	12.0
133.10121	9.3
135.08086	2.9
135.11693	22.4
137.09543	2.6
137.13252	5.2
144.08101	9.5
145.10106	12.3
147.11691	30.5
149.09605	3.4
149.13246	11.0
153.12755	7.7
155.08495	2.5
157.10211	3.3
159.11714	5.9
161.13264	8.9
163.14832	14.1
165.12753	8.1
165.16367	3.0
173.11865	3.9
173.13292	10.5
175.14900	3.3
177.12756	3.7
178.41064	2.6
181.12155	2.9
181.15848	3.4
187.14864	5.5
189.11281	5.7
233.22557	4.8
243.21031	17.1
261.22159	38.6
279.23160	30.6
295.64981	2.6
300.13702	3.1
353.26974	43.3
354.24136	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	353.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
55.05508	1.9
58.91944	0.6
67.05500	2.1
68.54334	0.6
69.03426	1.3
69.07061	1.2
69.67628	1.1
69.68044	2.3
70.06599	1.2
71.04984	1.4
74.66705	0.6
79.05478	1.9
81.03400	1.4
81.07065	4.2
83.05000	1.3
84.04503	0.7
84.08150	1.6
85.06528	0.8
91.05486	2.6
93.07038	3.4
95.04984	1.8
95.08611	2.2
97.02888	0.7
97.06554	1.1
99.04456	1.8
105.07033	5.0
106.06577	1.3
107.04974	0.8
107.08597	3.1
109.06517	1.9
109.10156	2.2
111.08089	1.2
112.65323	0.7
117.07014	0.9
119.08601	2.1
121.02884	1.8
121.06545	1.3
121.10153	2.0
122.06024	0.7
123.04383	0.8
123.08054	1.3
131.04903	0.7
131.08598	1.4
132.05344	0.8
133.10139	2.8
135.08063	2.0
135.11722	0.7
136.07594	1.1
137.09575	1.6
137.13237	0.7
145.10103	1.9
147.08028	0.7
147.11565	0.9
149.09616	1.1
161.09595	3.9
163.11221	1.2
165.09166	0.7
179.10677	1.8
189.09189	0.7
191.07050	2.1
201.03799	1.6
235.67157	0.6
279.06320	0.9
297.07574	0.9
325.07040	3.4
335.22333	1.0
353.06824	6.4
353.15738	100.0
354.16083	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	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01866	6.9
55.05504	9.9
57.03425	10.4
61.02905	4.7
64.60013	3.1
67.05509	19.0
68.97099	2.8
69.03431	44.9
69.07079	15.7
71.04985	10.6
71.23301	4.0
71.23638	2.9
73.02927	6.8
79.05492	16.9
81.03423	15.6
81.07063	24.1
83.04989	25.9
83.08591	5.7
84.08180	4.1
85.02912	34.9
85.06564	5.5
87.04447	3.8
91.05463	14.3
93.07059	21.3
94.34010	2.9
95.04982	19.6
95.08615	23.0
97.02893	16.8
97.06519	7.9
99.04451	8.9
103.03857	3.6
103.05475	3.4
105.07039	30.7
107.04939	14.6
107.08603	41.0
109.02873	5.3
109.06525	16.1
109.10139	29.9
111.04449	5.7
111.08037	7.7
117.06998	5.6
119.04917	4.0
119.08592	19.8
121.06507	10.7
121.10139	36.0
122.07242	4.0
123.04473	7.4
123.08061	14.3
123.11667	6.9
127.03924	18.1
131.08583	14.7
133.06502	3.6
133.10126	36.2
135.08046	17.6
135.11678	15.4
136.07555	3.1
137.06131	3.9
137.09622	21.1
139.11214	5.0
145.04933	9.9
145.10106	9.4
147.08040	4.6
147.11626	12.6
149.05962	5.3
149.09589	22.7
149.13293	32.8
150.05453	4.1
151.11186	22.0
158.10823	5.3
159.08054	6.2
159.11693	3.8
161.05991	3.5
161.09581	16.1
161.13312	4.1
163.11154	7.1
163.14799	8.8
167.07077	26.4
171.08093	5.6
173.09578	7.0
173.13271	10.9
175.07631	4.0
175.11122	5.3
175.14822	5.6
177.12727	4.4
180.06523	4.4
187.11223	4.6
189.09021	3.7
189.12741	9.2
191.07083	16.9
191.10645	7.1
191.14310	100.0
192.04060	5.4
193.15945	10.2
199.07576	5.7
201.12921	4.5
203.14328	4.1
209.13437	3.0
209.15302	16.2
210.05602	3.1
215.08786	4.8
215.10805	5.2
218.07166	5.9
231.08051	3.2
231.13914	3.3
233.09663	3.7
233.15404	5.8
246.06813	3.8
257.15469	3.8
261.09326	3.7
275.16412	11.4
282.05878	3.4
286.44452	3.2
289.08701	9.8
293.12131	7.3
299.16251	4.5
317.17419	4.9
321.11221	11.4
335.13416	7.2
335.18524	18.3
353.15082	19.6
353.19690	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01868	1.4
56.96567	2.9
57.03432	2.0
57.07080	0.6
57.91839	0.4
58.06596	1.9
59.05006	0.6
61.02929	2.9
67.05511	2.0
69.03435	7.2
69.07078	3.5
69.67815	2.7
70.06596	17.5
71.04984	1.4
72.08137	0.4
73.02925	1.6
79.24020	0.3
81.03422	4.0
84.08157	3.5
84.96019	0.6
85.02910	19.1
86.06081	0.6
86.09712	5.2
87.04457	1.2
87.10080	0.4
88.07643	1.1
91.03970	1.2
92.13440	0.4
93.85603	0.4
95.08592	0.8
97.00997	0.4
97.02901	7.1
98.21485	0.8
98.97585	4.0
99.04459	2.0
99.06845	0.6
99.97873	0.4
101.04124	0.4
109.02869	2.0
109.10143	2.5
110.97606	1.2
116.07107	5.3
116.98640	1.5
126.12800	19.5
127.03929	3.9
128.98628	0.7
134.99722	0.5
137.05884	0.4
144.13844	59.3
145.04973	2.8
145.14203	1.0
147.04437	1.3
153.01846	4.5
154.12260	0.9
158.08121	0.5
158.99684	0.9
159.08507	0.6
162.05490	0.5
172.13329	8.9
177.00648	0.5
190.04913	0.8
190.14394	100.0
191.14664	1.0
201.00813	0.6
201.09998	0.5
214.14371	0.9
219.01854	1.5
220.11935	0.5
226.98697	0.6
232.15533	0.6
237.02870	1.3
244.99670	0.6
263.00717	0.5
272.06360	0.5
289.11148	0.9
291.03745	0.4
300.62094	0.5
310.08969	0.8
314.93460	0.5
316.17487	1.7
332.81799	0.4
334.18704	0.9
339.75165	0.4
352.10077	0.9
352.19751	5.5
352.26880	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	352.2847
Annotation	Melophlin R
Peak:m/z	Relative Intensity
55.05522	2.1
56.05039	2.4
58.06586	0.3
59.58195	0.3
67.05507	2.6
69.07069	3.1
71.04992	0.4
71.50844	0.5
72.08144	0.4
74.06085	5.8
79.05499	2.5
81.03404	0.4
81.07062	4.3
82.06560	0.6
82.29068	0.3
83.08604	0.8
84.08118	0.5
85.06533	0.5
91.05492	1.9
93.07047	3.8
94.06554	0.5
95.08615	4.0
97.10178	0.5
99.08109	0.6
100.07638	0.5
100.23873	0.4
105.07028	2.7
106.07297	0.3
107.05003	0.3
107.08595	5.1
109.06506	0.4
109.10150	1.6
119.08598	3.9
121.10172	1.9
123.11710	0.5
124.07656	0.5
128.10722	1.0
131.08559	0.6
133.10164	2.3
135.08072	0.5
135.11691	1.3
138.09119	0.4
142.12262	2.3
145.10127	0.8
147.11694	1.7
149.13252	1.3
150.87329	0.4
152.10690	1.0
154.12268	0.4
161.13248	3.4
162.09944	0.3
162.12770	1.2
163.14844	1.1
164.14397	0.4
166.12177	0.5
174.74585	0.3
175.14813	1.1
177.03833	0.3
178.12204	0.4
180.13789	0.5
189.16402	0.5
205.19551	0.8
206.15396	12.1
208.16913	3.5
210.36725	0.3
217.19545	1.2
222.18524	5.7
224.20134	1.0
250.17946	0.6
275.20178	0.5
282.20566	1.1
320.25827	0.9
334.27490	0.6
352.28458	100.0
353.28836	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96852	0.5
52.57162	0.5
53.03962	1.3
55.01868	1.5
55.05510	1.4
56.96572	5.2
57.03443	3.2
58.06604	14.9
59.05014	0.6
61.02927	3.5
64.50561	0.5
67.05505	2.0
69.03084	0.9
69.03435	10.8
69.07076	10.0
69.68829	2.8
70.06591	3.4
71.01395	0.6
71.04998	1.9
71.47344	0.5
72.08163	1.1
73.02919	3.0
74.43755	0.5
76.07594	0.5
79.01851	0.6
79.05449	0.6
81.03418	5.7
81.07060	0.7
82.38858	0.5
83.04986	0.6
84.08139	2.9
84.96035	0.9
85.02911	25.2
85.06552	1.0
85.44202	0.4
86.09706	7.0
87.04472	2.5
91.03967	1.7
91.05460	0.6
95.08630	0.8
97.02893	11.7
98.09700	0.6
98.20767	0.9
98.97591	12.4
99.04475	2.0
99.06850	0.9
99.97914	0.8
101.00915	0.5
101.02396	0.7
109.02872	3.4
109.10181	2.4
110.97562	3.6
112.07623	1.3
112.99123	0.7
115.03915	0.6
116.07059	0.4
116.98621	3.4
119.01920	1.5
120.02076	0.6
126.12807	20.0
127.03934	6.5
128.98643	2.3
130.08601	0.6
131.00185	1.0
131.01892	0.8
136.06253	0.8
137.09656	1.3
143.00238	1.1
143.01884	1.1
143.03400	0.8
144.13847	71.3
144.98126	0.6
145.01666	0.6
145.04979	3.3
146.03658	0.7
146.99693	1.0
147.04388	1.2
153.01848	8.9
153.03003	0.7
154.02121	0.7
154.12325	1.4
155.04710	0.8
158.99640	4.2
160.00081	0.8
161.01332	0.5
161.02939	1.7
162.03114	0.5
162.05447	0.6
163.02751	0.6
170.99690	1.0
172.13351	7.9
173.02986	0.7
177.00615	2.5
182.03247	0.7
189.00748	1.0
189.04236	0.6
190.02632	1.1
190.04816	1.2
190.14398	100.0
191.03973	1.1
191.14774	1.1
200.04483	0.9
201.00684	1.5
203.04076	0.8
204.03821	0.5
214.14395	0.8
219.01741	3.7
220.02063	0.9
220.11908	3.4
221.04985	1.0
232.03546	3.8
232.15306	0.6
232.99684	0.8
233.03496	0.6
237.02745	3.0
238.03087	0.8
242.05475	0.9
243.03693	0.5
244.03777	0.8
244.99611	1.2
261.02917	0.5
263.00763	1.3
263.06088	1.3
271.07681	0.5
272.06555	4.2
276.06552	0.6
279.04108	0.9
291.07590	0.5
292.07867	1.9
309.08548	1.2
310.08963	3.9
316.17627	1.8
334.18512	1.7
352.10358	2.4
352.15906	1.1
352.19681	8.3
353.08167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.2
54.71630	3.7
55.05515	35.2
57.03439	6.2
57.07091	8.0
65.03957	4.0
65.50052	3.6
67.05508	51.7
69.03433	9.3
69.07075	61.6
69.22079	42.2
71.04998	9.3
71.08647	8.2
75.94778	4.3
77.21200	4.0
79.05499	41.5
81.07063	76.1
81.07521	4.5
83.04985	5.9
83.08611	22.7
90.54890	4.3
91.05489	43.6
93.07052	76.9
95.04984	24.0
95.08607	67.5
95.09163	5.7
97.06546	19.7
97.10183	6.5
105.07047	82.1
107.08606	63.7
109.06554	16.2
109.10163	47.6
111.08135	4.3
115.05540	5.0
117.07050	17.3
119.08586	100.0
119.09364	7.2
121.06564	9.8
121.10142	52.5
123.08157	5.9
123.11743	13.8
128.06270	7.6
129.07037	15.5
130.07779	9.4
131.08572	48.2
133.10167	52.6
135.08095	12.4
135.11755	17.2
137.06021	4.1
137.09645	5.8
137.13289	7.2
141.07059	3.4
142.07761	19.0
143.08568	28.7
144.09300	6.3
145.10124	47.4
146.07333	7.5
147.08075	6.2
147.11711	26.9
149.09671	14.0
149.13306	6.2
151.11234	5.9
155.08656	8.7
156.09395	11.2
157.10100	42.0
159.08121	7.6
159.11682	25.9
161.09647	44.1
161.13339	17.4
163.11197	4.1
169.10165	11.2
170.10797	5.5
171.11688	31.2
173.13330	16.3
175.11246	8.0
175.14908	10.8
177.16409	21.3
179.08537	7.2
179.14319	4.3
181.10228	7.8
183.11768	10.7
185.13322	18.4
187.14908	12.7
189.16383	7.9
194.11160	4.9
195.11765	7.1
196.12494	4.7
197.13326	12.4
199.14948	11.7
201.16507	8.6
207.11679	6.7
209.13322	12.6
211.14836	7.5
211.38654	4.1
213.12793	4.1
223.15022	7.3
241.19386	6.2
243.21132	5.1
255.21187	5.2
259.20468	5.0
263.18277	4.2
277.21774	4.8
284.96555	4.0
333.25885	6.2
351.26755	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	352.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.9
55.01866	8.1
55.05492	4.1
57.03427	6.4
57.38601	3.1
58.38990	2.7
61.02922	5.7
67.05502	4.1
68.99793	3.7
69.03091	3.4
69.03432	37.8
69.07076	63.5
70.06591	3.4
70.23146	14.5
71.04994	6.9
73.02898	8.9
79.05494	6.5
81.03425	27.7
81.07063	10.7
83.04938	3.5
84.08143	4.5
85.02911	100.0
85.06557	3.5
85.72800	2.8
86.09705	4.0
87.00837	52.5
91.05485	5.9
91.57703	2.8
93.07039	8.1
97.02894	62.4
97.06541	4.2
99.04459	12.6
105.01877	85.3
105.07034	3.6
107.08575	4.8
109.02892	27.6
109.06525	3.1
111.08078	8.1
127.03931	84.4
131.08543	4.5
133.10092	3.3
145.03935	4.8
145.04977	53.5
147.02911	3.9
151.10974	2.9
159.02873	14.8
167.11812	3.1
177.09096	7.1
189.03891	3.0
195.10170	6.3
198.88971	3.0
201.94400	2.9
209.12762	4.1
231.04996	23.9
249.05980	8.1
264.10339	3.4
352.91476	3.4
367.72998	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.5
55.01875	13.6
55.05517	51.0
57.03443	26.2
65.03935	4.2
66.21867	2.6
67.05509	78.0
68.16331	2.9
69.03400	5.2
69.07069	61.3
71.04990	6.7
71.08619	7.7
71.52024	4.5
79.05497	83.3
81.03430	5.4
81.06592	5.0
81.07065	100.0
81.38388	2.9
83.04991	8.0
83.08621	33.5
85.06534	7.2
88.58960	2.7
91.05490	61.7
93.06484	6.3
93.07050	88.6
95.04982	7.2
95.08620	67.4
97.02908	3.1
97.06540	25.6
97.10166	6.6
99.08089	14.6
100.42304	2.9
105.07030	62.4
107.08602	54.4
109.06524	8.1
109.10161	19.7
110.02969	2.9
111.08063	7.7
117.07023	11.7
119.08588	41.7
121.10156	43.4
123.08108	5.2
123.11691	10.1
125.09624	5.7
129.06995	13.2
131.08563	18.8
133.03569	3.2
133.10133	37.4
135.11693	38.9
137.09596	4.3
143.08566	10.2
145.10109	16.5
147.11697	47.8
149.09673	5.9
149.13260	24.7
151.11189	9.2
157.10178	5.9
159.11684	14.4
161.13260	24.4
163.11195	5.6
163.14815	10.4
165.12761	9.4
171.11691	9.0
173.13263	10.6
175.14865	12.5
176.12025	3.2
179.14334	22.3
179.72881	3.0
185.13245	6.4
189.11127	4.2
189.12752	5.5
199.14824	7.9
207.13785	3.8
212.38420	3.2
231.21246	6.5
241.19492	18.4
257.38535	2.9
259.20563	57.7
276.09314	3.0
277.21616	38.3
321.22879	6.2
321.26248	3.7
333.24307	5.6
351.18719	3.7
351.25339	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.1
55.05514	21.2
57.03446	12.0
57.07067	5.5
65.03941	2.4
67.05511	60.9
69.03421	1.8
69.07069	18.0
69.56445	9.0
69.56856	2.6
71.04984	3.1
71.08632	7.7
75.04478	2.2
77.03931	2.8
79.05499	70.2
81.03391	2.2
81.07063	60.3
83.04978	4.3
83.08613	8.9
85.06546	4.6
91.05488	63.6
93.07053	99.9
95.04995	6.0
95.08614	43.2
97.06543	7.0
97.10178	3.2
98.20970	3.5
99.08103	7.6
105.04515	2.8
105.07041	58.9
107.08606	57.4
109.06525	4.1
109.10161	20.0
109.39085	1.6
111.08134	1.7
111.11683	1.7
111.78694	2.0
113.09629	3.0
113.57536	1.9
114.80038	1.6
117.07021	14.4
119.08591	58.4
121.06444	1.9
121.10157	42.6
123.08076	3.0
123.11751	4.7
125.09669	1.6
128.06302	2.3
129.07030	6.8
131.08571	23.2
133.10141	49.0
135.08102	3.7
135.11702	41.5
137.09627	2.1
142.07797	2.2
143.08582	14.4
145.10158	19.1
147.08057	1.8
147.11691	53.0
147.12810	2.9
149.09650	4.8
149.13268	29.4
151.11253	3.9
157.10124	11.1
159.11700	21.2
161.13268	42.3
163.11243	5.9
163.14854	8.2
171.11694	15.0
173.13205	10.1
175.11208	4.3
175.14839	22.0
177.12761	4.1
179.14322	11.8
185.13293	15.4
187.14838	3.7
189.12770	3.2
190.12376	4.3
199.14853	8.8
203.14392	2.7
213.16405	3.8
215.18123	3.2
217.19620	5.8
231.17610	1.8
231.21010	10.7
241.19528	39.6
259.20596	100.0
260.20901	2.2
277.21695	21.4
293.63394	1.8
325.35104	1.8
333.24280	8.9
351.25427	65.0
352.25385	2.1
363.21628	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57792	1.8
53.03948	4.2
55.01884	3.7
55.05513	20.6
57.03439	8.8
57.07074	3.8
59.05017	1.9
62.06330	1.8
65.03922	2.4
67.05512	57.7
69.07076	19.7
69.30979	15.7
71.04992	6.0
71.08645	2.3
73.78898	1.5
75.04491	3.0
79.05502	80.7
81.07063	69.5
83.05007	2.9
83.08639	9.4
85.06540	2.8
91.05488	59.9
91.52845	1.7
93.07053	99.5
95.04970	4.2
95.08616	49.3
97.06539	2.7
97.10178	3.6
98.20724	3.5
99.08117	6.0
105.04542	2.3
105.07043	71.7
107.08605	60.1
109.06528	2.8
109.10168	14.5
117.07008	14.9
119.08595	55.2
120.80693	1.7
121.10164	46.9
121.11048	2.8
123.11720	4.5
129.07021	8.3
131.08578	27.5
133.10141	54.3
133.11098	3.2
135.08105	2.5
135.11697	41.5
137.06050	5.5
137.09688	3.5
142.07866	1.8
143.08568	11.2
145.10135	19.1
147.11702	51.5
149.09630	4.1
149.13271	35.0
151.11226	3.8
157.10165	13.3
159.11699	22.9
161.09624	3.3
161.13278	47.2
161.14633	2.5
163.11189	4.7
163.14824	13.0
169.57272	2.0
171.11743	15.7
173.13274	12.5
175.11263	3.8
175.14836	23.5
177.12737	4.1
181.12257	2.4
185.13272	18.3
187.14882	3.5
189.12811	3.9
195.13771	2.1
199.14853	8.0
213.16443	4.1
215.17834	2.1
217.19547	5.0
228.17097	2.1
231.17499	2.8
231.21057	12.0
235.17027	1.8
241.19531	43.4
244.10670	2.1
259.20612	100.0
265.43176	1.8
277.21631	18.3
333.24313	6.6
351.25403	71.0
371.98859	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	4.9
55.01860	2.8
55.05516	23.0
57.03437	15.9
57.07078	4.9
65.03916	2.0
67.05176	3.6
67.05512	48.1
69.07075	18.0
69.41334	12.7
69.41751	2.8
71.05007	3.1
71.08636	50.4
79.05499	45.5
81.03422	6.4
81.07062	53.3
83.04984	10.5
83.08637	11.2
85.06566	4.5
91.05487	32.3
93.07053	55.3
95.04964	12.7
95.08614	39.1
95.09182	4.6
97.06536	9.4
97.10157	3.4
98.20752	2.7
99.08105	30.9
104.72875	2.5
105.07043	21.2
107.04954	6.8
107.08610	29.2
109.06499	4.6
109.10184	11.1
111.08059	3.0
117.07045	5.7
119.08586	18.7
121.10156	28.2
131.08604	5.7
133.10172	16.1
135.11697	29.4
137.09612	4.5
143.08598	2.5
145.10132	6.1
147.11716	8.0
149.13271	11.2
151.11148	13.6
153.12764	2.6
159.11710	3.0
161.13254	12.6
163.11176	6.8
163.14868	3.6
165.12732	2.2
171.11772	3.7
173.13257	3.0
175.14792	3.3
177.12738	5.2
179.14319	100.0
182.05515	2.4
189.12730	2.9
195.13828	2.4
199.14900	3.1
218.14723	2.5
221.15425	3.0
225.98512	2.2
235.16994	7.0
241.19456	4.7
259.20584	11.3
277.21591	31.8
312.66760	1.9
322.59821	2.1
351.25348	29.6
354.45728	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
55.01857	5.4
55.05517	31.7
57.03444	45.1
57.07075	3.8
59.06201	2.3
62.65322	1.9
65.03937	3.4
67.05508	74.7
69.07077	21.6
69.41847	14.3
71.05000	4.3
71.08627	3.6
73.06563	2.5
73.18600	2.1
79.05501	71.8
81.07062	88.3
83.04978	6.9
83.08620	19.5
85.06554	9.9
91.05486	61.2
93.07050	100.0
95.04963	7.7
95.08614	58.9
97.06544	8.3
97.10191	6.4
98.21454	4.2
99.08107	5.6
103.05472	2.5
105.04581	2.7
105.07038	51.4
107.08600	51.6
109.06483	2.9
109.10159	21.3
111.08082	5.4
117.07029	16.8
119.08594	47.3
121.10149	47.1
123.08043	4.9
123.11677	10.0
125.09623	3.8
129.07028	6.7
131.08592	22.5
133.09157	3.3
133.10138	44.5
135.11690	40.7
137.09656	2.8
139.11176	2.1
143.08569	8.2
145.10123	20.1
147.11697	42.4
149.09586	3.6
149.13306	24.3
151.11192	5.1
157.10161	7.4
159.11729	22.0
161.13239	24.9
163.11160	6.0
163.14900	6.0
163.67227	2.2
165.12752	5.8
171.11761	11.9
173.13330	10.9
175.14815	11.7
177.12715	5.0
185.13246	12.1
187.14778	10.1
199.14970	6.1
205.15833	5.2
221.18988	2.6
231.21176	8.0
241.19559	20.1
241.47070	2.1
258.04123	2.3
259.20599	58.5
277.21719	28.9
333.24521	10.5
351.25372	80.3
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
53.03938	6.6
55.01857	2.8
55.05510	19.1
56.11800	2.0
56.60288	2.0
57.03447	12.3
57.07067	5.0
65.03945	3.1
67.05508	58.4
69.07066	17.1
70.95948	4.0
71.04987	3.7
75.37827	2.0
79.05493	74.2
80.06237	2.1
81.07060	67.8
83.04974	5.0
83.08631	10.4
85.06541	4.0
91.04901	3.1
91.05477	59.8
93.07047	100.0
93.07643	4.8
94.68629	2.0
95.04965	3.6
95.08608	43.4
97.06528	5.4
97.10195	3.6
98.21315	2.4
99.08102	5.7
103.60357	2.0
105.04507	2.7
105.07033	57.5
107.08598	57.9
109.06504	2.8
109.10146	16.7
111.08062	3.1
113.09616	2.6
117.07044	10.8
119.08588	58.1
121.10141	49.3
122.19949	2.1
123.08115	2.4
123.11686	5.3
128.06319	2.1
129.06993	8.0
131.08559	21.1
133.10135	53.5
135.08047	2.5
135.10701	3.6
135.11697	49.6
135.57230	1.9
142.07736	2.2
143.08575	13.2
145.10115	24.9
147.11693	53.6
149.13283	31.8
149.14426	3.8
151.11201	1.9
154.41936	2.5
155.08540	2.3
157.10130	11.0
159.11693	21.4
161.13261	39.7
163.11160	6.6
163.14862	14.0
171.11699	13.4
173.13260	13.2
175.11346	2.8
175.14815	19.3
177.12753	5.2
185.13254	16.3
187.14880	4.2
191.14421	3.5
199.14810	9.5
203.14230	2.4
213.16296	5.6
215.18027	2.4
221.15338	2.6
231.17429	4.9
231.21066	7.2
231.23302	2.1
241.19518	35.4
259.20575	99.1
277.21634	13.3
333.24048	10.0
351.25348	62.0
355.86487	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1802
Annotation	Melicopol
Peak:m/z	Relative Intensity
53.03946	12.3
55.01862	7.2
55.05508	5.6
56.96851	1.5
57.03434	5.6
57.07056	2.9
59.04990	1.6
61.02917	3.2
62.00641	1.8
62.11235	1.6
65.03947	1.4
67.05508	13.8
68.77762	1.4
68.99804	1.5
69.03432	66.8
69.07068	3.8
70.06593	2.7
71.01358	3.6
71.04991	9.6
71.50999	2.6
72.08166	2.5
73.02927	4.3
79.05495	8.7
81.03424	20.7
81.07056	21.5
83.01351	9.3
83.04991	9.1
84.04502	4.6
84.08157	2.5
85.02911	69.4
85.06549	2.7
86.09720	1.7
87.04455	1.7
91.05489	17.0
93.07039	10.3
95.04965	5.9
95.08624	20.8
97.02895	36.0
97.06521	3.9
99.04453	21.6
101.02370	2.4
103.05461	2.5
105.07037	31.8
107.00012	1.5
107.04964	2.2
107.08594	12.3
109.02887	17.8
109.06528	12.2
109.10159	51.1
111.04434	10.8
113.06049	1.6
117.07039	5.0
119.04935	1.6
119.08586	34.9
120.08148	2.6
121.06516	4.8
121.10165	18.1
123.04492	2.7
123.08109	6.0
123.11713	61.6
125.05997	33.7
125.09586	1.9
126.05522	4.8
126.07225	1.3
127.03922	43.8
127.04816	2.7
127.30119	1.4
128.06252	1.7
129.06992	2.8
130.07764	3.6
131.04990	2.9
131.08559	12.9
133.06496	7.6
133.10127	7.3
135.08051	2.6
135.11685	1.7
137.05994	3.4
137.09605	2.8
138.05467	1.9
139.07526	5.6
141.06969	2.4
142.07774	2.7
143.08542	3.9
145.04993	10.7
145.06534	2.0
145.10123	17.2
147.08072	9.1
147.09236	6.6
147.11690	39.7
148.07603	2.6
149.06012	3.5
149.09625	23.3
149.10745	1.8
151.07556	21.3
152.07101	2.2
156.09384	5.5
157.10194	2.1
159.08073	4.3
159.09250	4.3
159.11719	2.8
160.08754	2.0
161.09657	6.4
161.13287	6.3
163.11223	4.6
165.05440	1.7
165.12804	4.0
166.08679	4.1
167.10715	3.2
171.08064	1.8
171.11688	8.3
173.10831	2.2
174.10323	13.9
175.08717	11.1
187.06030	1.7
187.11136	5.4
189.12738	49.6
194.08240	3.5
201.12776	2.7
207.13799	61.8
212.09265	1.9
225.14902	3.5
229.08762	1.4
231.13841	3.5
251.09149	11.5
255.11252	1.7
259.13321	2.4
263.13995	2.7
265.10797	2.3
269.10248	2.9
273.14822	3.0
277.10760	5.9
291.13400	43.1
308.16022	15.2
315.16132	1.7
333.16992	45.6
351.18066	100.0
352.18497	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55317	2.3
53.03946	9.7
53.25123	2.5
55.01878	17.0
55.05515	42.9
57.03437	31.8
57.07069	8.8
58.54128	2.2
59.05001	2.4
65.03947	4.0
67.05507	84.9
69.03417	2.4
69.07072	34.0
71.05032	5.5
71.08633	55.1
71.51305	3.3
71.51672	2.4
79.05022	2.8
79.05495	71.4
81.03407	6.8
81.07059	82.6
82.07390	3.6
83.04971	8.1
83.08621	20.4
85.06528	4.3
91.05484	49.7
93.07052	80.5
95.04983	13.9
95.08611	64.0
97.06522	10.7
97.10185	12.6
99.08096	54.5
105.07027	52.0
107.04941	5.4
107.08601	50.4
109.06533	11.8
109.10149	25.3
111.08067	14.0
117.07020	12.6
119.08582	42.9
121.10162	26.5
123.08096	4.9
123.11732	9.2
125.09634	13.4
129.06995	5.8
131.08600	19.2
133.10127	37.4
135.08098	3.0
135.11691	28.0
137.09659	3.9
141.12755	3.3
143.08604	6.8
145.10138	19.7
147.11697	31.3
149.09703	2.9
149.13309	16.2
151.11180	26.1
157.10201	7.4
159.11710	9.9
161.09630	2.9
161.13257	33.4
163.11171	17.0
163.14886	6.8
165.12808	9.7
171.11757	9.9
173.13321	8.0
175.11234	4.0
175.14862	15.4
177.12918	2.5
179.14301	12.8
185.13213	11.6
187.14850	6.9
189.12840	4.2
199.14897	7.4
208.81944	2.7
209.13124	2.4
217.19550	5.1
221.15663	3.9
231.21121	8.8
241.19550	18.4
249.22290	5.5
259.20547	39.6
277.21646	57.4
295.22757	4.0
333.24255	6.8
351.25345	100.0
352.25897	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.6
55.01862	8.1
55.05492	4.2
57.03432	5.6
61.33006	2.3
65.03937	3.1
67.05492	11.4
68.05515	2.4
69.03438	42.8
69.07069	3.4
69.16558	12.7
69.16986	15.0
71.04985	7.7
73.02891	2.6
79.05479	10.2
81.03400	10.6
81.07058	20.5
85.02911	83.8
91.05477	9.8
93.07071	5.8
94.06564	4.7
95.04951	5.7
95.08081	2.8
95.08609	16.1
97.02898	19.7
97.06506	3.3
99.04455	9.9
105.07053	21.1
107.04964	2.9
107.08598	8.9
109.02858	7.5
109.06503	6.3
109.09462	3.9
109.10163	43.3
111.04442	11.9
117.07027	3.8
119.08589	19.1
121.06548	2.6
121.10150	9.4
122.06017	6.5
123.08076	4.9
123.11716	63.1
125.05975	32.3
127.03924	20.2
128.06302	3.8
131.08589	5.4
133.06567	2.6
133.10162	5.2
135.08060	3.1
136.07536	2.5
137.05968	4.0
139.07553	7.6
143.08580	4.3
145.04970	6.3
145.06512	3.6
145.10130	15.0
147.08066	9.7
147.11723	21.8
149.09651	13.8
151.06294	11.3
151.07567	15.7
152.07080	71.8
156.09326	5.3
157.10136	3.7
159.08052	3.7
159.11697	3.7
161.09673	4.1
161.13264	3.1
162.05548	5.6
166.08655	100.0
169.01627	2.6
171.11760	5.8
184.07690	2.7
189.12740	34.9
194.08151	81.5
207.13829	89.0
211.08669	3.1
212.09189	66.2
212.11034	5.9
213.09840	3.7
213.12759	3.8
215.11839	3.7
217.12164	3.2
227.11807	11.3
229.09702	8.1
240.08896	5.3
241.09706	5.6
243.11299	7.4
251.09129	3.5
255.11351	34.7
256.09683	17.3
269.10184	3.4
271.10840	5.9
273.12347	13.9
273.14938	2.9
283.10818	6.0
301.11823	17.6
302.10181	22.6
319.12863	22.8
333.17294	16.9
351.13730	5.1
351.18045	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	351.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.3
55.05507	3.7
55.13167	2.1
60.04524	3.6
62.12033	2.3
67.05508	13.0
69.03420	7.0
69.07083	3.3
70.25704	2.3
71.04996	2.9
71.50707	4.2
79.05490	16.9
81.03419	4.2
81.07053	11.8
83.04998	3.4
85.02901	4.0
85.06538	2.7
91.05486	14.0
92.05067	2.5
93.07038	9.1
94.06560	4.3
95.04955	4.2
95.08602	7.8
97.02917	2.4
97.06580	3.6
98.91538	2.7
99.04474	4.8
105.07049	20.7
107.04949	8.7
107.08593	5.2
109.02827	3.2
109.06490	5.3
109.10171	3.4
110.17794	2.3
111.08089	7.8
115.05489	2.3
119.04913	3.5
119.08590	5.2
121.06516	3.2
122.06034	13.7
123.04433	4.6
123.08054	4.8
124.07553	3.1
127.03960	2.9
131.08562	2.7
133.10152	15.0
134.06087	4.1
135.04399	3.6
135.08009	2.8
136.07581	6.5
137.04660	2.7
137.05869	2.8
137.09598	3.9
138.05524	6.7
139.07542	10.5
143.08560	2.9
145.10120	3.2
149.09624	3.6
151.06287	6.2
151.07500	3.0
151.11201	2.4
152.07069	32.3
153.05490	27.5
158.09668	2.5
159.11707	3.4
160.07568	8.3
161.09636	13.5
162.05518	16.3
163.03978	3.0
163.11227	4.0
166.05002	9.7
166.08653	30.9
167.07071	55.6
168.10172	4.7
175.14751	2.8
179.10684	3.8
180.06500	8.5
184.06027	4.5
186.09151	3.9
188.07079	28.3
189.09108	6.5
194.08150	9.2
195.06555	47.0
200.10815	12.5
201.10713	2.7
207.13834	2.7
212.09218	12.3
213.07610	21.5
214.08640	33.6
228.10229	32.1
230.10213	16.5
231.08594	7.6
255.11255	4.1
256.09708	78.1
273.12454	3.2
274.10754	7.0
284.09198	28.9
295.55640	2.8
302.10257	100.0
307.20535	2.9
319.12979	19.2
351.14618	5.9
351.18652	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	351.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99853	1.0
53.03943	5.9
55.01881	2.2
55.05499	3.1
57.03423	2.0
59.00441	1.0
65.03934	1.9
67.05505	5.8
69.03432	15.2
69.07066	1.9
70.06570	2.9
71.04982	4.8
71.51668	1.8
73.02938	2.4
79.05135	1.1
79.05497	11.1
81.03418	24.0
81.07055	9.3
83.04969	1.4
85.02912	5.1
87.04459	1.5
91.05479	22.0
93.07039	12.0
95.04947	3.6
95.08606	4.6
97.02922	7.7
97.06492	2.1
99.04459	10.2
103.05462	1.4
105.07034	100.0
106.07383	1.5
107.04972	2.6
107.08598	13.6
109.02888	11.2
109.05846	1.2
109.06522	6.5
109.10149	3.4
115.05459	1.8
117.06991	4.0
118.07767	1.3
119.04997	1.8
119.06033	0.9
119.08582	19.8
121.06505	3.5
121.10132	4.2
123.08068	3.6
125.05981	1.1
125.09657	1.1
127.03913	15.9
128.06281	3.5
129.06975	1.3
130.07733	1.4
131.04922	1.2
131.08574	7.4
133.06508	8.1
133.10133	75.2
135.08089	1.6
135.11681	3.2
137.05943	1.6
137.09613	3.2
143.08566	9.9
145.10132	5.6
146.07233	5.0
146.11845	1.3
147.08046	7.1
147.11723	1.4
149.09575	2.1
151.07526	6.6
151.11214	3.3
157.10150	2.0
159.08073	2.7
159.11699	1.4
161.09621	93.9
162.10017	1.6
163.07637	1.2
163.11188	15.3
165.09073	2.2
171.08055	4.2
171.11687	1.0
175.11171	1.5
177.09135	1.1
179.10674	15.2
179.12183	1.1
185.09686	1.1
189.09103	22.7
191.10564	1.1
207.10178	11.6
215.97386	1.1
231.13995	1.1
244.22824	1.4
245.23035	1.5
279.12311	1.0
305.13666	5.0
315.12408	1.4
315.23151	1.2
319.09561	1.4
321.07098	1.2
323.14822	5.8
333.13297	8.5
351.14426	43.4
351.29449	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	351.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03930	2.2
55.01859	2.4
55.05500	2.0
57.03426	2.0
66.21548	0.7
66.39696	0.6
67.05512	3.1
69.03101	0.8
69.03438	12.2
69.07056	1.1
70.06591	0.8
71.04996	3.7
73.02909	2.4
76.28175	0.7
77.03971	0.7
79.05496	5.9
81.03423	8.7
81.07073	3.6
83.04961	1.3
85.02890	2.4
87.04475	2.4
91.05490	16.7
93.07050	6.1
95.04964	2.0
95.08578	3.1
97.02895	3.8
97.06492	1.0
98.97588	1.0
99.04446	4.5
103.05438	1.3
105.07037	74.3
106.07367	0.8
107.04932	2.0
107.08600	4.5
109.02901	4.0
109.06523	2.7
109.10126	1.6
115.05454	1.4
117.07020	2.8
119.08593	14.1
121.06521	3.2
121.10132	1.8
123.08072	2.4
127.03927	8.8
128.06250	3.6
129.06998	1.6
131.08563	3.9
133.06491	4.1
133.10141	64.4
135.08128	0.7
135.11710	1.6
137.09595	1.5
143.08559	6.7
145.04967	1.2
145.06407	1.1
145.10159	3.6
146.07275	3.0
147.08073	8.5
148.66322	0.7
149.09653	1.2
151.07550	2.9
151.11241	1.3
153.01801	1.6
155.08582	0.8
157.10205	1.0
159.08096	1.4
159.11716	1.2
160.67825	0.7
161.09631	100.0
162.09999	1.2
163.11172	7.9
165.09041	0.9
171.08070	2.7
173.09650	0.8
173.13374	0.8
179.10677	10.8
185.09615	0.8
189.09120	20.0
207.10185	9.1
218.17805	0.7
219.13832	0.7
231.08063	0.7
271.71667	0.9
305.13931	7.0
315.12451	0.9
323.14862	5.2
333.13370	11.5
351.14441	48.4
352.14728	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.1
56.73871	1.0
56.96307	1.3
56.96569	20.6
57.03438	2.2
61.02917	1.5
67.05508	1.4
69.03435	7.4
69.07088	1.0
69.24446	0.9
70.03806	1.0
70.04722	2.1
70.05074	2.7
70.06586	3.3
71.95243	2.6
72.08125	1.1
73.02911	2.9
81.03416	2.9
84.04489	1.0
84.08134	2.1
84.96033	6.0
85.02912	12.3
86.09714	1.6
87.04475	1.2
91.03951	1.3
97.02901	5.8
98.21456	1.5
98.97588	100.0
99.04500	1.1
107.04945	1.5
109.02855	1.7
110.97582	18.6
112.07599	5.2
112.99141	3.3
116.97828	1.8
116.98624	27.7
116.99455	1.4
119.00170	0.9
119.01892	1.1
124.99106	2.7
126.97018	1.7
127.03922	3.8
128.98610	12.2
129.02229	2.1
130.08641	1.7
131.00183	2.2
134.99713	5.2
140.98587	1.9
143.00172	4.6
143.01855	1.3
144.01984	1.3
144.13831	2.6
144.98143	1.9
145.01692	3.7
145.04996	2.4
146.99638	5.9
147.03334	5.7
147.04346	1.5
152.98596	3.8
153.01840	14.0
158.08136	2.3
158.97525	1.8
158.99654	33.4
161.01222	4.2
162.03340	1.0
163.02725	1.7
163.03946	1.5
165.04375	2.1
170.99687	6.3
171.03210	1.4
173.02989	1.2
175.02884	1.0
177.00722	21.7
182.99704	1.6
186.04555	2.1
188.03714	1.0
188.55005	2.0
189.00725	4.4
189.02768	0.9
189.04320	7.4
190.14375	2.7
200.02382	1.0
201.00700	5.4
203.03972	1.4
207.05354	2.7
214.03851	1.4
219.01767	26.6
219.05186	1.6
231.01576	1.7
231.05409	2.0
232.04964	1.8
234.99002	4.0
237.02840	30.7
243.05304	1.3
244.99588	1.1
260.57138	1.3
261.02844	1.4
291.04205	2.0
291.07468	33.1
303.01276	2.5
309.08569	59.0
313.08594	1.5
332.09967	1.5
351.10159	41.9
362.21091	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
57.84637	0.8
65.80222	0.8
68.99788	1.8
70.81938	2.3
77.03947	1.5
78.04691	1.0
79.05491	2.6
89.03915	1.9
91.05483	1.4
95.04999	1.0
103.05520	0.9
105.03395	4.4
107.04956	2.6
109.02871	0.9
117.03381	2.1
123.00705	0.9
131.04938	2.3
133.02859	9.2
134.03671	1.7
135.04381	3.1
135.05330	0.8
137.02344	2.3
137.06088	0.9
145.02837	5.7
147.04359	2.4
153.01839	1.0
159.04425	1.1
161.02354	14.2
162.03120	3.0
163.03923	22.3
165.01816	4.1
173.02348	4.8
175.03882	1.0
177.01866	1.9
178.02650	1.6
179.03372	2.8
181.01448	1.3
187.03975	2.0
189.01837	33.3
190.02609	4.2
191.03398	48.9
192.03990	1.7
193.01376	3.0
193.05026	1.2
201.01816	6.0
205.01343	2.1
205.04997	1.0
206.02092	2.8
207.02893	6.6
215.03392	3.4
217.01335	39.0
218.02101	10.6
219.02870	14.9
221.00954	1.2
221.04463	13.3
229.01328	2.3
231.02881	2.2
231.26324	0.8
233.04501	1.8
234.01683	1.7
235.02353	9.2
243.02919	2.3
245.00838	39.5
246.01537	2.9
247.02391	15.3
249.03967	60.1
250.04288	1.1
253.03416	1.0
257.00940	1.3
261.03955	4.0
263.01834	8.4
271.02441	1.9
273.00296	39.3
274.01022	13.1
275.01859	9.1
277.03522	10.7
279.05206	2.2
287.01889	1.3
289.03394	5.5
291.01331	7.1
300.99783	28.6
302.00217	1.4
305.02859	9.4
319.00833	3.7
333.02374	2.9
333.14401	1.2
351.03482	100.0
351.15485	3.9
352.03897	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	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86224	5.1
56.61010	5.5
58.01394	4.6
62.66724	4.5
66.75917	7.0
69.62618	26.3
72.93508	6.0
82.53139	5.4
85.02899	14.5
101.00889	14.3
103.00636	26.0
113.00872	12.9
115.00634	10.7
115.02417	10.5
119.01924	14.8
121.01670	20.5
127.02351	6.5
131.01912	23.8
133.01663	19.2
143.01907	13.7
145.01596	7.8
145.03453	15.0
147.03172	5.3
155.01929	26.4
157.03481	13.4
161.02985	11.4
163.02748	6.2
167.01889	6.8
168.34526	4.8
169.03482	7.5
170.99628	22.2
171.04976	8.8
173.02945	21.8
185.03056	8.8
189.00658	13.2
198.99071	8.7
201.00751	8.1
203.03952	9.5
215.00562	8.6
217.00119	34.8
219.01631	6.4
219.52245	6.6
221.05093	8.8
223.04927	6.8
231.01723	23.6
231.03728	8.5
235.06715	6.6
241.05742	5.5
247.06619	6.3
249.02734	43.9
253.07744	7.2
257.05042	7.8
261.02768	8.8
261.08173	5.3
289.07632	19.5
301.04221	7.2
319.03732	6.8
333.06592	16.7
351.07007	100.0
351.12000	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	351.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83051	4.0
70.41739	13.6
98.95531	4.5
101.13180	4.0
101.90965	4.4
287.05215	10.7
351.06818	100.0
351.11279	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.5
53.00310	1.0
53.03942	0.9
54.37038	0.5
55.01878	0.5
62.12890	0.5
63.02390	0.6
65.03955	0.9
67.01852	0.6
68.99799	1.4
69.03432	0.6
71.04984	0.5
71.34890	1.0
77.03958	1.2
78.04704	1.2
79.05501	2.8
81.03420	0.9
83.54510	0.5
84.08130	0.6
85.02920	0.8
86.54716	0.7
89.03918	2.4
91.05495	1.4
95.04981	0.9
99.00814	0.8
103.05434	1.1
105.03396	5.1
106.04170	0.9
107.04935	2.8
110.07228	0.6
115.05457	0.8
117.03385	3.0
119.01365	0.5
119.04892	1.1
121.02851	0.7
131.04958	1.8
133.02858	9.8
134.03682	0.7
135.04474	3.0
137.02325	1.6
139.03911	1.1
145.02832	5.5
146.03604	0.5
147.00803	0.6
147.04430	2.8
149.02356	0.9
151.03883	0.6
153.01834	1.5
159.04453	1.5
161.02351	18.3
161.06007	0.9
162.03127	4.8
163.03918	25.0
165.01828	3.9
165.05493	0.8
167.03412	0.5
170.06310	1.8
171.06657	1.3
173.02373	4.8
175.03922	1.5
177.01913	2.4
177.05406	1.8
178.02686	2.5
179.03384	3.9
181.01512	0.5
187.03931	2.8
189.01845	36.3
190.02608	5.9
191.03406	54.2
192.04034	1.6
193.01308	3.5
193.04964	1.8
201.01910	4.7
202.02498	0.8
203.03423	1.8
205.01288	2.4
205.05005	1.6
206.02097	3.4
207.02898	6.3
209.04446	0.7
215.03337	2.8
217.01337	42.3
218.02110	15.0
219.02893	17.9
219.04907	1.2
221.04456	15.3
223.02295	0.7
229.01288	2.7
231.02866	1.1
233.04445	2.5
234.01495	2.5
235.02400	9.2
242.10420	0.7
243.02951	2.4
245.00836	43.0
246.01451	2.3
247.02408	13.1
249.03961	64.2
250.04407	1.8
253.03416	1.0
257.00830	2.2
259.02200	0.7
261.03879	4.7
262.01141	0.6
263.01886	10.5
271.02426	2.8
273.00314	42.2
274.01068	12.2
275.01874	8.7
277.03470	9.7
279.05038	2.8
287.01926	0.9
289.03378	5.7
291.01364	7.3
300.99799	29.5
305.02930	9.7
319.00781	3.8
323.03955	0.9
333.02261	3.3
333.14587	0.9
351.03482	100.0
351.10605	4.4
351.15616	1.8
352.03809	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	350.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.5
55.01841	7.4
55.05504	8.9
57.03426	11.3
61.02900	10.0
69.07061	22.5
71.51450	9.2
79.05494	25.2
81.03385	12.1
81.07078	43.5
82.28416	6.7
83.04958	9.7
85.02895	25.3
85.06588	7.1
91.05488	54.9
92.05814	17.5
93.06501	7.1
93.07056	100.0
94.52731	7.2
95.08605	21.1
97.06519	8.8
104.67596	6.8
105.07039	54.4
107.08602	56.9
109.06512	8.3
109.10128	11.0
113.48637	6.5
119.08569	11.9
121.10199	6.8
127.03874	11.5
131.08571	9.8
133.10120	32.8
135.11693	64.2
153.12706	16.7
161.09633	25.0
163.11237	9.0
179.10709	7.8
268.21268	7.6
350.23630	10.3
351.14407	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	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11982	7.5
55.05516	10.0
56.21535	6.4
68.96970	7.8
69.03429	13.0
69.07080	10.2
71.50593	9.3
74.41121	8.2
79.05486	24.1
81.07069	17.9
85.02893	27.3
86.09692	27.2
91.05478	19.0
93.07056	51.9
94.28484	8.2
95.08592	11.2
97.02818	7.3
105.07018	14.8
107.08593	36.8
109.02895	10.3
115.95782	7.1
120.08165	16.7
127.03931	8.5
133.10156	10.0
135.11705	100.0
153.12735	18.8
157.13332	9.0
192.12486	8.8
264.15790	8.6
363.71713	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	350.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01863	1.7
55.05502	2.4
57.03432	3.5
59.04992	1.1
60.04522	1.6
61.02932	4.0
67.05502	2.2
69.03436	10.5
69.07072	6.0
70.06622	0.6
70.48969	2.1
71.01378	0.7
71.05003	4.1
73.02919	2.2
74.14169	0.5
79.05481	2.4
80.35841	0.7
80.63535	0.6
81.03410	2.1
81.07056	5.5
83.04987	0.9
85.02905	9.5
91.05485	3.8
93.06489	1.0
93.07053	18.8
95.04966	0.8
95.08630	4.3
97.02901	2.9
97.06525	1.3
98.21379	0.8
99.04444	2.2
103.05482	0.8
105.07022	1.9
107.08603	11.8
109.06509	0.7
109.10184	2.7
116.05026	0.5
117.05540	0.9
118.06574	3.7
119.08579	1.3
120.08125	1.6
127.03925	1.8
132.08101	1.2
133.10077	1.0
135.10695	1.2
135.11699	18.1
137.13249	1.2
145.04971	2.0
145.07626	17.3
146.08450	0.7
147.09177	21.6
153.12759	11.3
157.07648	1.1
159.09198	11.0
159.10420	1.1
160.09908	1.6
161.09616	0.8
161.10812	0.6
164.47601	0.6
173.07161	2.8
173.10725	1.6
175.08665	1.8
183.09224	0.6
184.09938	0.6
185.10770	2.9
186.11528	0.6
187.08682	1.2
187.12317	1.6
189.10243	1.2
191.08171	100.0
192.08533	1.6
197.10745	1.3
199.08662	1.1
199.12337	1.3
201.10240	0.8
213.10229	1.7
215.11841	1.3
216.07689	10.5
223.07368	1.3
225.10191	0.8
233.09267	0.6
243.11365	0.7
263.13928	7.9
269.08096	1.3
289.11728	3.7
307.12903	56.8
308.13162	1.1
332.28033	0.6
339.46567	0.6
350.13489	46.2
351.13889	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01861	1.2
56.03072	0.8
60.46905	0.8
63.86929	0.8
63.87267	0.7
65.03936	1.3
67.05534	0.8
69.03426	1.8
70.06586	1.3
70.67223	2.3
71.03693	0.8
79.05482	3.0
85.02903	4.5
91.05487	14.7
93.07047	66.3
97.02889	1.3
99.80893	0.9
99.96555	0.8
107.08601	9.1
117.07015	8.2
127.03900	1.5
135.08057	48.9
152.05310	15.1
153.09108	100.0
154.09454	2.4
170.06349	5.8
171.10167	47.3
188.07420	1.5
196.68158	0.8
250.05899	1.0
332.11530	1.6
350.12735	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.2
55.01868	4.9
55.05519	10.3
55.37575	1.7
60.04518	5.9
65.03943	2.4
67.01849	2.2
67.05518	9.6
69.03443	12.1
69.03754	2.3
69.07069	3.2
70.06596	7.5
70.86362	2.6
70.86682	2.6
71.05009	2.9
72.12386	1.5
79.05495	24.0
81.03375	1.7
81.07056	61.4
83.04971	5.7
84.04503	2.0
84.08159	1.8
85.02894	4.0
85.04887	2.1
85.06520	1.6
86.09706	6.2
88.04011	3.8
91.05470	17.2
93.07043	7.7
95.04980	14.9
95.08598	2.2
97.06551	3.6
99.04453	7.8
103.05477	2.4
104.17591	1.6
105.07031	14.7
106.05022	3.3
107.04969	10.1
107.08590	6.1
108.97778	1.8
109.02914	2.3
109.06521	68.4
111.04452	1.9
115.05471	2.6
116.06298	2.1
116.07092	4.8
117.07034	5.5
119.04897	2.3
119.06123	2.2
119.08582	50.5
120.08095	7.5
121.06513	26.7
121.10117	7.5
122.02717	1.8
123.04420	2.8
123.06803	2.9
123.08083	4.9
124.07621	2.0
127.07573	13.7
128.06209	4.5
128.07085	2.7
129.06981	5.7
130.05019	1.6
131.08577	11.9
133.06529	8.9
133.10130	9.7
134.06021	3.1
135.04437	18.5
135.08047	8.4
136.07596	3.4
137.05980	42.7
141.06990	4.0
142.07784	7.9
143.08569	11.2
143.43428	1.7
144.09396	2.9
145.06506	9.4
145.10114	11.7
147.08032	11.7
147.11693	6.2
149.05977	4.8
151.07538	5.8
152.07071	38.7
153.01820	7.7
154.02229	1.8
155.08568	2.4
156.09349	7.9
157.06482	2.9
157.10141	15.6
158.07288	2.6
159.08058	35.5
159.11678	14.1
160.08852	4.3
161.06000	11.7
161.09650	10.0
161.13216	2.7
163.07526	3.5
166.07727	2.6
167.08571	2.0
168.06459	1.9
169.54871	2.1
171.11684	14.2
172.08817	5.1
173.09601	6.8
173.13268	22.8
174.06812	3.4
175.07520	6.9
175.11188	18.0
181.10139	5.5
184.08810	4.2
185.09650	11.4
187.07463	9.9
187.11230	4.8
188.08328	3.7
189.09189	2.7
189.12724	3.9
198.07637	86.8
199.11208	24.1
201.12715	8.4
203.10741	22.7
209.09633	4.4
212.08308	4.8
215.10693	21.1
217.12254	37.3
219.13904	3.3
227.10692	13.0
241.08260	2.2
245.11746	100.0
309.43524	1.9
350.16040	36.8
350.20068	3.5
359.75085	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03441	1.0
57.68465	0.4
58.99590	0.9
61.02924	1.6
65.03946	4.7
69.03446	4.6
69.45004	1.5
69.45415	1.1
70.06590	1.4
70.99580	0.5
71.04981	0.7
72.03785	0.4
73.02925	1.1
79.05491	0.6
81.03413	2.1
81.07069	0.5
84.04496	0.4
84.08142	0.9
85.02908	11.2
87.04463	1.3
91.03955	0.6
91.05476	1.7
92.28293	0.4
93.07065	1.9
94.06573	1.7
97.01117	1.4
97.02914	4.4
98.20760	0.8
99.02682	7.9
99.04448	1.4
100.03500	0.7
107.07355	0.4
107.08590	0.6
108.08125	0.5
109.02888	1.9
119.04914	0.7
120.08139	0.6
121.08952	0.5
126.03731	2.8
126.29404	0.4
127.03755	2.1
127.04562	1.5
128.07108	0.5
131.52679	0.4
135.08055	1.0
138.05461	0.4
139.04509	1.4
140.05278	3.6
145.04951	1.5
147.04422	1.9
151.73193	0.3
152.05298	100.0
153.01857	0.5
153.05624	1.3
153.09084	2.8
154.05714	0.7
154.06865	7.5
170.06361	31.9
171.10170	1.5
173.06519	0.4
188.07410	13.4
204.08710	1.1
332.07687	0.7
332.11615	12.2
350.01089	0.4
350.12634	6.3
350.16718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.9
56.05025	5.1
56.96558	6.5
65.03933	7.0
68.99813	4.4
69.03400	7.1
70.06601	34.4
73.02903	3.6
73.21494	3.6
83.04994	4.9
84.08141	5.7
85.02913	22.7
97.02896	6.2
98.97592	6.2
110.07068	4.0
111.04449	30.6
112.07579	11.5
127.03934	7.6
129.03201	3.7
139.03909	84.7
139.04910	6.1
140.66508	3.8
145.05028	4.4
153.01817	7.4
153.09103	7.6
158.08142	15.4
171.06535	100.0
171.10176	4.7
175.78096	3.5
219.01732	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	350.127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
54.22886	0.3
57.03439	0.9
58.99599	0.8
60.83378	0.3
61.02919	1.4
65.03943	1.2
67.05511	0.4
69.03438	4.3
70.06592	1.1
71.51129	0.4
73.02911	0.9
77.14302	0.3
81.03431	1.6
81.07035	1.0
82.06575	0.5
85.02441	0.5
85.02920	7.7
86.09679	0.3
87.02715	0.6
87.04465	0.5
89.82774	0.3
91.03979	0.6
97.01119	0.5
97.02902	3.0
98.97596	0.8
99.02692	4.9
99.04444	0.7
106.06516	0.6
107.04957	0.4
107.07333	3.4
107.08518	0.7
109.02901	0.9
120.08122	0.6
127.03914	1.9
128.07077	0.7
134.10516	0.4
135.48393	0.3
139.04526	8.2
140.05305	11.8
145.04948	2.0
152.05304	7.7
153.01816	0.5
170.06364	100.0
171.06648	1.0
188.07423	37.0
189.01868	0.4
217.01405	0.3
219.02890	0.4
249.03993	0.4
350.08997	0.5
350.12711	5.1
350.16782	0.6
351.03308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03943	1.2
55.01868	1.6
55.05516	8.1
57.03430	2.4
57.07067	1.3
66.43830	0.6
67.05511	10.9
69.07075	15.7
69.43640	2.6
69.44066	2.2
71.04994	1.5
73.06542	0.9
79.05502	9.9
81.07067	15.4
83.04977	2.1
83.08627	6.0
85.06553	0.9
91.05482	7.7
93.07050	10.3
95.04959	1.2
95.08613	12.2
97.06533	4.3
97.10165	2.2
99.08109	0.8
100.54606	0.6
105.07035	6.7
107.04979	1.0
107.08598	10.4
109.06519	12.4
109.10163	4.7
111.08069	2.1
117.07025	2.1
119.06073	0.6
119.08585	7.2
121.06526	1.4
121.10158	6.6
122.07280	1.2
123.08076	71.5
123.11724	2.1
124.08399	0.7
125.09638	0.9
131.08542	2.2
133.10146	4.8
135.08075	6.0
135.11745	3.5
137.09647	4.9
143.08543	1.0
145.10135	3.3
147.11719	3.2
149.09630	3.5
149.12180	0.8
149.13290	2.1
151.11198	1.3
159.11714	2.6
161.13263	2.3
163.11201	1.8
165.12744	1.6
167.14435	0.7
173.13243	1.6
177.12857	1.3
179.14339	7.6
239.17999	0.8
247.20660	0.8
257.19138	1.3
275.20068	6.0
293.21121	19.7
331.26511	4.2
349.24228	4.3
349.27414	100.0
350.27634	1.7
358.70004	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03940	1.4
55.01868	2.0
55.05515	7.8
57.03446	2.5
57.07067	2.0
61.39237	0.5
65.22987	0.5
67.05509	10.7
68.28954	0.5
69.03429	0.8
69.07075	14.6
69.68644	0.5
71.04996	1.3
71.08643	0.8
71.51537	0.6
71.51943	0.6
73.06545	0.8
74.47202	0.5
79.05074	0.8
79.05499	10.5
79.82729	0.5
80.68562	0.5
81.07063	13.0
83.04978	1.6
83.08625	5.6
85.06541	1.4
91.05483	6.8
93.07044	9.7
95.04966	1.4
95.08607	9.8
97.06537	3.6
97.10159	1.6
99.08114	0.8
99.21609	0.5
105.07035	9.2
107.04927	1.0
107.08607	12.1
109.06527	12.5
109.10170	5.2
111.08089	2.7
113.09579	0.6
117.07024	1.8
119.08575	7.5
121.06508	1.5
121.10152	5.3
122.07281	0.8
123.08074	62.5
123.11692	2.5
124.08478	0.7
125.09632	1.1
131.08572	2.2
133.10130	5.2
135.08066	5.6
135.11703	3.1
136.08861	0.8
137.09615	4.1
137.13298	1.0
143.08554	0.7
145.10147	2.9
147.11682	3.3
149.09616	3.2
149.13240	2.3
151.11209	1.2
157.10139	0.9
159.11664	3.1
161.13271	2.7
163.11243	1.1
164.09467	0.5
165.12872	0.8
167.14200	0.6
171.11752	0.9
173.09738	0.6
173.13301	1.8
175.14853	0.6
177.12743	1.4
179.14317	12.4
233.19037	0.6
239.17952	1.1
247.20619	0.8
257.18985	0.9
275.20078	5.4
279.09402	0.6
289.25314	1.1
293.21140	16.6
307.22672	0.9
331.26199	3.3
349.24127	4.8
349.27399	100.0
350.27637	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61644	2.6
53.03945	10.5
55.01873	30.5
55.05508	45.4
56.96570	5.3
57.03437	22.6
61.02923	3.2
65.03932	5.7
67.05510	75.6
69.03427	7.5
69.07072	53.2
71.04999	6.0
71.50900	3.7
71.51285	3.3
77.48495	2.6
78.83113	2.3
79.05498	100.0
81.03411	11.8
81.07054	63.4
83.04995	14.7
83.08611	15.0
85.02920	4.3
85.06522	6.4
91.05482	87.1
93.07048	58.0
95.04961	12.4
95.08608	36.2
97.06537	32.5
97.10177	13.6
100.11297	7.5
103.05475	4.4
104.51691	2.9
105.07034	84.6
106.06546	3.1
107.04959	28.7
107.08596	99.8
107.09313	5.8
109.05869	2.6
109.06487	14.1
109.09454	3.6
109.10149	27.1
111.08104	8.3
115.05479	6.0
117.07014	27.3
119.08591	48.6
121.06520	10.5
121.10159	24.6
122.09653	2.7
123.08068	7.5
123.11700	3.8
125.09602	16.3
128.06171	4.2
129.07030	12.5
130.06569	4.4
131.08562	38.2
133.06505	3.4
133.10147	39.5
135.08064	7.4
135.11729	14.8
137.09621	7.4
139.11179	4.3
141.06989	7.2
143.08560	12.5
145.06468	5.8
145.10126	85.7
146.06023	7.8
147.08075	6.7
147.11703	34.9
149.09621	36.4
149.13269	5.0
151.11206	4.7
155.08562	8.3
157.10139	8.5
158.06020	5.5
159.08092	4.2
159.11690	28.1
161.09589	9.0
161.13274	9.4
163.11192	18.9
169.10143	12.0
171.08043	4.9
171.11655	13.4
172.11153	6.2
173.09608	4.7
173.13297	10.9
175.11203	3.3
177.12770	6.3
179.08568	3.4
179.14299	7.7
181.10089	4.0
182.09656	4.5
183.08154	3.1
183.11757	8.9
185.13278	6.8
186.09074	3.3
187.11192	6.8
189.11232	10.6
193.10179	4.1
193.12187	3.1
195.08076	7.4
195.11676	17.7
197.13319	8.3
200.10709	14.9
211.11195	4.8
215.14314	3.9
219.17633	3.1
221.13341	3.0
223.11214	4.6
228.10188	23.9
229.19496	3.5
235.11275	4.9
237.12737	6.7
239.18002	15.1
246.11243	14.9
257.18991	45.9
267.09174	4.0
269.10574	3.8
275.20084	71.1
293.21063	3.1
331.22879	7.3
349.23737	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03941	0.9
55.01866	1.9
55.05513	7.1
57.03434	1.0
57.07067	1.9
60.31691	0.6
65.03946	0.7
67.05503	9.2
68.92755	0.6
69.07072	14.3
69.55105	3.3
69.55531	1.3
71.04997	1.6
71.08641	0.8
71.87505	0.8
79.05493	7.7
81.03443	0.7
81.07064	11.2
83.04987	1.6
83.08627	4.6
85.06537	1.1
91.05476	5.9
93.07056	8.5
95.04974	2.2
95.08611	11.7
97.06552	3.3
97.10178	1.0
99.08076	0.7
105.07038	8.5
107.04959	2.4
107.08610	8.3
109.06532	12.4
109.10152	4.4
109.30856	0.6
111.08040	2.0
117.07053	2.1
119.08601	5.7
121.06438	1.3
121.10133	5.5
122.07355	0.7
123.08076	65.9
123.11707	2.3
124.08375	0.8
125.09644	1.4
131.08589	2.0
133.10143	5.5
135.08055	5.9
135.11719	2.8
137.09610	4.1
145.10132	2.9
147.11691	2.6
149.09622	1.9
149.13264	1.9
151.11238	0.8
159.11681	2.1
161.13263	2.0
163.11234	2.0
165.12831	0.9
167.14450	0.8
171.11746	0.7
173.13367	0.8
177.12723	0.9
179.14326	12.9
189.12787	0.8
233.18884	0.9
239.18028	0.7
261.21872	0.8
275.20074	5.0
289.25140	0.9
293.21149	16.5
307.22742	0.8
331.26117	3.8
349.24323	4.0
349.27411	100.0
350.27707	3.0
357.45993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02010	2.1
53.03935	8.2
55.01881	17.7
55.05520	33.7
57.03437	22.7
57.07075	5.3
63.29377	1.9
65.03937	6.6
66.29272	2.2
67.05508	94.9
69.03426	4.7
69.07071	55.7
69.45274	16.7
69.75216	2.4
71.04985	4.2
77.03931	3.3
79.05500	100.0
81.03442	11.7
81.07064	91.2
83.04980	12.1
83.08629	14.9
85.06545	4.1
91.05486	85.9
92.03299	2.3
93.07051	76.4
95.01353	7.9
95.04972	17.6
95.08613	56.8
97.06521	18.9
97.10161	9.3
98.20821	6.0
98.21479	4.6
102.33427	2.4
103.05464	5.5
105.04520	3.1
105.07040	87.6
107.04960	22.6
107.08600	60.7
109.06525	14.3
109.10155	15.6
111.08096	4.7
117.07039	27.1
119.08587	65.5
121.06520	8.5
121.10149	26.6
123.08064	8.5
123.11668	5.9
125.09639	7.4
128.06264	3.7
129.07027	9.5
131.08571	40.1
133.06448	4.4
133.09154	2.8
133.10135	55.4
135.08020	9.5
135.11699	20.4
137.09618	9.9
139.07516	3.0
141.07010	5.2
143.08565	6.7
145.06485	3.4
145.10130	28.6
147.11687	30.1
149.09645	22.5
149.13240	7.0
151.11157	4.6
155.08546	3.3
157.10114	6.8
159.11732	25.9
161.09624	3.5
161.13272	11.8
163.11176	13.2
169.10164	5.1
169.12398	2.6
171.11687	7.0
173.13237	17.0
175.11218	2.8
177.12723	6.4
179.14284	9.6
181.10126	2.8
183.11713	4.4
185.13329	4.3
187.11134	6.9
187.14893	4.2
189.12758	2.8
197.13295	4.6
229.19447	6.4
233.15292	3.0
239.17981	4.7
247.20647	7.2
257.19070	14.9
269.10602	3.0
275.20068	84.1
276.20145	2.8
349.23746	60.7
350.24124	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.9
53.03947	8.5
55.01876	20.2
55.05514	31.2
56.90984	2.4
56.96563	3.0
57.03442	44.2
65.03937	3.8
67.05508	62.3
69.03415	3.7
69.07072	42.4
71.05005	7.9
78.14758	2.8
79.05497	80.7
81.03432	5.1
81.07062	71.6
83.04984	9.9
83.08614	17.4
85.02929	3.2
85.06535	9.6
91.05485	82.4
93.07051	74.6
95.04976	10.0
95.08613	45.7
97.06535	29.1
97.10184	6.7
99.04445	2.9
103.05502	2.9
105.04439	2.3
105.07037	99.3
107.04974	14.1
107.08596	54.2
109.06532	13.0
109.10162	14.7
111.08102	3.8
115.05477	5.1
117.07026	42.2
119.08584	69.7
121.06547	8.9
121.10153	19.8
123.04422	3.0
123.08086	8.7
123.11764	3.6
125.09647	7.9
127.07597	2.7
128.06262	4.4
129.07011	16.1
130.07825	3.7
131.08578	47.3
133.10141	49.1
135.08081	7.9
135.11720	11.2
137.09633	5.1
141.06972	4.7
143.08578	18.5
145.10135	56.7
147.08035	3.9
147.11700	35.7
149.09628	14.6
149.13278	6.9
151.11183	4.8
155.08528	6.1
157.10110	17.6
159.11687	52.5
161.09657	4.2
161.13277	16.2
163.07632	2.9
163.11174	14.4
169.10167	9.3
171.11716	10.5
173.13200	19.1
175.11243	5.2
175.14899	3.9
177.12787	6.4
179.14388	5.5
183.11737	9.0
185.13242	21.2
187.11145	3.1
187.14870	5.7
191.14397	2.4
197.13269	5.6
201.16580	3.3
203.14418	11.2
211.14923	3.5
215.18073	4.8
219.17455	17.1
221.15414	3.2
226.09479	3.1
229.19574	10.4
231.31552	2.7
239.17897	16.1
247.20750	2.6
257.19040	46.3
267.09134	6.3
275.20074	72.5
277.18188	3.0
285.10199	5.5
331.22653	3.6
349.23840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.0
55.01878	19.1
55.05519	41.1
56.12782	2.2
56.96573	3.1
57.03444	21.8
57.07095	3.3
61.43891	2.2
65.03948	7.6
67.05512	76.2
69.03435	6.4
69.06734	3.2
69.07079	44.2
70.56785	8.5
71.04991	5.8
77.03938	4.3
79.05499	91.0
81.03420	8.7
81.06589	5.4
81.07066	96.1
83.04973	11.3
83.08630	14.1
84.76237	2.4
85.06536	3.3
85.96545	2.8
91.05492	84.8
93.07053	71.2
95.04978	15.1
95.08611	51.9
97.02872	3.0
97.06538	20.1
97.10188	7.6
97.98524	2.3
103.05492	3.4
105.04518	3.9
105.07045	100.0
107.04966	17.3
107.08605	68.5
109.06504	17.7
109.10172	23.6
111.08087	6.2
115.05499	2.5
117.07031	29.6
119.08588	62.1
121.06554	7.3
121.10149	26.8
123.08097	10.1
123.11724	3.4
125.09638	8.1
129.07043	12.7
130.07826	3.1
131.08588	47.9
133.10144	55.4
135.08092	10.4
135.11687	20.3
137.09636	3.6
141.06975	5.3
143.08586	8.4
145.10150	50.6
147.08070	3.1
147.11690	33.4
149.09641	24.0
149.12215	2.8
149.13304	11.1
151.11148	6.3
155.08559	4.8
157.10179	9.7
159.11707	35.3
161.09637	5.9
161.13274	12.4
163.11270	16.2
169.10141	6.8
171.11763	8.5
173.09642	3.4
173.13269	14.3
175.11273	3.6
175.14897	4.0
177.12830	6.4
179.14365	8.5
183.11740	6.4
187.11252	4.8
187.14876	4.9
189.11336	4.6
189.12839	2.8
193.12386	3.5
194.11815	21.5
197.13280	5.3
215.18083	4.3
229.19482	6.1
233.15390	3.9
239.18060	12.2
247.20641	5.4
257.19022	38.1
275.20096	81.9
285.10229	2.8
305.32248	2.6
326.71786	2.3
349.23840	98.5
350.23849	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	18.4
55.01878	20.2
55.05511	27.2
55.63561	2.2
56.96558	2.1
57.03437	24.7
64.29741	2.2
65.03944	5.2
67.05504	86.6
69.03426	5.6
69.07069	71.5
70.47544	2.4
71.04987	3.5
77.03918	2.4
79.05492	69.0
81.03420	29.8
81.07057	99.0
83.04992	15.3
83.08626	11.3
85.02901	3.4
85.06544	4.2
89.98219	2.0
91.05486	74.9
91.14060	2.3
92.05781	2.2
93.07046	69.4
95.01332	21.6
95.04979	24.9
95.08608	60.3
95.09177	4.1
97.02908	2.6
97.06530	30.4
97.10181	5.3
98.20813	6.7
98.21500	7.3
99.08103	4.4
105.04552	2.9
105.07035	100.0
107.04956	39.0
107.08596	40.6
109.06525	11.3
109.10149	18.1
111.08093	5.8
117.07018	26.0
119.08580	56.9
121.06509	8.4
121.10164	15.0
123.04426	4.9
123.08083	8.1
123.11732	3.8
125.09638	5.5
128.06216	3.7
129.07013	5.6
130.07788	3.0
131.08572	40.5
133.10129	56.8
135.08049	9.5
135.11694	20.1
137.09612	5.6
141.07043	4.7
143.08556	5.0
145.06485	5.5
145.10129	27.0
147.08130	2.4
147.11682	25.0
149.09621	12.9
149.13274	8.8
155.08549	2.8
157.10129	6.3
159.11713	29.6
161.09709	3.1
161.13268	8.5
163.11197	9.5
165.09148	2.2
169.10088	6.6
171.11632	3.3
173.11696	2.1
173.13229	8.4
177.12767	11.0
179.14314	29.1
183.11671	3.9
185.13297	2.3
187.11166	9.3
197.13226	4.3
205.12221	2.9
215.11244	2.3
229.19505	5.2
239.18121	4.1
247.20563	2.3
253.12833	3.5
257.19028	13.5
267.08929	2.4
275.20059	72.4
285.10196	3.1
291.22122	2.0
349.19843	3.2
349.23804	53.7
350.24045	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22568	2.1
53.03952	20.5
55.01880	23.3
55.05266	3.0
55.05513	33.9
57.03443	23.4
57.07063	2.4
65.03951	3.8
66.33089	2.1
67.05506	80.3
69.03423	4.8
69.07073	72.2
69.27553	4.2
69.27961	16.5
71.04994	6.3
76.11955	2.5
77.03924	3.9
77.71093	2.0
79.05501	83.3
81.03424	38.3
81.07059	97.3
83.04995	16.7
83.08620	15.3
85.06555	2.6
87.21030	2.0
91.05488	85.3
93.06484	4.7
93.07050	77.4
95.01329	27.1
95.04977	21.1
95.08616	65.7
97.02911	2.0
97.06530	34.4
97.10171	6.8
99.08095	2.7
103.05454	4.0
105.07039	100.0
107.04298	4.3
107.04961	49.5
107.08608	44.6
109.06534	11.5
109.10178	16.7
111.08069	4.5
115.05469	4.5
117.07013	32.1
119.08585	57.2
121.06503	9.8
121.10164	15.6
123.04429	4.0
123.08094	12.6
123.11706	2.8
125.09647	3.8
129.07011	8.9
131.08591	44.1
133.06546	3.2
133.10136	64.6
134.77678	2.0
135.08072	7.4
135.11710	17.9
135.64268	2.3
141.06987	4.1
142.49251	1.9
143.08591	8.6
145.06506	8.4
145.10143	37.6
147.08052	4.4
147.11693	30.8
149.09599	10.9
149.13261	11.4
151.11151	4.7
154.07828	3.9
155.08601	3.6
157.10133	5.9
159.08040	4.1
159.11716	26.7
161.09721	2.7
161.13272	10.6
163.11174	8.0
165.09042	2.9
169.10118	6.4
171.11697	5.0
173.13286	6.9
177.12840	10.6
179.14322	25.7
183.11710	6.4
185.13161	2.8
187.11195	10.5
197.13229	4.6
201.12766	3.0
219.17593	3.0
219.90387	2.2
223.13229	3.0
229.19641	5.0
239.17976	5.9
257.19031	12.7
267.09082	5.0
275.20074	74.2
285.09912	4.9
304.12192	2.4
349.23871	53.0
349.31134	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.6
55.01872	19.1
55.05512	41.6
56.96567	3.9
57.03446	21.3
61.02895	2.6
65.03939	6.3
67.05506	65.6
69.03425	7.1
69.07072	43.3
71.04984	6.0
71.51479	4.2
72.08158	2.0
77.03964	2.6
79.05497	100.0
81.03415	14.2
81.07061	62.9
83.04974	10.1
83.08626	17.7
85.02921	3.1
85.06553	3.5
91.05485	62.7
93.07049	56.4
95.04449	1.9
95.04951	12.9
95.08613	32.6
97.06528	23.7
97.10160	13.4
99.19444	2.3
105.06319	4.1
105.07035	74.5
107.04955	24.5
107.08602	92.7
109.06537	11.5
109.10160	22.0
111.08078	5.1
115.05450	3.3
117.07034	25.7
119.08597	37.9
121.06514	5.2
121.10150	21.5
123.08085	5.3
123.11725	6.6
125.09627	17.4
127.03974	3.5
128.06207	4.0
129.07018	11.9
131.08594	31.2
133.06445	3.1
133.10143	35.2
135.08084	6.2
135.11705	10.1
137.09625	4.7
141.07011	6.4
143.08607	10.2
145.06488	6.3
145.10132	69.4
147.11694	29.8
149.09608	30.3
149.13306	6.0
151.11139	3.3
155.08609	8.2
157.10130	8.4
159.11700	21.6
161.09659	3.2
161.13293	6.6
163.11137	12.0
165.07007	5.4
165.09029	2.9
166.07751	2.3
166.40790	2.9
167.08592	7.4
169.06624	2.5
169.10110	6.9
170.19356	2.3
171.11633	12.2
173.13289	8.9
175.11195	3.4
175.14864	2.5
177.12804	5.5
177.82661	2.2
179.08575	5.9
179.14368	2.6
180.09203	2.8
181.06509	4.6
181.10196	4.4
181.12279	2.8
183.08182	2.3
183.11713	8.3
185.13214	3.9
187.11185	3.1
189.11220	12.7
193.10202	4.9
193.12238	2.8
194.07278	2.4
195.08012	13.0
195.11705	28.5
197.13304	8.0
201.12740	2.4
205.12056	2.2
207.08061	3.9
208.08882	2.2
209.09599	5.5
211.11186	3.3
211.14842	3.0
219.11650	3.7
219.17628	2.5
221.09575	4.0
222.10362	2.5
223.11180	7.2
229.19495	5.2
235.11215	7.4
236.88292	2.0
237.12741	12.9
239.18073	10.2
247.20549	3.5
257.15378	2.6
257.16043	3.3
257.19009	47.6
267.09070	9.8
268.09439	3.4
275.20068	72.1
285.10178	10.9
286.10474	4.5
293.21637	2.3
321.22214	2.7
331.20450	6.5
335.27820	2.2
349.21609	57.5
349.23831	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
55.05503	5.1
56.05031	5.4
57.03437	9.5
58.99595	12.4
59.61396	1.6
67.05470	1.5
69.91412	2.1
69.91805	4.0
72.08164	1.5
76.02234	13.8
76.17980	1.3
79.05503	12.7
81.07063	100.0
84.04510	77.8
84.05032	2.1
85.01134	2.8
86.00660	7.8
86.99049	12.0
87.02702	55.1
89.20303	1.3
98.09713	3.5
99.08081	12.4
105.00102	12.9
113.04189	3.5
113.15549	1.5
122.02746	62.7
130.05011	13.5
130.06833	2.5
132.01164	19.3
142.03264	3.8
156.08459	5.0
157.64174	1.3
159.04779	17.0
174.09525	3.7
188.03802	5.7
188.57396	1.2
199.60153	1.5
202.08984	92.9
203.07387	31.2
203.09276	1.8
210.11348	3.3
210.59750	1.6
220.10063	18.8
234.04372	5.2
249.58029	1.4
251.06929	3.2
286.11060	4.3
331.13196	4.5
332.11578	4.3
349.14285	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	349.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.8
67.03743	10.6
69.03445	7.4
70.50929	5.2
70.51276	12.5
82.99849	10.9
85.02912	15.7
97.02877	8.3
97.04790	10.3
98.97598	7.9
101.00890	79.9
113.00864	49.2
119.01933	60.9
124.60114	5.2
131.01907	69.4
133.03476	11.6
143.01898	31.4
145.03473	10.6
153.01842	13.4
155.01875	32.8
161.02985	16.9
168.99861	53.0
169.06856	35.1
173.02986	27.1
180.99825	13.1
185.03073	14.8
187.00908	33.5
187.04558	7.2
187.07874	26.4
191.04053	5.5
196.99345	39.9
199.00926	17.9
201.02542	6.6
203.03989	9.7
205.08943	6.8
213.02432	7.7
215.00395	99.3
219.03687	10.8
221.05095	13.7
227.00362	7.0
229.01962	62.9
231.03586	11.8
239.06145	5.9
241.01938	17.6
245.05228	11.1
247.00566	6.7
247.03024	100.0
259.02878	23.7
267.57242	6.0
277.03976	5.7
278.54834	5.2
289.04016	16.9
317.03571	14.0
349.08554	47.5
349.13120	17.4
355.28983	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	348.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	6.5
67.46532	2.5
69.03440	5.7
69.07066	4.0
70.06580	4.9
71.09016	6.6
72.08143	2.7
79.05489	9.2
81.03412	5.4
81.07061	14.8
82.11026	2.8
85.02915	39.5
85.57916	2.7
91.05492	15.5
93.07046	33.0
95.08599	5.8
97.02892	8.2
105.07037	62.6
107.08591	5.4
109.06520	5.5
119.24189	2.7
120.08102	4.4
121.06512	3.3
122.02749	2.8
123.11684	12.1
130.06544	10.0
131.08572	3.2
131.31078	2.8
132.08070	7.4
133.10135	100.0
135.11736	2.9
144.08087	3.2
145.05000	5.7
147.11679	3.0
151.11205	5.7
159.09184	11.8
159.72646	3.3
170.06015	6.1
171.47815	2.9
176.07118	5.9
179.48714	2.9
236.42850	3.1
285.68323	2.8
331.12958	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	348.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23176	2.3
55.05504	4.7
61.02924	3.0
63.65651	2.5
67.05506	6.1
67.55323	2.4
69.03426	3.1
70.06594	3.7
71.50358	3.6
72.08149	2.5
79.05476	5.5
81.07052	7.9
85.02913	24.9
85.06573	3.7
91.05486	19.5
91.51290	2.6
93.07056	10.6
95.05000	4.5
97.02886	8.3
97.60175	2.5
104.22193	3.0
105.07034	46.5
107.08613	4.2
107.12366	2.7
121.10102	3.0
123.11700	7.1
127.03989	3.0
131.08632	4.2
133.10146	100.0
145.04958	5.0
151.11180	11.2
151.91847	3.0
174.05554	10.0
184.35675	2.7
185.07120	3.7
186.07436	2.9
186.12299	2.5
256.09671	3.9
284.09192	3.5
304.54471	3.0
314.05267	3.5
346.28601	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	347.1312
Annotation	Nordercitin
Peak:m/z	Relative Intensity
61.73470	0.9
64.71684	1.0
69.03432	1.8
69.52327	4.8
81.03420	2.0
84.08118	1.3
85.02903	4.2
92.06470	0.8
97.02891	1.5
98.97595	1.7
105.07108	0.8
127.03856	1.3
127.80263	0.9
128.95004	0.9
146.24077	0.9
167.06808	2.9
185.04269	4.4
185.07883	15.4
203.05325	6.9
285.13141	6.3
287.50662	0.9
301.12625	25.2
347.13144	100.0
347.16776	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	347.2945
Annotation	5-(Heptadec-12-enyl)resorcinol
Peak:m/z	Relative Intensity
53.03946	1.4
53.37352	0.6
54.16220	0.6
54.46557	0.6
55.05514	16.6
57.07080	11.6
63.63217	0.6
67.05511	5.6
69.07076	20.0
70.32130	0.6
71.08636	6.8
77.35876	0.6
79.05498	4.2
81.07056	7.4
83.08627	10.6
85.06545	5.6
91.05492	1.5
93.07056	1.9
95.04962	2.3
95.08619	6.4
97.10182	9.4
99.08115	4.0
105.04492	0.8
105.07032	2.5
107.04962	100.0
108.05300	0.7
109.10153	2.3
110.85540	0.7
111.11730	3.1
117.06976	0.8
119.08591	1.6
121.06516	4.1
121.10133	0.7
123.04456	1.5
123.11708	1.6
125.13304	1.1
131.08594	0.9
133.06505	9.3
133.10106	0.9
135.08005	1.5
137.13252	0.9
147.08060	18.0
149.09669	0.9
151.14844	1.0
161.09618	2.2
175.11324	0.9
190.46651	0.6
190.48383	0.7
235.24152	0.9
253.25253	1.0
329.28510	1.5
347.22577	1.9
347.29465	34.0
348.29852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.9
57.03426	0.8
57.96544	0.5
61.02915	0.6
63.16701	0.6
68.08434	0.5
69.03431	1.8
70.06589	1.6
71.15929	1.2
72.08163	0.6
73.02913	1.0
81.03409	1.1
82.99836	4.1
84.08150	1.5
85.02908	3.7
85.06586	0.5
86.09713	0.6
97.02890	2.6
98.97604	3.3
99.04458	0.6
101.00880	20.5
108.08114	0.7
109.02895	0.8
110.97566	1.6
113.00877	1.7
113.03497	5.1
116.98624	1.3
119.01923	18.0
127.02436	0.7
127.03931	1.1
128.98592	1.1
130.05034	0.6
130.06483	0.9
131.01920	1.9
133.03523	0.6
136.06210	0.6
137.03079	0.6
138.05540	1.2
143.01901	100.0
144.02037	1.9
145.03508	1.3
147.07698	0.7
153.01857	3.7
155.01875	1.0
157.03532	0.6
158.06032	0.7
158.99655	1.4
161.02959	75.7
162.03050	1.5
163.03841	0.7
165.95959	0.6
169.03456	0.6
169.06093	1.2
170.99660	0.9
173.03033	1.6
182.63788	0.5
184.04622	1.2
185.06723	1.6
185.09236	2.3
197.06636	0.8
199.41435	0.5
203.04015	42.8
204.04198	1.7
209.06619	1.2
215.06599	0.9
219.01767	1.7
221.05051	1.6
227.07675	1.5
237.02800	1.1
240.05693	0.6
245.05115	0.8
269.08548	0.5
283.10150	0.5
287.09769	12.3
305.10800	1.0
347.12265	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	347.074
Annotation	Cassipourine
Peak:m/z	Relative Intensity
70.16074	9.7
70.16483	10.0
81.50706	3.7
81.72350	5.3
93.91500	4.2
98.20922	7.6
101.00864	7.9
129.10150	4.7
143.01904	23.6
150.65341	4.5
161.02966	10.4
171.05043	5.0
171.53325	6.5
203.04012	7.3
225.74123	3.6
225.76363	4.3
268.58344	4.3
347.07306	100.0
347.10864	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	347.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20282	3.6
56.12434	3.6
56.96568	30.1
59.60456	4.0
61.02909	7.7
65.82355	3.8
69.03412	13.5
69.68736	20.3
70.98111	4.5
73.02901	7.8
81.03423	8.6
84.08144	8.9
84.96062	5.2
85.02920	25.3
86.09696	4.8
97.02901	12.5
98.21446	4.8
98.97584	40.7
101.00881	15.5
110.97591	24.8
112.99139	5.1
116.98618	5.8
119.01891	9.1
124.99149	5.3
127.02413	7.7
127.03944	11.0
128.98599	17.1
129.10240	9.4
131.00166	4.3
131.01912	8.3
136.06207	4.0
140.98611	10.4
143.00162	5.9
143.01895	13.3
145.03421	8.7
149.03044	4.3
152.00049	4.6
153.01761	7.3
155.01939	9.4
157.03500	8.5
158.99669	8.4
159.03304	6.7
159.05057	4.2
161.02951	12.5
167.09030	9.7
170.99684	9.3
173.01355	3.5
173.02945	11.7
176.05096	4.8
177.00763	7.9
181.03432	5.3
182.99719	5.6
185.02849	7.9
189.00734	5.7
191.02138	4.4
201.00670	17.3
201.02309	4.7
203.02313	5.4
203.04066	10.1
215.03925	4.3
219.01674	26.9
221.05154	8.7
232.96536	5.6
237.02762	17.0
245.01813	5.2
245.05136	8.4
251.04349	7.7
269.05167	5.4
347.07355	100.0
347.15454	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
54.72488	1.5
55.01857	3.1
57.03424	5.9
60.04524	15.5
61.02930	12.4
67.05493	2.1
69.03438	17.5
69.55257	3.4
69.55663	10.1
70.06593	3.1
71.04984	2.3
73.02917	2.4
79.05502	4.7
81.03417	7.0
81.07064	4.0
85.02911	100.0
86.09707	2.8
91.03961	6.0
91.05472	3.9
93.07051	2.0
97.02896	21.3
99.04469	4.5
103.05460	11.0
107.04915	2.3
109.02887	9.9
116.07065	2.1
121.06513	80.4
121.10146	1.9
127.03928	20.8
131.04951	3.4
145.04967	43.5
149.06024	6.1
163.06029	9.2
167.07092	9.8
183.14235	1.6
260.78955	1.8
313.63885	1.9
328.24860	4.2
342.08121	2.0
346.25879	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	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	36.6
59.04974	6.0
67.05506	96.8
69.07062	19.7
71.04989	9.2
71.51807	9.1
79.05477	23.8
81.07056	47.8
83.04961	11.1
83.08607	15.9
91.05460	19.6
93.07038	30.4
95.04941	7.3
95.08591	27.8
97.06561	8.0
97.10133	17.5
103.44991	6.4
105.07028	19.2
107.04959	8.7
107.08599	34.3
109.10154	66.9
113.48067	6.8
116.98406	7.0
119.08574	15.7
121.10161	17.4
125.09636	12.0
131.08553	6.3
133.10115	14.6
134.67024	6.1
135.08011	6.1
137.09630	8.9
138.37036	6.8
141.03413	5.4
149.09622	9.5
149.13243	8.1
155.10669	21.6
157.10167	7.5
159.11699	13.0
173.11742	100.0
185.44702	6.8
189.11209	18.7
195.13716	12.0
201.02879	6.4
212.19218	6.3
219.30545	6.2
275.20096	35.6
346.23950	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	346.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	7.0
58.06577	0.4
60.42921	0.3
61.52857	0.3
69.07056	0.4
70.06594	16.6
71.08637	3.4
71.25262	0.6
84.08144	1.4
85.10191	2.0
86.09677	0.7
88.07636	15.1
91.05463	0.4
102.09202	1.3
105.21844	0.3
106.08672	2.0
109.10191	0.5
114.09175	6.2
118.08672	1.2
122.19499	0.3
130.08658	0.4
132.10208	21.1
150.11266	16.9
270.27899	1.3
284.29495	1.4
302.30536	5.7
346.33173	100.0
347.33548	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2789
Annotation	5-(8Z,11Z-Heptadecadienyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
53.03944	0.9
55.05518	5.7
56.85997	0.8
57.00121	0.6
57.07072	2.1
61.47603	0.6
61.84232	0.6
67.05510	4.6
69.07076	6.4
69.66308	3.5
75.96120	0.6
77.03941	0.8
79.05495	1.6
81.07058	4.2
83.08614	3.7
91.05489	3.1
93.07051	0.9
95.04980	3.8
95.08612	2.3
97.10167	3.8
103.05486	3.3
104.45895	0.7
105.07056	1.5
107.04974	1.5
107.60670	0.6
109.06529	5.5
109.10174	1.0
111.11745	1.8
111.98153	0.6
115.05467	1.2
117.07018	7.1
119.08606	1.5
121.06524	2.4
123.04436	82.8
131.04961	6.0
131.08580	2.4
133.06512	1.9
135.04401	1.6
137.05986	100.0
137.13304	1.1
138.06332	1.5
145.06494	16.1
145.10143	1.1
147.08060	3.2
147.11685	0.9
149.05992	24.7
149.07137	1.5
151.07541	3.7
159.08095	4.1
161.09619	1.2
163.07555	50.2
164.07909	0.9
165.09140	1.5
173.09624	1.9
175.11227	2.7
177.09125	12.3
187.11201	2.3
191.10666	8.3
193.12225	3.3
201.12743	1.1
205.12288	2.5
219.13811	2.2
233.15427	0.9
243.17593	1.0
247.16974	2.9
257.19055	1.6
261.18503	6.6
271.20612	1.6
275.20105	5.0
289.21631	5.0
303.23062	1.3
327.26785	4.2
345.27893	24.2
346.27942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	4.4
55.01864	4.9
55.05512	19.8
57.07071	8.9
58.67959	2.4
59.05005	3.2
59.59560	2.3
67.05507	23.0
69.03447	2.6
69.07076	74.0
69.38817	20.0
70.46181	2.6
71.05000	3.0
71.08629	4.3
73.06564	2.9
79.05514	16.0
81.06600	5.8
81.07069	100.0
83.08623	20.1
85.06564	14.2
91.05486	7.4
93.07045	29.1
95.04958	3.3
95.08615	78.1
97.06514	6.8
97.10191	5.6
98.21587	4.2
99.08083	10.2
105.07034	8.1
107.08606	27.1
109.10164	34.1
111.08108	12.2
111.11756	14.0
119.08588	7.1
121.10173	19.3
123.11729	37.8
124.66615	2.9
125.09581	3.2
133.10080	4.2
135.11696	12.3
137.09691	2.9
137.13298	20.0
139.11172	4.5
147.11674	3.7
149.13289	27.6
153.12740	10.1
155.14276	4.2
163.14832	7.7
167.14297	9.6
185.26895	2.6
217.19522	3.5
291.26740	6.7
297.27942	5.4
309.27966	9.9
316.38956	2.9
327.28888	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2791
Annotation	5-(8Z,11Z-Heptadecadienyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
53.03945	4.6
55.01881	2.8
55.05519	13.7
57.07055	3.3
57.91065	2.1
65.03934	5.8
67.05508	100.0
68.10478	2.0
69.07058	13.3
69.26913	5.9
69.27328	14.8
76.01569	1.9
76.55910	1.8
78.67449	2.2
79.05494	28.0
81.07062	98.1
83.04987	3.4
83.08610	6.7
91.05482	21.4
93.07048	39.6
95.04958	9.8
95.08612	99.0
97.06525	8.6
97.10173	5.3
98.20746	4.0
98.21428	6.8
105.04551	2.7
105.07040	15.1
107.04954	23.0
107.08589	23.1
109.06532	5.3
109.10162	57.8
111.08065	3.3
117.07026	6.1
119.08606	14.3
121.06496	5.2
121.10160	19.8
123.04395	5.4
123.08086	7.7
123.11699	16.6
129.06999	4.8
129.68532	2.5
131.08545	15.0
133.06499	6.3
133.10136	12.5
135.08044	4.5
135.11687	13.3
137.13252	7.2
139.07539	3.0
143.08554	6.0
145.06483	3.7
145.10164	12.7
147.08031	14.0
147.11713	6.4
149.09624	3.5
149.13231	6.6
151.14789	2.4
157.10120	4.7
159.08075	4.9
159.11696	7.8
161.09576	6.7
161.13284	4.5
162.26785	2.2
163.11229	3.0
163.14793	6.8
171.11642	4.9
173.13272	5.4
175.11180	2.7
175.14827	3.6
179.94414	2.5
185.13170	2.6
199.14888	3.6
213.16339	3.2
227.17915	2.6
253.19461	2.6
267.06396	2.3
271.17014	3.0
289.21854	2.7
308.37564	2.8
309.25800	10.2
327.26807	31.5
331.10275	2.0
345.20688	2.3
345.27890	28.2
345.31818	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99019	8.5
55.01860	10.0
55.05506	25.1
57.03411	18.1
65.58447	9.3
67.05501	56.1
69.03413	9.8
69.07066	100.0
71.04977	22.7
74.18247	9.2
79.05503	55.2
81.03407	32.2
81.07053	63.5
83.04987	10.3
83.08607	11.6
85.08141	10.3
91.05495	47.1
93.07043	53.0
95.04971	51.2
95.08601	47.9
97.06535	77.3
99.08110	14.2
105.07005	44.6
107.04985	15.9
107.08606	24.0
109.06538	13.4
115.07556	40.1
117.07008	34.3
119.08601	24.5
121.10153	9.8
123.07962	10.8
125.09635	11.4
129.07091	14.1
131.08566	29.4
135.08041	19.8
135.11691	16.7
143.08493	10.9
145.10085	26.5
149.01640	11.1
149.13226	13.3
159.08090	12.5
159.11728	13.5
161.09572	15.0
162.12752	10.6
171.11624	11.9
177.12733	17.0
223.13315	19.9
271.32605	10.3
273.18314	10.9
291.19510	12.1
298.94479	10.8
344.12161	11.2
344.22678	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	344.2222
Annotation	Polysignine
Peak:m/z	Relative Intensity
55.05503	1.3
57.03422	0.6
67.05490	1.2
69.07047	1.1
69.41756	4.6
70.31049	0.5
79.05502	5.0
79.42406	0.6
80.05008	1.1
81.07046	2.2
83.04972	0.5
85.52671	0.5
91.05489	4.5
93.07043	3.4
94.06572	0.9
95.08598	2.1
98.21484	1.2
100.52287	0.6
102.24326	0.4
103.05467	10.3
105.07016	2.3
107.04953	6.9
107.08599	2.5
108.08125	15.3
109.08904	1.1
109.10143	0.6
110.09673	1.8
119.08625	0.6
119.32227	0.5
120.08089	4.1
121.08905	0.6
122.09673	8.8
123.10430	2.0
123.11636	0.6
124.11245	0.6
130.05016	0.6
130.06519	3.6
131.04927	4.8
132.08075	1.8
133.10123	0.6
134.09753	0.7
135.11682	2.2
135.51382	0.6
136.11227	4.4
144.06725	0.7
150.12790	25.1
151.13574	7.2
152.14365	4.1
164.14407	0.6
170.09749	0.8
170.11340	0.6
170.15739	0.5
173.74524	0.6
180.10214	5.3
200.14394	1.7
209.13991	0.9
226.15892	1.0
228.10178	1.4
228.12325	1.3
246.14871	2.1
254.19057	3.4
256.13351	0.7
258.14883	0.7
270.14853	1.9
298.17990	0.8
300.19589	100.0
301.20132	2.8
302.21140	3.5
344.22211	65.8
345.22495	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	10.7
55.05505	9.7
57.03441	13.5
64.73746	4.9
67.05497	13.1
69.03429	8.6
69.07053	13.4
70.06602	19.0
71.05005	7.0
71.50604	9.1
72.29982	4.7
73.02924	10.5
79.05497	14.6
81.03429	13.3
81.07056	32.0
83.08632	5.9
85.02896	11.3
85.06075	8.2
85.06554	100.0
91.05481	10.4
93.07034	37.3
95.04996	8.4
95.08611	16.3
97.02922	4.7
97.06008	4.3
97.06538	27.2
105.07027	17.1
107.04951	6.4
107.08604	17.4
109.06522	11.5
109.10155	9.9
111.04466	8.2
111.08070	6.7
112.07603	8.8
113.07937	9.6
119.08598	15.7
121.06543	7.2
121.10167	49.2
123.04488	7.5
123.08074	5.6
123.11728	16.4
131.04930	7.3
131.08543	6.4
133.10146	7.3
135.11668	9.7
137.05994	9.2
137.09639	13.8
139.03975	5.2
140.07121	5.3
141.04112	5.5
145.10150	6.8
149.09598	4.3
149.13274	27.6
151.07585	7.1
157.10100	6.6
159.11729	9.9
163.07611	5.7
165.12753	8.2
177.12791	19.6
182.35770	4.6
191.06969	5.5
195.13809	40.9
207.13925	5.7
213.14967	11.4
219.74527	5.0
267.10214	7.1
291.16046	7.1
299.09262	14.7
313.10791	10.7
327.12296	13.7
345.13641	14.0
345.19855	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	344.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02425	0.8
53.03927	0.7
55.01869	1.3
57.03425	0.9
60.04512	2.1
61.02926	3.9
69.03428	6.9
70.55922	2.1
71.05001	0.8
73.02896	1.6
75.29717	0.9
80.33771	0.7
81.03405	3.3
85.02905	18.2
87.04450	1.0
91.05481	14.7
96.04479	0.8
97.02901	9.0
99.04462	0.9
100.36244	0.9
109.02865	1.5
119.04951	42.3
121.06493	1.5
123.04420	3.9
127.03955	3.6
136.07585	85.6
137.07869	0.7
140.61700	0.8
145.04953	3.7
147.04402	3.1
153.01773	0.8
164.07085	2.2
165.05478	8.5
178.08629	2.9
182.08134	100.0
183.08562	0.8
213.82036	0.8
224.09256	4.3
308.11349	2.9
326.12128	1.8
344.13412	2.5
368.03290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2221
Annotation	Polysignine
Peak:m/z	Relative Intensity
50.29818	0.3
55.05490	1.2
61.28254	0.3
67.05494	0.7
69.07053	0.7
69.86268	0.6
69.86687	0.8
70.06572	0.3
78.70972	0.2
79.05084	0.4
79.05501	5.2
80.04993	0.7
81.03387	0.3
81.07059	1.4
82.06561	0.5
91.05486	3.9
93.05758	0.5
93.06564	0.4
93.07051	3.9
94.06546	0.6
95.07345	0.4
95.08611	1.5
96.08123	0.5
103.04813	0.6
103.05476	11.6
105.06529	0.2
105.07041	3.1
107.04296	0.5
107.04956	5.9
107.08608	2.1
108.08123	15.8
109.08862	0.8
109.10161	0.7
110.09675	1.1
117.07008	0.7
119.08573	0.7
120.08121	3.6
121.06478	0.6
121.08862	0.5
122.09673	10.3
123.10442	2.1
123.11729	0.4
129.07060	0.4
130.06535	3.5
131.04933	5.3
131.08618	0.3
132.08087	3.0
133.10120	0.6
134.09656	0.7
135.11702	2.0
136.11217	4.5
137.13277	0.4
146.09628	0.6
148.11220	0.3
149.05995	0.5
150.12791	23.0
151.13585	7.0
152.14352	4.2
153.12790	0.5
153.15057	0.3
158.09601	0.3
161.13293	0.4
162.12741	0.3
164.14325	0.8
166.12312	0.5
170.09676	0.5
172.11185	0.5
176.07013	0.3
179.14359	0.3
180.01448	0.3
180.10196	5.1
186.12759	0.3
194.11809	0.3
196.36942	0.3
198.12796	0.4
200.14304	1.6
208.13374	0.3
209.14151	0.6
226.15855	0.4
228.10164	1.4
230.11754	0.5
246.11258	0.7
246.14908	1.6
254.19038	3.4
256.13348	1.0
258.14999	0.4
270.14905	2.8
272.20120	0.4
298.18079	1.0
300.19595	100.0
301.19946	3.1
302.21179	3.4
344.22223	59.9
345.22479	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95585	0.5
57.03424	1.3
58.74226	0.5
59.24465	0.5
61.02924	1.6
65.03926	0.6
69.03448	3.4
70.00104	1.6
70.06585	1.8
71.05003	0.6
73.02904	0.9
81.03406	1.6
85.02913	16.7
89.06010	0.6
91.03964	0.8
91.05064	0.5
91.05497	6.1
95.04953	0.9
97.02911	3.2
99.04461	0.6
109.02885	1.5
119.04950	17.6
120.08113	0.7
123.04428	2.9
127.03932	2.4
133.08650	0.8
141.94125	0.6
145.04965	3.8
147.04424	100.0
148.04724	1.3
165.05487	51.0
166.05818	0.8
169.55269	0.5
180.08748	1.4
182.08133	1.1
249.38815	0.5
344.13809	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
56.30130	0.5
57.03424	1.2
59.22514	0.5
61.02922	1.2
65.03923	0.6
69.03429	2.8
69.89819	2.2
71.05019	0.6
73.02899	0.9
79.46049	0.6
80.51155	0.4
81.03415	1.1
85.02910	16.2
91.03957	0.9
91.05469	4.6
97.02908	3.5
98.20791	0.8
99.04458	0.7
109.02885	1.5
111.41525	0.5
119.04953	18.5
123.04433	2.0
127.03931	2.8
136.01913	0.5
145.04964	3.4
147.04416	100.0
148.04732	1.1
164.07141	0.6
165.05487	46.0
166.05899	0.6
180.08707	1.3
197.93066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
53.75516	2.6
55.01880	3.2
55.05526	16.3
57.03441	3.8
57.07063	8.2
59.19875	2.7
61.75107	2.8
67.05515	29.9
69.03420	3.0
69.06733	3.7
69.07072	39.5
69.91182	5.4
69.91578	8.0
71.04988	7.4
71.08638	3.4
71.85873	2.8
74.16795	3.1
79.05510	18.8
81.06593	4.9
81.07065	100.0
83.04958	4.3
83.08623	12.4
84.04501	12.7
85.02942	3.2
85.06531	9.9
91.05479	11.3
93.07061	43.5
95.04961	10.8
95.08617	62.7
97.06516	3.6
97.10173	5.7
97.43289	2.9
98.21456	4.2
99.08128	3.4
105.07034	18.9
107.08595	29.2
109.06512	5.9
109.10162	30.3
111.08062	13.1
111.11716	5.3
119.08588	22.1
121.10182	27.1
123.08080	4.1
123.11708	23.7
127.76269	2.9
130.05000	6.3
133.10144	16.2
135.11696	19.3
137.09639	3.8
137.13278	11.0
145.10143	8.6
147.11674	11.1
149.13254	8.2
151.07478	3.2
151.11220	3.5
153.12703	8.7
159.11681	8.2
161.13237	15.0
163.11180	11.3
163.14809	7.6
169.12289	3.5
170.19156	3.1
173.44386	2.9
177.12833	2.8
181.12270	6.3
214.18063	17.6
253.48396	3.1
262.18011	3.6
280.18973	5.1
289.25342	3.4
297.66034	2.9
307.26294	8.4
326.19595	6.6
343.11829	4.2
343.22443	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	343.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.5
55.05513	19.8
57.07067	9.7
66.74347	2.2
67.05505	22.8
69.03422	4.2
69.07074	100.0
69.24976	8.9
69.25401	12.4
71.04984	4.5
79.05511	13.8
81.06592	4.6
81.07063	82.5
83.04993	4.2
83.08626	14.0
85.06551	19.2
89.29496	2.3
91.05451	5.5
93.07061	25.7
95.04970	7.1
95.08063	3.9
95.08614	47.0
96.44274	2.2
97.06525	9.3
97.10150	5.8
98.20716	4.5
99.08111	11.4
101.06018	3.9
105.07025	10.0
107.08583	20.4
109.06504	5.1
109.10173	26.9
111.08067	14.0
111.11732	24.2
117.91191	2.5
119.08575	9.1
121.10133	16.0
123.11710	24.1
124.59846	2.7
127.11227	6.2
131.78867	2.6
133.10144	4.7
135.11726	15.2
137.09604	3.2
137.13251	11.0
139.11200	18.8
145.10072	3.0
147.11650	4.8
149.13240	5.1
153.12759	24.0
157.12231	4.7
159.11722	3.1
161.13232	5.6
163.11249	4.1
165.12756	8.8
168.99736	2.2
208.54851	2.7
237.18462	3.0
263.23755	2.8
289.25311	8.5
295.26318	4.7
307.26352	39.1
325.27341	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	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.2
55.05509	18.5
57.07066	7.9
59.27396	1.8
59.95864	2.0
67.05508	29.1
69.03419	6.8
69.07076	66.8
71.04982	5.8
71.08363	2.7
71.08689	3.7
73.02914	2.3
78.46725	1.9
79.05495	12.8
81.07061	100.0
83.04976	2.8
83.08645	12.2
85.06551	17.5
91.05478	8.4
93.07049	33.7
95.04973	6.1
95.08615	53.6
97.06519	7.5
97.10164	5.3
99.08099	10.0
101.06030	3.4
105.07044	14.6
107.08607	24.3
109.06503	5.0
109.09479	2.6
109.10169	32.8
110.73566	2.0
111.04452	2.1
111.08086	19.1
111.11694	15.4
113.09728	2.3
119.08588	10.7
119.97659	2.4
121.10155	19.2
123.11716	35.4
125.09583	5.6
125.13246	2.5
127.11209	5.3
133.10162	5.5
135.11711	22.6
137.09697	2.9
137.13261	14.7
139.11171	4.8
145.10101	5.1
147.11690	9.7
149.13271	6.8
149.77841	1.8
151.11118	2.9
153.11519	2.9
153.12749	47.7
155.75914	2.0
159.11711	5.7
161.13252	3.7
163.11188	5.3
163.14868	3.1
165.12733	10.1
171.13788	4.7
175.14778	2.7
177.16310	2.4
181.12344	3.5
189.16464	2.0
201.16438	1.8
277.25134	2.8
277.28085	2.3
289.25250	9.1
295.26190	4.2
307.26324	46.8
325.27386	8.8
352.66324	2.1
366.11429	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	343.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52202	0.8
53.03938	1.1
55.05517	6.4
57.07055	0.9
65.03930	2.4
67.05509	71.1
69.07075	5.8
79.05502	7.6
81.07061	56.5
83.08613	4.1
91.05481	2.5
93.07075	3.7
95.04982	6.3
95.08614	61.7
95.33768	0.7
96.08976	0.8
97.10165	1.9
103.05508	1.7
109.10163	27.4
117.07014	2.9
121.06528	0.8
123.04437	100.0
123.11713	12.1
124.04765	1.0
129.06961	1.1
131.04939	3.9
131.08554	1.3
137.05972	8.2
137.13275	5.8
143.08434	0.9
145.06491	6.2
145.10065	1.1
149.06004	10.1
151.07590	1.5
151.14827	2.7
159.08025	2.1
163.07561	30.1
165.09091	1.3
165.16463	0.9
173.09645	2.1
176.31685	0.8
177.09097	4.2
189.09210	4.3
191.10645	1.6
220.07393	0.8
325.25098	0.9
343.22531	1.6
343.26340	16.4
343.37567	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	343.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	1.1
53.03933	1.4
55.05512	9.9
57.07082	2.1
57.11566	0.8
58.36506	1.0
59.15086	0.9
65.03952	2.4
67.05510	76.0
69.07072	6.8
69.32493	7.8
79.05482	6.9
81.07065	57.7
83.08610	4.7
87.55450	1.0
91.05480	3.1
93.07056	5.0
95.04981	5.0
95.08617	71.7
97.10179	3.4
98.21481	1.7
103.05458	1.9
105.07034	1.7
107.04969	1.0
107.08603	2.1
109.10165	54.3
111.11716	1.2
117.06998	4.9
119.08600	1.2
121.10207	1.3
123.04440	100.0
123.11715	13.9
124.04755	1.2
128.06245	1.3
129.07031	1.4
130.07806	1.3
131.04947	6.1
131.08546	2.8
133.06506	1.0
135.11754	1.1
137.05991	12.0
137.13280	3.1
143.08580	2.7
145.06506	9.1
145.10133	1.9
149.05997	10.9
151.07576	3.0
151.14848	1.1
157.06461	2.0
159.08087	3.5
161.06027	2.7
161.09599	1.1
163.07564	30.8
165.09123	1.9
171.08031	2.1
173.09659	8.1
175.07574	3.4
177.09113	6.5
179.10591	1.4
187.11243	1.1
189.09119	13.9
191.10725	2.8
195.29196	1.0
203.10597	1.5
213.38850	0.9
217.12234	1.0
247.16971	1.0
282.91589	0.9
325.25314	1.9
343.26382	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	343.2634
Annotation	Nostocyclyne A
Peak:m/z	Relative Intensity
51.02379	0.9
53.03939	1.3
55.05524	8.2
57.07055	2.0
65.03937	1.7
67.05507	58.5
68.05843	1.2
69.07067	7.9
69.16051	1.7
69.16462	7.6
77.03912	0.8
79.05501	6.4
80.05832	1.5
81.07060	50.8
83.08613	4.2
91.05494	4.5
93.07030	4.7
94.07384	1.1
95.04970	4.5
95.08612	62.7
97.10163	3.0
101.41972	0.8
103.05454	2.7
105.07047	1.9
107.04948	1.8
107.08601	2.3
108.08886	1.4
109.06512	0.9
109.10163	35.6
110.22320	0.9
111.11707	1.8
115.05466	0.9
117.06996	4.2
121.06557	1.1
121.10148	2.2
123.04435	100.0
123.11713	12.0
124.04702	1.7
129.06966	1.0
131.04951	4.3
131.08569	3.1
133.10089	1.3
135.11697	1.6
136.05222	1.1
137.05980	15.7
137.13251	3.1
143.08531	2.1
145.06493	10.4
145.10135	1.9
147.08023	1.9
149.04839	0.7
149.05983	14.8
151.07561	6.8
151.14891	1.2
157.06480	0.9
159.08046	4.4
161.05977	2.6
163.07552	33.4
165.08998	1.2
171.08054	1.8
173.09642	6.0
175.07588	5.9
177.09097	8.7
179.10683	0.9
187.11209	1.2
189.09113	9.6
191.10686	3.4
205.12242	1.4
213.12737	1.0
234.05948	1.0
247.16991	2.8
261.18542	2.6
275.20038	1.1
325.25308	1.7
334.76688	0.8
343.26328	28.7
344.26852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.42637	2.8
53.03943	6.2
54.00869	3.1
55.01869	9.7
55.05513	21.5
55.49180	3.4
57.03437	9.8
57.07072	10.9
59.05012	6.7
67.05509	40.4
68.14797	2.6
69.03432	9.8
69.07071	8.8
71.05001	25.5
74.63603	3.1
76.43787	2.7
77.18531	3.2
79.05498	34.9
81.03424	5.2
81.07054	34.8
83.04974	7.6
85.06550	5.7
89.92080	3.0
91.05484	40.1
93.07045	82.7
95.04970	68.0
95.08613	92.7
97.06549	17.6
98.20805	8.4
103.05588	4.5
105.07030	97.6
107.04981	6.0
107.08590	63.4
109.06522	22.2
109.10185	4.4
115.05465	11.1
117.07027	36.0
119.08582	29.5
121.06525	21.2
121.10149	18.1
123.08083	34.2
128.06201	5.3
129.07031	10.3
130.07767	22.5
131.08589	13.3
133.06502	10.5
133.09279	3.9
133.10109	19.7
135.08064	37.5
135.11702	13.6
137.05971	6.1
137.09645	8.7
143.08548	16.8
145.10129	85.3
147.08064	19.3
147.11679	3.3
149.09637	6.7
151.07558	52.6
155.08540	3.9
157.10156	10.9
159.11740	12.6
161.09647	8.6
161.13310	3.1
163.11182	72.5
165.09106	18.7
169.10083	6.1
171.11676	8.5
173.09622	3.8
175.11191	5.2
177.09248	5.8
179.07071	8.1
181.10147	3.7
185.09894	3.4
185.13278	6.1
187.11142	7.1
189.12767	11.9
195.11729	4.3
197.13278	8.5
201.12659	3.0
203.14268	20.0
207.10197	3.8
207.13826	7.6
214.28668	3.1
215.14481	4.1
221.15326	39.6
225.12810	3.2
227.14369	3.2
241.19255	3.3
263.16412	7.4
286.19144	5.9
325.21609	12.8
343.22702	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
50.35951	2.7
52.45757	2.5
53.03939	5.9
55.01856	5.9
55.05515	20.3
57.03425	12.5
57.07063	11.8
59.04990	5.5
59.59073	2.7
67.05512	29.8
69.03419	9.2
69.07079	6.1
71.05000	26.8
77.03928	3.4
79.05495	27.7
81.03400	2.9
81.06647	3.5
81.07061	35.0
82.68291	2.9
83.04983	7.9
85.06534	3.9
85.31477	2.6
89.83592	2.6
91.05490	42.1
93.06493	4.7
93.07050	83.3
95.04971	66.6
95.08611	94.8
97.06521	22.3
98.20739	6.8
103.05445	3.0
105.04520	4.3
105.07034	94.0
107.04977	5.4
107.08602	59.3
109.06480	16.1
109.10135	4.1
115.05434	8.2
117.07036	35.6
119.08578	33.2
121.06506	17.5
121.10165	19.0
121.10895	2.9
122.07332	2.9
123.04429	3.0
123.08071	29.8
125.06017	3.7
128.06235	4.6
129.07001	8.2
130.07799	23.0
131.08562	11.6
133.06511	4.2
133.10152	18.2
135.08054	30.8
135.11732	17.7
137.09618	6.6
142.07855	3.2
143.08568	14.2
145.10133	89.6
147.08107	14.3
147.11673	5.7
149.09624	9.1
151.07550	50.9
153.09154	5.4
155.08554	4.1
157.10120	10.4
159.11601	6.9
161.09618	8.9
161.13203	3.8
163.07506	3.2
163.11192	79.3
165.09131	25.4
169.10161	3.6
173.09625	4.6
173.13324	5.8
175.11101	6.1
177.09105	6.1
179.07077	8.3
181.10133	3.6
181.12126	2.6
183.11781	3.7
187.11174	6.6
189.12741	14.8
191.14299	4.2
199.11159	3.4
203.14313	10.4
207.13905	8.3
209.13420	2.9
209.15337	5.5
211.14821	2.8
213.12766	3.0
217.12335	5.2
219.48940	2.9
221.15350	37.6
225.12730	3.1
233.15303	4.2
263.16507	11.1
269.15506	5.0
286.19281	4.1
307.20621	3.6
325.21664	9.7
343.22702	100.0
343.25650	3.9
369.67017	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.85322	1.8
53.03933	5.2
55.01868	5.1
55.05511	17.0
57.03444	8.7
57.07066	10.6
59.04988	6.0
65.03957	2.9
67.05188	2.0
67.05507	29.9
69.03426	9.9
69.07049	5.5
70.96131	4.0
71.04993	22.4
79.05493	27.6
81.03400	4.3
81.07056	30.4
83.04970	6.1
83.08633	4.3
85.06521	4.4
86.95580	1.8
91.05484	35.3
93.07041	76.7
95.04973	64.5
95.08612	82.5
97.06522	19.8
103.05477	4.4
105.04482	2.8
105.07036	81.9
107.04958	4.1
107.08598	55.1
109.06538	18.8
109.10153	4.7
111.08115	2.1
115.05453	7.8
115.22691	1.7
116.06186	1.9
117.07024	34.9
119.04996	2.4
119.06013	1.8
119.08595	30.9
121.06501	19.4
121.10140	16.1
122.07261	2.8
123.08065	28.7
125.05976	4.1
125.09696	2.1
128.06181	2.6
129.06996	8.4
130.07794	15.6
131.08549	7.2
133.06500	8.2
133.10143	16.0
135.08044	25.9
135.11708	16.0
137.09599	6.8
141.07028	2.2
142.07771	2.6
143.08553	13.6
145.06479	4.5
145.10124	96.0
145.55582	1.9
147.08046	17.9
147.11671	8.7
149.09602	6.8
151.07556	49.1
153.09050	2.9
155.08473	2.6
157.10110	12.0
159.08075	2.8
159.11742	9.6
161.09605	8.3
161.13321	4.6
163.07541	2.3
163.11185	72.2
165.09120	19.7
169.10130	6.2
171.11720	7.2
173.09650	6.1
173.13268	4.2
175.11208	5.8
177.09149	5.6
179.07098	2.7
179.08583	2.0
181.10187	3.2
181.12193	4.3
183.11696	4.0
185.13274	3.4
187.11185	4.6
189.12738	13.2
191.10645	2.5
191.14339	2.1
193.10101	2.6
195.11720	3.8
197.13329	5.2
199.11188	2.7
201.12645	3.1
203.14336	8.4
206.69286	2.0
207.10081	2.4
207.11945	2.8
207.13817	7.8
209.15364	6.1
213.12587	2.8
215.14348	3.8
217.12196	2.5
221.13315	1.8
221.15347	32.0
223.14931	2.1
225.16389	1.9
233.15421	5.2
235.16805	1.9
241.15807	2.7
251.14142	2.4
259.16910	3.2
263.16455	6.3
269.15335	4.4
274.19131	2.3
286.19260	6.1
287.16736	2.2
307.20404	1.9
316.93613	1.7
325.21558	13.5
343.22690	100.0
344.23013	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	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.6
55.01854	2.2
55.05502	1.8
57.03437	4.4
57.07067	2.1
61.02925	4.9
65.09877	0.9
67.05508	1.3
69.03098	1.0
69.03434	18.5
69.07063	1.8
69.35088	7.3
70.06567	1.2
71.04972	2.9
73.02913	2.3
79.05490	4.8
81.03430	5.8
81.07056	11.3
83.04977	6.2
84.08119	1.2
85.02910	36.1
86.09695	1.7
86.99043	1.2
87.04468	2.5
91.03932	2.1
91.05458	5.6
93.07043	10.4
95.04977	22.3
95.08597	2.2
96.54891	0.9
97.02885	12.7
97.06562	4.5
98.21582	1.7
99.04438	2.5
103.03984	1.0
105.07044	8.9
107.04937	2.1
107.08608	8.5
109.02855	3.8
109.06498	1.9
116.01683	2.1
117.07011	3.6
119.08580	5.3
121.06491	3.8
121.10149	13.1
123.04350	1.0
125.05999	12.9
127.03935	7.8
129.07063	1.1
130.07761	3.5
133.06487	1.1
133.10127	2.1
135.08078	1.2
135.11662	8.1
137.05975	5.5
142.03214	4.5
143.08592	1.3
145.05005	7.8
145.09058	1.6
145.10133	17.7
147.08057	2.4
161.09630	1.7
162.02275	1.5
163.11188	100.0
164.11525	1.2
165.09143	1.0
175.07524	1.1
175.11243	1.6
181.12238	18.5
183.10266	1.0
183.39796	1.1
184.07863	0.9
193.12224	1.2
205.12241	2.5
223.13211	2.2
259.23529	1.0
264.79034	1.1
269.48047	1.2
289.14590	1.2
315.42435	0.9
343.04517	1.7
343.13959	5.1
343.17331	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
69.26340	4.7
69.26772	4.9
70.54286	1.3
78.56504	1.0
79.05503	2.7
81.07071	1.7
85.02920	1.2
91.05485	6.5
93.07076	1.5
94.04197	3.0
95.08559	1.2
103.05486	8.1
104.06265	2.1
105.07046	2.1
107.04987	1.6
115.05482	5.9
117.07014	2.9
119.05045	1.2
119.08613	4.4
122.03658	10.2
128.06265	1.5
129.06990	2.5
131.04942	9.7
132.05710	7.4
137.05988	100.0
141.06987	2.9
143.04875	1.5
144.00951	1.1
145.06555	1.1
147.08067	7.9
148.03961	1.2
150.06610	1.1
153.82008	1.1
157.06551	2.6
159.08080	1.3
160.05185	5.4
161.05974	2.5
163.07532	13.5
163.11205	1.1
169.06473	1.6
175.07562	69.9
181.12407	1.2
186.06755	3.1
187.07584	3.9
189.09109	1.5
201.09128	2.6
205.10132	1.4
207.08051	1.3
293.11752	2.1
299.12961	1.3
301.11841	1.2
325.14230	7.6
341.76746	1.2
343.04504	1.6
343.17407	1.4
368.42004	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31398	6.0
54.92771	6.4
55.05500	26.1
55.72579	6.2
62.64383	6.3
67.05505	42.9
69.07061	26.6
69.81887	29.9
79.05495	35.0
80.05782	7.0
81.07071	52.0
81.21490	7.1
91.05475	26.2
93.07062	45.5
94.07372	10.4
95.04948	10.0
95.08601	27.1
97.06497	9.6
98.09687	9.6
102.09717	7.2
105.07045	32.3
106.07383	10.7
107.08581	30.8
108.08917	8.1
109.06479	8.6
119.08576	22.9
121.10126	16.1
123.04423	28.7
131.08562	13.5
133.10172	12.7
135.11682	23.4
137.05978	26.5
138.06303	10.8
143.08640	9.7
145.10075	9.0
146.06850	9.7
147.11668	10.9
148.55829	7.5
157.10176	11.1
159.08043	10.3
160.08412	9.9
163.07500	10.7
171.08040	24.0
172.08380	26.5
174.06293	6.8
181.12231	9.1
187.07628	41.4
188.07878	34.6
189.09047	7.2
198.09938	8.0
211.11078	8.4
212.11563	14.4
242.73582	9.2
275.20096	11.0
315.14157	6.8
323.63742	6.9
324.24207	14.0
342.25067	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	342.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01883	1.6
55.05513	11.3
55.43692	1.4
57.03446	2.2
57.07080	13.5
61.02907	2.2
69.03422	6.1
70.06593	6.5
71.27371	1.7
75.91152	1.4
79.05481	3.1
81.03427	2.8
81.07087	3.6
81.62728	1.5
83.08617	4.7
85.02903	16.7
86.09707	2.3
89.06037	34.5
91.05495	1.8
93.07034	3.2
97.02890	6.7
97.06528	1.7
99.04469	2.2
101.09666	16.7
107.07073	48.7
127.03909	2.7
128.76715	1.5
137.06026	2.1
145.04982	2.2
163.13304	100.0
183.14890	2.0
198.99901	1.6
234.06584	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.0
55.01862	4.8
55.05512	60.2
55.14654	2.7
56.36155	3.3
59.05006	4.9
59.69068	2.7
63.44164	2.7
67.05515	23.7
69.03442	4.4
69.07083	24.5
71.05003	3.7
79.05496	43.7
81.07068	23.4
83.08630	34.3
85.06545	3.7
91.05494	21.4
92.05786	4.0
93.07039	32.5
94.07354	6.6
95.04970	7.8
95.08625	17.0
97.06545	4.4
97.10173	81.6
98.20710	7.0
105.07052	22.0
106.07382	5.3
107.04945	4.0
107.08601	100.0
108.08907	4.9
109.06516	5.9
109.10152	6.6
111.08073	4.1
117.07019	6.1
119.06097	4.1
119.08596	10.5
119.30096	3.1
121.10147	12.1
123.04446	7.3
125.09643	83.2
127.71196	3.5
129.07025	4.0
131.08597	6.7
133.10127	10.6
135.08060	20.6
135.11684	5.0
137.05960	9.8
143.08583	3.7
145.10138	15.7
147.11722	4.7
149.09616	5.7
151.07539	5.7
153.09109	12.9
157.12160	6.3
159.08040	3.7
159.11748	4.2
163.11249	5.4
172.08426	4.2
175.07634	4.4
181.12222	5.6
187.07538	7.9
188.07875	11.7
197.13237	3.3
203.12793	91.8
212.11505	4.5
257.18976	11.2
275.20053	37.5
289.21713	13.0
307.22729	9.1
313.54095	3.0
324.24161	5.7
342.25140	26.9
343.22653	7.5
361.51193	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	342.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03366	0.6
69.50420	1.5
69.50829	2.5
85.02852	0.6
95.61650	0.6
98.97492	0.6
126.21449	0.6
130.21198	0.6
172.08168	1.5
180.06320	100.0
181.06647	0.9
182.05489	0.5
191.54260	0.6
226.09406	0.8
282.08276	0.6
342.11865	24.3
343.12354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87892	1.1
55.01873	2.6
57.03423	4.7
66.91602	1.1
69.03416	3.8
71.04979	2.7
71.08617	1.8
71.30595	2.4
76.27629	1.2
78.81972	1.1
79.05484	2.4
81.03403	1.9
81.07043	4.4
85.02912	12.5
87.62946	1.2
96.94835	1.1
97.02854	4.3
99.08093	13.7
109.02846	1.8
109.06539	2.8
117.09135	100.0
118.09483	1.3
127.07545	3.5
138.05470	2.1
145.04980	2.4
152.07118	1.3
153.01837	1.4
154.02113	1.5
162.05466	2.7
163.03902	4.9
163.09663	11.6
180.06419	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	341.3205
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
53.03944	2.7
55.05517	19.9
57.03446	9.1
57.07080	37.3
65.03925	3.2
67.05507	31.3
69.07073	43.3
70.75901	2.3
70.76247	3.8
71.08634	21.2
73.04765	1.9
79.05491	19.1
81.07059	100.0
83.08625	21.0
85.10185	11.2
89.06020	2.1
91.05447	13.8
93.07057	24.8
95.04946	3.2
95.08609	80.3
97.10160	12.3
99.56658	1.8
105.07043	25.5
107.08600	39.2
109.10159	45.7
111.11755	5.2
113.09658	1.8
118.39812	1.8
119.08602	25.4
121.10147	34.6
123.04429	4.0
123.11704	28.9
127.65913	1.8
128.08195	2.3
131.08569	3.8
133.10150	18.6
135.11697	22.6
137.13202	13.5
145.10126	11.0
147.11685	19.0
149.13284	22.2
159.11691	9.8
161.13295	18.7
163.14867	12.2
166.27100	1.7
173.13278	7.3
175.14812	10.0
177.16432	7.6
187.14838	4.3
189.16443	13.3
191.17923	7.8
201.16405	4.1
203.18013	16.3
205.19635	2.5
215.18024	4.5
217.19556	16.2
221.50124	2.0
229.19464	3.3
231.21086	9.6
245.22646	2.6
257.22449	2.4
259.24115	2.8
271.24142	2.0
285.25690	4.3
341.09409	2.5
341.26770	9.4
341.31662	74.0
341.36081	6.0
341.39441	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	341.3052
Annotation	Glycidyl stearate
Peak:m/z	Relative Intensity
53.23067	0.8
55.05515	10.4
57.03443	17.3
57.07080	56.2
61.63363	1.0
67.05508	14.3
69.06726	1.2
69.07076	12.9
71.04982	1.4
71.08637	40.5
79.05495	3.8
81.07060	18.2
83.08620	10.7
85.10191	22.3
89.06029	2.5
91.05511	2.1
93.07047	5.0
95.08608	22.3
97.06534	0.9
97.10179	9.4
98.20565	0.9
103.07592	2.2
105.07027	3.4
107.08605	3.0
109.10153	11.6
111.11729	2.9
111.82069	1.2
119.08619	1.5
121.10174	1.6
123.04421	5.0
123.11730	5.7
133.10152	1.2
135.11674	2.1
137.13271	2.4
149.13213	1.8
159.79922	0.9
163.07521	1.2
175.07573	1.1
229.24153	0.9
241.51657	0.9
267.26996	2.3
270.57770	0.8
285.27908	4.7
341.24728	3.7
341.30530	100.0
342.30893	2.1
346.96368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
55.05523	29.5
57.03445	6.3
57.07077	18.3
58.12396	3.9
63.62214	3.3
67.05502	34.2
67.08694	3.3
67.40871	2.9
69.07075	33.4
71.04984	12.4
71.08620	13.2
79.05504	41.7
79.68748	3.5
81.07062	100.0
83.08607	12.8
85.06535	8.1
91.05476	24.8
93.07050	94.2
95.04984	6.2
95.08615	80.3
97.10175	11.1
105.07033	56.4
107.08596	73.1
109.06516	16.1
109.10163	45.8
111.08076	13.7
113.09679	4.0
113.80267	3.5
117.07011	10.0
119.08585	85.4
119.09374	7.4
121.10157	58.0
123.04422	26.1
123.08012	4.8
123.11699	21.2
125.59846	3.5
129.07013	5.8
131.04984	4.5
131.08565	24.7
133.06502	5.0
133.10143	32.5
135.11707	39.2
137.05986	10.0
137.09642	7.9
137.13231	8.1
143.08554	10.3
145.06525	4.4
145.10156	30.3
147.11717	22.2
149.05933	5.6
149.13268	43.6
151.11224	6.4
157.10146	14.7
159.08104	4.4
159.11716	41.4
161.05975	7.5
161.13280	26.5
163.07489	8.4
163.14842	35.0
171.11754	14.0
173.13312	28.1
175.07632	5.0
175.14818	13.9
178.98811	3.4
183.11600	6.4
185.13322	9.7
187.14771	25.4
189.09235	4.6
189.16339	12.9
191.14423	3.8
191.17966	14.3
197.13348	5.8
199.14807	6.2
201.16408	16.9
203.18042	6.9
211.14928	6.1
213.16354	16.0
215.17960	18.6
217.15950	4.0
225.16426	4.5
227.17937	16.9
229.19519	10.6
239.18054	4.6
253.19481	7.5
257.22690	8.3
267.21124	10.0
271.20547	4.4
281.22571	7.0
283.24200	52.6
297.25638	3.8
323.23831	9.8
323.27341	59.4
341.24689	46.7
341.28467	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.05516	13.8
57.07061	4.7
65.03924	2.7
67.05509	16.1
69.03421	1.8
69.07079	10.1
71.28052	2.5
71.28369	1.7
78.93456	1.8
79.05497	24.4
81.07062	31.1
83.08608	3.6
91.05479	20.1
93.07053	30.6
95.04970	6.5
95.08624	22.2
96.62919	1.4
97.10172	2.5
103.05469	2.5
105.07037	33.9
107.08589	27.9
109.06535	3.8
109.10144	8.5
115.05473	2.3
117.07019	4.8
119.04949	1.7
119.08615	11.6
121.06526	4.2
121.10168	14.0
123.03577	2.8
123.04430	38.4
127.69880	1.5
128.06219	6.6
129.07002	6.2
131.04910	2.5
131.08592	11.5
133.06502	4.0
133.10101	3.4
135.11708	11.8
137.05992	39.4
137.13229	1.7
141.06967	2.6
143.08566	14.2
144.05711	3.4
145.06487	7.5
145.10104	2.1
147.08087	2.5
149.05983	5.9
149.13251	4.0
151.07539	8.5
155.08557	3.6
157.06476	7.0
159.08054	18.9
161.06021	9.7
163.07562	16.7
163.14745	1.6
164.24434	1.6
165.09081	1.8
167.64984	1.7
169.10161	3.9
171.08067	46.1
173.05977	10.2
175.07582	15.1
177.09111	10.4
179.08536	2.0
183.08066	3.6
183.11742	3.1
185.09610	5.3
187.07555	86.9
189.09178	8.0
191.10695	1.8
193.10121	3.2
197.09622	12.4
199.11206	2.5
201.09090	6.0
203.10651	4.9
211.11208	23.9
215.10666	5.6
217.12279	2.0
225.12842	3.9
228.99232	1.5
229.12212	2.7
243.14116	1.8
285.18390	1.8
301.80771	1.6
323.23654	16.4
334.53036	1.7
341.24759	100.0
342.25079	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	341.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
53.80816	4.4
55.01860	5.9
55.05513	26.3
57.03426	7.0
57.07062	16.8
59.04996	8.1
65.03926	5.3
67.05505	49.2
69.03426	23.4
69.07064	62.4
70.03741	8.7
70.04143	8.4
71.04981	19.1
71.08636	5.0
72.53033	4.1
79.05492	38.7
81.03422	10.3
81.07056	100.0
83.04983	10.0
83.08617	14.3
85.02910	8.0
85.06541	16.8
91.05481	28.9
93.07040	71.8
95.04964	14.7
95.08606	83.2
97.02889	7.0
97.06524	21.5
97.10184	4.8
97.64001	4.9
98.20864	6.1
103.05463	6.0
105.07031	33.0
107.08611	55.8
109.06509	14.4
109.10144	52.1
111.08066	20.3
111.11716	7.6
115.05483	4.1
117.07026	8.8
118.40674	5.5
119.08594	20.7
121.06503	10.4
121.10146	66.0
123.04454	5.7
123.08077	9.8
123.11723	50.6
124.07305	5.8
125.09607	8.7
127.03913	6.3
128.06261	5.2
129.06987	8.8
131.08545	10.1
133.06505	8.3
133.10127	20.4
135.08110	6.2
135.11693	40.3
137.06010	28.4
137.09581	4.5
137.13284	6.6
139.07628	5.2
139.11206	14.8
143.08563	9.0
145.10138	14.3
147.11664	12.9
149.13283	10.7
151.07582	7.1
151.11194	11.4
153.12735	10.9
157.06554	6.1
157.10168	7.6
159.11691	13.5
161.05988	7.5
161.09601	6.8
161.13260	11.2
163.07541	7.7
163.11160	12.6
163.14902	5.0
165.12811	9.0
167.07010	6.9
169.12215	11.5
173.13301	6.2
175.07507	5.8
177.09207	6.4
177.16425	5.6
181.12213	13.8
187.07562	9.1
188.03514	7.0
199.14919	7.2
219.08179	6.3
227.06953	4.9
269.79996	5.5
278.61844	5.1
305.17578	6.4
305.24619	11.3
309.11212	5.7
323.25851	15.7
341.06516	6.8
341.10297	9.7
341.14542	14.3
341.19901	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	341.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50874	2.1
53.03933	3.5
53.31578	1.6
55.01851	1.8
55.05515	16.9
57.07066	4.0
65.73345	1.7
67.05510	22.7
68.46483	1.6
69.07091	11.4
70.58728	2.1
79.05067	3.3
79.05498	36.8
81.07063	31.3
83.08622	5.2
91.05482	25.2
93.07053	45.0
93.73602	1.9
95.04952	5.9
95.08619	25.7
97.10201	5.7
105.07040	39.3
107.04966	3.0
107.08596	34.2
109.06540	5.7
109.10181	7.5
115.05423	2.4
117.07040	4.4
118.75804	1.8
119.08577	10.9
121.06525	2.8
121.10165	15.8
123.04442	46.3
128.06223	10.1
129.07016	7.0
131.04947	2.9
131.08601	12.1
133.06516	3.8
133.10153	2.2
135.08083	2.9
135.11700	14.0
137.05991	43.5
141.07028	5.1
141.09163	2.1
143.05005	2.1
143.08556	12.3
144.05684	2.4
145.06483	8.2
147.08127	2.8
149.05978	10.5
149.09625	2.3
149.13261	4.4
151.07571	11.2
155.05957	2.1
155.08572	4.6
157.06496	6.8
157.10165	2.3
159.08066	21.5
161.06035	9.9
161.09595	2.4
163.07541	20.2
165.09062	2.8
169.10101	2.8
171.08076	42.9
173.06024	8.9
173.09706	2.2
174.06783	2.4
175.07584	16.9
177.09134	9.6
180.84662	1.8
181.10219	2.7
183.08058	3.3
185.09642	7.1
187.07561	82.8
189.09154	11.7
191.10730	4.1
193.10136	6.6
196.08710	2.2
197.09602	16.4
197.13373	2.8
201.00496	1.9
201.09229	3.4
203.10695	6.0
203.12750	3.1
211.11206	26.7
215.10765	5.1
225.12831	3.1
229.07938	2.7
239.14400	2.2
323.23615	18.7
341.24765	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	341.2476
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.02379	2.0
53.03938	5.1
55.05515	8.0
55.68675	1.0
55.98057	1.2
57.07078	1.3
65.03918	3.5
67.05177	2.0
67.05509	23.3
69.07052	5.4
71.04998	1.4
73.10490	1.0
73.34796	1.0
77.03956	1.0
79.05498	65.3
81.07063	29.5
83.08619	2.4
91.05487	25.1
93.07049	62.4
95.04986	12.2
95.08620	16.9
97.10181	1.5
98.21638	2.3
103.05451	2.9
105.04502	2.7
105.06398	1.8
105.07040	21.2
107.04955	4.2
107.08601	61.7
109.06481	2.5
109.10163	8.5
115.05475	1.7
117.07022	3.2
119.06081	1.8
119.08598	6.2
121.06514	2.8
121.10153	32.2
123.04440	100.0
123.11673	3.2
128.06221	1.2
129.07057	2.5
131.04906	3.1
131.08546	3.2
133.06531	2.3
133.10152	3.1
135.11697	16.7
137.06013	6.4
143.08527	1.6
145.06516	5.8
145.10100	1.4
147.08075	2.9
149.05984	8.3
149.13309	6.5
155.08612	1.9
157.06471	2.6
157.10121	1.4
159.08046	4.0
161.05957	4.0
163.07559	14.0
163.14864	2.4
164.39175	1.2
171.08041	4.6
173.05954	1.3
173.09581	1.8
175.07530	6.8
177.09148	3.2
185.09639	2.2
187.07607	5.8
189.09163	3.1
191.10828	1.2
197.09702	1.5
201.09116	2.5
203.10635	3.0
211.11250	2.4
217.12289	1.7
323.23685	4.1
341.24756	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.05517	5.5
57.07064	2.1
65.03941	2.7
67.05508	25.5
69.07069	4.8
77.03929	1.6
79.05499	59.5
81.07063	22.3
83.08624	2.2
87.77768	1.0
89.37775	1.0
91.05488	24.1
93.07050	67.8
95.04973	12.1
95.08614	14.2
98.20765	3.9
103.05435	1.4
105.04533	2.0
105.07048	12.6
107.04940	1.3
107.08599	47.2
109.06555	1.2
109.10165	9.3
115.05470	1.0
117.07015	3.0
118.95431	1.0
119.04968	1.0
119.06033	1.7
119.08577	4.2
121.09332	1.7
121.10153	24.9
123.04437	100.0
123.11684	1.9
128.41324	1.0
131.04950	3.1
133.06551	1.1
133.10144	3.4
135.11693	29.0
137.05992	4.1
137.13223	1.1
139.76588	0.9
145.06499	4.0
149.05991	7.3
149.13266	11.6
157.06461	2.1
161.05989	1.1
163.07550	15.1
163.14824	3.9
171.08075	1.2
175.07550	1.8
177.09048	1.7
177.16434	1.8
189.09076	2.7
201.09088	1.7
203.10713	3.9
341.24780	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.4
53.03956	6.6
55.05503	4.8
65.03925	3.5
67.05515	18.1
67.60487	1.2
69.07064	2.8
71.06972	1.2
74.05163	1.2
77.03915	1.8
79.05499	69.1
81.07061	23.4
83.08614	1.7
91.05489	25.0
93.07050	71.0
95.04974	12.6
95.08630	9.8
103.05466	2.3
105.07033	14.5
107.08602	66.1
108.82516	1.4
109.06552	1.1
109.10168	8.0
117.07011	1.4
119.06032	1.4
119.08573	4.7
121.10155	27.6
122.15133	1.2
123.04442	100.0
123.11669	1.4
131.04898	2.8
133.10126	2.9
135.11710	14.8
137.05972	4.1
145.06483	3.6
149.06021	9.2
149.13287	9.2
151.07596	1.6
161.06050	2.6
161.13118	1.2
163.07576	15.5
163.14778	1.2
177.09032	2.7
189.09123	3.5
203.10606	2.1
304.79288	1.2
341.24738	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	341.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.6
55.01874	9.9
55.05514	27.6
57.03441	8.2
59.05007	6.5
67.05511	72.4
69.03433	54.9
69.07066	33.4
70.63007	10.3
70.63339	5.7
71.01363	6.1
71.04994	19.1
72.08160	4.6
72.15405	4.1
79.05502	63.9
81.03426	80.2
81.07064	100.0
83.04987	43.2
83.08640	22.7
85.02906	23.6
85.06553	9.2
86.09677	4.6
91.05480	60.0
93.07050	54.4
95.04985	21.0
95.08616	87.5
97.02895	21.7
97.06548	21.6
97.10175	11.5
99.04461	10.6
99.08111	8.4
101.02293	4.1
103.05458	10.5
105.07039	61.3
107.04961	17.8
107.08610	35.8
108.19225	4.5
109.02904	11.6
109.06522	26.8
109.10178	24.7
111.08087	11.3
115.03879	6.0
115.05424	9.9
117.07024	17.3
119.08595	47.9
119.32476	4.2
121.06510	14.5
121.10135	16.6
123.04452	11.4
123.08064	16.4
123.11738	5.8
125.05981	6.0
125.09679	6.1
127.03903	21.0
128.06288	7.0
129.07045	21.8
130.29517	4.5
131.08572	25.4
133.06493	16.3
133.10144	25.5
135.08076	18.6
135.11682	11.0
137.06009	33.9
137.09618	9.0
137.13298	7.0
143.08549	16.3
145.06500	10.1
145.10114	19.2
147.08044	8.5
147.11688	13.2
149.06012	8.6
149.09544	10.0
149.13298	8.8
151.07533	39.5
157.10091	7.3
159.08095	11.6
159.11754	10.9
161.05981	10.9
161.09624	4.7
161.13242	21.2
167.07042	10.1
169.10135	7.9
171.11638	8.4
173.11758	7.4
173.13185	10.3
175.07570	8.3
177.05522	5.6
177.09004	4.8
179.14328	15.2
187.07516	16.0
189.05447	13.4
189.09077	5.9
189.12845	9.2
191.14265	5.7
195.13789	4.8
197.13019	7.7
201.12781	6.6
203.08632	4.9
207.13924	6.8
209.15321	9.4
225.12767	5.3
225.14784	10.7
237.14900	16.4
245.15439	4.9
251.16432	12.1
263.16470	11.3
277.17972	9.3
281.11646	6.7
287.16516	22.3
291.10394	4.7
293.17490	9.7
305.17520	44.9
309.11295	13.4
323.18488	55.8
341.10309	12.5
341.13824	13.4
341.19724	42.1
341.24777	11.2
347.83435	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	341.2475
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.02375	1.6
53.03941	5.2
55.05517	8.1
57.03434	6.1
57.07080	16.6
59.04996	1.6
65.03928	3.2
67.05505	21.1
69.07083	8.8
69.23292	10.9
69.23703	2.3
70.07260	1.3
71.08636	12.4
77.03951	1.6
79.05499	76.5
81.07059	32.9
83.08622	6.0
85.10179	5.1
91.05482	26.9
93.07050	79.6
95.04983	11.2
95.08613	20.8
96.79269	1.3
97.10172	3.8
103.05496	1.9
105.04528	2.4
105.07036	19.2
107.08598	73.9
109.06520	2.2
109.10166	11.7
111.11788	1.3
117.07005	3.3
119.08591	6.0
121.10154	36.0
123.04433	100.0
123.11676	3.2
129.07088	2.0
131.04915	2.3
131.08583	2.5
133.06483	1.3
133.10138	4.9
135.11696	17.9
137.05986	4.5
137.13310	1.8
143.08499	2.6
145.06499	3.4
149.05936	7.2
149.13246	7.4
152.36826	1.2
157.10083	1.4
161.05972	1.9
161.13361	1.4
163.07545	15.4
163.14839	3.2
173.13182	1.5
175.07498	2.3
177.09259	1.9
189.09052	2.6
203.10670	1.9
223.12730	1.3
341.24734	29.4
341.30533	25.3
341.39804	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	341.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56417	1.3
54.84444	1.4
55.01861	1.7
55.05512	2.8
60.93488	1.5
63.47458	1.5
67.05505	5.4
69.03408	4.7
69.07063	4.9
70.06606	1.6
70.61886	2.8
70.62246	3.6
71.05003	2.2
79.05493	4.0
81.03408	1.8
81.07057	16.8
83.08623	1.5
85.06536	3.6
91.05471	7.5
93.07055	9.2
94.04182	4.1
95.04953	1.6
95.08624	11.3
97.02934	2.1
99.08125	3.0
105.07044	9.1
107.04944	1.7
107.08603	6.8
109.06519	5.9
109.10172	7.5
111.08053	4.6
115.05441	4.5
117.07009	3.6
118.04206	1.4
119.04897	2.2
119.08567	8.0
121.10170	4.9
122.03631	7.0
123.11713	5.2
125.09629	4.6
128.06255	3.8
129.07021	3.3
131.04907	1.8
131.08574	2.0
132.05690	3.0
133.06465	3.7
133.10165	3.6
135.11694	2.2
137.05992	100.0
137.09612	2.2
137.13373	1.5
139.11147	2.5
145.10153	2.0
147.04402	2.5
147.08049	6.1
149.05974	2.8
149.09618	1.8
151.11224	2.1
153.01852	14.1
159.00111	1.6
161.04822	1.5
161.05910	9.2
167.65366	1.4
172.05214	1.9
175.07565	39.6
187.07516	8.8
189.09097	2.8
190.07774	3.3
191.08653	7.2
191.10495	1.5
193.36336	1.8
199.07593	8.8
202.07771	4.9
203.08611	5.8
218.07362	2.5
219.08101	10.5
220.08754	2.6
231.08063	3.8
247.07539	4.8
248.08334	5.1
251.10693	10.4
259.07547	4.7
263.10709	3.8
264.07932	1.8
276.07770	2.5
279.10114	10.9
291.10159	8.1
292.10968	3.7
295.13358	1.6
305.24808	4.1
311.12759	9.2
317.62802	1.7
323.12885	4.2
341.13889	5.7
343.01340	2.8
361.02356	13.6
362.02661	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	341.0871
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03942	0.4
55.01870	0.5
61.02925	0.4
67.05517	0.2
68.99797	0.2
69.03436	1.5
70.06598	0.2
70.85080	0.5
73.04744	0.2
79.05502	0.2
81.03429	1.1
81.07069	0.3
84.08152	0.3
85.02908	3.5
89.03913	0.3
91.05832	0.4
93.07014	0.3
95.04959	0.7
97.02883	1.2
99.04458	0.2
105.03389	0.4
108.08154	0.3
109.02866	0.5
109.06510	0.2
111.08104	0.2
115.05462	0.2
117.03372	0.4
121.06445	0.3
123.04436	9.1
127.03922	0.6
131.04913	0.3
133.02864	7.5
135.04388	1.6
137.05991	0.9
145.04988	0.4
151.03922	3.2
151.05106	0.3
153.01834	0.5
157.06091	0.2
179.03401	100.0
180.03731	0.9
182.47183	0.2
187.07529	0.5
297.15326	0.8
341.08667	0.8
341.12341	0.4
341.17758	1.0
359.02914	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.087
Annotation	4-O-beta-D-glucosyl-esculetin
Peak:m/z	Relative Intensity
53.03952	0.5
55.01874	0.5
56.18758	0.3
57.03425	0.6
57.59925	0.3
61.02934	0.4
67.01826	0.5
68.99776	1.0
69.03438	3.5
69.03802	0.5
69.96320	0.3
71.01373	0.3
71.04981	0.9
71.51227	0.5
74.66448	0.3
81.03420	2.8
84.08148	0.5
85.02895	0.7
91.01840	0.3
91.05451	0.4
99.04465	1.0
111.04466	0.4
117.05517	0.4
119.04932	0.4
129.31296	0.3
133.02921	0.4
133.06508	0.3
133.07631	1.0
134.06009	0.5
137.06020	1.5
147.04501	0.5
149.80971	0.3
150.02751	0.3
153.01860	0.4
155.03404	0.8
161.02347	0.5
161.07143	1.1
163.08701	1.2
174.06708	0.3
179.03407	100.0
180.03802	0.8
187.07547	0.9
189.06676	0.9
191.08206	0.9
203.06927	0.4
207.07677	16.0
217.08615	0.7
219.08040	0.3
231.08080	0.6
243.11333	0.4
247.07484	0.3
249.08896	0.4
279.10275	0.5
305.11334	0.5
323.12396	6.9
341.13641	4.8
359.03088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.2
55.01871	1.1
55.05510	5.7
57.03443	1.0
57.07067	1.4
58.10744	0.7
62.06090	100.0
67.05502	12.8
69.07079	4.7
70.07425	0.7
70.70896	0.8
71.04989	0.8
71.08633	21.7
73.15556	0.8
79.05505	5.9
81.07054	17.0
83.04953	0.8
83.08624	3.5
85.10174	0.8
88.92196	0.7
91.05471	3.4
93.07053	6.3
95.08603	13.0
97.06518	1.5
97.10156	1.1
98.06068	2.3
99.08089	13.9
105.07052	5.2
107.08618	4.3
109.10166	4.6
111.08076	1.3
114.18942	0.8
117.07027	1.2
119.08578	3.0
121.10143	3.0
123.04453	1.1
123.11741	1.7
131.08568	1.8
133.10167	1.1
135.11694	2.5
137.13269	1.1
145.10133	1.2
147.11694	6.6
149.13269	0.9
150.06396	0.8
153.12778	1.3
160.60475	0.8
161.13284	0.9
163.11118	1.3
163.14851	2.3
165.12712	2.2
173.13254	1.0
181.15932	1.3
218.79512	0.8
224.20090	6.4
226.18039	0.8
242.21127	8.1
243.21097	3.0
261.22101	2.3
279.23132	3.4
306.14990	0.7
322.27402	72.6
323.25525	5.4
331.93347	0.8
340.23712	2.6
340.28455	21.6
352.01141	1.0
355.42358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01865	2.7
55.05521	5.2
57.03432	0.8
61.32683	0.8
64.97284	0.9
67.05501	6.7
69.03426	2.1
69.07076	11.4
71.04997	12.1
71.40549	1.1
72.08170	1.0
77.03918	0.9
79.05496	13.5
81.03406	2.6
81.07055	5.7
81.50436	0.8
82.06564	1.1
83.04991	4.2
83.08616	1.4
84.04498	1.7
84.08131	1.4
85.02901	1.2
85.06550	6.5
86.09711	100.0
89.69426	0.8
91.05477	11.9
93.07053	12.5
95.04961	4.0
95.08600	3.5
97.06519	2.1
99.08067	2.0
100.11243	7.0
103.05460	2.3
103.70705	0.9
105.07033	14.9
106.07358	1.3
107.04952	4.4
107.08601	19.4
109.02941	1.1
109.06509	3.5
109.10144	1.2
111.04464	6.3
117.07005	5.2
118.03726	1.2
119.08590	10.5
121.06486	5.7
121.10156	10.3
123.04449	0.9
123.08031	1.3
125.05958	1.6
125.82737	0.9
128.06288	1.6
128.10718	3.4
129.07021	4.2
130.07738	1.0
131.08574	21.4
132.10210	24.6
133.06470	1.4
133.10146	2.1
135.04398	2.5
135.08031	2.4
135.11650	1.6
137.05974	1.4
137.09645	5.4
139.11256	1.1
143.08612	1.0
145.02888	2.1
145.06448	2.4
145.10124	12.3
146.03197	2.4
147.08061	5.5
147.11678	2.6
149.06006	2.4
149.09641	35.9
151.03967	1.3
163.07555	1.8
163.11176	15.4
165.09088	5.5
165.12724	1.3
167.10681	42.5
168.10991	1.0
173.09645	4.4
177.05434	2.9
178.05820	4.3
179.10641	1.1
182.15396	2.1
191.10692	34.4
192.13788	1.5
206.15474	1.2
209.11725	35.7
209.13684	1.9
210.14906	8.5
227.17368	1.3
252.15807	1.3
256.09039	0.8
256.15439	2.7
258.18536	3.8
276.16693	1.4
276.19608	17.1
276.72961	1.5
294.20673	10.5
304.18970	2.3
322.10101	2.5
322.20135	13.8
322.23941	1.4
340.12692	0.9
340.21497	10.2
343.30939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2896
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
52.68487	0.9
53.03933	2.5
55.01878	2.0
55.05517	46.3
57.03445	21.3
57.07081	25.7
59.83354	0.8
64.82424	0.9
65.03919	0.9
65.67033	0.8
67.05138	0.9
67.05510	27.2
69.07075	59.9
69.58049	0.8
70.86262	2.5
71.04984	2.8
71.08634	10.4
79.05504	12.1
81.03396	1.2
81.07064	32.0
83.05002	1.8
83.08627	35.0
83.09126	1.9
85.10204	4.3
91.05479	3.6
93.07053	16.9
93.07629	1.3
95.04963	1.0
95.08617	32.2
97.06537	4.6
97.10179	20.4
99.07468	0.8
99.08102	2.0
105.07040	9.0
107.04951	0.8
107.08592	11.1
109.10165	13.7
111.08093	3.1
111.11734	5.8
119.08589	13.9
121.06522	3.0
121.10148	31.6
123.11724	3.6
125.09683	2.6
125.13280	1.1
131.08589	1.3
133.10139	10.4
135.11716	11.6
137.13278	2.1
139.11163	2.2
145.10135	1.8
147.11700	13.3
149.13249	5.0
151.14809	1.2
153.12694	1.6
163.14833	2.9
165.16364	1.3
167.14368	1.5
175.11191	8.8
177.12703	0.9
177.16380	1.4
247.24307	4.1
265.25311	6.7
283.16943	57.9
284.17191	1.3
339.23322	8.6
339.28970	100.0
340.29169	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	338.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.05513	1.6
57.05799	0.6
57.07076	0.5
58.06602	0.5
58.99164	0.5
65.02997	0.4
67.05518	2.9
67.76328	0.5
69.06725	0.9
69.07072	10.5
69.64604	0.5
69.65038	0.5
70.13206	1.7
79.05486	3.7
80.34790	0.5
81.07064	6.5
83.04986	2.9
86.09712	100.0
86.68903	0.4
87.01411	0.5
88.04052	0.7
91.05492	7.6
93.07050	9.1
95.04982	2.1
95.08598	1.7
97.06529	0.6
98.20900	0.7
105.07036	10.1
107.08607	2.8
109.06538	6.9
109.10195	1.4
111.08086	2.6
117.07046	0.5
119.08588	3.1
121.10172	0.8
123.08000	0.8
127.33309	0.6
128.10754	5.3
129.07066	0.9
131.08591	4.0
133.06516	0.5
133.10139	13.2
144.10298	0.6
145.10185	0.5
146.11768	29.8
147.11703	7.9
149.09691	1.0
149.13289	1.3
151.07565	2.1
151.11197	32.1
156.10254	1.7
165.12846	1.4
168.93488	0.5
175.11206	3.2
193.12271	2.7
210.14917	0.9
222.14967	1.3
241.98766	0.5
260.20148	6.1
278.21164	34.1
279.21454	0.6
306.20670	2.0
320.22165	3.2
338.23264	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	339.1076
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
50.57952	0.7
65.03924	0.9
70.56496	2.4
91.04974	1.2
91.05489	12.2
98.21327	0.8
119.04956	27.5
119.05800	1.6
147.04422	100.0
165.05469	0.8
207.91014	0.9
320.26331	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
55.87476	3.1
59.44783	3.3
60.47863	2.7
69.03423	7.1
69.44987	21.9
79.05472	3.7
81.03412	7.9
81.07083	8.0
85.02903	4.1
86.47893	3.5
89.03897	4.1
91.05487	34.4
93.90489	3.7
95.08649	4.2
98.20882	7.6
105.07055	5.0
117.03394	10.8
119.04942	27.9
119.08633	4.7
136.13441	3.7
145.02872	24.9
147.04425	100.0
149.05998	4.8
151.08841	3.2
177.05496	42.5
188.08214	4.6
215.29520	3.5
321.09750	5.6
322.14041	4.1
323.18066	3.2
339.12610	5.1
339.16669	5.0
339.92270	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	339.1075
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03934	1.9
53.53576	0.5
55.01862	1.1
55.05518	5.6
56.50817	0.5
57.03426	1.5
57.07068	1.8
59.04986	0.6
61.02942	0.7
67.05511	4.9
69.03442	5.5
69.06724	0.8
69.07070	10.1
70.01630	2.6
71.04996	2.0
73.02913	0.8
79.05506	3.5
81.03429	9.4
81.07057	12.3
83.04971	1.3
83.08622	1.1
85.02918	3.2
85.06532	1.9
87.04462	0.5
89.03921	8.6
91.05498	3.5
93.07047	6.4
95.04964	2.5
95.08612	9.1
97.02886	1.7
97.06561	2.5
97.10163	9.3
99.04440	1.6
99.08081	1.0
101.05974	0.6
105.07032	3.9
107.05009	1.2
107.08614	3.5
109.02899	3.6
109.06517	1.4
109.10147	3.4
111.04427	0.6
111.08081	2.4
111.11716	3.5
115.11234	0.7
117.03384	24.7
119.08591	2.7
121.06560	1.4
121.10159	5.3
123.04418	1.2
123.11697	3.4
125.05981	0.8
125.09634	1.2
127.03890	2.1
131.08603	1.7
133.10176	2.8
134.03639	2.0
135.04430	1.5
135.08105	0.6
135.11688	3.0
135.17542	0.5
137.05959	1.1
137.09605	1.1
137.13231	1.8
139.11185	7.2
143.08597	0.9
143.10632	0.8
145.02853	61.5
145.10124	1.2
147.11682	2.4
149.05984	8.3
149.09630	1.1
149.13252	0.9
151.11217	1.4
153.12755	1.3
157.10109	0.6
157.12239	5.1
159.11700	1.8
161.09651	0.9
161.13309	1.0
163.07439	0.6
163.11143	1.0
165.12779	1.3
173.13277	0.9
175.11072	0.5
177.05481	100.0
178.05815	0.9
186.05525	1.4
189.12755	0.5
195.06577	1.5
205.98386	0.6
219.08025	1.0
253.08473	0.7
276.39352	0.6
277.21588	0.7
281.65128	0.6
303.23148	2.3
307.09775	1.0
311.12799	0.9
321.09695	7.9
321.24289	4.0
339.11612	2.7
339.18265	0.8
339.23111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	12.2
55.01871	9.1
55.05514	22.6
57.03427	8.8
57.07067	5.2
65.03939	5.2
67.05502	30.4
69.03090	3.8
69.03432	57.6
69.07073	35.7
69.07429	4.6
71.01334	3.3
71.05002	14.9
71.51548	4.9
73.02920	5.4
77.03894	2.9
79.05496	45.6
81.03423	91.8
81.06594	4.6
81.07062	70.5
83.04974	10.8
83.08612	10.7
85.02898	22.1
85.06550	81.0
88.75099	2.4
89.03909	3.3
91.05488	37.7
93.07049	100.0
95.04964	12.9
95.08617	50.6
97.02900	20.3
97.06544	35.0
97.10161	10.1
99.04469	17.3
99.08089	6.5
103.03988	3.0
103.05479	4.1
105.07041	79.0
107.04950	5.4
107.08598	73.2
109.02885	25.7
109.06532	12.4
109.10175	28.9
111.04446	9.1
111.08081	16.2
111.11719	2.9
112.37664	2.6
115.03918	7.1
115.05481	3.4
117.03365	10.3
117.07025	11.4
119.08592	72.8
121.06522	10.4
121.10155	89.6
123.04438	7.7
123.08082	18.1
123.11717	13.8
125.02357	3.3
125.06057	5.3
125.09626	8.0
127.03925	32.0
129.05452	3.8
129.07008	7.9
131.08551	23.9
133.06497	6.2
133.10144	78.9
135.08061	10.2
135.11717	27.4
137.05998	6.2
137.09608	13.2
139.07582	3.7
139.11160	7.9
141.06978	2.8
142.07735	3.5
143.08568	11.0
144.09306	4.3
145.02849	30.7
145.06503	4.9
145.10126	21.1
147.04379	2.7
147.08044	11.7
147.11707	30.5
149.05989	12.4
149.09598	10.7
149.13269	47.5
151.11183	9.7
155.08530	3.5
155.10722	2.8
157.10141	10.7
159.08070	8.3
159.11694	32.2
161.09628	9.5
161.13292	21.1
163.07503	3.5
163.11171	11.6
163.14754	4.2
165.05513	2.6
165.12738	11.9
167.07092	2.8
167.10777	2.9
167.14323	3.9
169.10159	3.1
171.11673	6.3
173.09628	6.8
173.13254	9.8
175.07587	3.7
175.11182	14.3
175.14737	2.8
177.05461	50.2
177.09087	3.8
177.12764	44.1
179.10689	4.2
179.14264	5.0
183.11623	4.7
185.09607	3.3
187.07471	2.8
187.11201	6.8
189.12744	23.0
191.14276	14.5
193.12268	5.5
195.13789	11.5
199.11232	4.7
201.07533	4.5
201.12781	6.2
203.14363	4.0
205.12280	7.6
207.13860	10.5
213.07475	3.8
213.12859	2.6
215.14404	3.3
217.12210	6.0
219.08063	2.6
219.10571	3.0
219.13820	7.9
220.11311	3.2
221.15257	3.1
228.10193	4.7
229.12099	2.8
231.13789	4.6
237.14960	2.9
247.13348	3.2
249.14948	4.2
251.10690	3.3
252.10237	5.9
259.13278	2.7
261.14822	5.8
262.15759	3.2
263.07129	3.7
265.89261	3.3
267.68469	2.5
278.09354	3.7
285.14932	6.3
303.15991	14.6
303.23410	5.8
307.09656	8.5
311.12866	3.8
321.09619	3.3
321.17007	25.2
321.24496	3.9
322.17999	33.4
339.12146	13.5
339.18002	58.6
340.18698	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	999.5904
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36035	1.5
71.01006	0.8
71.01384	11.7
72.99313	0.8
73.02939	2.1
75.19589	0.4
78.95912	0.9
79.95747	0.5
80.61652	0.4
81.03463	0.8
82.34583	0.4
83.01385	1.3
83.05033	0.8
84.02161	2.2
85.02943	2.8
87.00892	2.7
88.98798	0.8
89.02448	9.7
94.48763	0.4
95.01391	1.0
96.96016	8.5
96.96940	0.8
97.02937	2.3
97.06586	5.2
99.00886	0.7
101.02449	9.0
104.57134	0.5
109.11605	0.4
111.93536	0.4
113.02453	4.8
116.92864	0.6
119.03498	2.5
125.02454	4.0
125.09728	1.1
131.03566	0.6
131.32132	0.4
133.05093	0.4
143.03465	0.9
149.13197	0.4
161.04549	1.6
167.14392	0.4
171.10271	7.9
175.11230	0.4
179.05615	3.1
183.13922	0.9
185.11777	0.6
193.12338	6.7
209.11797	0.5
211.13393	1.9
221.06664	1.0
225.14963	12.0
235.08147	2.9
243.16068	5.0
249.09946	0.6
253.14302	0.9
277.21729	28.5
278.22073	1.9
281.25009	0.7
287.07800	1.2
291.19635	1.0
305.08691	1.1
305.21191	0.8
323.09787	0.6
323.22305	1.2
341.23325	100.0
342.23627	6.2
379.12527	1.6
397.13507	29.3
398.13931	1.6
415.14594	8.7
416.14774	0.6
601.44830	2.0
675.36078	1.9
721.36658	1.9
730.62433	0.5
739.37555	1.9
740.38245	0.5
898.69598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	8.9
71.07417	0.2
72.99307	0.8
73.02944	1.6
78.95901	0.5
81.03450	0.5
83.01405	1.1
83.05026	0.6
85.02953	2.3
87.00879	2.2
89.02441	8.3
90.02764	0.2
93.03460	0.3
95.01401	0.7
95.05032	0.3
96.96017	1.7
97.02951	1.5
97.06570	0.5
99.00889	0.7
101.02442	6.4
101.67394	0.2
109.06599	0.5
111.04538	0.3
111.08160	8.9
112.08512	0.3
112.98567	1.0
113.02451	3.6
114.93466	0.2
115.99730	0.2
119.03493	2.3
123.00913	0.2
123.08144	0.2
125.02460	2.6
125.09715	0.4
127.07674	1.5
128.90192	0.2
131.03484	0.5
133.05093	0.2
141.01912	0.4
141.09167	0.3
143.03535	0.9
145.04987	0.2
149.04552	0.3
151.11301	0.5
153.09218	0.5
153.12845	0.9
161.04575	1.6
163.11275	0.4
165.12816	0.4
167.10782	0.6
167.14413	0.2
169.01424	0.4
169.12337	5.3
171.10287	0.7
177.12820	0.2
179.05600	2.3
179.10703	0.4
181.12358	1.7
183.02959	0.3
183.13899	0.9
186.75066	0.2
193.12306	0.7
197.11827	50.8
198.12190	2.1
199.13405	2.7
209.11865	0.5
211.13387	7.4
212.13680	0.4
221.06656	0.9
221.11848	0.2
227.12903	0.9
235.08188	2.2
236.08687	0.3
245.19133	0.2
247.16891	0.3
247.20670	0.2
253.09151	0.4
263.07700	0.4
263.20181	3.7
265.18018	1.1
273.18680	0.9
287.07700	0.4
289.17993	0.6
290.18399	0.6
291.19653	15.4
292.19855	1.4
293.21082	0.4
305.08789	0.8
307.19113	0.7
308.19504	0.6
309.20700	100.0
310.21048	7.1
323.09714	0.5
327.21634	0.3
333.20700	0.6
379.12381	0.7
397.13486	16.0
398.13852	1.3
399.14175	0.2
415.14560	14.7
416.14954	1.0
595.26099	0.5
601.41119	2.5
602.41138	0.5
689.33929	2.3
707.34863	3.5
708.35303	0.7
805.78986	0.2
999.54968	1.0
1000.54980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	9.4
72.99312	0.6
73.02946	1.7
75.00882	0.5
78.95871	0.4
81.03456	0.5
83.01389	0.8
83.05034	0.6
85.02955	2.2
87.00885	2.5
89.02445	8.5
95.01391	1.0
95.05002	0.4
96.96006	0.8
96.96944	0.3
97.02944	1.9
97.06606	0.5
98.19878	0.6
99.00851	0.5
101.02443	6.7
109.02969	0.2
109.06594	0.8
111.04604	0.3
111.08163	9.1
112.08466	0.3
112.98548	0.7
113.02446	3.7
119.03496	2.5
119.08559	0.2
125.02457	3.0
127.04112	0.3
127.07646	1.0
137.09726	0.4
141.01930	0.3
141.09161	0.4
143.03497	1.5
151.11305	0.7
153.09209	0.6
153.12857	0.9
161.04590	1.8
163.11115	0.3
165.12814	1.1
167.10864	0.5
167.14420	0.3
169.12332	4.6
171.10268	0.6
179.05597	2.6
179.10728	0.5
181.12387	1.2
183.03091	0.3
183.13879	1.0
193.12386	0.6
197.11830	47.0
198.12154	1.5
198.30110	0.3
199.13400	2.4
209.11861	0.6
211.13371	7.3
221.06641	1.2
221.12027	0.3
223.13431	0.4
227.12831	1.2
229.19884	0.4
235.08228	2.1
247.20653	0.7
253.09142	0.5
254.20712	0.3
263.20142	3.3
265.18069	1.1
273.18686	1.4
287.07654	0.5
291.19662	16.9
292.19965	1.0
305.08832	0.9
309.20703	100.0
310.21072	5.6
323.09641	0.5
333.20807	0.6
379.12332	0.6
397.13525	18.4
398.13818	1.2
415.14587	13.6
415.19049	0.3
416.14954	0.6
595.26190	0.4
601.41199	2.0
689.33844	2.0
707.34967	4.3
999.55212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	10.7
72.01746	0.2
72.99316	0.9
73.02947	1.5
75.00872	0.2
75.65623	0.2
76.35090	0.2
78.95921	0.3
81.03442	0.6
82.03777	0.2
83.01398	0.6
83.05021	0.8
85.02943	2.6
86.00077	0.2
87.00879	2.7
89.02443	8.0
90.00114	0.2
95.01359	1.1
96.96008	1.0
97.02952	3.1
97.06583	0.4
99.00882	0.6
101.02438	8.2
109.02996	0.3
109.06596	0.7
111.00894	0.4
111.04519	0.3
111.08159	11.1
113.02454	4.3
115.00441	0.2
119.03488	2.1
121.02910	0.2
123.00893	0.2
123.04555	0.2
123.08159	0.4
124.01717	0.2
125.02447	3.5
125.09696	0.6
125.75234	0.2
127.07672	0.7
131.03531	0.3
135.11856	0.2
137.09706	0.6
139.04025	0.4
141.09248	0.3
143.03471	1.6
149.04617	0.3
151.11320	0.9
153.09291	0.5
153.12811	1.3
159.02927	0.2
161.04552	1.9
163.11278	0.4
165.12862	1.1
167.03516	0.3
167.10779	0.3
167.14427	0.2
169.01416	0.5
169.12347	5.6
170.12697	0.4
171.10272	1.2
179.05595	2.9
179.10764	0.8
181.12325	1.3
183.02963	0.2
183.13913	0.5
188.04480	0.2
193.12335	0.8
193.16042	0.3
197.11823	54.3
198.12169	2.2
199.06273	0.2
199.13409	2.8
209.11810	0.8
211.13385	7.0
212.13756	0.3
215.53673	0.2
217.07053	0.4
221.06532	1.2
221.11790	0.3
223.13437	0.3
227.12904	2.0
230.11513	0.2
235.08221	2.6
239.12856	0.2
247.20589	1.0
253.09305	0.7
259.08154	0.2
263.07608	0.5
263.20151	2.7
265.18060	1.5
273.18536	1.2
287.07721	1.1
291.19656	20.4
292.20029	1.5
293.21136	0.3
305.08698	1.0
309.20694	100.0
310.17477	0.3
310.21042	5.9
323.09796	0.6
325.19998	0.3
327.21915	0.4
333.20828	0.4
351.21475	0.2
379.12582	1.4
397.13480	22.4
398.13889	1.2
415.14563	13.2
416.15091	0.6
505.19757	0.2
527.29443	0.2
577.25018	0.3
595.25885	0.5
601.40979	1.3
602.41071	0.3
689.33911	2.3
707.23663	0.3
707.35016	3.8
708.35303	0.4
968.50507	0.2
999.54926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5695
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56057	100.0
70.56458	78.2
70.61109	49.3
71.23283	51.3
74.76392	50.6
78.21700	51.4
136.90091	52.2
139.10048	48.9
156.05666	48.1
219.70720	47.0
273.59171	49.2
509.42227	54.3
521.72412	55.0
682.18683	52.8
733.21820	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	3.6
71.52494	0.7
73.02946	1.1
81.03455	1.4
83.01382	0.6
85.02942	3.8
87.00875	0.5
93.03424	0.9
95.01398	2.4
96.96007	2.8
97.02920	0.4
101.02445	1.6
107.01422	0.6
107.05002	0.3
108.02171	54.1
109.02958	29.5
110.03274	0.5
113.02443	1.5
121.02942	1.4
123.00909	2.8
123.04556	0.8
125.02438	2.3
133.10265	0.5
135.00867	0.7
135.11726	0.5
144.05881	0.5
151.00351	0.4
151.04030	1.1
152.01143	56.4
153.01935	17.1
154.02234	0.8
159.08141	0.7
161.04507	0.7
161.09776	1.7
163.04001	1.1
165.01915	4.0
168.00613	0.5
169.01387	1.9
179.10779	1.1
193.01350	0.6
211.02490	2.9
227.03545	0.5
243.02892	0.9
255.02879	0.5
271.02271	10.2
271.04691	2.3
272.02710	0.9
283.67136	0.4
285.03976	0.7
299.01938	16.9
300.02518	2.8
309.52734	0.4
314.04303	20.9
315.04773	6.7
315.07358	7.4
316.05194	0.6
331.06628	1.4
477.10294	30.5
477.17584	15.1
478.10583	3.0
478.17752	1.7
521.16541	100.0
522.16937	9.1
780.43530	0.4
866.45203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	46.6
71.50571	2.4
72.99294	4.1
73.02938	4.7
75.00877	2.0
78.95895	2.2
79.95718	3.5
81.03460	5.8
83.01382	6.0
83.05000	4.1
83.32740	1.7
85.02947	12.8
87.00874	9.8
89.02447	40.3
95.01359	2.3
95.05017	2.0
96.96005	30.7
97.02957	10.5
97.06622	4.0
99.00872	4.2
99.04472	1.8
101.02445	29.9
109.06592	1.7
111.04468	1.8
111.08164	14.7
112.98633	1.8
113.02453	16.5
119.03475	11.4
123.04538	2.5
123.08221	1.8
125.02469	11.3
125.09768	8.0
131.03529	3.3
137.09735	4.2
139.04077	1.8
143.03488	6.3
151.11313	3.2
161.04510	8.8
162.10391	2.0
163.11295	6.3
165.12859	4.4
167.10716	2.3
168.08122	1.7
169.01376	1.9
169.12340	5.2
171.10274	4.0
177.12830	1.9
179.05600	10.7
179.10837	2.1
185.11777	8.0
191.14413	4.1
193.12448	2.0
195.13852	9.1
197.11838	46.9
198.12202	4.2
199.13434	3.6
201.77029	1.6
205.15942	2.0
207.10254	3.2
209.11868	17.4
211.13429	8.7
221.06606	4.9
223.13373	7.1
225.11215	2.8
227.12886	8.7
228.13455	2.1
235.08105	8.4
237.11212	2.2
245.19125	9.8
247.20734	2.0
253.09267	2.5
263.07727	2.5
263.20193	5.5
265.18195	2.0
273.18573	2.6
275.20187	7.3
277.21786	4.9
287.07907	2.2
289.18088	50.9
290.18427	4.9
291.19653	100.0
292.20035	8.7
293.21231	88.2
294.21567	6.3
307.19144	45.9
308.19443	5.7
309.20712	66.8
310.21072	10.1
311.22159	5.8
379.12476	2.0
397.13513	47.0
398.13699	3.7
415.14517	24.9
416.15088	3.2
444.25665	1.6
449.76639	1.7
469.05301	2.7
607.25714	3.0
705.33386	2.2
707.34882	2.2
734.70850	1.8
811.10565	1.8
901.46277	2.3
999.53790	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	997.5374
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	2.2
69.33018	3.6
71.01380	20.1
72.99297	1.6
73.02942	2.5
76.07241	0.4
78.95892	1.0
79.95761	0.5
80.02676	0.5
80.96529	0.5
81.03446	2.0
83.01381	2.5
83.05012	2.1
85.02950	4.7
86.17695	0.5
87.00453	0.5
87.00883	4.1
89.02443	14.9
93.03474	0.6
95.01382	1.8
95.05012	1.4
96.96027	2.8
97.02931	4.3
97.06575	3.4
98.20678	0.9
99.00875	1.4
99.04517	0.6
100.94860	0.4
101.02440	14.1
106.57062	0.4
106.59286	0.4
109.02943	0.8
109.06580	1.5
111.04498	0.5
111.08154	10.3
112.98568	0.5
113.02446	8.4
115.04073	0.6
116.92838	0.5
119.03504	4.7
121.06609	1.0
123.00861	0.5
123.04522	1.9
123.08129	1.3
125.02428	6.8
125.06087	0.5
125.09727	4.0
127.07619	1.0
131.03526	0.9
135.08159	0.9
137.09697	2.0
139.11295	0.8
141.01901	0.8
141.12897	0.5
143.03526	3.3
147.95016	0.5
149.04568	0.8
149.06053	0.6
149.09767	0.6
151.11275	1.6
153.12846	2.0
161.04581	3.8
163.11282	4.5
165.12805	2.7
167.10713	1.0
169.01396	1.2
169.12332	5.0
171.10327	0.6
175.11151	0.5
177.09137	0.6
177.12862	0.8
179.05609	4.5
179.10753	1.5
181.12344	2.8
181.32809	0.4
183.13887	1.3
185.11836	4.0
191.10811	1.0
191.14426	5.9
193.12283	0.8
197.11821	55.5
198.12161	2.1
199.13440	2.8
207.10223	2.2
209.11826	13.0
210.12184	0.6
211.13388	9.5
212.13669	0.4
217.07211	0.6
217.15994	0.5
221.06552	2.4
225.11304	2.1
226.11926	0.4
227.12939	3.7
235.08229	4.6
237.11226	2.4
245.19081	10.5
246.19411	0.8
251.12694	0.6
253.09242	1.2
263.07654	1.0
263.20142	7.8
265.18063	1.8
268.38419	0.4
271.17014	2.1
273.15677	0.5
273.18719	1.3
279.19522	0.5
281.21146	1.2
287.07657	1.3
289.18085	47.3
290.18399	3.5
291.19632	17.4
292.20041	1.1
305.08807	1.1
307.19147	51.4
308.19461	3.4
309.20691	100.0
310.21045	6.4
323.09891	1.7
325.20111	0.8
331.19333	0.7
333.20648	0.5
379.12433	1.7
397.13495	33.8
398.14178	2.3
415.14532	17.2
416.14709	1.2
469.55161	0.6
493.29584	0.5
501.32425	0.7
547.93774	0.5
589.24969	0.6
599.39618	0.7
607.26343	1.4
687.32843	2.1
689.34021	1.2
705.33215	3.6
707.34991	1.7
878.27460	0.5
899.47003	2.5
997.53333	4.5
998.52728	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	987.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.2
69.36662	0.4
69.37071	0.9
71.01025	0.2
71.01369	1.0
72.99310	0.2
79.01894	0.8
83.01383	0.5
85.02941	0.6
87.00860	0.3
89.02441	0.6
95.01424	1.1
96.22071	0.2
97.02962	0.3
99.00861	0.3
101.02444	0.5
107.01392	2.7
111.00864	1.0
113.02451	0.5
122.99994	0.5
123.00887	7.7
124.01669	0.2
125.02439	9.5
127.00366	0.4
133.02948	0.9
135.28915	0.2
136.98804	0.8
138.06879	0.6
138.99347	0.2
139.00368	2.9
140.01160	1.5
141.01933	0.6
151.00360	6.3
152.00681	0.2
153.01953	0.3
153.09224	1.1
163.04051	0.4
168.00653	1.9
169.01422	12.2
170.01755	0.3
175.03967	0.4
181.05075	0.3
199.04164	0.4
211.02457	1.1
217.05037	0.3
225.14893	0.5
227.63699	0.2
253.03506	0.2
256.03741	0.7
265.37091	0.2
271.04556	1.4
272.57248	0.2
284.03256	14.3
285.04028	29.1
286.04398	1.6
301.03607	0.2
313.05652	1.3
327.05109	0.4
447.09308	28.1
448.09781	2.4
539.21301	100.0
540.21649	9.4
540.28217	0.2
593.89209	0.3
800.71338	0.2
871.67859	0.3
877.56598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71230	100.0
71.01402	21.3
74.10532	14.6
83.25995	15.2
94.91320	14.8
96.95999	18.3
98.20605	32.6
125.02386	19.0
153.65363	15.4
169.01486	29.0
209.11870	31.0
236.10464	25.4
247.56900	16.3
302.89142	14.7
309.20749	20.6
358.99805	19.7
397.13232	19.9
453.11392	18.7
690.52557	20.2
747.74005	18.3
783.03394	16.7
931.31909	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	996.502
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52673	36.8
71.49899	71.3
96.96026	100.0
116.92850	76.1
125.02423	45.8
138.22575	36.2
153.15988	38.2
167.19295	46.4
191.05516	54.2
203.59985	39.7
355.22552	42.2
623.35773	39.9
1015.58411	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.502
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52673	36.8
71.49899	71.3
96.96026	100.0
116.92850	76.1
125.02423	45.8
138.22575	36.2
153.15988	38.2
167.19295	46.4
191.05516	54.2
203.59985	39.7
355.22552	42.2
623.35773	39.9
1015.58411	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	2.6
71.01379	29.5
72.01720	0.5
72.99320	2.7
73.02946	3.9
74.68652	0.5
75.00854	1.2
78.95901	0.7
79.95720	0.8
80.02668	1.2
81.03453	3.3
83.01393	5.3
83.05012	3.2
85.02951	8.2
86.79428	0.5
87.00880	7.0
89.02444	21.8
93.03437	1.0
94.60844	0.6
95.01388	2.6
95.05005	1.8
96.96004	2.7
97.02945	6.8
97.06592	4.9
99.00872	1.8
99.04528	0.6
101.02443	21.0
106.04228	0.9
107.05025	1.1
109.02939	1.1
109.06584	1.8
111.04525	0.8
111.08155	11.6
113.02449	12.9
113.57179	0.5
116.92824	0.7
119.03509	6.0
119.04952	0.6
119.08636	0.7
121.02987	0.7
121.06604	1.6
123.04544	2.7
123.08149	2.0
125.02454	9.6
125.06052	1.1
125.09702	6.8
127.07661	1.1
131.03516	1.6
133.05052	0.6
135.04582	0.6
135.08168	1.0
137.09694	4.2
139.04013	0.7
141.01912	1.5
141.09212	0.6
141.12822	0.9
142.02689	0.7
143.03516	4.1
149.04552	1.2
149.06055	0.7
149.09680	0.7
151.11263	1.6
153.09154	1.0
153.12738	1.2
161.04550	4.5
161.09706	1.3
163.11285	6.9
165.11610	0.5
165.12825	3.5
167.10768	1.2
169.12338	5.5
171.10237	2.1
173.09766	0.7
177.12790	1.5
179.05623	6.1
179.10765	1.3
179.14484	0.6
181.12297	2.8
183.13893	1.5
185.04584	0.7
185.11835	6.9
191.10760	1.5
191.14418	7.0
193.12318	0.9
195.13777	1.4
197.11829	64.5
198.12138	2.2
199.13403	3.6
203.10640	0.6
207.10251	3.5
209.09904	1.0
209.11815	15.0
211.13388	12.2
217.07211	0.7
217.15988	1.2
219.05164	0.5
221.06569	2.8
221.11787	0.7
221.15289	0.7
223.13446	0.6
225.11256	3.4
227.12906	3.7
229.04407	0.6
233.15544	0.5
235.08261	5.4
235.13322	0.8
237.11279	3.5
239.88750	0.5
243.17430	0.6
245.19099	15.0
245.21622	0.8
246.19481	1.0
247.13373	1.0
247.20552	1.2
253.09186	1.4
263.07736	0.6
263.20145	6.2
264.20505	0.6
265.14465	1.0
265.18060	2.1
271.16977	1.5
273.18570	1.8
279.19586	0.9
281.21246	1.2
285.96030	0.5
287.07730	1.3
287.16568	0.7
289.18094	62.8
290.18472	3.3
291.19656	25.0
292.19986	1.8
293.21222	7.2
300.51605	0.5
305.08826	2.2
305.17554	2.7
307.19144	63.1
308.19495	3.3
309.20697	100.0
310.20981	5.6
323.09735	1.1
325.20145	1.4
327.29285	0.5
333.20535	0.7
349.19922	0.6
351.21942	0.5
379.12430	2.1
397.13492	42.3
398.13690	2.3
415.14563	23.3
416.14832	1.3
419.36212	0.6
484.75485	0.5
599.40240	0.7
607.26300	1.6
669.31360	0.7
687.31897	2.5
689.33911	1.0
705.33594	3.6
707.35059	2.0
899.46063	0.7
939.48712	0.8
979.53827	0.7
997.53864	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	985.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	22.9
71.50600	2.9
83.05025	5.5
85.02940	5.7
87.00860	4.4
89.02452	20.5
92.18772	2.6
95.01373	4.4
95.86750	2.8
96.96040	19.5
97.02937	5.3
99.00878	3.1
101.02434	11.2
106.22638	2.5
109.06602	3.8
111.08109	3.7
113.02460	8.8
116.92851	8.7
123.00887	2.8
125.02426	11.7
125.09759	2.7
128.03522	4.4
129.01904	5.2
135.03006	2.6
161.04535	4.5
169.01382	11.3
169.12381	2.8
171.10223	6.8
179.05650	6.5
181.12268	3.2
183.02927	3.8
191.10777	3.5
197.11784	28.6
198.12230	2.9
201.11264	3.9
202.42162	2.7
207.10271	6.4
209.11824	85.6
210.12218	2.6
211.13408	8.6
225.11305	7.9
227.12872	20.1
235.08173	6.4
287.07446	3.3
289.17999	4.3
291.19754	18.0
305.08847	3.6
307.19217	5.1
309.20718	100.0
310.20895	8.5
323.43152	2.9
342.17917	3.0
379.12393	9.0
397.13553	68.6
415.14545	22.4
511.78906	2.9
589.24786	6.1
607.26093	19.0
689.33771	15.8
690.33679	3.7
707.35120	15.4
899.46423	9.5
917.46649	4.4
973.15277	3.2
985.47949	63.9
986.48608	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	985.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	2.8
69.80159	0.4
71.01379	17.3
72.99303	1.7
73.02937	2.9
75.00880	0.5
78.95905	0.7
81.03450	1.2
83.01387	1.8
83.05009	0.7
85.02943	9.7
87.00886	4.1
88.98802	0.5
89.02441	13.3
90.40920	0.4
95.01387	0.9
95.05009	0.8
96.96022	0.9
97.02950	3.8
97.06591	2.3
99.00903	1.1
99.04514	0.7
101.01796	1.0
101.02439	12.1
105.01920	0.5
111.04572	0.5
113.02434	6.4
116.92850	1.7
119.03501	4.9
123.08127	0.4
125.02443	4.4
125.09764	0.6
127.07630	0.5
127.11308	0.8
131.03433	0.7
137.09715	2.3
139.03955	0.8
141.01967	0.5
143.03539	2.3
149.04530	0.5
161.04582	2.5
165.12888	0.6
171.10263	22.3
172.10599	0.8
177.12852	0.6
179.05589	3.4
183.13878	2.6
185.11919	0.6
193.12427	0.6
197.11795	1.0
201.11270	1.1
209.11751	0.9
211.13370	10.3
212.08070	0.4
212.13815	0.8
218.18677	0.5
221.06641	1.3
221.11754	1.8
227.12822	0.5
229.14412	5.8
233.26912	0.4
235.08246	4.6
239.12863	1.7
250.57639	0.4
253.09299	0.9
263.07764	0.8
273.18701	0.5
275.06876	0.4
277.21710	31.6
278.22098	2.6
287.07632	1.2
291.19717	3.6
293.21246	1.0
295.22797	1.8
305.08777	1.6
309.20712	9.6
310.21155	0.9
323.09717	1.2
327.21741	100.0
328.22061	6.9
348.44644	0.4
379.12344	1.0
397.13486	48.3
398.13837	3.5
415.14554	15.5
416.14590	1.2
421.90793	0.5
502.24872	0.4
587.43201	1.5
675.35254	2.1
676.36432	0.9
707.34717	5.4
708.35358	0.7
725.35919	2.3
985.58191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.118
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	0.3
71.51130	0.4
73.02921	0.3
93.03462	0.4
95.01379	0.9
109.02940	0.6
117.03454	0.9
119.05011	0.9
121.02972	0.4
123.00909	1.7
124.01662	0.7
125.02431	3.2
126.93873	0.3
129.03456	0.7
131.05112	0.4
133.02943	0.9
134.18430	0.3
137.02429	0.9
145.02954	2.9
147.04512	2.1
149.02426	1.1
151.00345	0.4
151.03970	0.4
157.02937	0.9
158.03760	0.3
159.04517	2.3
160.11980	0.3
161.02429	1.9
161.06073	0.4
163.00362	0.8
163.04013	2.0
164.01120	0.7
165.01859	0.6
169.01399	3.4
172.01682	0.3
173.02412	3.1
175.04037	3.0
176.01154	0.4
176.04350	0.3
177.01894	1.4
177.05490	0.4
185.02414	3.1
187.04016	1.4
189.01909	2.9
190.02742	1.6
190.99881	0.6
191.03479	2.5
193.01375	1.2
200.01173	0.4
201.01929	4.1
202.02670	0.5
203.03510	4.7
204.00566	0.3
205.01398	0.5
205.05093	1.4
213.01889	1.2
214.99812	0.3
216.00574	0.7
217.01404	2.6
218.02098	0.7
219.02986	1.9
221.04555	1.2
226.99905	0.4
229.01425	7.4
230.01894	0.4
231.02985	6.7
233.00938	0.3
237.00404	0.5
242.99370	0.7
244.00099	0.7
245.00877	6.8
246.01607	0.8
247.02461	7.6
248.03075	0.8
249.04033	3.0
257.00909	7.1
258.01630	1.3
261.00409	0.5
270.98856	1.4
271.02170	0.4
273.00400	7.0
274.01108	2.0
275.01978	19.3
276.02316	1.1
283.99625	2.8
285.00449	0.3
290.00919	0.3
291.01486	1.8
293.02991	1.6
298.98346	1.7
299.95935	0.6
299.99109	6.4
300.99875	100.0
302.00220	4.9
307.04688	0.4
319.00720	0.8
343.00888	1.2
351.03482	2.8
435.05722	0.8
437.07281	0.8
463.05157	4.6
567.80402	0.3
589.09003	0.3
605.07330	0.5
615.06287	0.7
633.07275	0.8
634.07111	0.4
735.04663	0.6
739.08051	0.8
765.05841	1.3
797.08038	0.4
839.10437	0.3
909.10126	3.0
910.10126	0.4
935.07953	16.8
936.08099	3.0
953.08533	1.1
960.53864	0.4
967.10425	1.2
968.09637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03445	6.2
71.01385	100.0
72.99316	5.3
73.02946	8.0
79.95757	2.4
80.02684	2.4
81.03453	6.0
83.01387	5.9
83.05031	5.6
85.02953	13.2
87.00845	13.0
89.02448	36.3
93.03471	2.4
95.01389	4.6
95.04989	3.4
96.96015	5.8
97.02964	15.9
97.06586	2.8
98.22321	2.2
99.00872	9.1
101.02443	41.2
109.02988	2.9
109.05903	4.1
109.06595	41.9
111.00861	3.0
111.04514	4.7
112.51290	2.2
113.02458	15.7
119.03505	16.0
119.08650	2.4
121.02943	5.1
122.03709	3.2
123.00898	4.2
123.04507	6.8
123.08104	2.3
125.02436	15.7
125.09719	11.1
135.08134	6.4
137.09639	2.9
142.02756	2.9
143.03490	7.6
151.11232	3.4
161.04518	7.8
161.09764	5.5
163.11278	23.2
165.12865	2.8
169.01443	8.4
169.12257	2.4
171.10295	17.1
179.05586	12.0
179.10805	10.5
181.12369	6.9
183.03053	5.6
185.11803	8.1
189.09190	2.5
191.14388	6.1
197.11894	12.5
199.09808	5.2
200.85381	2.5
201.11369	3.9
205.08717	18.5
207.10263	76.6
209.11816	38.0
211.13351	6.9
213.11281	6.0
221.06639	8.0
223.09734	28.2
225.09225	4.4
225.11317	55.1
227.12924	7.8
235.08191	8.3
241.10878	6.1
243.12439	4.5
245.19057	10.9
289.18088	38.3
289.21399	3.3
291.19611	26.7
299.14975	3.9
307.19171	24.7
309.20728	26.9
397.13428	30.8
415.14377	15.3
509.10059	2.8
530.49951	2.2
605.23969	2.9
621.23956	3.6
623.25507	9.6
658.97241	2.8
845.38043	3.2
867.18085	2.5
913.44794	7.3
914.42859	2.9
931.44885	3.6
985.43048	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	983.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99560	8.7
69.03450	1.1
71.01378	19.4
72.99303	1.8
73.02948	3.8
75.00904	0.8
78.95898	1.5
79.95723	0.9
81.03417	0.8
83.01381	1.9
83.05067	0.8
85.02957	5.6
87.00872	3.8
89.02448	17.4
89.31516	0.6
95.01395	2.1
95.05036	1.3
96.96016	8.1
96.96960	0.9
97.02931	2.9
97.06544	0.7
99.00854	1.3
101.02448	14.7
109.06571	0.7
111.08155	9.7
112.98571	7.6
113.02445	8.1
116.92884	1.5
119.03491	4.7
125.02446	5.2
131.03441	0.9
132.35902	0.7
137.09764	1.1
143.03477	2.9
161.04553	3.9
167.10783	2.0
171.10291	1.3
176.63904	0.7
177.12851	2.3
179.05638	5.1
179.10774	1.7
179.14459	1.0
195.13899	13.6
197.11830	0.6
205.16010	0.9
209.11798	1.0
221.06564	1.7
223.13347	5.8
228.13680	1.2
229.06052	0.7
235.08224	4.0
247.20648	2.3
253.09311	0.8
256.13101	1.5
263.07687	0.7
273.18539	1.4
275.20151	5.6
277.21704	2.0
287.07709	1.6
291.19653	83.1
292.20026	5.6
293.21219	100.0
294.21555	7.0
295.22717	1.1
305.08524	0.9
309.20755	2.4
325.20267	1.4
379.12299	1.4
397.13510	29.1
398.13403	1.2
415.14548	14.7
689.34283	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01344	48.3
88.98784	100.0
116.92873	82.6
125.24592	49.9
162.85802	52.2
199.90288	50.9
209.11932	95.5
277.21573	70.1
389.45120	56.6
784.85748	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5585
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99577	0.5
69.03456	1.8
71.01382	16.5
71.50333	0.6
72.99328	1.5
73.02944	2.4
74.91360	0.4
75.00873	0.6
78.95937	0.5
79.95727	0.5
80.91694	1.2
80.94006	0.4
81.03453	0.8
83.01408	1.5
83.05042	0.6
85.02950	4.4
87.00881	3.5
87.74522	0.4
89.02444	12.8
91.14050	0.4
95.01398	1.7
96.96011	5.5
96.96983	0.5
97.02958	4.1
97.06602	1.0
99.00900	1.3
101.02447	11.7
106.95332	0.5
109.06606	0.9
111.00867	0.7
111.08167	7.5
113.02457	6.3
115.03998	0.5
116.92907	0.7
119.03506	4.1
121.02904	0.4
125.02459	5.5
127.07648	0.6
131.03519	0.5
133.04990	0.4
143.03514	2.0
143.99107	0.5
151.11327	0.6
153.12910	0.8
161.04584	2.3
163.11325	0.6
165.12842	0.9
169.01437	0.8
169.12325	3.3
171.10260	1.6
179.05638	5.3
179.10797	0.7
179.14456	0.6
181.12320	0.9
193.12395	0.6
195.13882	7.4
197.11826	35.2
198.12169	1.8
199.13304	2.4
205.12363	0.7
207.10294	0.6
209.11803	1.1
211.13405	6.5
219.74211	0.5
221.06703	1.3
221.40396	0.4
223.13405	5.1
225.14874	0.6
227.12910	2.0
228.13786	0.9
235.08246	4.0
247.20689	0.9
253.09331	1.2
256.13080	1.2
258.04807	0.4
258.68481	0.5
263.20181	1.8
265.18109	0.5
273.18619	1.2
275.20145	5.1
277.21725	0.6
287.07715	1.3
291.19656	18.7
292.19934	1.5
293.21228	100.0
294.21539	5.9
305.08896	1.5
306.68961	0.5
309.20709	77.4
310.21106	5.6
323.09875	1.1
379.12509	1.8
397.13507	31.5
398.13882	2.1
415.14557	19.6
416.15369	0.9
577.24829	0.6
585.41870	2.8
586.41919	0.5
595.25659	0.7
673.34381	0.6
689.33960	2.3
691.35345	1.3
707.35114	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	983.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34155	1.5
71.01376	1.8
72.99313	0.3
73.02965	0.3
79.01884	0.7
83.01376	0.5
85.02976	1.0
85.83601	0.2
87.00871	0.3
95.01389	1.1
97.02921	0.3
99.00859	0.3
101.02440	1.1
107.01396	1.8
111.00906	1.0
113.02428	0.8
122.99998	0.5
123.00889	7.5
124.01716	0.4
124.66167	0.2
125.02448	9.1
126.02876	0.2
127.00364	0.5
129.38948	0.2
136.98795	0.8
139.00378	3.4
140.01192	1.7
141.01933	0.8
150.99176	0.4
151.00377	5.2
152.31593	0.2
153.01886	0.4
154.99898	0.2
168.00674	1.5
169.01418	10.3
170.01753	0.5
179.03583	0.2
181.05058	0.3
183.02977	1.0
211.02466	0.7
271.04651	0.9
294.47864	0.2
313.05478	1.1
335.04221	0.4
353.19791	0.2
413.21848	0.6
523.21838	2.5
524.22284	2.8
525.23395	100.0
526.23737	8.8
744.97504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.558
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99581	1.6
69.03458	2.1
70.39839	0.5
71.01379	18.0
72.99332	1.5
73.02946	2.6
78.95911	1.0
79.95734	0.7
80.91682	0.6
81.03448	0.5
83.01403	1.9
83.05063	0.6
85.02948	4.2
87.00882	3.5
89.02441	14.7
91.80014	0.4
95.01421	1.3
95.05011	0.5
96.96012	7.7
96.96975	0.9
97.02938	2.3
98.19901	1.6
99.00903	1.4
99.04522	0.5
101.02438	10.5
109.06605	0.7
111.04487	0.5
111.08149	8.3
111.08879	0.5
112.98605	1.5
113.02453	6.3
113.39684	0.6
116.92902	0.8
119.03493	2.9
125.02436	5.6
125.09728	0.6
127.07630	0.8
129.01898	0.5
131.03532	0.8
141.01950	0.5
141.09248	0.6
143.03557	2.2
143.99205	0.6
145.05127	0.5
149.04575	0.5
151.11284	0.7
153.12856	0.6
161.04567	3.1
167.10788	0.8
169.12311	4.1
171.10281	1.8
179.05592	4.0
179.10794	1.0
179.14420	0.6
180.10675	0.4
181.12347	1.5
183.13931	0.8
195.13907	8.2
197.11821	43.1
198.12192	1.8
199.13400	2.4
205.12361	1.2
209.11751	0.6
211.13408	7.9
212.13924	0.6
221.06645	1.8
223.13397	5.9
225.14813	0.6
227.12802	0.7
228.13681	0.9
231.21082	0.7
235.08202	3.7
253.09341	1.3
256.13174	1.0
263.20142	3.2
265.18121	0.7
265.21869	0.5
275.20142	4.9
277.21735	0.6
287.07892	0.8
289.18237	0.8
291.19656	14.4
292.20044	2.0
293.21213	100.0
294.21591	7.6
305.08777	1.4
307.19232	0.8
309.20694	93.6
310.21085	6.9
323.09750	0.8
338.19327	0.5
379.12332	1.4
392.55753	0.5
397.13489	35.2
398.13693	2.0
399.14276	0.8
415.14539	22.1
416.14651	1.2
511.92215	0.6
585.41302	3.7
594.86560	0.6
654.27277	0.6
673.34521	0.7
689.33533	1.8
691.35016	3.0
707.33990	2.5
983.53766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	68.5
71.41754	26.8
75.00859	31.3
78.31519	25.8
96.96026	36.0
101.02476	26.4
101.17213	24.5
115.00388	25.1
121.02909	41.7
121.44546	25.7
121.45354	30.1
121.66293	29.5
122.67810	24.3
123.00892	24.6
124.93296	25.8
125.02449	78.0
129.01936	100.0
135.03041	63.7
163.29449	25.2
166.95352	23.7
169.01381	68.1
209.11795	35.2
290.97250	24.4
469.04919	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81915	57.0
71.01363	71.8
72.03559	17.8
83.01425	21.6
88.98799	19.4
95.01390	21.5
101.02431	25.4
109.19757	19.9
125.02474	39.6
168.00557	20.2
169.01425	66.0
171.10333	21.6
209.11783	100.0
253.41313	18.8
291.19620	29.7
309.20618	25.2
397.13586	33.1
758.81226	20.3
787.62506	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	980.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	68.3
96.96027	73.6
135.63167	54.0
169.01501	85.9
284.78015	58.0
291.19501	100.0
309.20892	76.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67121	25.4
71.01371	54.0
71.50327	44.6
75.00876	54.3
84.47837	24.5
88.98792	52.6
89.02432	37.3
101.02451	32.3
101.45146	24.4
115.00394	58.0
116.92865	46.3
123.00915	43.4
125.02409	79.3
129.01939	78.6
135.02992	42.1
169.01440	100.0
175.02492	63.8
197.11734	56.4
201.37708	26.4
207.10353	51.3
209.11893	77.7
220.95987	28.5
224.64104	26.4
226.11844	34.4
239.12874	31.1
253.95964	36.3
309.20673	56.9
397.13626	29.4
638.10968	29.9
703.46307	37.5
776.89056	27.9
918.48468	30.7
1005.76691	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	979.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99841	0.2
69.03471	0.2
71.01379	1.9
71.01745	0.3
72.99331	0.2
73.02937	1.1
79.01881	0.7
83.01386	0.7
85.02952	1.0
89.02448	0.3
95.01393	1.0
97.02962	0.4
98.19822	0.2
99.00900	0.2
101.02447	1.5
107.01396	1.9
110.00137	0.2
111.00864	1.2
113.02461	0.5
119.03471	0.2
123.00887	8.3
124.01713	0.2
125.02451	8.5
127.00374	0.4
136.98834	0.9
137.02415	0.2
137.09705	0.2
139.00378	2.8
140.01157	1.8
141.01939	0.9
151.00368	6.4
151.04079	0.2
152.00696	0.2
153.01897	0.6
161.04527	0.3
163.04034	0.3
168.00633	2.0
169.01427	11.8
170.01759	0.5
181.05048	0.3
184.29713	0.2
191.07237	0.3
199.85780	0.2
209.08119	0.6
209.15469	0.3
211.02501	0.8
253.03508	0.2
271.04651	0.8
313.05646	1.6
316.81104	0.2
503.20160	0.2
523.21814	100.0
524.22162	11.2
540.24921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.6057
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	1.3
69.27384	4.2
71.01380	12.8
73.02944	2.0
83.01404	1.5
83.05006	0.7
84.02158	1.8
85.02948	3.1
85.36880	0.6
87.00873	2.3
89.02440	10.7
90.60821	0.6
95.01368	0.6
97.02956	2.8
97.06602	5.1
99.04515	1.0
101.02444	9.1
108.05906	0.6
113.02431	4.7
118.52673	0.5
119.03476	2.8
125.02457	3.6
125.09712	1.1
131.03542	0.6
137.09636	0.8
143.03487	1.6
161.04527	1.8
166.78198	0.5
169.05040	0.7
171.10257	10.8
179.05602	1.8
193.12332	6.3
194.12645	0.7
211.13420	1.7
221.06610	1.0
225.14955	9.4
235.08142	2.7
243.15965	3.9
253.14679	0.9
255.23299	28.7
256.23630	1.9
287.07645	1.4
291.19687	1.3
305.08780	0.8
323.09970	0.6
323.22153	1.0
323.72327	0.7
341.23306	100.0
342.23587	7.3
379.12479	1.5
397.13486	37.2
398.13702	1.9
415.14511	8.5
579.46069	2.2
653.37341	2.2
654.37311	0.6
657.30139	0.6
721.36829	2.7
739.37695	2.3
768.85217	0.7
869.39343	0.7
924.23291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.421
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18350	1.0
69.18767	2.4
70.02982	0.8
71.01399	0.3
72.00921	1.4
74.02476	10.7
75.68655	0.3
82.02991	1.6
83.02524	0.3
84.00909	1.1
84.04542	0.7
85.04072	1.6
86.02499	0.3
87.05635	3.0
88.04041	0.8
88.98759	0.4
93.03461	0.8
95.02505	0.4
96.34029	0.3
96.96003	0.3
97.00452	0.8
97.04081	1.4
98.01215	4.6
98.02493	1.0
99.02003	0.9
99.05654	1.8
101.07211	2.2
103.85082	0.3
109.04058	0.8
110.02486	0.7
110.06126	0.6
111.01991	0.7
112.00426	1.5
112.04047	0.7
113.03568	5.6
113.07207	1.7
115.05151	1.4
115.08777	2.2
116.05065	18.0
117.05379	0.4
118.77905	0.3
119.05032	11.6
120.05367	0.6
124.03962	0.4
125.02460	0.7
125.03580	0.5
125.07269	0.6
127.05124	6.3
128.03574	0.4
130.06595	0.9
131.05045	0.8
134.06116	0.5
136.04066	0.4
137.03606	0.9
137.07222	1.0
139.05147	0.6
140.02254	0.7
141.03085	2.2
141.06705	63.8
142.06613	4.9
145.06186	5.8
146.06148	1.4
151.00406	0.3
153.06676	1.1
154.07462	0.7
154.09868	0.5
155.08292	0.5
156.08122	0.5
157.07680	0.7
159.09262	4.1
163.03976	0.5
163.08678	0.7
169.01460	1.2
169.06192	0.7
170.09381	0.6
171.04114	1.2
172.07686	1.2
174.09251	0.7
178.06163	0.5
179.04619	6.8
180.06665	1.7
182.09291	0.4
183.03001	0.4
184.11017	0.3
186.05589	1.2
194.09320	0.9
197.11829	0.4
200.07164	2.8
203.08258	20.1
204.06685	1.1
204.08505	0.6
206.09319	2.2
207.07713	2.5
209.11806	0.3
212.10335	0.9
213.10376	0.5
217.09746	3.0
221.09303	1.0
224.10419	2.5
225.10358	0.8
228.11395	0.5
230.04594	3.6
230.13002	0.9
231.11409	2.3
243.11378	0.6
245.12950	0.6
247.07243	1.1
247.10909	0.7
255.15065	1.4
262.15640	0.8
274.11929	5.6
275.10275	2.2
288.13623	0.6
298.15829	0.4
300.09933	0.6
305.12350	0.4
342.14719	0.6
343.88776	0.4
360.17017	2.0
373.18692	0.7
388.15146	3.2
391.19748	0.5
404.16150	4.0
405.16446	0.4
417.17764	1.9
429.17798	8.6
430.18146	0.9
455.15732	11.5
456.15942	1.3
469.55588	0.4
520.25684	3.0
546.23572	100.0
547.23859	11.6
605.27209	8.4
606.27502	1.0
768.33911	3.8
946.41064	2.1
947.41833	0.4
948.42383	0.6
976.42163	6.4
977.42169	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	975.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	35.5
71.50529	6.5
72.99303	5.1
73.02969	5.2
83.01392	7.2
83.05021	6.3
85.02940	10.8
87.00869	8.1
88.98803	18.6
89.01962	6.1
89.02427	34.2
96.96021	27.1
97.02946	18.2
99.00903	6.9
101.02424	25.7
103.37473	4.5
109.06574	22.9
113.02425	15.6
117.92954	4.8
119.03480	11.9
123.00864	6.2
125.02412	26.5
125.09751	7.4
131.03505	4.9
142.02666	8.0
163.11290	28.4
163.29007	4.3
169.01402	10.8
171.10204	7.5
179.05588	7.7
181.12302	8.0
197.11835	28.1
199.13481	6.3
207.10291	66.4
208.10631	5.7
208.37833	5.0
209.11813	100.0
211.13307	9.5
212.65880	5.4
225.11322	32.7
227.12917	14.7
235.08270	6.4
245.18942	6.5
287.16528	4.9
289.18179	26.6
291.19775	24.1
300.99860	8.2
307.19205	37.6
309.20734	61.2
375.75763	5.7
397.13672	55.1
415.14694	24.9
605.24792	7.9
756.97760	5.5
897.44592	8.1
915.45831	54.4
916.46039	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	976.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99648	100.0
79.71987	18.9
82.87513	17.7
104.40556	21.3
290.03168	23.7
306.60510	21.3
334.72351	19.8
357.29041	22.1
463.93176	21.9
574.06732	22.2
605.76471	21.8
642.90796	22.1
727.84448	22.3
813.49750	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	977.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
69.18211	1.5
71.01372	10.0
71.50944	1.8
72.99324	1.8
73.02955	1.6
75.00883	2.4
81.03460	1.9
83.05032	3.9
87.00862	1.5
88.98824	1.7
89.02444	8.9
91.04208	1.6
93.33808	1.8
95.01437	1.5
97.02942	3.2
101.02449	5.8
102.20898	1.6
111.00908	1.5
111.08151	3.8
113.02470	2.9
113.73060	1.7
116.92826	1.6
119.03487	3.2
125.02445	7.3
126.11433	1.5
135.03030	1.6
163.11279	5.8
165.12839	5.0
169.01431	4.6
169.12376	1.9
171.10246	2.1
179.05589	2.7
191.10625	1.9
197.11813	18.2
199.13416	2.8
209.11821	100.0
210.12254	3.6
211.13394	4.4
223.13228	1.5
227.12903	14.4
235.08296	5.0
237.14923	2.3
253.09303	6.3
291.19659	16.2
300.99716	1.9
309.20685	51.7
309.24240	3.0
310.20923	1.8
341.23483	3.6
369.16553	1.8
369.26398	6.0
379.12518	3.0
397.13486	20.9
415.14587	5.3
445.21112	2.2
468.55066	2.3
574.91656	2.0
607.25977	2.6
707.34613	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	977.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03469	3.6
71.01385	94.2
71.52676	1.0
72.01707	1.2
72.99315	4.3
73.02950	98.9
74.03248	1.1
75.00875	2.1
81.03455	1.2
81.44650	0.5
83.01392	36.4
84.01695	0.7
85.02954	13.0
86.03303	0.6
87.00863	2.8
89.02449	19.5
93.03450	0.6
95.01382	3.5
96.96029	0.6
97.02946	2.8
99.00938	2.5
99.04565	0.6
101.02450	100.0
102.02798	1.8
107.01404	0.7
109.02956	0.7
111.00900	0.9
113.02454	33.9
114.02804	0.7
117.01925	0.6
119.03503	13.4
119.04896	0.6
121.03009	0.6
123.00906	2.0
124.01649	0.5
125.02454	9.6
128.03441	0.6
131.03514	11.9
132.33601	0.5
135.01051	0.6
137.02460	1.8
140.01205	0.5
143.03516	10.7
143.04620	1.3
147.03027	0.9
149.04561	22.5
150.04900	0.6
151.00365	1.3
155.03520	4.3
159.02982	0.8
161.04561	34.3
162.04895	1.2
164.90614	0.5
168.00641	0.9
169.01437	5.8
183.03018	0.5
184.48491	0.5
189.12857	0.7
191.05563	1.1
196.77254	0.6
201.14874	0.9
203.05618	6.7
211.02449	4.9
211.92749	0.6
221.06668	11.2
222.06918	0.7
270.59998	0.6
271.04620	6.1
306.07623	1.5
307.07867	0.8
319.17596	0.6
356.48602	0.7
359.28119	3.3
503.32227	0.7
521.21118	9.4
521.33289	43.0
522.33527	4.2
577.11169	0.7
673.22174	0.9
696.22577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	2.9
69.19814	10.9
69.20168	1.6
71.01382	79.7
72.99316	2.9
73.02946	82.3
73.17025	1.2
75.00851	1.5
83.01390	28.6
85.02947	8.5
87.00881	2.9
89.02437	15.1
93.03461	59.1
94.54700	1.1
95.01380	3.3
96.95996	2.0
97.02940	1.9
99.00900	1.9
101.02441	78.8
107.01393	1.9
109.00177	1.1
109.02957	1.5
113.02454	27.9
116.92819	1.4
117.01769	1.0
119.03521	9.2
120.20715	1.1
121.02953	2.0
122.03766	2.6
123.00875	2.3
123.04484	1.6
125.02451	11.8
131.03514	9.5
134.73164	0.9
137.02443	100.0
138.02763	2.5
143.03482	7.5
149.02473	6.4
149.04564	13.4
149.23526	1.1
150.03239	16.6
151.00455	1.4
151.03996	2.3
155.03520	4.0
161.04550	26.6
165.01823	1.4
165.05550	14.9
166.02759	1.9
169.01434	10.5
175.04060	1.6
191.05460	1.3
195.06612	6.0
203.05537	2.9
221.06619	6.8
230.19893	1.3
284.03235	1.3
290.34756	1.1
299.68823	1.1
300.99957	2.6
336.22153	1.1
415.20972	1.1
417.15146	1.7
447.09448	1.2
469.05145	3.9
469.55389	1.5
515.17719	23.0
516.18164	2.8
565.20892	3.8
613.22504	1.4
761.28491	2.8
809.30310	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	971.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
67.96266	0.4
69.03429	0.3
71.01405	0.4
71.51368	0.5
71.51727	0.3
74.65968	0.3
79.05472	0.4
89.03957	0.6
93.03466	0.5
95.01386	0.9
100.38217	0.3
105.03491	0.8
107.01398	0.6
107.04986	0.4
109.02957	0.8
111.00843	0.4
115.05545	0.4
117.03461	1.2
119.05011	1.1
121.02955	0.8
121.06629	0.5
123.00916	1.6
123.01659	0.3
123.37439	0.3
124.01636	1.1
125.02436	4.6
129.03427	0.4
131.05026	1.1
133.02960	0.9
135.04495	1.3
137.02438	2.0
145.02942	3.1
147.00819	0.4
147.04521	2.9
148.01585	0.3
149.02461	1.9
149.06058	0.8
151.00331	0.5
151.03981	0.6
157.02989	1.5
158.03650	0.5
159.04532	3.2
161.02383	1.6
161.06075	1.0
163.00336	1.2
163.03987	2.6
164.01163	1.4
165.01903	0.7
169.01433	4.7
173.02380	2.7
174.03033	0.5
175.04004	5.8
176.01111	0.6
176.04303	0.7
177.01967	1.9
177.05669	1.7
179.07146	0.4
179.22090	0.4
185.02425	3.4
187.03951	1.7
189.01964	2.5
190.02753	2.1
190.80643	0.3
190.99831	0.9
191.03516	3.3
192.00739	0.4
193.01373	3.9
193.05045	0.4
200.01208	0.5
201.01907	4.4
202.02512	0.5
203.01611	0.4
203.03513	8.8
204.03912	1.4
205.01451	0.9
205.05066	4.6
213.01909	0.7
216.00652	0.4
217.01454	2.0
218.02083	0.6
218.99359	0.8
219.02913	1.6
221.04539	2.6
228.00667	0.4
229.01376	7.1
230.02051	0.4
231.02937	6.8
232.03499	0.4
236.09105	0.3
237.00403	1.7
242.99426	0.4
244.00131	0.4
245.00874	4.9
246.01369	0.8
247.02460	7.5
248.02916	1.5
249.04037	5.5
257.00873	7.8
258.01697	1.7
261.00266	0.6
270.99036	0.4
271.99545	0.5
273.00418	4.5
274.01151	1.8
275.01950	24.4
276.02277	1.0
283.99561	3.3
285.03995	0.4
291.01392	1.3
293.03064	2.3
298.98227	0.6
299.99078	5.6
300.99869	100.0
302.00223	6.9
303.00449	0.6
313.05438	0.4
319.00797	3.0
337.01971	4.5
343.00867	1.1
437.07098	1.8
463.05191	4.2
464.05801	0.4
481.06183	0.9
610.68433	0.4
633.07220	5.0
634.07605	1.3
635.08069	1.3
645.46667	0.4
659.11652	0.4
713.08966	0.4
739.07892	0.8
765.05865	1.1
783.07019	0.4
853.06384	0.5
869.06842	0.4
909.10248	2.3
910.10333	0.7
935.07892	9.3
936.08112	2.0
953.08948	7.8
954.08691	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41856	1.1
69.42282	1.3
70.52335	0.4
71.01386	0.4
77.35097	0.3
91.01910	2.8
96.95983	0.6
103.47664	0.3
109.02964	3.6
121.02956	1.7
121.37083	0.3
125.02467	0.4
134.99919	0.6
135.00893	7.1
137.02472	0.5
149.02487	0.4
151.00378	0.5
153.01926	4.2
157.80833	0.3
163.00304	0.4
165.01932	6.5
169.01453	0.6
173.63817	0.4
193.01447	1.1
199.04012	0.7
215.03502	0.5
226.02757	0.5
227.03485	1.5
235.93333	0.3
243.03015	2.8
254.02182	1.0
255.02965	1.4
256.03888	0.3
259.05975	0.5
269.04596	1.5
270.01514	0.5
271.02478	27.4
272.02924	2.2
284.03305	0.4
285.03882	1.7
287.05585	1.0
299.01971	46.9
300.02576	7.0
314.04330	56.5
315.05057	32.2
315.08914	0.7
316.05652	1.7
339.03375	0.6
339.07214	8.3
340.07513	0.6
477.10391	100.0
478.10709	10.8
654.73718	0.3
718.67328	0.4
950.28516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97604	2.6
71.01012	2.6
71.01380	36.7
72.99288	2.6
73.02944	3.0
78.95856	1.6
79.08189	1.3
80.02692	1.8
80.91693	2.1
81.03461	4.5
83.01381	3.3
83.05013	6.2
84.02159	1.7
85.02946	5.7
87.00860	5.7
89.02440	26.6
95.01360	2.4
95.05047	2.0
96.96009	3.5
97.02932	6.7
97.06599	2.6
99.00825	3.4
101.02447	22.7
109.06591	13.0
109.14454	1.5
111.08137	3.2
113.02461	13.0
115.91018	1.7
116.92819	3.2
119.03500	9.6
121.02959	1.9
123.00845	3.0
123.04520	2.0
125.02439	9.4
125.09709	3.0
135.08138	2.2
141.61975	1.8
143.03482	6.0
161.04527	4.9
163.11273	11.9
164.42410	1.6
165.12842	3.2
169.01413	2.8
171.10231	5.2
179.05589	11.6
181.12340	3.3
183.02945	4.6
185.11847	3.4
191.10800	1.8
191.14362	1.7
197.11833	22.6
201.11192	3.2
205.12257	1.8
207.10257	34.2
209.11815	100.0
210.12152	4.8
211.13362	7.2
217.07054	1.5
220.14574	7.7
221.06638	4.8
221.15399	16.3
222.15764	7.6
225.11316	29.9
227.12862	24.5
228.13087	1.8
235.08195	6.0
236.10503	13.6
237.10860	5.9
245.19035	5.6
253.09402	1.9
263.07608	3.5
263.20108	2.1
289.18103	26.1
291.19632	9.2
293.17447	5.6
293.20944	2.5
294.17883	4.0
305.08749	1.7
307.19150	31.3
308.19611	2.8
309.20700	42.2
310.21097	3.5
327.21695	1.6
341.22983	1.7
379.12357	2.3
397.13489	50.3
398.13806	2.9
415.14557	18.4
469.05341	1.7
580.56256	1.7
605.24341	1.7
607.26111	2.4
623.25598	7.8
671.37878	1.7
707.34052	1.5
841.35938	2.5
883.37537	2.4
897.46417	1.7
915.46124	15.6
916.46289	6.2
969.44592	8.9
970.45984	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	969.083
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34924	1.8
69.35332	0.5
71.01371	0.7
74.64364	0.3
79.05502	0.4
85.02936	0.4
86.25018	0.3
91.05540	0.7
93.03465	0.7
95.01398	1.0
97.41602	0.3
99.00882	0.8
102.04728	0.3
103.05548	0.4
105.03465	1.6
106.69040	0.3
107.01398	0.5
107.05050	0.5
108.02189	0.4
108.73366	0.3
109.02950	1.7
111.00842	0.4
115.05514	0.4
117.03452	0.9
119.05019	3.6
121.02953	0.8
121.06602	0.6
123.00904	1.8
123.04498	0.5
124.01625	0.4
125.02455	6.0
129.03467	0.5
130.04211	0.7
131.04997	1.7
133.02956	0.6
134.03767	0.4
135.04491	1.1
137.02458	2.5
137.06100	0.5
145.02940	2.8
146.03725	0.3
147.00830	0.3
147.04530	6.9
149.02399	0.8
149.06087	3.1
151.03987	0.5
153.01910	0.3
157.02931	0.9
158.03719	1.1
159.04546	3.6
160.01643	0.4
161.02461	1.6
162.03162	0.8
163.00377	0.9
163.04019	2.1
164.01167	0.7
165.01872	1.0
165.05536	0.7
169.01427	6.0
173.02419	2.9
174.03139	0.8
175.03996	23.2
176.01054	0.4
176.04523	0.5
177.01962	1.8
177.05550	7.1
185.02414	2.7
187.00356	0.3
187.03969	0.5
189.01894	1.9
190.02658	0.8
191.03510	9.8
191.05351	0.6
193.01414	1.5
193.05048	2.6
200.01254	0.3
201.01920	4.0
202.02612	0.7
203.03496	27.3
204.00446	0.4
204.03761	1.2
205.01419	1.8
209.00856	0.5
209.08134	0.5
213.01884	0.7
214.02524	0.4
216.00493	0.4
217.01434	2.0
218.02151	0.3
219.02960	4.0
220.03645	0.5
221.01067	0.5
221.04568	5.2
227.03499	0.4
228.00291	0.4
229.01399	6.6
230.01938	0.4
231.03020	2.1
232.00104	0.5
233.00763	0.4
235.02419	0.7
237.00348	0.4
237.04025	1.9
241.00832	0.4
244.00151	0.6
245.00899	5.1
246.01453	0.5
247.02457	42.8
248.02805	2.7
249.04022	2.8
257.00919	4.8
258.01578	1.2
265.00870	0.3
265.03525	6.2
270.98856	0.8
273.00372	5.1
274.01178	1.4
275.01962	12.9
276.02277	0.7
277.20956	0.3
281.03101	0.7
283.99545	3.1
291.01459	6.3
292.01953	0.5
298.98285	1.1
299.99124	4.6
300.99875	100.0
302.00198	6.0
307.00970	0.4
309.02383	1.4
313.05783	0.4
315.01401	0.9
316.99408	0.7
317.02823	0.5
319.00888	0.3
335.00488	1.4
343.00717	0.6
385.01871	1.0
391.06711	0.4
401.05569	0.4
409.07748	3.6
410.08170	0.4
419.05984	0.9
423.10010	0.3
425.07135	0.4
437.07132	0.4
445.04205	1.7
453.06702	1.1
463.05191	4.2
499.14795	0.3
531.79022	0.3
615.06335	0.4
633.07367	5.0
634.07501	0.6
711.08331	4.0
712.08276	0.5
755.07025	1.5
817.10309	1.1
838.13800	0.3
881.10150	0.8
897.10425	0.7
907.08026	0.7
925.09583	1.9
951.06903	0.8
952.08630	0.4
969.08881	1.8
970.08990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99561	0.5
69.03454	0.4
71.01385	7.3
72.99310	0.5
73.02938	0.7
78.95895	0.4
79.37942	0.2
81.03468	0.5
81.26480	0.2
83.01380	0.6
85.02947	1.7
87.00871	1.8
89.02444	6.3
95.01389	0.7
96.96015	1.8
97.02946	0.9
99.00878	0.5
101.02444	5.0
111.00875	0.2
111.08175	0.4
112.35078	0.2
112.98528	0.5
113.02451	2.5
113.09669	0.3
119.03503	1.7
125.02457	2.1
127.07620	0.2
131.03522	0.4
137.02422	0.2
143.03490	1.1
149.04584	0.2
152.99686	0.4
153.47766	0.2
161.04597	1.4
167.10773	0.3
176.13930	0.2
177.12836	0.3
179.05611	2.0
179.14371	0.9
181.12357	0.3
193.90475	0.2
195.12100	0.4
195.13892	7.3
196.14467	0.7
205.12369	0.7
205.16029	0.4
209.11671	0.2
211.13348	0.5
212.12230	0.2
221.06667	0.6
223.13380	5.0
224.13998	0.3
225.14828	0.4
228.13666	0.8
229.39912	0.2
231.21158	0.6
235.08206	2.0
249.22241	0.4
253.09331	0.4
255.23318	0.4
256.13159	1.3
265.21735	0.5
275.20148	5.0
276.20383	0.4
277.21759	0.3
283.01511	0.2
287.07706	0.7
293.21219	100.0
294.21558	6.9
294.24161	0.2
303.30557	0.2
305.08795	0.8
309.20859	0.2
317.21405	0.3
323.09695	0.5
379.12454	0.8
397.13489	15.6
398.13766	0.7
400.68665	0.2
415.14539	9.3
416.14957	0.5
569.42090	1.6
570.42883	0.3
673.34796	0.7
691.35449	2.4
928.29675	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.4
68.88456	0.3
69.03454	2.0
71.01379	20.9
72.99287	1.8
73.02954	3.3
75.00883	0.5
81.03467	1.2
83.01377	2.3
83.05037	1.0
85.02946	4.5
87.00875	4.8
87.04525	0.4
89.02444	18.7
91.04024	0.5
95.01392	1.2
95.05051	0.5
97.02950	3.5
97.06560	0.4
99.00891	1.3
99.04498	0.7
101.02441	14.6
109.02964	0.4
109.06571	0.9
111.04503	0.6
111.08157	9.5
113.02453	8.4
115.04023	0.6
116.92845	0.5
119.03489	5.2
125.02437	6.4
125.09686	0.4
127.07653	1.0
131.03462	0.9
139.03993	0.6
143.03505	3.0
145.05127	0.5
149.04494	0.5
151.11247	0.9
153.12857	0.8
161.04526	4.6
167.03545	0.4
169.12326	4.0
171.10248	1.1
172.68344	0.5
177.12773	0.3
179.05611	6.0
181.12349	1.4
183.13914	0.8
184.45372	0.3
193.12256	0.5
197.11821	49.8
198.12157	2.0
199.13422	2.2
203.05646	0.4
209.11757	0.7
209.15439	0.6
211.13402	7.0
217.07202	0.9
221.06668	2.5
221.11821	1.7
223.17087	0.4
225.15018	1.2
227.12961	1.3
229.19286	0.4
235.08215	6.6
239.12885	1.3
251.16495	0.9
252.40269	0.4
253.09198	1.3
255.23280	1.8
263.07608	0.6
263.20154	3.3
265.18051	1.4
273.18570	1.4
277.21707	50.8
278.22061	3.2
279.23325	0.6
287.07697	1.4
291.19647	20.5
292.20078	0.8
293.21155	0.6
305.08835	2.3
309.20694	100.0
310.21085	5.5
323.09790	1.4
329.23203	0.9
330.23694	0.5
333.20639	0.4
379.12402	3.8
397.13480	43.7
398.13934	2.4
415.14526	16.7
416.14896	0.9
418.58850	0.4
468.97748	0.4
569.42194	0.7
619.06671	0.5
675.35809	0.9
689.33990	1.8
707.35004	1.8
766.72644	0.4
875.49127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.491
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29648	23.0
69.30075	46.1
71.01388	41.2
78.95905	18.6
79.95760	16.6
80.96516	15.8
87.00914	8.2
96.96011	100.0
96.96966	11.0
113.16866	8.0
125.02438	15.5
129.70686	8.2
146.80695	8.3
154.50787	8.0
169.01414	14.9
171.10280	13.0
201.11322	9.0
209.11789	32.3
284.47452	9.2
341.23413	22.7
342.23837	9.9
397.13342	16.8
400.31845	9.3
441.74344	8.5
775.09259	8.3
921.79700	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	967.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	2.0
70.76688	1.7
70.77023	2.2
71.01385	17.1
73.02964	2.0
81.03451	3.0
83.01390	2.6
83.05025	5.9
85.02953	7.5
87.00394	1.0
87.00884	4.9
88.98798	1.3
89.02451	15.9
95.01382	1.8
96.96026	14.2
97.02961	3.8
97.06595	4.2
99.00867	1.7
99.92567	1.5
101.02457	14.4
113.02436	6.1
116.92892	6.8
119.03500	6.2
121.02955	3.6
125.02466	8.0
125.09763	2.0
127.11324	2.1
137.09738	1.9
141.39177	1.2
143.03528	1.8
161.04567	5.2
163.11270	5.3
165.12776	3.1
169.01442	4.1
171.10280	26.2
179.05634	5.3
181.12259	1.7
183.13948	2.1
185.58981	1.2
193.12405	2.7
201.11348	11.1
209.11810	81.0
210.12178	4.1
211.13379	15.6
221.06601	2.0
221.11856	4.0
225.15047	2.0
227.12996	7.1
229.14429	10.3
235.08153	4.1
291.19672	4.6
309.20734	9.7
312.87918	1.4
327.21771	100.0
328.22150	8.1
341.23340	24.8
342.23669	4.2
397.13492	41.5
398.13916	3.5
415.14566	20.9
519.33582	1.5
607.25946	5.4
652.99768	1.5
656.57184	1.6
707.35468	6.7
708.34644	1.6
725.35687	6.4
804.26733	1.6
967.47119	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	965.4966
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	3.6
70.51432	3.8
71.01387	60.1
72.99305	5.3
73.02960	4.7
80.02705	2.3
80.66457	1.6
81.03465	4.9
83.01395	6.6
83.05028	8.8
85.02948	9.4
87.00888	7.0
88.98795	1.9
89.02451	27.6
92.09692	1.4
95.01398	5.2
95.05013	2.3
96.96017	3.6
97.02961	9.6
97.06583	4.6
99.00897	5.8
101.02444	21.7
109.02950	2.4
109.06597	10.1
111.00889	2.5
111.08174	4.7
113.02464	13.1
116.92884	4.7
119.03501	8.9
121.02982	2.8
123.00900	5.1
123.04517	2.3
125.02450	16.5
125.06026	1.7
125.09731	5.2
129.01938	5.8
134.01828	1.7
135.08168	2.5
137.09860	1.8
139.07643	1.9
142.02527	1.8
143.03485	6.2
158.73367	1.5
161.04549	6.1
161.09717	2.3
163.11241	14.5
165.12846	5.9
166.99821	5.3
167.10838	2.2
169.01436	9.1
169.12355	2.1
171.10263	15.3
175.02432	2.0
179.05627	5.7
179.10825	2.1
181.12344	7.0
183.13789	1.7
185.11873	4.0
191.10822	2.4
191.14395	3.4
197.11836	24.6
199.13377	3.8
201.11330	8.0
205.12398	2.4
207.10266	25.6
209.11839	100.0
210.12137	4.2
211.13478	8.5
214.42802	1.6
215.12987	2.0
221.06631	3.4
225.11316	30.9
226.11761	1.8
227.12860	16.7
235.08238	7.3
243.12453	4.9
245.19035	4.7
253.09380	3.0
263.20096	4.1
289.18146	18.9
291.19705	13.3
292.20584	1.8
300.99786	5.9
307.19208	22.1
308.19653	2.4
309.20746	42.5
310.21158	4.3
325.20224	1.8
341.23288	4.9
379.12555	3.0
384.88504	1.7
397.13504	41.6
398.13754	4.6
415.14462	14.9
468.54575	2.5
623.25635	4.0
849.37537	4.4
915.45477	11.9
916.46674	3.5
933.46832	3.7
965.49048	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	965.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	3.0
71.01383	74.2
71.50895	1.6
72.99300	1.5
73.02948	3.7
78.95905	3.5
79.95730	1.1
81.03452	2.8
83.01391	3.1
83.05022	3.6
84.02171	3.0
85.02956	5.3
87.00883	7.6
88.98800	2.6
89.02446	17.2
95.01377	3.4
95.04998	1.2
96.96014	20.1
96.96954	1.3
97.02932	4.1
97.06603	8.1
99.00873	2.6
99.04537	1.5
101.02451	15.9
107.01301	1.2
109.06575	5.0
110.03735	1.1
111.04491	1.8
111.08178	2.0
113.02444	9.6
115.67550	1.0
119.03493	4.6
123.00894	1.8
125.02475	6.2
125.09690	4.5
127.11259	2.9
129.01944	1.2
131.03494	1.4
143.03494	1.5
155.10779	1.8
161.04527	4.7
163.11285	7.8
165.12830	2.2
169.01408	3.9
171.10272	28.0
179.05588	4.2
181.12312	1.7
185.11795	1.7
189.09193	1.2
193.12277	9.5
197.11823	2.1
201.11331	15.3
207.10249	17.5
209.11809	27.7
210.12212	1.7
211.13379	5.2
215.12923	1.9
220.68480	1.2
223.13454	1.7
225.11331	26.4
225.14882	14.6
226.11835	2.2
227.12808	3.7
235.08171	4.4
235.10439	1.2
241.14485	6.9
243.12338	2.8
243.15912	5.8
253.09200	2.1
300.99887	2.8
305.08817	1.9
341.23312	100.0
342.23615	7.4
379.12277	1.5
397.13507	25.2
398.13745	2.4
410.30997	1.3
415.14651	13.4
439.14725	1.6
495.33368	2.0
605.24652	3.6
623.25482	4.5
721.36670	1.8
929.46997	1.5
947.48669	9.6
948.48370	2.8
965.49146	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	965.0901
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01875	0.2
69.67289	0.8
79.01881	0.3
85.02943	0.3
89.03996	0.3
93.03472	0.3
95.01397	1.4
95.36197	0.2
98.20695	0.3
99.00890	0.2
105.03448	0.4
107.01396	0.3
117.03476	1.5
119.05029	0.4
121.02969	0.5
123.00892	2.5
125.02465	2.9
125.82879	0.2
129.03452	0.8
132.02185	0.5
133.02937	1.3
135.00829	0.3
140.41690	0.3
143.01385	0.3
145.02956	4.3
147.00813	0.3
147.04535	1.2
149.02422	0.5
151.00371	0.6
157.02980	1.2
158.03732	0.3
159.00848	0.3
159.04539	0.7
160.01654	0.5
161.02443	4.1
162.03285	0.6
163.00378	0.5
163.04015	1.8
165.01930	0.4
166.99805	0.9
169.01427	3.9
169.02820	0.3
171.00879	1.1
171.04527	0.4
172.01643	0.5
173.02428	4.2
174.03091	0.4
175.00356	0.3
175.03989	1.6
176.01141	0.3
177.01894	1.5
177.05638	0.3
178.99841	0.8
179.03444	0.3
185.02464	2.4
187.00404	1.3
187.03964	0.4
188.01105	0.5
189.01939	4.7
190.02690	2.5
190.37744	0.3
190.99895	0.4
191.03447	1.6
193.01329	0.3
199.00372	1.0
200.01134	0.9
201.01918	4.6
202.02495	0.4
203.03477	2.8
205.01413	0.9
213.01921	0.9
213.05571	0.3
214.02739	0.5
214.99886	2.0
215.03436	0.3
216.00552	1.6
217.01414	6.8
218.02115	1.0
219.03035	1.2
223.03821	0.4
226.99899	1.2
228.00624	1.2
229.01398	7.1
230.01915	0.7
230.99347	0.5
231.02946	2.3
233.00854	0.6
233.04552	0.3
242.99352	2.9
243.03011	0.5
244.00093	2.1
245.00903	9.6
246.01505	0.9
247.02472	2.4
248.03152	0.5
249.04048	2.3
254.99367	0.6
255.03033	0.6
256.03604	0.3
257.00906	4.2
258.01627	1.1
259.02493	0.4
259.99496	0.4
261.00351	1.8
270.98874	8.2
271.02084	0.6
271.99564	1.2
273.00424	12.2
274.00925	2.1
275.01962	10.2
276.02362	0.5
277.03381	0.4
283.02484	0.3
283.99677	2.5
285.00134	0.6
287.02011	0.9
289.00009	0.5
291.01416	0.8
297.00055	0.3
298.98325	9.0
299.01657	0.3
299.99106	5.3
300.02695	1.0
300.99887	100.0
302.00250	5.4
303.01419	0.8
305.02972	2.3
315.01297	0.5
316.99469	1.3
331.00916	1.6
343.00903	0.4
349.02008	3.0
405.04587	0.4
433.04047	0.7
443.02798	0.7
445.04117	1.5
461.03583	2.2
463.05045	1.4
493.06491	0.7
546.18713	0.3
609.14758	1.1
613.04706	0.9
631.06403	0.3
765.06433	0.5
915.05737	0.6
933.06348	8.4
933.25037	0.4
934.07184	1.8
965.09241	5.1
966.09930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97464	34.7
71.01387	56.5
73.02917	18.7
85.02990	23.1
87.00868	20.2
89.02447	20.2
100.41774	15.9
101.02443	28.9
113.02461	26.1
119.08674	23.2
121.02967	45.0
125.02399	22.6
174.96367	19.0
209.04524	26.7
211.13463	100.0
212.13693	30.5
213.14041	27.9
216.44609	16.4
235.08150	24.3
277.21732	78.0
278.22083	33.9
289.18036	22.4
307.18982	26.0
327.21909	23.3
397.13599	64.5
398.13876	43.4
399.14481	22.3
946.51807	24.2
947.52924	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	964.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	42.1
71.50806	10.4
75.82636	7.2
80.96479	9.6
85.02979	17.2
87.00867	15.0
87.14207	9.1
89.02448	44.9
101.02470	27.5
101.71756	8.1
113.02437	18.5
117.07111	16.6
119.08701	13.6
125.02477	14.6
135.08151	21.6
145.11453	8.1
146.78159	8.3
149.66013	8.4
171.10252	46.6
179.05618	10.6
211.13370	50.7
212.13742	24.2
255.23262	10.2
277.21741	100.0
278.22028	22.7
289.18121	28.4
305.17767	11.8
307.19168	37.0
321.37234	8.3
379.12354	10.8
397.13608	84.0
398.13696	15.1
399.13986	10.6
415.14679	23.1
614.71082	9.2
677.32587	10.3
749.93439	9.8
946.52783	22.8
947.53717	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.0898
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01382	1.1
117.03467	1.6
119.05025	0.6
123.00857	2.2
125.02441	2.6
126.94268	0.3
129.03416	0.4
131.01414	0.4
132.02229	0.4
133.02998	1.6
137.02437	0.4
137.10367	0.3
145.02972	4.0
147.00859	0.6
147.04494	0.9
157.02914	1.4
159.04465	0.9
161.02426	3.6
162.03140	0.5
163.00331	0.5
163.04018	1.5
166.99835	1.3
169.01422	2.4
171.00877	0.9
172.01646	0.4
173.02446	3.8
175.03986	1.2
177.01871	0.6
185.02403	2.4
187.00351	0.9
187.03978	0.3
188.01147	0.4
189.01903	4.3
190.02739	1.8
191.03470	1.2
199.00359	0.5
200.01129	0.7
201.01926	4.5
202.02448	0.4
203.03506	1.8
205.27243	0.3
213.01826	0.7
214.99861	1.4
216.00647	1.3
217.01424	6.4
218.01967	0.8
219.03006	0.7
223.54617	0.3
226.99950	0.7
228.00684	0.8
229.01404	7.2
230.02074	0.7
231.02933	1.7
233.00807	0.5
242.99249	2.5
244.00064	1.5
245.00903	12.3
246.01479	0.7
247.02438	1.5
249.04105	1.8
254.99489	0.6
257.00934	3.7
258.01611	1.2
259.02515	0.4
261.00403	1.0
267.02844	0.4
270.98831	8.5
271.99377	1.2
273.00415	14.5
274.01120	1.8
275.01968	8.8
275.05026	0.4
276.02368	0.5
277.03690	0.5
283.02570	0.4
283.99643	2.3
285.00345	0.3
288.99933	0.5
291.01361	0.9
298.98352	10.3
299.99094	5.4
300.99887	100.0
302.00226	6.4
303.01746	0.4
315.01575	0.5
316.99390	1.4
331.01102	0.6
343.00952	0.4
349.02087	1.1
359.03857	0.3
401.23306	0.3
417.04938	0.5
433.03903	0.5
435.04892	0.4
443.02686	0.5
445.04404	1.5
461.03522	2.5
463.05145	2.0
472.41818	0.4
493.06204	0.4
569.05823	0.5
578.98004	0.4
613.04541	1.0
615.06323	0.4
719.99396	0.3
763.04675	0.5
765.06268	0.5
834.88330	0.3
915.05194	0.5
933.06458	8.0
934.07074	1.6
965.08923	4.3
966.09772	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	964.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	100.0
79.40169	11.4
80.96526	18.8
87.00903	17.7
89.02467	15.3
95.01398	15.9
101.02395	25.2
104.78624	14.9
121.02964	24.4
125.02458	44.7
166.99869	13.2
168.00592	14.1
169.01418	42.6
171.10286	26.4
197.11807	25.2
207.10359	39.3
209.04581	21.8
209.11832	37.4
216.77657	14.6
225.11319	23.9
229.26277	13.6
241.14413	16.0
291.19489	18.7
301.00027	12.8
341.23169	28.4
397.13306	23.6
613.36859	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	964.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10220	27.3
70.51320	75.0
71.01366	50.0
75.00903	30.9
78.91888	31.0
80.96540	40.4
88.98833	40.5
96.95999	64.5
98.20634	34.1
102.65996	29.6
125.02479	40.8
163.59105	25.1
171.10286	24.5
209.11769	100.0
225.11470	31.4
277.21613	73.8
303.68829	24.4
397.13593	67.2
537.40643	28.2
643.07678	26.0
886.92859	29.4
951.72388	28.7
965.44507	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4756
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	85.7
77.47446	24.9
84.26621	24.8
98.20705	40.8
116.21936	24.8
207.10217	52.7
209.11795	100.0
210.12207	30.2
211.41071	27.5
225.11310	34.0
229.11182	26.7
270.71381	26.3
277.21689	92.7
318.84601	24.1
397.13449	63.1
616.75421	26.5
616.85278	33.0
709.44916	27.4
838.02466	27.6
883.47766	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	20.5
71.52155	24.8
75.82497	13.4
78.47662	17.0
96.46326	14.9
96.96008	68.4
100.41402	14.0
123.00908	31.0
123.99931	14.0
124.01745	19.5
125.02460	93.5
169.01385	100.0
175.02319	16.6
209.11880	36.6
306.07532	41.0
344.91470	14.8
467.81714	15.5
469.05005	54.6
469.55569	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	2.7
71.01384	18.7
72.99308	1.7
73.02943	2.5
81.03462	0.9
83.01376	2.0
83.05016	0.7
85.02952	10.3
87.00871	4.1
89.02444	15.1
91.04025	0.4
95.01385	1.4
95.05004	0.5
97.02956	4.4
97.06582	1.9
98.20687	0.8
99.00890	1.2
101.02441	13.0
101.03109	0.7
109.02957	0.7
111.00874	0.6
111.04521	0.5
113.02454	6.3
116.12260	0.4
119.03495	4.1
125.02439	4.8
125.09740	0.9
127.11274	1.6
131.03458	0.7
137.09715	2.4
143.03488	2.4
148.45695	0.4
161.04555	2.5
165.12785	0.5
171.10269	26.7
172.10611	1.0
179.05629	2.9
183.13901	1.6
185.11899	0.6
193.12164	0.9
201.11308	1.2
201.50711	0.5
209.11795	1.4
211.13388	9.6
217.07310	0.5
221.06628	1.1
221.11845	1.7
229.14453	6.0
229.22609	0.6
235.08229	4.4
239.12849	1.2
253.09346	0.8
255.23283	38.7
256.23608	2.2
263.07751	0.7
269.24780	0.9
277.21695	1.0
287.07858	0.9
287.16644	0.6
291.19635	3.3
305.08746	1.7
305.17484	0.7
309.20670	8.0
310.21103	0.7
323.09784	0.6
327.21753	100.0
328.22064	6.4
379.12482	0.8
397.13507	50.2
398.13922	2.8
415.14572	15.1
416.14981	0.9
562.07355	0.4
565.44666	1.9
653.37421	5.3
707.34906	6.0
708.34991	0.8
725.35950	2.5
963.58154	1.1
964.56018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5381
Annotation	Unknow
Peak:m/z	Relative Intensity
67.80807	0.4
69.03455	1.5
70.55885	0.5
71.01382	23.0
72.99304	1.3
73.02943	2.7
78.95893	0.8
80.30379	0.5
80.91651	0.6
80.96537	0.7
81.03452	0.8
83.01376	2.2
85.02949	4.7
86.25397	0.5
87.00877	6.0
89.02446	13.6
95.01394	1.2
96.96009	2.9
97.02917	2.6
98.53306	0.6
99.00880	0.8
99.04578	0.6
101.02448	12.6
109.06577	0.7
111.00872	0.6
111.04555	1.0
113.02450	7.7
115.03979	0.6
119.03497	3.7
125.02460	7.5
131.03481	0.5
133.05042	0.8
141.01897	1.0
143.03482	2.5
149.04559	0.7
161.04532	3.7
167.14383	0.8
171.10303	0.9
179.05626	4.2
183.13895	7.1
193.12309	1.8
207.10242	2.6
209.11839	1.6
211.13388	100.0
212.13686	3.4
217.07086	0.9
221.06593	1.3
223.09801	0.7
225.11383	1.1
235.08192	5.8
253.09302	0.7
259.08109	0.8
277.21713	58.4
278.22003	3.4
287.07718	1.7
305.08829	2.5
323.09979	1.3
379.12384	14.5
380.12592	1.1
397.13495	42.0
398.13837	2.8
415.14526	8.9
575.56952	0.6
591.26581	6.8
592.27148	0.9
609.27417	5.6
610.28003	0.9
657.34698	3.1
675.35791	5.1
676.36877	0.7
869.48828	1.8
962.29919	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	2.8
71.02511	2.4
71.51780	1.3
72.00932	1.8
72.99340	2.0
73.04086	1.0
74.02474	8.4
75.00879	2.1
82.01748	1.0
82.03004	1.2
84.04548	1.2
85.04072	2.0
87.05640	3.5
88.04071	1.2
88.98820	11.5
89.02459	1.0
98.01203	1.4
98.02493	1.7
99.02026	2.0
99.05637	1.9
101.07217	3.0
105.01921	1.0
105.56753	0.9
110.01224	0.9
110.06088	1.2
113.03593	5.0
113.07204	1.0
114.51045	0.9
115.08770	7.8
116.05051	16.0
123.00896	0.9
125.02443	4.4
125.03551	3.0
125.07199	3.8
127.05126	3.4
127.08755	1.2
128.03551	1.1
130.06641	1.0
137.07178	1.8
139.05063	2.2
139.08763	1.3
141.06705	9.9
141.86337	0.9
142.06580	3.7
143.08296	1.5
145.06174	3.6
146.06099	1.8
148.07674	1.1
153.06725	9.2
154.09879	1.6
155.08310	4.3
156.07961	1.6
157.07732	1.5
159.09229	6.8
163.08774	1.3
169.01408	4.0
170.01831	0.9
170.09357	12.6
170.18283	0.8
172.07674	2.1
172.10927	3.4
179.04654	1.5
191.11932	1.1
198.08922	1.4
200.07100	4.5
201.11330	1.0
203.08267	18.0
204.08598	1.1
209.11774	1.6
217.09851	5.2
218.53781	1.1
230.12926	1.1
231.11348	4.2
265.16647	1.7
274.12073	5.6
275.10364	2.0
281.12570	4.0
283.17953	1.2
285.03998	1.1
291.80203	0.9
297.77319	1.2
300.99554	0.9
301.27682	0.9
317.16550	1.3
319.17755	3.0
327.18170	2.0
327.21924	2.3
337.18735	4.7
360.17084	6.3
377.19913	1.8
404.16196	2.2
442.21140	1.0
469.55377	1.5
491.25790	1.0
558.23560	1.7
575.26117	5.6
686.29156	1.1
688.34625	8.0
689.34607	1.6
832.82440	1.0
896.43115	100.0
897.43170	21.1
959.37421	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	961.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	1.7
69.63549	1.1
69.63953	1.7
71.01379	15.5
72.99310	1.5
73.02940	2.2
78.95903	0.6
83.01392	1.3
83.05013	1.0
85.02958	4.3
87.00878	4.2
89.02443	13.0
95.01386	1.3
96.95992	2.1
97.02956	2.6
99.00859	1.2
101.02441	11.1
102.02839	0.6
113.02459	6.6
119.03477	3.4
125.02452	4.8
131.03494	0.6
139.03961	0.6
141.01747	0.8
143.03500	2.2
155.10808	0.5
161.04549	3.3
171.10295	0.5
179.05615	4.1
183.13876	6.0
193.12326	1.6
209.11937	0.6
211.13385	100.0
212.13747	4.5
217.07147	1.2
221.06619	0.9
235.08173	4.2
245.06435	0.5
253.09155	0.8
255.23415	0.6
277.21713	46.1
278.22083	3.0
287.07773	2.1
304.35672	0.5
305.08707	2.6
323.09753	1.4
379.08170	0.4
379.12439	10.3
379.16916	0.9
397.13495	37.7
398.13727	2.2
415.14575	6.6
517.26447	0.5
591.26489	9.6
592.26898	1.2
609.27673	8.0
610.27600	1.1
657.34760	1.6
675.35925	1.9
719.23328	0.6
869.48883	1.6
964.46130	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	958.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
68.30203	32.0
72.38463	31.7
74.07582	28.5
78.19543	31.6
78.95894	31.9
80.96507	89.1
87.22690	29.3
186.60689	35.2
191.09175	34.4
209.11884	37.6
212.46912	36.6
219.23917	29.8
290.16498	38.9
304.26675	38.3
392.64606	33.0
397.13596	36.5
710.38763	100.0
762.12048	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01881	0.6
69.71541	1.7
71.01373	1.4
73.02939	0.6
79.01897	0.8
83.01385	0.3
85.02955	0.9
85.65739	0.3
87.00880	0.4
89.41973	0.3
95.01376	1.3
97.02968	0.6
97.59695	0.3
98.19997	0.5
99.00858	0.3
100.83242	0.2
101.02438	1.2
101.30368	0.2
107.01402	2.7
108.19975	0.3
110.00098	0.3
111.00894	1.4
113.02462	0.5
114.94495	0.3
123.00896	10.2
124.01683	0.5
125.02455	11.9
126.02766	0.5
127.00390	0.3
136.98773	1.0
137.02516	0.3
139.00389	3.4
140.01204	2.0
141.01941	1.4
151.00385	6.4
151.03928	0.4
153.01920	0.5
163.03966	0.3
165.09116	0.7
166.99806	0.3
167.03508	0.3
168.00639	2.1
169.01437	14.6
170.01709	0.8
191.07135	0.8
191.25560	0.3
207.87370	0.3
209.04416	0.3
209.08182	1.5
211.02513	0.8
218.10471	0.3
219.42662	0.3
243.19765	0.3
253.03418	0.4
271.04596	0.9
273.07687	0.7
313.05713	2.0
318.25867	0.3
469.05112	2.9
469.55365	1.9
523.15002	4.7
523.21832	100.0
524.15179	0.6
524.22150	12.2
525.22321	0.6
545.05621	0.4
895.11731	0.3
955.55505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.397
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	2.0
69.23849	3.8
69.24274	9.7
71.01383	45.6
71.01782	2.4
73.02951	13.7
83.01394	6.1
85.02956	20.9
85.18211	1.3
85.60004	1.3
87.00883	2.2
89.02444	11.0
95.01369	2.6
97.02931	1.7
99.00901	5.9
101.02451	32.9
113.02451	21.0
119.03490	4.3
121.02959	96.2
122.03302	3.0
123.00929	1.9
125.02455	6.4
125.26877	1.3
131.03461	1.7
137.09755	2.1
143.03467	3.5
149.04469	1.8
159.03033	2.2
159.58679	1.3
161.04541	13.2
168.00539	1.3
169.01456	5.3
183.02971	9.8
209.15448	10.6
222.22824	1.4
301.00046	1.8
335.04010	2.6
337.20102	1.6
353.19705	35.9
354.20007	2.3
371.20737	49.9
372.21024	4.1
413.21817	100.0
414.21988	9.5
499.18408	1.9
499.25659	3.2
628.60614	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	953.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	17.3
73.02940	4.3
77.49769	2.1
80.16937	2.0
81.03450	2.2
83.05012	6.3
87.00886	3.6
88.45883	2.1
89.02438	16.7
95.01372	4.0
96.96000	2.6
97.02947	6.0
99.00887	3.0
99.92570	7.1
101.02447	13.5
111.08142	3.8
113.02463	6.1
116.92865	38.7
119.03525	7.1
123.00860	2.9
125.02435	13.3
161.04471	4.0
163.11270	5.8
169.01413	9.6
169.12318	3.8
171.10306	5.2
179.05606	9.6
181.12378	3.1
183.02888	3.6
187.74478	2.0
197.11839	22.6
199.13321	2.3
209.11821	98.9
210.12126	7.5
211.13406	8.0
214.20804	2.2
227.12895	27.3
235.08206	4.8
291.19693	21.2
292.19949	2.7
300.99872	6.9
305.08606	2.8
308.69473	2.7
309.20706	100.0
310.21027	7.2
311.22302	2.3
379.12286	4.9
397.13541	59.0
398.13638	2.6
415.14633	21.5
468.54312	3.5
469.05167	3.8
537.97089	2.7
607.26215	9.8
689.33978	4.7
707.35059	8.4
896.94061	2.7
899.46381	5.0
917.46887	4.9
953.45209	43.1
954.45697	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	953.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
67.84769	2.5
71.01379	16.4
72.99330	3.5
73.02946	5.1
74.20466	2.2
78.95921	2.4
82.95411	3.5
83.01383	3.5
85.02951	2.6
86.16135	2.3
87.00894	3.8
89.02436	13.0
96.95991	5.4
99.00902	3.3
99.92598	5.5
101.02439	9.8
107.31718	2.4
113.02422	7.1
116.92857	50.8
117.92920	3.2
119.03487	3.6
121.70465	2.3
125.02399	7.7
143.03584	3.1
161.04556	5.3
171.40857	2.4
179.05586	6.8
209.11809	100.0
210.12178	5.8
227.12923	22.0
235.08200	5.2
257.14771	2.9
277.21701	50.1
278.21884	3.8
305.08679	2.4
379.12430	23.4
397.13510	74.1
415.14401	7.6
589.24835	9.1
607.26270	7.4
657.34955	6.6
675.35919	13.3
676.36334	3.3
867.48065	5.1
953.49030	32.1
954.49115	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	953.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43083	1.9
84.26398	0.3
95.01398	0.8
101.03988	0.3
106.40588	0.3
111.00905	0.3
117.03455	0.9
119.05035	0.9
121.02965	0.4
123.00877	1.7
124.01650	0.3
125.02453	3.7
129.03465	0.7
131.05023	0.5
133.02968	1.2
135.04474	0.5
137.02426	0.5
145.02934	3.0
147.04529	1.9
149.02431	0.9
157.02954	1.0
158.03629	0.4
159.04453	2.1
160.01630	0.5
161.02440	1.3
163.00417	0.5
163.04024	1.2
165.01930	0.5
169.01416	3.5
173.02435	3.6
174.02959	0.4
175.04002	3.2
177.01982	1.6
177.05449	0.3
185.02437	4.4
187.04031	0.8
189.01915	2.3
190.02618	1.5
191.03522	2.7
192.00563	0.4
193.01361	1.0
200.01144	0.3
201.01930	4.8
202.02434	0.5
203.03540	5.2
204.03972	0.4
205.01405	1.1
205.05061	1.2
213.01883	1.0
213.70570	0.3
216.00716	0.6
217.01428	3.2
218.02072	0.7
219.03000	2.0
221.04527	0.9
227.03610	0.3
228.00600	0.7
229.01392	9.1
230.01854	1.1
231.02971	3.5
242.99449	0.5
243.02806	0.4
244.00055	0.7
245.00882	5.8
246.01376	0.8
247.02483	3.9
248.03072	0.9
249.04034	3.6
254.99431	0.5
255.02867	0.3
257.00909	7.8
257.93747	0.3
258.01511	1.7
259.02280	0.5
261.00433	0.4
270.98825	1.2
271.99298	0.7
273.00385	5.2
274.01035	2.3
275.01962	20.7
276.02188	1.7
283.99634	2.7
291.01633	0.4
293.03043	0.7
298.98248	1.3
299.99054	7.3
300.99881	100.0
302.00217	9.2
302.03671	0.5
303.00333	1.9
314.00528	0.5
315.01376	1.3
319.00967	0.9
343.01013	1.7
419.06241	0.4
437.07269	0.4
446.04718	0.5
463.05167	5.3
464.05362	0.5
581.13153	0.4
615.06482	0.6
633.07361	0.7
739.08270	0.4
751.72449	0.4
765.05463	1.9
935.07880	14.5
936.08698	2.8
953.09106	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	957.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51065	0.4
71.60255	0.3
77.05254	0.3
95.01408	0.4
101.02448	0.4
123.00897	0.7
125.02455	3.0
144.15590	0.4
160.01639	0.4
165.09184	1.6
169.01424	3.1
170.01797	0.6
172.01607	1.0
185.02472	0.8
191.03494	0.5
191.07155	0.7
200.01122	1.1
201.01921	0.5
203.03522	0.4
209.08206	4.5
212.92662	0.3
216.00610	1.5
228.00630	1.2
229.01375	1.7
242.99336	0.8
244.00128	2.1
245.00934	0.4
257.00861	1.3
271.99664	1.4
275.01868	1.5
276.02286	0.9
282.98755	1.1
283.99652	1.0
298.98340	0.7
299.99100	73.6
300.99866	69.9
302.00204	5.5
303.00473	0.6
313.05554	0.9
361.71344	0.4
366.25595	0.4
371.13727	0.4
433.04095	100.0
434.04425	9.8
455.47552	0.4
465.06439	0.4
523.14575	10.6
524.14880	1.2
538.12457	0.4
636.09747	0.4
750.58228	0.4
877.07733	0.4
939.10626	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	954.5273
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72311	33.8
70.72653	94.1
91.74452	43.9
91.99984	38.4
116.92819	100.0
134.20804	38.2
185.25693	36.3
217.93315	39.5
236.84290	40.0
251.56865	38.1
271.70081	40.0
271.85458	42.8
452.67621	36.9
470.99698	35.2
536.46014	35.9
782.42767	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	6.1
69.19434	6.3
69.19862	10.4
71.01382	100.0
72.01749	1.8
72.99309	4.5
73.02944	29.0
75.00842	2.6
79.01876	1.5
81.03444	1.8
83.01384	11.1
85.01843	1.6
85.02958	36.1
85.10790	1.6
86.00088	1.7
87.00880	12.4
89.02444	43.3
95.01405	8.9
96.95991	2.0
97.02934	9.9
98.20683	3.1
99.00869	10.0
101.02441	71.2
101.21930	1.5
107.01360	4.0
108.02164	18.4
109.02950	7.1
113.01720	3.0
113.02454	36.6
116.92893	1.7
119.03493	12.7
121.02880	2.0
123.00874	6.1
125.02454	26.5
128.03485	1.8
131.03516	17.0
135.00891	11.5
137.02457	3.5
143.03484	9.5
149.04552	6.1
151.00406	2.6
151.11269	6.4
152.01166	30.3
153.01926	33.4
159.02933	4.9
161.04556	42.4
169.01395	7.4
177.01869	2.6
179.05656	10.6
191.05644	2.2
195.02954	2.2
197.05975	2.4
203.05658	13.7
209.11900	2.8
221.06662	14.8
243.06578	13.0
263.07767	7.7
293.08731	8.2
297.28714	1.7
300.99811	2.8
313.16623	15.9
327.07141	8.8
331.17621	74.4
332.17886	4.5
373.18646	52.8
374.19049	6.1
375.20218	8.6
429.10324	51.9
430.10648	5.1
793.20532	1.8
902.87054	2.1
964.81274	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
82.80417	0.4
95.01398	0.5
97.02965	0.5
98.20709	0.7
111.00928	0.4
115.05493	0.3
117.03467	1.0
121.02885	0.5
123.00881	1.9
125.02462	3.4
129.03462	0.6
131.05025	0.7
133.02988	0.6
135.04520	0.7
137.02489	0.6
139.63594	0.4
145.02950	3.0
147.04524	1.9
149.02455	0.9
157.02953	1.1
159.04526	3.0
161.02434	1.5
162.03218	0.6
163.00356	0.5
163.04044	1.3
164.01135	0.9
168.07846	0.4
169.01439	3.7
169.02747	0.6
173.02477	3.1
174.03078	0.5
175.03979	2.5
177.01936	1.9
177.05560	0.6
185.02419	3.3
187.03992	1.2
189.01933	2.2
190.02658	1.6
191.03494	3.0
193.01408	0.9
200.01099	0.6
201.01949	4.5
202.02501	0.4
203.03506	5.5
205.01447	0.8
205.05119	2.0
213.01894	1.0
216.00664	0.6
217.01385	3.2
218.02016	0.8
219.02954	1.9
221.04602	1.0
226.99902	0.4
228.00543	0.4
229.01398	8.2
229.57416	0.4
230.01881	1.2
231.02992	5.5
232.03561	0.5
243.02840	0.6
244.00194	0.9
245.00883	5.1
246.01503	0.9
247.02504	4.7
248.03099	0.6
249.04010	4.2
257.00906	7.5
258.01651	2.1
270.98877	1.5
271.99341	1.2
273.00391	4.9
274.01086	2.2
275.01965	19.1
276.02365	1.5
283.99606	3.0
291.01367	0.5
293.03049	0.7
298.98358	1.0
299.99075	6.8
300.99884	100.0
301.96927	0.8
302.00220	8.8
303.00369	2.1
314.00681	0.4
315.01422	0.6
319.00888	0.5
337.02209	0.4
343.00879	0.9
348.10257	0.3
402.39178	0.4
437.07239	1.0
445.04126	0.6
463.05157	5.2
525.27521	0.4
615.05566	0.6
633.07483	0.6
739.07898	0.8
765.05743	1.1
812.00494	0.4
909.09802	1.9
925.23004	0.4
935.07861	10.8
935.25385	0.7
936.08228	2.4
953.09015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.09
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	1.7
69.60389	9.5
71.01359	2.4
95.01389	9.6
102.41276	1.3
105.03448	1.8
107.01411	7.5
117.03485	3.4
119.01405	1.9
119.05025	2.0
121.02948	2.2
123.00896	16.3
125.02456	42.7
129.03410	2.8
133.02927	4.7
139.00430	2.3
142.49954	1.4
145.02950	15.3
147.00836	1.5
147.04474	5.0
151.00336	2.2
157.02898	4.0
159.00919	1.6
159.04584	1.8
161.02443	11.4
163.00323	2.8
163.03987	6.7
166.99803	5.6
168.00647	3.2
169.00015	2.7
169.01439	46.8
170.01683	1.4
171.00888	8.1
172.01555	2.0
173.02399	15.1
175.03906	4.1
177.01886	5.1
179.03464	3.3
185.02417	3.9
187.00307	2.7
189.01888	13.8
190.02565	4.3
191.03500	8.9
199.00328	5.9
200.01105	3.2
201.02008	16.4
203.03493	4.2
204.00233	1.7
205.01427	2.7
206.02200	1.5
214.99736	1.8
216.00655	4.0
217.01407	28.8
218.01959	2.3
219.02893	7.2
226.99966	8.1
228.00542	4.0
229.01416	20.7
230.02022	4.0
231.02968	6.5
239.03670	1.7
242.99286	5.4
244.00218	3.4
244.98482	2.9
245.00887	45.6
246.01364	2.5
247.02464	26.1
253.01270	1.9
257.00906	7.5
259.02505	1.9
261.00357	4.4
267.03018	2.1
270.98825	14.1
273.00412	82.1
274.00964	7.4
275.01953	16.6
283.99710	2.8
288.99869	2.1
291.01508	4.6
295.04739	2.7
298.01114	3.0
298.98331	33.4
299.01776	2.3
299.99109	18.7
300.99887	100.0
302.00208	5.2
311.01971	1.7
313.05701	2.3
314.00690	2.0
316.99338	13.8
343.01059	3.0
465.06595	4.6
579.03949	1.7
597.04669	2.7
615.06305	1.9
617.07843	19.4
618.07886	2.9
721.07349	2.6
747.04822	7.1
749.06610	24.3
750.06763	2.2
765.06158	4.5
767.07483	27.8
768.07324	3.3
891.09222	2.4
917.07025	21.5
918.07098	4.7
935.08032	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	952.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95605	29.1
71.01393	39.0
71.76563	30.7
84.24857	27.8
88.98805	100.0
106.56437	28.4
111.31573	32.3
116.92864	36.2
137.20183	28.2
187.95238	31.5
198.29051	30.3
209.11794	57.1
226.24190	32.6
233.04015	32.8
285.73917	38.5
293.46936	33.7
408.14014	39.2
415.95801	35.9
885.17706	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	953.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01871	0.3
69.26006	2.6
73.89214	0.3
85.02937	0.3
91.01871	0.3
93.03477	0.6
95.01380	1.1
96.37651	0.3
97.02898	0.3
98.19027	0.3
98.20663	0.7
103.05582	0.4
105.03497	0.3
107.01373	0.5
109.02943	1.3
111.00888	0.6
115.05534	0.8
115.67057	0.3
117.03506	0.4
119.01322	0.5
119.05035	0.8
121.02944	0.7
121.06562	0.5
122.96071	0.3
123.00921	1.7
124.01662	0.7
125.02457	5.3
129.03438	0.4
131.01346	0.5
131.04999	0.6
133.02939	0.6
133.06583	1.3
135.04539	0.8
137.02448	2.8
138.03180	0.4
143.05014	0.4
145.02913	2.3
146.03751	0.3
147.04506	2.4
149.02435	3.5
149.06113	1.4
151.00331	0.3
151.04015	0.5
157.02945	1.3
159.04512	3.2
160.04956	0.3
161.02446	1.7
161.06024	1.5
162.03241	0.5
162.79230	0.3
163.00375	1.5
163.04019	2.4
164.01137	0.5
164.04692	0.3
165.01976	2.0
166.99883	0.3
169.01424	6.1
173.02435	2.8
174.03108	0.6
175.00362	0.4
175.02541	0.5
175.04002	6.0
176.01152	0.4
176.04364	0.3
177.01956	3.4
177.05544	3.1
179.07135	0.5
185.02437	3.2
186.03107	0.3
187.04013	2.6
189.01949	2.1
190.02756	1.7
190.99834	1.0
191.03485	2.6
192.00685	0.3
193.01392	5.8
193.05031	1.1
201.01875	3.0
202.02505	0.5
203.03502	12.0
204.03922	0.8
205.01439	2.6
205.05061	9.9
206.05380	0.5
208.00188	0.4
213.01900	1.0
214.02611	0.4
215.03560	0.4
216.00618	0.7
217.01405	0.8
218.02156	0.3
218.99330	0.7
219.02924	1.3
221.00995	0.4
221.04546	3.4
226.99797	0.4
227.03503	0.4
228.00665	0.6
229.01381	6.7
230.01866	0.9
231.02954	8.8
237.00368	3.5
243.02817	0.4
245.00911	3.2
247.02435	5.2
248.03146	0.9
249.04028	4.5
254.99408	0.3
257.00870	5.2
258.01544	1.0
259.02386	0.4
265.03522	0.9
270.98840	0.6
273.00381	3.4
274.01053	1.1
275.01959	21.2
276.02325	1.7
283.99619	2.7
291.01410	0.6
293.03033	4.4
298.98419	0.7
299.99091	3.9
300.99878	100.0
301.96930	0.6
302.00232	7.4
303.00476	0.6
319.00925	5.0
337.02014	5.6
343.01062	0.4
355.05377	0.3
381.04465	0.5
401.05081	0.4
419.05978	0.4
437.07330	0.5
445.03986	0.5
453.06976	0.4
463.05103	2.6
481.06317	2.8
499.07355	0.6
522.89111	0.3
615.06244	1.2
633.06921	1.9
651.08105	0.4
765.06091	0.8
783.07135	0.9
801.07178	0.4
853.06268	0.4
909.11169	0.6
935.08356	2.5
936.08344	0.4
953.08990	6.3
953.27563	0.4
954.08447	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	951.5686
Annotation	Unknow
Peak:m/z	Relative Intensity
68.21402	0.6
68.63470	0.5
68.99563	2.5
69.03457	1.3
69.25620	5.5
71.01008	1.0
71.01381	14.1
72.99318	1.1
73.02943	2.4
83.01374	1.3
85.02943	3.4
87.00874	5.8
89.01935	1.0
89.02449	12.5
95.01392	1.2
97.02943	2.5
98.20586	1.3
99.00892	1.1
101.02441	11.2
110.29971	0.6
112.98569	3.0
113.02460	6.3
119.03512	3.7
125.02466	5.0
131.03508	1.0
139.03912	0.6
143.03490	1.5
155.02757	0.6
161.04559	2.9
171.10217	0.6
179.05626	3.4
195.13873	6.6
196.14349	0.7
201.60178	0.5
205.15942	0.8
209.11879	0.6
221.06679	0.6
223.13429	5.2
228.13704	1.2
235.08238	4.2
245.06735	0.6
253.09196	1.1
256.13116	1.3
275.20139	5.4
277.21722	43.7
278.22061	2.0
287.07712	1.5
293.21228	100.0
294.21555	7.4
305.08820	1.7
323.09619	0.8
379.12561	3.9
397.13516	38.8
398.13953	3.1
415.14523	13.0
416.14828	1.0
432.81488	0.6
675.35413	0.6
802.47192	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	1.5
71.01382	60.3
72.99313	2.3
73.02948	4.6
78.95921	1.7
81.03458	3.2
83.01402	2.6
83.05031	5.7
84.02178	1.6
85.02954	8.7
87.00882	4.7
89.02445	18.1
93.03387	0.9
95.01367	1.3
95.05037	1.5
96.96040	6.2
96.96955	1.4
97.02949	5.6
97.06603	4.0
99.00896	2.0
101.02449	15.7
102.05569	0.8
109.02984	1.8
109.06599	5.6
111.00912	0.9
111.04530	1.3
113.02463	8.8
116.92842	1.4
119.03505	3.9
119.31522	0.8
123.00896	0.9
123.08125	1.0
125.02450	10.4
125.09762	3.3
127.11301	2.3
128.03522	1.5
131.03503	1.4
135.08153	1.5
139.04079	0.9
143.03456	2.7
146.04610	1.7
155.10811	2.6
161.04562	3.6
161.09729	1.1
163.11320	6.7
165.12836	1.9
167.14377	0.8
169.01410	3.9
171.10263	30.7
179.05559	5.5
179.10876	1.1
181.12332	3.2
183.13895	2.5
185.11668	1.9
191.10797	1.2
197.11781	1.8
199.13438	1.4
201.11316	11.4
207.10257	13.3
208.10706	1.1
209.11818	54.1
210.12152	3.1
211.13365	15.8
215.12805	1.6
218.07375	0.9
221.06567	1.8
221.11772	2.1
225.11328	23.4
226.11630	2.1
227.12871	7.8
229.14452	10.4
235.08136	4.1
239.12885	2.9
243.12334	2.5
253.09341	1.6
273.00391	1.8
283.00275	0.8
287.07614	1.5
291.19656	5.5
298.98380	1.7
299.98953	1.0
300.99857	8.4
305.08759	1.9
307.19199	2.1
309.20715	7.0
324.19211	0.9
327.21750	100.0
328.22043	8.3
341.23425	1.5
379.12323	1.6
392.21207	0.8
397.08298	1.6
397.13489	30.2
398.13794	2.1
415.14600	15.8
422.19653	0.9
457.15472	1.1
623.25531	5.1
707.35077	3.4
725.35663	1.4
933.46771	6.6
934.48608	2.3
951.47772	3.6
952.48132	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	951.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	4.1
71.01385	100.0
71.51241	4.8
72.71273	2.1
72.99305	4.4
73.02931	7.4
80.02676	3.1
81.03455	5.4
83.01395	5.0
83.05012	8.5
84.02169	2.6
85.02942	12.2
87.00868	11.5
89.02450	39.7
95.05048	2.5
95.96922	2.3
96.96014	18.0
97.02960	7.4
97.06590	5.2
99.00859	3.8
101.02448	37.6
109.02956	3.0
109.06573	6.6
111.08140	6.8
113.02470	18.6
116.92869	5.3
117.95993	2.1
119.03493	8.2
123.00884	3.6
125.02468	24.5
125.09703	8.6
126.02682	2.8
127.11215	2.9
135.08134	2.9
143.03488	5.9
148.09808	2.7
149.04517	3.1
155.10757	4.4
161.04597	6.2
163.11302	13.0
165.12840	4.0
167.10780	3.0
169.01376	12.0
169.12343	4.5
171.10287	44.9
179.05606	11.9
181.12331	3.2
183.13925	2.9
185.11867	3.3
191.14369	4.1
197.11835	36.1
199.09682	5.0
201.11316	71.5
207.10257	19.3
209.11823	90.7
210.12097	9.2
211.13359	10.0
213.17766	2.4
221.06593	5.1
225.11310	21.3
226.11732	2.5
227.12897	14.2
235.08154	10.2
245.19139	6.9
253.09276	3.3
263.07883	3.1
263.19998	4.9
275.02032	3.5
289.18121	17.1
291.19656	21.1
300.99869	17.6
307.19171	16.4
309.20746	66.2
310.21057	3.7
327.21707	6.0
341.23312	5.4
342.23550	3.7
343.24890	22.0
344.25354	2.5
396.87607	2.7
397.13531	51.6
398.13751	3.8
415.14584	22.2
468.55234	2.9
469.04883	3.2
548.10901	2.5
623.25726	3.3
675.65601	2.9
915.45892	11.0
951.47919	12.9
952.48297	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	951.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80695	3.8
95.14475	0.8
120.75054	0.8
125.02470	1.4
151.00340	2.0
156.00677	0.9
162.06226	0.7
169.01378	1.4
174.01682	1.0
183.02969	10.8
227.03481	36.7
228.03876	1.9
255.02974	40.9
256.03653	4.9
271.02548	1.3
284.03250	46.1
285.03903	8.2
289.84598	0.7
300.02805	1.3
300.99796	2.3
335.04169	1.4
363.37552	0.7
394.16370	0.7
428.29306	0.7
447.09296	100.0
448.09653	9.1
463.08694	3.2
782.71362	0.8
784.02631	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99566	4.5
69.03452	5.3
71.01384	66.3
71.04964	4.0
71.50471	5.2
71.50852	4.0
77.16724	4.1
78.95895	6.1
79.95747	8.3
80.96507	7.0
83.01389	5.5
83.05024	10.1
85.02938	12.0
87.00879	12.4
88.98787	20.1
89.02456	29.4
96.96016	53.2
97.02982	8.6
97.06638	5.0
99.00878	5.7
101.02464	24.9
109.06590	14.4
112.98591	4.5
113.02433	9.1
116.92872	8.9
119.03481	9.6
121.03030	6.2
125.02415	14.8
125.09695	6.7
126.90424	5.0
137.02379	4.6
145.05095	5.0
161.04451	5.5
161.17393	3.8
163.11246	12.5
165.01825	5.7
169.01430	8.4
171.10280	27.1
179.05573	12.6
181.12286	6.6
183.13954	5.7
185.11845	4.0
191.14415	5.2
197.11807	15.0
199.13338	5.1
201.11305	9.5
207.10216	37.9
209.09891	8.1
209.11813	100.0
210.12047	7.3
211.13374	15.1
225.11313	24.7
227.12863	21.9
235.08226	9.3
289.18079	24.3
291.19711	23.6
293.21228	7.9
300.99838	18.6
307.19070	34.0
309.17184	7.1
309.20529	33.1
310.21002	4.7
311.22089	11.6
327.21649	18.7
379.12268	5.1
397.13544	70.0
398.13950	7.9
415.14465	27.3
576.02661	4.4
607.25836	5.5
623.25818	7.3
644.79462	4.2
691.79089	4.9
707.35907	5.8
897.44916	6.7
915.46521	37.0
916.45709	7.8
951.43457	48.4
952.44568	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	950.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99563	66.9
71.50350	19.8
84.85670	14.5
92.05611	15.0
102.97546	15.6
112.98537	48.1
116.92870	100.0
141.01692	17.4
207.10260	29.4
397.13278	21.8
895.13098	19.3
901.00085	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	951.074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26215	2.9
69.26627	1.7
70.21935	0.5
87.58081	0.5
95.01375	1.5
98.92381	0.5
109.77965	0.5
117.03470	1.3
123.00863	2.7
125.02439	2.5
129.03458	1.1
131.01399	0.6
133.02957	1.9
135.04515	0.8
145.02963	4.6
147.04533	1.4
149.02428	0.6
157.02954	1.0
159.00856	0.7
159.04472	1.0
160.01698	0.7
161.02437	4.1
162.77942	0.5
163.00290	0.7
163.03946	2.5
164.01184	0.6
166.99873	1.3
169.01469	2.6
172.01686	0.6
173.02440	4.9
175.03970	2.2
177.01912	1.2
179.03563	1.0
185.02423	3.2
187.00375	0.8
189.01921	4.7
190.02679	1.3
191.03442	2.9
199.00378	0.8
200.01192	0.9
201.01923	5.7
203.03510	2.1
205.01410	0.7
213.02103	0.6
214.99863	2.4
216.00674	1.0
217.01395	5.0
218.01909	0.7
219.03008	2.2
226.02470	0.7
226.99844	1.8
228.00591	0.6
229.01408	7.0
230.01917	1.5
231.03021	2.5
242.99336	4.4
243.03058	0.6
244.00162	1.3
245.00900	12.6
246.01448	0.7
247.02460	5.4
248.22214	0.5
249.04001	1.9
254.99387	1.0
257.00894	5.8
258.01624	1.4
261.00406	1.4
270.98846	11.9
271.99310	1.2
272.97479	1.2
273.00412	18.2
274.01019	2.3
275.01984	11.2
283.99625	2.5
291.01450	1.8
298.98346	16.5
299.01666	0.6
299.99069	6.9
300.99893	100.0
302.00256	5.5
316.99512	2.5
343.00967	0.8
433.04147	0.6
443.02438	1.1
445.03934	2.5
461.03561	3.2
463.05124	3.4
613.04596	1.2
765.06384	1.4
915.05060	1.2
921.13544	0.6
933.06384	11.0
934.07129	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	949.6108
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17041	0.7
69.03457	1.5
71.01010	1.3
71.01385	19.1
71.50423	1.2
71.50809	0.9
72.99294	2.3
73.02946	3.2
73.36634	0.8
75.00863	1.4
78.95905	1.9
79.95734	1.5
80.91669	1.0
80.96458	1.1
81.03430	1.1
83.01416	1.8
83.11114	0.9
85.02930	3.1
87.00888	4.8
89.02448	15.7
90.25430	0.8
95.01384	2.0
96.96022	7.6
97.02943	3.0
101.02448	12.3
101.99706	0.8
105.01989	0.8
106.64358	0.9
113.02452	6.3
113.09686	1.8
116.92876	1.3
119.03499	4.3
123.00903	1.6
125.02451	6.0
130.89035	0.8
134.77190	0.8
143.03455	1.9
161.04550	3.0
169.01410	3.1
171.10168	1.6
177.42841	1.0
179.05547	3.0
179.14488	1.1
195.13911	14.2
197.11821	1.0
209.11861	1.7
225.11339	2.1
235.08186	7.0
253.09251	2.1
255.23279	36.7
256.23642	1.7
261.24155	0.9
267.61786	0.9
277.21722	12.3
287.07730	2.0
291.19843	1.0
295.22778	100.0
296.23096	7.6
300.99857	1.2
305.08618	2.3
309.20468	1.1
397.13501	65.0
398.13794	3.7
415.14511	17.9
416.14966	1.3
556.02856	0.9
611.18396	1.0
653.37250	4.4
949.47803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	2.8
69.59048	5.0
69.59469	3.2
69.96291	1.2
71.01383	34.0
72.99293	2.7
73.02966	1.9
75.00874	1.6
78.77621	1.2
78.95889	1.4
80.02693	1.6
80.96542	1.5
81.03489	1.4
83.01386	2.9
83.05019	6.8
85.02943	6.6
87.00878	6.6
89.02442	20.4
91.38710	1.2
95.01367	2.9
95.05064	1.9
96.57983	1.2
96.96023	2.1
97.02949	6.3
97.06606	1.9
97.72315	1.2
99.00886	2.2
101.02446	16.3
109.06583	2.5
111.08163	6.7
112.98662	1.3
113.02443	12.0
116.92852	1.5
119.03503	7.0
121.02965	2.1
125.02445	11.4
125.09699	2.9
129.01936	9.2
135.02997	3.0
139.04010	1.9
143.03494	3.7
151.11227	1.6
153.12859	1.8
161.04523	4.4
163.11246	4.6
165.12827	3.7
169.01398	4.8
169.12384	8.6
171.10278	11.3
179.05609	6.8
179.10709	1.1
181.12361	1.7
185.11746	1.4
197.11823	37.1
198.12167	1.7
199.09859	2.0
199.13425	2.8
201.11266	3.8
207.10204	4.8
209.11823	100.0
210.12125	5.5
211.13382	9.0
221.06602	2.0
225.11328	4.5
227.12863	16.1
235.08130	6.4
253.09187	1.4
259.15454	2.9
263.07602	1.5
263.20151	3.3
287.07751	1.6
289.18060	4.2
291.19693	16.9
292.19785	2.0
305.08737	1.6
307.19138	5.1
309.20691	81.7
310.21103	8.2
341.23419	6.6
379.12421	5.0
397.13464	45.6
398.13715	2.4
415.14554	15.6
607.26202	6.0
659.91046	1.4
689.34216	2.8
707.34381	3.3
949.46625	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	949.502
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01949	0.3
68.99569	0.7
69.03453	2.0
69.80531	1.5
71.01381	14.5
72.99309	0.9
73.02957	1.5
75.00899	0.5
76.42716	0.3
78.95899	1.3
79.95728	0.5
80.02683	1.2
81.03459	2.2
83.01390	1.1
83.05024	4.9
84.02161	2.7
85.02940	3.2
87.00871	3.5
89.02444	11.0
93.03439	0.3
95.01399	1.2
95.05029	1.0
96.96012	15.9
96.96918	1.6
97.02935	2.8
97.06588	6.3
99.00877	0.9
99.04521	1.3
99.92590	0.7
101.02448	9.4
109.02924	0.4
109.06592	0.7
111.00896	0.4
111.04536	0.6
111.08157	0.7
112.98558	0.6
113.02454	5.6
114.02756	0.3
116.92853	4.8
117.01958	0.4
119.03509	3.5
119.08670	0.5
123.50834	0.3
124.01610	0.3
125.02442	4.7
125.06108	0.3
125.09710	1.5
126.90270	0.3
127.11375	0.6
129.02013	0.2
131.03503	0.7
135.08217	0.7
135.35155	0.3
137.02419	0.4
137.09735	0.6
139.00343	0.4
141.01990	0.5
143.03491	2.1
149.04565	0.4
153.09193	0.3
161.02417	0.3
161.04575	2.4
161.09695	0.3
163.11279	4.0
164.11554	0.5
165.12831	2.6
165.15738	0.4
169.01361	1.4
171.10257	12.1
172.10622	0.4
175.11346	0.4
179.05612	4.8
181.12320	0.8
185.11829	0.6
191.10786	0.7
193.12315	8.3
194.12689	0.5
197.11830	1.1
199.13293	0.6
201.11249	0.9
203.10747	0.4
207.10233	0.8
209.11816	69.0
210.12106	2.8
211.13428	3.2
217.07243	0.3
221.06699	1.7
221.11719	0.9
223.09738	0.6
225.11328	1.1
225.14948	10.8
226.15356	0.6
227.12886	8.4
228.13158	0.4
229.14397	0.4
235.08229	3.8
239.12599	0.4
243.15988	5.4
251.12856	0.4
253.09299	0.4
253.14452	0.8
259.96417	0.3
263.07489	0.5
287.07697	0.7
291.19714	1.9
300.99872	0.7
305.08841	1.2
309.20654	0.6
323.09863	0.8
323.22345	1.5
325.20221	1.7
327.21793	0.7
341.23294	100.0
342.23660	7.6
365.23123	0.5
377.23999	0.4
379.12469	1.2
397.13489	29.0
398.13852	2.1
415.14551	11.5
415.18802	0.2
416.14841	0.9
469.05151	0.5
533.34839	2.1
551.35858	0.5
606.34167	0.3
607.25940	1.9
721.36682	1.2
739.38190	1.6
740.37964	0.4
931.46124	0.5
949.47510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01855	0.4
68.99561	0.4
69.03445	2.3
71.01383	14.8
71.05019	0.5
71.51270	0.4
72.99299	1.4
73.02953	2.4
75.00874	0.4
78.36839	0.3
78.95923	1.4
79.95730	0.6
80.02664	1.5
81.03461	2.2
83.01389	1.8
83.05022	4.9
84.02163	3.1
85.02956	3.6
87.00878	3.2
89.02444	13.1
93.03448	0.5
95.01406	1.2
95.05035	1.1
96.96014	11.6
96.96934	1.5
97.02948	2.8
97.06590	6.2
99.00880	0.9
99.04523	0.9
101.02445	9.4
102.77167	0.3
103.81976	0.3
107.04988	0.4
109.06580	1.5
111.00875	0.4
111.04496	0.6
113.02459	6.1
116.92891	0.3
119.03510	2.9
121.02987	0.3
123.00886	0.5
124.01697	0.3
125.02448	5.0
125.06045	0.9
125.09719	1.5
127.07638	0.3
127.11297	0.4
128.90132	0.6
129.01927	0.4
131.03540	0.6
135.08167	1.1
137.09691	1.0
139.00299	0.4
139.04025	0.5
141.01903	0.4
143.03505	2.1
149.04509	0.4
149.13313	0.5
151.11282	0.6
153.09221	0.4
153.12856	0.4
155.10728	0.4
161.04579	2.5
163.11282	4.1
164.11656	0.4
165.12845	2.6
169.01418	1.3
171.10278	11.6
172.10597	1.0
175.11227	0.4
177.12854	0.7
179.05618	3.7
181.12346	0.9
183.02937	0.3
183.13892	0.5
185.11818	0.6
191.10820	1.0
193.12328	8.9
197.11807	1.5
197.15562	0.4
199.13391	0.8
201.11382	1.5
207.10239	1.5
209.11824	71.1
210.12137	3.4
211.13429	3.2
215.12903	0.3
217.07153	0.5
221.06543	1.4
221.11862	0.9
223.09813	0.7
223.13408	0.4
225.11577	2.4
225.14954	11.8
226.15315	0.8
227.12883	9.0
228.13148	0.4
235.08188	3.4
243.15991	6.1
244.16458	0.4
253.09325	0.8
253.14442	1.1
263.07666	0.3
287.07800	0.9
291.19675	1.4
300.99811	0.7
305.08777	1.7
305.21368	0.7
309.20782	0.4
310.14246	0.3
323.09915	0.6
323.22195	1.1
325.20181	3.6
327.21677	1.5
341.23309	100.0
342.23633	7.6
379.12506	1.6
397.13504	25.6
398.13950	2.1
412.24896	0.3
415.14542	11.7
416.14786	0.5
469.05072	0.6
533.34894	2.3
534.35516	0.4
551.35968	0.8
607.26190	2.1
623.25800	0.5
721.36566	1.0
739.37494	1.8
740.37848	0.4
931.46173	0.6
949.46259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.5191
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12928	58.3
71.01373	47.5
79.95721	18.3
96.96021	100.0
125.02430	27.4
169.01361	16.4
171.10381	16.3
209.11690	21.5
389.57983	19.1
528.03918	15.6
633.80389	14.8
718.33069	14.4
946.79602	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	949.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99854	1.2
69.03443	3.3
70.93266	1.0
71.01382	100.0
72.99302	4.4
73.02948	6.9
75.00871	2.7
78.95909	2.4
79.95769	1.6
80.96537	1.7
81.03454	2.9
83.01368	3.7
83.05056	2.5
85.02947	8.0
86.01433	1.0
87.00875	31.4
89.02444	22.7
95.01383	2.8
95.05005	2.0
96.96000	4.1
97.02959	8.3
97.06574	3.2
98.20687	2.5
99.00875	3.8
101.02434	18.1
109.02979	2.0
109.06593	5.1
110.03737	1.8
111.00913	1.7
111.04506	4.4
111.08147	1.1
113.02448	10.4
116.92836	2.1
119.03503	7.1
123.04518	3.0
123.08147	2.5
125.02417	8.0
125.09734	7.8
127.11257	2.1
129.01967	1.5
131.03534	1.5
135.08144	1.3
137.09749	2.3
143.03445	3.4
149.04552	1.5
153.09134	0.9
155.10757	2.6
161.04573	3.8
161.09731	2.6
163.11269	6.2
165.09094	1.2
165.12810	3.1
169.01382	3.2
169.12314	3.4
171.10265	27.5
172.10628	1.9
177.09233	1.2
179.05655	5.1
179.10712	4.5
181.12279	4.5
185.11771	5.1
187.09720	1.9
191.14397	2.7
193.12294	1.3
197.11821	7.7
199.09688	1.9
199.13391	2.6
201.11328	18.0
202.11681	1.2
205.08604	5.1
207.10240	15.9
209.11774	11.2
211.13377	8.1
213.11296	3.2
215.12863	3.4
221.06734	2.5
221.11751	2.2
223.09747	15.1
225.09232	2.0
225.11327	21.3
226.11705	1.6
227.12851	4.3
235.08232	3.9
241.10754	2.3
241.14510	1.7
243.12361	2.0
245.19058	3.9
253.09276	2.6
263.20038	1.5
287.07645	1.5
289.18082	13.0
291.19644	14.6
292.20108	1.4
307.19138	12.0
308.19299	1.4
309.20697	16.7
310.21042	1.9
321.20547	1.2
341.23444	5.3
397.13437	16.7
401.49805	1.3
415.14529	11.4
596.56458	1.2
621.23743	1.8
623.25342	3.2
700.37714	1.3
726.30731	1.3
913.44220	2.2
931.45490	3.6
949.46625	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	948.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67817	30.2
66.63590	28.9
71.01389	98.0
87.00861	29.3
89.02451	36.3
98.20714	89.8
101.02424	41.5
107.49908	32.1
112.98537	45.2
133.88927	31.8
152.80176	37.8
158.55209	35.5
171.10361	45.7
207.51956	31.0
209.11842	100.0
224.62009	38.8
248.62419	31.8
255.84859	41.4
397.13852	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	100.0
71.50271	47.4
72.91690	25.8
74.97082	25.2
78.91885	36.7
78.95915	42.2
79.95730	25.6
80.96523	49.8
87.00867	25.1
89.02444	37.8
96.96021	99.3
111.52530	31.4
116.13737	29.1
120.60163	25.8
125.02435	91.6
168.00629	26.9
169.01399	68.8
171.10184	47.7
207.10243	76.3
209.11794	36.9
215.04028	25.8
238.11757	23.2
283.18668	23.5
283.63940	22.6
341.23358	70.8
342.23532	47.3
397.13525	43.6
468.54303	40.7
469.05048	37.7
524.01178	25.5
948.48840	51.3
949.49182	27.2
957.40363	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44265	56.9
71.01369	18.7
72.99280	7.9
75.00854	21.7
78.95958	8.2
88.98794	12.5
89.02435	21.7
92.93498	6.9
96.28103	8.1
101.02448	20.9
109.06503	8.6
112.98595	9.9
113.02443	14.6
116.92863	46.7
125.02468	12.3
189.95972	7.2
207.10202	37.5
208.10709	19.7
209.11856	100.0
210.12154	27.3
227.12859	25.2
235.08121	11.0
239.12872	9.3
247.27353	7.5
277.21680	73.3
278.22064	42.1
372.92096	8.8
379.12482	10.2
397.13629	39.7
398.13577	14.5
576.58795	9.2
764.28436	8.9
886.48169	18.8
946.48438	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	946.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97479	11.2
70.31285	32.3
71.01365	39.7
73.02966	10.2
75.00858	54.6
78.95918	9.3
80.96508	20.2
82.19392	9.3
89.02422	15.2
97.00095	9.1
101.02451	12.8
107.20066	9.0
116.87098	11.2
116.92858	100.0
123.61482	9.2
125.02408	17.9
163.11319	14.1
188.93541	10.8
207.10234	33.1
208.10605	21.4
209.11855	49.5
221.61078	10.1
225.11356	12.2
226.11533	14.8
227.12781	18.6
277.21802	56.0
278.22107	24.4
349.77747	9.3
379.12704	13.8
397.13522	29.5
444.70883	9.4
703.68158	9.9
886.47754	37.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99559	31.2
71.01373	83.8
77.77146	17.4
80.96503	19.7
88.98833	29.6
89.02443	31.5
90.07776	20.3
96.95995	58.1
101.02430	26.5
112.98536	34.8
125.02464	30.0
169.01436	24.3
171.10179	36.1
209.11922	100.0
225.11380	43.9
227.12747	22.1
235.08372	20.0
397.13452	44.0
930.29742	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	946.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53419	1.0
70.02953	1.1
70.11560	4.2
70.11929	2.1
71.01375	1.4
71.02489	4.2
72.00899	4.4
73.04056	2.5
74.02467	18.5
77.05782	1.1
82.01703	1.4
83.02499	1.2
84.00904	1.1
84.33391	1.3
85.04053	4.6
86.02451	1.3
87.05634	7.3
88.04053	1.9
89.02406	1.1
92.05049	1.3
93.03448	2.0
96.95990	1.7
97.00433	1.4
97.04048	2.6
98.01206	2.1
98.02471	2.9
99.01993	9.0
99.05622	3.6
101.07184	4.2
109.04034	1.2
111.05648	1.2
113.03584	10.8
113.07198	2.9
115.08772	17.9
116.05063	32.6
117.05376	1.7
118.06667	1.1
119.05038	2.9
120.05250	1.1
125.02422	3.0
125.03553	3.8
125.07238	6.8
127.05128	10.7
127.08779	1.9
128.03496	1.3
130.06627	1.9
132.04533	2.1
133.05307	2.1
134.06131	6.3
135.05630	2.3
136.04019	1.4
137.07191	7.3
139.05080	1.3
139.08714	1.3
141.06699	19.2
142.06618	8.2
143.08263	2.7
145.06148	8.1
146.06119	4.0
152.08243	2.5
153.06688	15.0
154.09810	3.3
155.08212	4.1
156.08070	1.6
157.07750	1.6
159.09274	10.3
162.05621	2.7
169.01396	2.8
170.09352	28.8
172.07658	4.3
172.10846	5.8
174.09161	2.3
177.06599	2.7
179.04599	7.5
179.08197	1.1
180.07814	1.8
181.09824	1.6
181.45647	1.2
182.09323	1.8
184.10918	2.3
186.05519	2.2
189.06631	1.4
198.08809	5.7
200.07108	6.6
202.08627	1.1
203.04449	1.2
203.08247	31.4
204.08501	1.3
205.06195	2.3
206.09296	1.4
209.11812	9.7
213.10355	1.4
217.06206	1.6
217.09816	10.9
227.11418	2.4
228.11507	1.4
230.12914	3.0
231.11234	5.9
243.11397	2.9
272.14020	1.4
274.11868	9.7
275.10370	3.3
281.12534	1.9
285.13693	1.6
293.12610	1.5
300.99908	1.4
317.16373	2.3
327.18475	2.0
333.15717	3.6
360.17191	10.5
361.17325	2.1
387.16772	10.1
388.17087	1.4
404.16058	2.6
421.19110	1.9
446.20911	1.4
447.21869	1.3
520.25531	1.4
541.23700	1.8
541.71429	1.2
546.23492	1.5
558.23431	5.0
575.26221	17.8
576.26392	2.3
603.25800	1.3
738.32520	29.8
739.32874	4.3
946.41034	100.0
947.41351	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01374	57.2
71.52086	20.6
75.00879	15.5
78.35345	21.5
85.63203	17.4
87.00890	19.0
88.98798	28.0
89.02419	20.8
94.94225	15.8
96.96007	43.9
101.02382	19.9
115.00361	45.6
125.02438	83.0
149.06152	23.3
168.00572	24.4
169.01385	94.3
175.02412	47.0
207.10129	39.5
209.11819	100.0
210.12039	20.6
225.11156	24.8
237.07739	40.3
253.55875	16.1
314.68127	18.5
327.21909	19.9
347.37033	16.6
368.81628	18.2
469.05060	26.3
516.90698	19.2
544.59937	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	946.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35838	12.0
71.01394	21.2
74.30966	3.0
75.00854	3.7
80.96534	5.0
83.05006	3.1
85.02948	6.3
87.00864	5.9
88.98820	7.0
89.02435	16.1
91.01801	3.2
95.01359	4.2
101.02444	12.7
102.02771	3.4
113.02461	6.3
116.92849	10.9
119.03444	5.0
122.57406	3.0
125.02411	12.2
148.46703	3.5
150.21539	2.8
163.11295	7.3
167.98521	3.2
169.01367	5.3
179.05533	4.1
207.10277	3.7
209.11830	100.0
210.12119	28.9
221.06685	4.8
225.11191	5.3
227.12833	12.2
235.08209	5.9
235.76793	3.2
277.21710	52.4
278.22043	24.9
379.12509	9.0
397.13467	28.2
398.13824	13.7
415.14532	6.5
886.47711	11.5
946.47906	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	944.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99566	35.7
71.01392	64.6
71.50352	20.2
72.56318	16.6
72.99304	24.0
75.00879	19.4
88.98812	29.6
97.02970	24.3
97.41275	17.4
100.78053	17.1
101.02457	41.1
109.06617	32.9
112.98563	37.9
113.02477	17.8
114.93393	19.3
125.02425	17.7
150.38809	14.8
169.01389	18.8
201.11470	27.4
207.10292	80.5
208.10548	33.3
209.11876	71.9
225.11316	25.7
235.08232	19.2
277.21667	99.3
278.22000	38.4
281.24829	24.5
292.19119	17.7
379.12256	30.8
397.13324	93.6
398.13339	23.7
726.76495	18.3
884.48083	100.0
944.49774	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	944.5052
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	18.4
71.50610	9.3
75.00867	13.2
76.38162	6.5
77.19430	7.5
80.96513	14.2
83.01414	7.8
83.05061	7.5
87.00891	8.4
88.98796	9.9
89.02445	17.1
95.06738	9.2
101.02456	20.3
108.37439	6.8
109.06583	16.2
113.02462	13.8
125.02454	7.3
163.11305	13.7
207.10324	35.7
208.10724	14.5
209.11812	54.2
211.13431	14.1
225.11360	21.6
226.09076	6.4
226.11676	9.8
227.12991	11.9
253.09229	8.9
255.23175	8.9
277.21704	100.0
278.22299	16.0
361.88858	6.9
379.12283	9.7
397.13586	34.5
398.13620	8.3
415.14334	7.7
523.36462	8.1
525.67798	6.9
624.26178	7.6
688.26514	10.5
883.45941	9.1
884.46851	36.2
885.46796	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	943.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05637	1.1
68.99554	1.7
69.03458	2.1
71.01384	21.2
72.99299	3.7
73.02937	2.4
78.47673	1.1
80.02663	1.3
80.82819	1.1
81.03455	4.4
83.01415	2.8
83.05032	3.3
85.02974	6.6
87.00857	5.5
88.98796	3.1
89.01935	1.5
89.02443	19.7
92.98943	1.0
95.01392	2.9
97.02954	12.6
99.00866	4.6
101.02441	16.7
105.01943	3.4
109.06590	36.8
110.03718	1.5
111.04440	1.3
112.98555	1.9
113.02460	10.5
119.03484	3.3
121.06575	3.3
123.04518	1.1
125.02465	7.9
132.16492	1.1
135.08153	3.0
136.05278	1.7
142.02682	4.2
143.03490	3.0
161.04520	2.8
161.09702	2.3
163.11273	19.9
166.71632	1.2
179.05568	3.8
179.10759	1.5
181.12344	7.2
189.09238	2.1
207.10251	100.0
208.10599	5.3
209.11795	4.5
217.07260	1.0
221.06639	3.0
225.11319	48.4
226.11617	1.9
233.51471	1.3
235.08191	4.5
243.12308	2.5
253.09386	1.2
277.21704	53.2
278.22073	4.1
287.07635	1.9
299.14914	1.5
305.08853	1.7
379.12506	7.4
397.13477	44.4
398.13794	3.9
415.14532	12.8
416.14984	1.6
587.23486	2.4
605.24597	10.6
606.25262	2.3
623.25519	8.9
675.35504	1.1
719.85059	1.2
767.61475	1.1
865.46484	2.1
883.46930	63.6
884.47089	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	945.267
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67799	1.3
70.19801	0.2
71.01382	1.3
73.02937	0.5
83.01415	0.4
84.48293	0.2
85.02952	0.6
89.02425	0.3
95.01379	0.3
98.20539	0.4
101.02432	1.0
109.63786	0.2
111.00872	1.2
113.02443	0.4
123.00858	0.5
124.01674	0.9
127.00388	0.6
136.98805	0.9
136.99741	0.2
139.00389	1.2
140.01144	2.3
151.00366	0.4
154.99796	0.3
168.00645	4.7
169.01334	0.3
183.02975	100.0
184.03310	3.6
335.04077	44.2
336.04410	3.0
353.19693	0.3
371.20786	0.7
401.18127	0.6
413.21613	1.6
443.19162	0.8
487.05386	1.4
560.25421	0.3
780.00415	0.3
954.53290	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03454	2.6
69.88903	4.5
69.89308	2.9
71.01375	17.8
72.99306	2.2
73.02933	3.1
75.00863	2.3
83.01395	1.7
85.02946	6.2
86.57153	1.3
87.00858	7.7
88.82173	1.4
88.98810	11.3
89.02438	10.8
95.01328	1.6
97.02956	10.6
97.06545	1.8
99.00876	19.6
101.02435	8.3
104.17616	1.4
109.06562	2.9
113.02443	8.0
116.92828	2.2
119.03441	2.3
125.02447	8.8
125.09736	6.4
135.08095	2.2
136.05292	1.7
137.83359	1.4
142.02690	3.5
143.03450	2.0
161.04581	2.2
163.11296	14.7
179.05608	1.9
181.12315	18.4
199.13364	2.2
207.10252	62.4
208.10556	2.7
221.06648	2.4
225.11301	87.6
226.11649	5.6
235.08087	2.8
243.12357	31.4
263.07660	1.4
277.21692	50.6
278.21979	3.0
317.16000	4.6
379.12299	2.5
397.13419	10.3
605.24530	26.5
606.25153	2.6
623.25549	26.4
624.25702	3.6
883.46942	100.0
884.47192	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	943.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	2.9
69.90245	5.2
71.01015	1.7
71.01381	25.3
72.99292	3.0
73.02926	4.6
81.03447	3.3
83.01388	3.2
83.05016	3.8
85.02961	8.4
87.00866	6.4
88.98779	3.1
89.02449	18.9
95.01366	2.1
97.02929	13.5
99.00878	4.2
101.02444	20.6
109.06595	33.0
113.02439	13.3
119.03484	5.6
125.02463	9.2
135.08125	3.8
136.05281	2.0
140.48358	1.3
142.02695	2.1
143.03453	3.9
145.05029	1.2
161.04526	4.2
161.09621	1.7
163.11269	17.1
179.05530	4.9
181.12299	2.8
189.09175	2.3
190.65550	1.3
207.10242	100.0
208.10611	5.3
209.11835	2.4
221.06589	1.8
225.11302	34.5
226.11644	2.3
235.08292	7.4
243.12427	1.7
277.21701	78.8
278.21927	5.3
287.07632	2.9
305.08856	2.1
379.12286	5.4
397.13483	55.1
398.14117	2.9
415.14487	15.0
424.62234	1.3
438.99606	1.2
490.83557	1.6
580.20923	1.7
587.23694	1.7
605.24774	7.5
623.25439	4.6
675.36243	2.8
677.55646	1.5
865.45398	3.2
883.46863	59.1
884.47479	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	942.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	3.9
71.01380	36.8
73.02939	6.9
80.96516	6.6
85.02937	7.5
87.00891	9.4
88.93941	4.3
89.02445	22.9
91.86994	4.8
97.02968	6.4
98.20695	7.0
101.02446	17.9
109.06583	5.2
113.02441	13.8
116.92846	8.7
125.02502	10.0
143.03568	6.7
161.04475	7.5
179.05504	6.0
195.13895	11.2
205.12346	11.7
207.10313	16.0
209.11885	4.9
221.06712	5.4
223.13382	100.0
224.13680	28.7
225.11354	7.1
235.08253	9.3
255.23347	7.6
277.21747	49.9
278.22046	31.6
301.00006	22.3
397.13437	55.1
398.14069	24.2
415.14832	7.5
416.14795	5.0
511.94156	5.0
603.26672	8.5
604.27106	11.6
605.25439	4.7
621.27295	9.5
622.27869	8.3
861.49792	6.6
882.49670	9.6
942.44128	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	942.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	6.3
71.49918	6.4
72.84009	4.5
80.96529	7.9
88.98799	8.3
96.96005	6.5
99.92590	9.8
109.24590	3.9
116.92864	100.0
117.01894	4.9
117.92870	27.4
125.02525	8.6
147.90256	4.5
200.45084	4.8
248.35696	4.5
308.59573	5.6
383.79013	4.8
397.13162	9.2
507.34814	5.1
938.01025	5.4
942.43835	7.5
943.46106	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	941.514
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	4.5
71.01390	26.0
71.50430	2.9
72.99302	2.9
73.02943	3.4
73.83225	1.6
76.76854	1.5
79.95740	2.2
80.96533	8.0
81.03479	1.6
83.01402	3.9
85.02964	7.5
87.00869	5.4
89.02452	18.6
95.01385	2.4
97.02956	5.8
101.02449	20.1
109.06574	2.7
112.30824	1.4
113.02460	13.2
113.86869	1.9
116.07559	1.7
116.92873	3.4
119.03481	5.7
125.02438	9.7
143.03517	2.9
161.04562	4.7
164.98616	2.5
167.10710	3.4
179.05615	5.1
179.14311	2.9
195.13907	12.9
205.12379	11.0
207.10204	3.9
209.11751	4.5
223.13405	100.0
224.13675	4.7
225.00761	3.5
225.11369	3.4
225.89047	1.8
235.08179	5.4
277.21747	67.6
278.22067	4.8
281.24796	4.8
287.07733	2.3
305.08490	2.0
379.12396	11.4
397.08289	3.2
397.13516	58.4
398.13684	5.7
415.14624	11.4
567.49365	2.0
603.26807	8.6
621.27264	6.0
657.33752	2.5
675.36011	3.7
756.06958	1.7
765.40704	1.9
881.48962	4.8
887.50079	2.3
941.43231	7.8
942.43304	2.0
971.50903	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	939.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01915	1.8
69.03449	1.7
69.61999	3.6
69.62402	1.7
71.01392	1.2
72.99310	0.9
79.01897	2.2
81.03490	1.2
83.01403	1.4
85.02988	1.1
93.03477	0.9
95.01386	14.2
97.02961	4.0
98.19921	0.7
100.16251	0.7
103.45275	0.7
104.31299	0.7
107.01391	8.6
111.00909	3.6
123.00887	33.4
124.01653	3.2
125.02448	90.3
126.02815	2.0
135.04526	1.0
136.98804	2.4
137.02454	1.2
139.00362	4.7
140.01170	5.5
141.01883	1.8
143.05045	1.3
145.02975	2.1
149.02437	1.7
151.00356	2.7
153.01962	0.9
159.04539	1.7
161.02460	3.9
161.06160	1.0
165.01933	1.8
166.99863	13.4
167.03510	1.0
168.00629	9.7
168.11195	0.8
169.01421	100.0
170.01767	2.5
171.04388	1.1
173.02460	0.9
175.04070	1.0
177.01913	2.4
181.01447	1.0
184.13469	0.8
187.03996	2.2
189.01935	1.1
189.05536	2.3
189.89453	0.8
191.03505	2.9
193.01370	2.6
203.03452	0.9
205.01404	3.3
205.05003	1.1
206.02037	1.0
207.02881	1.5
211.02489	4.7
215.03575	1.4
217.05028	2.1
221.00983	1.0
231.02946	1.6
233.04529	2.9
235.02408	1.4
235.67006	0.7
259.02591	1.8
261.04095	2.2
271.04773	1.1
277.03491	4.3
279.05188	1.6
295.04736	3.6
297.05975	1.1
313.05634	6.7
429.04575	1.1
431.06314	3.2
445.02750	0.9
447.05762	4.3
465.06592	4.8
546.96625	0.8
599.06647	3.3
600.06702	1.0
601.08545	3.2
617.07794	12.3
618.07477	1.4
635.09161	3.3
738.25317	0.8
769.08911	44.4
770.09058	6.4
787.09692	11.1
788.10889	3.0
923.01495	0.8
939.11090	15.1
940.11572	3.1
952.16907	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01891	0.6
70.26530	1.0
71.01382	2.1
73.02943	0.8
79.01877	0.7
83.01385	0.5
85.02950	1.1
89.02410	0.3
91.71281	0.3
92.85848	0.3
95.01381	1.0
97.02959	0.3
99.00856	0.3
101.02437	1.1
107.01373	1.6
111.00891	1.1
113.02455	0.8
114.42470	0.3
119.03521	0.3
123.00899	8.5
125.02454	9.2
127.00362	0.4
136.98831	0.9
137.02477	0.3
139.00366	3.7
140.01176	1.8
141.01915	1.1
151.00371	5.3
153.01955	0.5
155.37546	0.3
163.03981	0.4
168.00648	1.9
169.01427	12.6
170.01756	0.6
170.81444	0.3
181.05095	0.4
183.02924	0.4
209.15547	0.4
211.02408	0.6
226.08182	0.3
233.82625	0.3
241.97874	0.3
271.04672	1.1
302.06775	0.3
313.05746	1.1
483.18558	0.8
484.19031	1.1
485.19708	1.4
523.21832	100.0
524.22144	12.1
525.22833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1108
Annotation	1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
67.01886	2.4
69.03454	1.6
69.92886	1.6
69.93283	2.6
71.01406	1.8
79.01893	1.7
81.03452	1.3
83.01367	1.4
84.89274	0.8
95.01386	16.0
97.02968	2.5
101.02472	0.8
105.03512	1.0
107.01379	10.0
109.03010	1.1
111.00877	3.8
119.05070	1.2
123.00891	34.3
124.01652	2.7
125.02450	91.3
125.13464	0.8
126.02797	2.2
136.98853	2.0
137.02457	1.7
139.00377	6.7
140.01146	5.4
141.01933	1.7
143.04970	0.8
145.02946	1.1
146.03751	0.8
147.04396	1.0
151.00317	1.6
151.03931	0.9
155.39297	0.9
159.04509	2.7
161.02438	2.6
161.06158	0.9
163.04089	1.0
165.01953	1.2
166.99869	14.7
168.00653	12.1
169.01421	100.0
170.01720	4.2
170.61966	0.8
173.02515	1.3
175.04001	2.3
177.01938	3.0
179.03482	1.3
187.04008	1.6
189.05598	2.4
190.02692	1.0
191.03462	2.8
193.01404	2.9
199.03947	1.2
203.03441	2.1
205.01401	2.1
205.05022	2.5
207.02980	1.9
211.02498	5.8
215.03499	2.3
217.05064	2.4
221.00809	1.6
231.03113	1.3
233.04539	3.8
235.02472	2.0
249.04033	1.0
257.50137	1.0
259.02487	1.4
261.04019	1.6
277.03503	3.9
279.05011	2.5
295.04449	4.7
300.99832	1.5
313.05786	4.0
314.05963	0.9
337.54068	0.8
387.07269	1.1
429.04507	1.5
431.06161	3.9
446.95984	0.8
447.05869	4.9
465.06818	4.1
599.06647	3.6
600.06824	1.0
601.08441	2.9
617.07825	11.5
618.09045	0.9
625.29095	1.2
644.93274	1.1
769.08960	48.7
770.09467	9.0
787.10266	7.2
788.10718	1.9
939.11005	14.5
940.10669	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	939.1105
Annotation	1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
67.01884	2.5
69.03436	2.6
69.16843	5.6
69.17265	5.1
71.61259	1.1
72.99281	1.0
73.28949	1.1
79.01882	2.2
81.03455	1.2
81.11705	1.0
83.01397	1.1
94.97520	1.2
95.01389	15.4
97.02946	3.2
98.20643	2.6
107.01407	9.8
111.00862	3.7
117.03431	1.5
123.00889	35.4
124.01658	3.6
125.02448	91.3
126.02810	2.6
127.00365	1.9
136.98784	1.2
139.00322	6.7
140.01187	5.0
141.01894	2.0
143.04956	1.4
145.02899	1.3
145.04030	1.3
149.02463	2.0
151.00356	2.6
159.04475	1.3
161.02415	3.2
161.06067	1.5
166.99872	14.8
168.00685	8.9
169.01424	100.0
170.01762	2.6
175.04001	1.9
177.01917	2.3
183.48538	1.1
187.03839	1.5
189.05580	2.3
191.03464	2.3
193.01387	3.5
196.67245	1.1
205.01436	3.6
205.04965	2.3
207.02939	2.0
211.02373	5.4
215.03491	2.3
217.05032	3.2
221.00858	2.0
231.02936	1.9
233.04535	2.4
235.02481	2.4
249.03792	1.1
259.02460	2.5
261.04028	2.1
263.05634	1.2
277.03473	3.6
279.05078	3.5
295.04572	4.5
313.05579	4.5
388.26529	1.1
403.06491	1.4
429.04419	1.4
431.05978	3.8
447.05893	5.4
449.07123	1.6
465.06686	5.1
502.69708	1.2
526.79492	1.4
599.06860	3.3
601.08069	3.2
617.07819	15.8
618.08087	1.8
635.08795	1.4
769.08942	63.2
770.08844	10.1
787.10309	9.6
939.10980	18.4
940.10571	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	937.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	3.0
71.01380	58.3
71.05033	1.4
72.99330	2.0
73.02950	5.2
78.95920	2.4
81.03452	3.8
82.95400	3.2
83.01369	2.6
83.05070	2.6
85.02949	6.3
87.00879	6.5
89.02445	22.6
92.58000	1.6
95.01405	2.2
96.96014	5.3
97.02954	10.3
98.20784	3.7
99.00900	6.7
101.02438	25.9
109.06593	32.4
110.03743	1.8
111.00827	1.6
112.98587	1.7
113.02457	12.6
113.77969	1.4
119.03497	7.3
121.02992	1.7
121.06539	2.7
125.02418	7.8
135.08154	3.3
141.01964	2.4
142.02704	1.7
143.03497	4.8
161.04544	5.4
161.09735	2.5
163.11287	22.4
169.01471	2.2
171.10284	8.2
179.05708	7.8
181.12375	6.7
197.11826	2.0
199.09753	3.4
200.90977	1.7
201.11299	2.1
207.10251	100.0
208.10616	5.1
209.11823	12.6
221.06609	5.3
225.11316	67.4
226.11708	2.6
235.08165	9.5
243.12326	3.6
253.09222	3.0
277.21707	74.4
278.22107	5.1
305.08511	2.3
323.10052	2.0
379.12555	7.5
397.13501	53.8
398.13922	2.4
415.14642	19.4
416.14627	1.8
441.33987	1.8
485.32925	2.0
605.24438	9.7
623.25537	21.1
624.25977	3.9
675.34943	2.8
883.46936	47.9
884.47699	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	39.7
72.04429	8.0
72.99330	16.7
75.00873	8.6
85.24342	6.5
86.15889	7.2
87.00908	7.8
87.87470	7.9
89.02429	11.0
97.02947	11.2
98.20746	17.8
101.02444	17.3
113.02468	8.7
116.92870	46.9
125.02438	10.7
171.10211	7.9
184.54898	8.1
201.78896	8.0
207.10260	9.6
209.11835	15.1
211.13387	100.0
225.11382	9.1
229.51193	9.1
235.08281	11.0
277.21747	63.9
301.00024	11.2
315.19055	7.6
379.12567	18.7
397.13492	70.2
398.13708	11.2
591.26440	16.0
675.36237	12.0
937.48932	57.7
938.50024	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	937.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	39.7
72.04429	8.0
72.99330	16.7
75.00873	8.6
85.24342	6.5
86.15889	7.2
87.00908	7.8
87.87470	7.9
89.02429	11.0
97.02947	11.2
98.20746	17.8
101.02444	17.3
113.02468	8.7
116.92870	46.9
125.02438	10.7
171.10211	7.9
184.54898	8.1
201.78896	8.0
207.10260	9.6
209.11835	15.1
211.13387	100.0
225.11382	9.1
229.51193	9.1
235.08281	11.0
277.21747	63.9
301.00024	11.2
315.19055	7.6
379.12567	18.7
397.13492	70.2
398.13708	11.2
591.26440	16.0
675.36237	12.0
937.48932	57.7
938.50024	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	937.371
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01885	0.9
69.03448	0.7
69.24686	3.8
71.01390	3.0
73.02950	0.6
79.01887	1.1
83.01392	0.8
85.02950	1.1
89.02442	0.7
94.53235	0.5
95.01407	2.0
97.02953	0.8
101.02438	2.1
107.01392	4.2
109.02972	0.4
111.00905	1.7
113.02464	1.2
123.00894	14.1
123.04504	0.5
124.01692	1.0
125.02445	18.0
126.02717	0.4
127.00358	1.0
132.32747	0.4
136.98772	1.5
139.00368	5.6
140.01180	3.2
141.01927	1.5
147.61966	0.4
151.00368	10.6
153.01898	0.8
154.99866	0.4
166.99846	0.8
168.00647	3.5
169.01430	20.9
170.01756	1.1
181.05107	0.6
187.66249	0.4
191.07239	0.5
191.27689	0.4
211.02467	1.8
271.04559	1.7
300.99747	1.9
313.05615	1.8
348.48499	0.5
413.14514	48.0
414.14819	4.2
523.21832	100.0
524.22162	14.6
616.17621	0.4
644.22516	0.5
665.78918	0.4
767.10773	1.7
925.57513	0.5
937.12286	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50625	6.3
70.50995	5.5
71.01371	14.3
75.99194	2.8
78.95900	4.1
79.95724	3.5
85.02964	3.6
87.38942	2.9
89.02453	14.1
96.96004	12.3
97.02975	3.8
101.02445	8.5
113.02409	6.1
116.92864	16.3
119.03551	3.4
123.00910	3.1
125.02450	16.9
125.09684	4.6
128.40663	3.2
149.04639	3.6
161.04559	5.4
168.00620	3.1
169.01402	15.2
171.10228	4.0
179.05554	7.7
183.02971	12.0
195.13939	7.2
201.11403	3.0
207.10120	3.3
209.11830	73.8
210.12231	4.5
211.13345	4.6
223.13362	5.9
227.12823	19.0
291.19873	3.1
293.21234	100.0
294.21631	11.8
300.99664	6.0
309.20544	3.4
341.23270	6.9
379.12427	4.8
397.13449	43.8
398.14026	3.3
415.14233	13.4
469.05475	3.2
607.26208	3.5
691.35052	8.2
774.64276	3.2
776.77051	3.1
937.45642	37.9
938.45905	12.1
971.75427	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	937.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	15.3
71.50603	6.1
73.02950	3.7
75.68505	3.3
78.95914	5.7
83.05021	3.6
87.00879	3.5
88.98798	4.5
89.02441	10.8
95.01410	4.6
96.96006	19.0
97.02946	6.1
100.77386	3.1
101.02454	11.8
113.02464	7.9
116.92867	12.8
119.03513	4.8
121.02925	2.9
125.02449	13.4
135.63628	3.6
149.04634	4.1
161.04573	4.5
163.11211	3.4
168.00676	3.5
169.01381	9.3
169.12204	3.8
171.10251	7.6
179.05591	7.5
181.01453	4.9
183.02959	9.9
195.13899	5.0
209.11832	100.0
210.12221	5.4
211.28282	3.0
219.10080	3.1
223.13390	5.3
225.11208	3.3
227.12845	20.9
235.08324	4.8
253.09152	4.8
293.21231	95.7
294.21539	11.7
295.22733	5.1
300.99863	4.6
309.20349	3.4
379.12579	6.4
397.13492	57.9
398.13766	8.9
415.14450	14.9
469.04965	5.5
589.24170	5.4
607.26062	14.1
937.45959	49.0
938.46387	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	937.0951
Annotation	Punicafolin
Peak:m/z	Relative Intensity
67.01899	0.4
69.03456	0.3
69.87923	1.4
71.01386	0.5
80.77125	0.3
85.02967	0.4
90.90441	0.2
95.01395	1.6
98.15698	0.2
98.20631	0.5
101.02467	0.3
104.82920	0.3
107.01392	2.1
111.00848	0.7
113.02445	0.4
117.03470	0.3
119.04958	0.3
123.00874	3.1
124.01674	0.6
125.02443	11.0
126.02698	0.2
129.03407	0.4
133.02940	0.6
137.02463	0.4
139.00328	0.9
140.01172	0.6
145.02943	1.6
147.04529	1.0
149.02408	0.5
151.00351	0.8
157.02895	0.8
159.04498	0.8
161.02444	0.9
163.04018	1.1
165.01929	0.3
166.99905	0.8
168.00624	0.6
169.01425	9.9
170.01686	0.3
173.02472	1.9
175.03984	1.1
177.01881	0.8
185.02435	2.5
189.01889	1.3
190.02666	0.4
191.03473	1.0
193.01434	0.6
201.01958	2.5
202.02377	0.4
203.03497	2.3
211.02493	0.6
213.01936	0.4
214.02766	0.3
217.01413	1.3
219.02974	0.8
226.99889	0.6
229.01418	5.0
230.01878	0.6
231.02930	2.3
245.00903	2.7
247.02473	0.8
248.03227	1.4
249.04053	3.7
257.00922	3.6
258.01608	1.0
259.02203	0.3
267.02960	0.4
271.99753	0.4
273.00378	3.2
274.01144	1.1
275.01959	9.5
276.02310	0.6
283.99670	2.6
285.00299	0.3
291.01413	0.6
297.03894	0.3
299.99158	2.9
300.02365	0.5
300.99884	100.0
302.00208	6.5
313.05685	3.0
323.02304	0.3
355.04294	0.4
401.05109	0.3
445.03995	0.4
463.05222	0.3
465.06747	11.5
466.06897	0.8
494.41364	0.3
500.82300	0.3
553.06421	0.5
597.04907	0.3
615.06219	0.4
633.07086	0.5
715.32666	0.3
767.07343	7.5
768.07825	1.3
781.54547	0.4
785.08960	1.1
786.09222	0.4
815.44183	0.3
937.09814	7.8
938.10461	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	935.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
67.09854	1.5
69.03440	2.7
71.01382	29.4
71.50925	2.7
72.99300	3.1
73.02934	3.6
81.03451	3.6
83.01381	3.7
83.05025	7.0
85.02944	6.8
87.00883	5.7
89.02439	22.3
95.01378	3.9
95.05006	2.2
96.96006	20.2
97.02946	5.5
98.95587	2.9
99.00882	3.3
101.02454	18.7
102.05605	2.8
109.06602	2.0
111.08162	9.5
112.98570	1.9
113.02470	11.4
115.05244	1.6
116.92871	3.9
119.03503	7.3
121.03011	2.3
125.02456	16.9
125.09709	2.9
127.11301	5.8
131.03488	1.7
143.03482	2.9
155.10806	1.7
161.04524	5.1
163.11287	3.3
165.09225	3.1
165.12810	4.9
169.01443	12.3
169.12376	5.5
171.10237	8.4
179.05580	6.0
181.12265	3.2
183.13960	1.9
197.11815	56.1
198.12209	3.6
199.13437	3.4
201.11322	80.9
202.11655	5.0
207.10287	3.2
209.11819	99.1
210.12199	5.2
211.13429	13.3
221.06606	3.2
225.11295	6.2
227.12901	16.6
229.14394	2.2
230.39470	1.9
235.08215	7.6
253.09152	2.1
263.20212	4.6
275.01892	2.7
291.19632	21.9
292.20181	2.3
300.99820	6.9
305.08682	3.0
309.20706	100.0
310.21042	13.1
325.38861	2.2
327.21729	11.9
341.23355	2.8
379.12308	2.3
397.13483	60.6
398.13608	5.8
415.14551	26.2
469.04984	5.8
493.31400	2.2
581.24408	2.3
586.41791	1.9
595.25482	1.6
599.25568	5.2
607.26105	3.3
689.33533	3.7
707.35284	7.8
935.48627	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	935.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	1.8
69.18042	0.7
69.18440	3.7
71.01382	15.7
71.05006	0.9
72.99307	1.3
73.02942	1.8
75.00889	0.6
78.95910	0.6
80.02683	0.7
81.03433	2.4
82.55978	0.4
83.01381	1.2
83.05022	4.5
84.02158	1.0
85.02943	5.1
87.00877	3.4
89.02449	10.3
95.01402	1.4
95.05026	1.1
96.96010	4.4
97.02974	2.4
97.06583	3.2
98.19924	0.6
99.00863	0.8
100.95531	0.4
101.02444	8.5
102.05587	0.5
109.06586	1.9
111.04472	0.4
113.02449	4.6
115.04108	0.4
116.92929	0.6
119.03497	2.3
123.00877	1.1
123.08202	0.5
125.02447	5.3
125.09727	1.4
127.11295	1.4
128.03539	0.7
131.03508	0.6
137.09703	0.9
143.03514	1.4
146.04572	1.4
147.11807	0.4
149.04588	0.5
155.10779	1.3
161.04633	2.2
163.11308	4.1
165.12831	2.5
167.14406	0.8
169.01390	1.7
171.10251	9.8
172.10722	0.5
177.12877	0.5
179.05568	2.6
181.12349	0.9
183.13895	2.5
185.11829	1.7
193.12358	0.9
193.81413	0.4
197.11852	0.7
199.13412	0.7
201.11368	0.6
207.10219	2.6
209.11818	59.8
210.12129	3.3
211.13373	16.0
211.15410	0.6
212.13686	1.2
221.06647	1.6
221.11848	2.3
225.11366	2.3
227.12851	7.8
229.14423	13.1
230.14795	0.6
235.08202	3.5
239.12878	1.7
243.12436	0.6
247.20674	0.6
253.09242	0.8
263.07629	0.5
275.02222	0.4
287.07840	1.4
291.19623	5.0
299.99115	0.6
300.99792	2.2
305.08759	1.7
307.02356	0.4
309.20679	8.4
310.21078	0.6
323.09866	0.7
327.21744	100.0
328.22070	8.4
379.12659	1.1
397.13489	29.8
398.13937	2.2
415.08948	0.8
415.14542	15.7
416.14960	0.8
471.25787	0.5
519.33185	1.7
527.28223	0.4
537.34833	0.7
607.25781	2.3
623.25977	0.5
707.35034	3.3
708.35065	0.6
725.36395	3.8
726.36346	0.7
876.60309	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01375	1.2
72.99309	0.4
82.65027	0.4
83.01366	0.9
93.03485	0.4
95.01375	0.5
97.02951	0.6
101.02472	0.4
107.01399	3.1
110.00063	0.6
111.00878	2.7
123.00848	2.0
124.01646	1.5
125.02449	18.9
127.00359	1.2
136.98796	1.7
139.00392	2.9
140.01169	3.3
151.00345	2.8
158.29076	0.4
160.67531	0.4
168.00641	7.4
169.01418	28.2
170.01736	0.9
183.02974	100.0
184.03284	3.7
198.16913	0.4
211.02406	0.7
213.05602	0.5
227.03465	3.7
229.05043	1.0
241.03513	1.6
245.00868	0.4
255.02994	7.6
256.03543	1.1
257.04538	0.8
273.00378	0.7
284.03235	13.2
285.04016	10.5
286.04388	0.7
298.98441	0.6
300.99921	2.2
313.05627	7.6
335.04050	12.2
336.04385	0.8
447.09305	1.3
500.84891	0.5
599.10400	72.3
600.10852	10.1
677.40448	0.5
812.49359	0.5
872.87292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89412	0.3
65.00306	0.4
67.01881	0.3
70.06020	1.0
71.01370	0.5
78.11512	0.3
80.71883	0.3
83.01382	0.8
91.01907	0.3
93.03465	0.7
95.01402	0.4
96.68263	0.3
107.01404	2.7
109.02949	0.6
110.00037	0.3
111.00880	1.8
113.02593	0.3
117.03481	0.4
122.53432	0.3
123.00852	1.5
123.79598	0.3
124.01617	1.3
125.02438	1.3
125.18882	0.3
127.00370	0.8
135.00850	0.4
136.57471	0.3
136.98814	1.7
139.00375	2.4
140.01161	3.0
143.04987	0.5
150.99196	0.4
151.00369	5.9
152.00734	0.3
154.04230	0.3
154.99889	0.4
157.06490	0.3
159.04544	0.7
163.00346	1.3
165.01855	0.3
167.05005	0.4
168.00636	6.0
169.01419	2.6
169.06627	0.4
171.04503	0.4
183.02975	100.0
184.03320	3.4
185.06009	1.4
187.03963	1.5
195.04503	0.3
197.06064	0.4
199.03888	0.3
201.05630	0.4
211.03999	0.8
213.05585	1.2
226.68790	0.3
227.03438	0.7
229.05052	5.2
230.05402	0.4
239.03517	0.7
240.04309	0.6
241.05016	1.0
255.02892	0.4
256.03888	0.4
257.04541	5.1
267.02975	0.4
284.03183	0.3
285.04037	85.7
286.04404	5.1
301.00082	0.4
313.05658	13.0
314.06195	0.8
335.04059	15.5
336.04358	0.8
447.09775	0.3
455.00641	0.3
487.37692	0.3
599.10425	9.4
600.10492	1.3
765.51379	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	1.6
67.01873	1.4
69.03461	1.4
71.01392	1.8
71.51893	1.1
79.01890	0.9
89.03938	0.9
95.01387	8.8
97.02962	1.2
107.01385	7.0
111.00846	2.0
117.03463	4.1
119.05048	1.8
121.02933	0.8
121.46317	0.7
123.00040	1.0
123.00896	12.4
125.02443	38.3
126.02843	0.8
129.03450	1.6
131.05042	0.8
132.02162	0.9
133.02969	5.3
136.98814	1.1
137.02469	1.7
139.00348	2.0
140.01134	1.9
141.01886	1.0
143.01373	2.3
145.01889	1.2
145.02956	13.3
147.04501	1.9
148.01578	0.9
149.02438	2.5
151.00323	1.4
156.02092	0.9
157.02940	3.5
159.00873	1.3
159.04501	0.7
160.01613	1.3
161.02448	10.9
163.00386	2.8
163.04054	4.2
166.99829	5.4
168.00597	2.5
169.01418	37.7
170.01761	1.4
171.00864	6.9
172.01558	2.4
173.02435	14.0
175.00424	1.3
175.04002	3.4
177.01913	3.6
177.74159	0.8
183.02974	10.6
185.02415	3.4
187.00314	2.3
187.04013	1.3
189.01915	14.5
190.02621	1.7
191.03418	4.0
191.84090	0.7
193.01460	1.6
199.00359	5.0
200.01138	3.1
201.01936	15.7
202.02321	0.8
203.03479	3.0
205.01437	1.8
207.02855	1.2
209.00888	0.9
211.02309	1.0
213.01874	1.2
214.99864	2.9
215.03554	0.9
216.00569	3.4
217.01387	21.8
218.02060	1.8
219.02991	2.9
221.04552	0.9
226.02736	1.0
226.99876	8.0
227.03407	1.9
228.00554	2.2
229.01387	18.6
230.02013	3.1
231.02962	6.8
233.00821	1.0
235.02489	1.5
239.03407	0.9
242.99345	4.9
243.02972	1.7
244.00066	3.4
245.00900	40.8
246.01379	2.8
247.02486	7.8
249.04022	1.4
251.03448	1.0
254.99339	2.3
255.02910	2.1
256.00052	0.8
257.00909	7.7
257.03427	1.2
258.01602	2.2
259.02341	1.2
261.00412	3.6
267.03070	1.7
270.98843	14.0
271.99475	2.9
273.00397	71.7
274.01016	7.9
275.01941	16.0
276.02362	1.3
277.03375	1.0
279.02695	0.9
280.03632	0.8
281.04373	1.0
282.01575	1.0
283.02493	1.3
283.99612	1.6
284.03040	1.0
285.03729	1.1
288.99854	2.2
290.00632	0.9
291.01306	3.7
293.04544	1.1
295.04565	2.6
298.98373	28.2
299.01758	2.1
299.99045	14.4
300.02219	0.9
300.99881	100.0
302.00214	6.5
309.04333	0.9
311.01865	1.1
313.05505	2.6
316.99426	9.8
317.99554	1.0
327.01401	1.5
335.04160	1.2
337.03284	1.0
339.04962	1.1
343.00888	2.8
383.03732	1.8
401.05176	1.2
445.04123	1.3
447.05215	1.2
463.05109	1.0
465.06705	6.7
551.05182	1.4
551.55096	1.1
553.06195	4.2
569.04907	1.4
571.07172	1.0
579.03845	2.4
580.04572	1.1
581.05286	1.2
597.05750	4.1
599.10504	4.6
615.06433	1.8
617.07788	14.5
618.07983	1.1
721.06580	1.5
723.08551	1.4
747.04193	4.7
749.06268	24.8
750.06696	3.0
765.05737	2.3
766.93585	1.7
767.07379	21.7
768.07520	3.6
873.08917	0.9
917.07080	14.3
918.07385	2.5
935.08545	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	934.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99568	27.8
70.24554	15.4
71.01384	100.0
71.50505	15.4
78.95910	33.8
79.95727	35.1
80.91662	19.6
80.96529	19.5
85.02972	25.7
88.98801	24.4
89.02444	19.8
96.96004	52.9
97.02980	17.6
101.02456	33.4
102.92879	13.4
111.04417	18.0
112.98573	26.4
125.02445	48.6
163.11316	20.2
169.01505	32.4
169.12320	42.3
171.10245	56.7
206.95110	18.2
207.10223	47.0
208.10674	26.6
209.11790	53.3
211.13336	43.8
225.11267	47.7
281.35083	17.5
291.19702	19.0
293.20966	22.3
300.99878	33.3
309.20691	34.5
327.21677	29.6
397.13275	41.8
415.14133	17.2
451.15881	17.0
558.22797	16.3
819.36487	53.3
860.52881	21.0
916.46863	23.6
934.47095	59.8
953.00592	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40165	2.4
83.01376	0.3
93.03442	0.3
95.01395	0.9
103.71928	0.3
117.03445	0.5
119.05041	0.6
121.02885	0.3
123.00893	1.5
125.02446	2.3
129.03488	0.5
133.02942	0.9
137.02443	0.3
143.04941	0.3
145.02928	2.2
147.04523	0.9
149.02361	0.4
157.02930	0.9
159.04506	0.9
161.02444	1.2
163.00403	0.6
163.04048	1.7
169.01405	2.1
172.01759	0.4
173.02409	2.5
174.02977	0.4
175.03960	1.4
177.01932	1.0
185.02441	3.3
187.03996	0.4
189.01923	2.0
190.02626	0.8
191.03529	1.5
193.01373	0.4
197.44102	0.3
199.00256	0.5
200.01106	0.5
201.01917	3.6
202.02414	0.4
203.03482	2.9
205.01323	0.5
213.01935	1.0
214.99889	0.7
216.00584	0.8
217.01395	2.5
218.02007	0.5
219.02988	0.7
226.99817	0.6
228.00676	0.5
229.01393	6.9
230.01874	0.7
231.02931	2.0
232.03473	0.4
242.99397	0.4
244.00084	0.8
245.00906	4.9
246.01439	0.5
247.02403	1.9
248.03206	0.5
249.03964	2.1
257.00906	5.3
258.01529	1.5
269.04361	0.3
270.98730	1.0
271.99515	0.5
273.00366	4.7
274.01077	2.0
275.01968	16.2
276.02209	1.0
283.99640	3.0
285.00018	0.5
291.01431	0.6
298.98279	1.3
299.99094	11.8
300.02527	0.7
300.99878	100.0
302.00220	7.4
303.00543	1.1
315.01572	1.4
339.05087	0.4
343.01001	1.7
401.05215	0.4
419.06302	0.5
445.04031	0.7
462.98962	0.5
463.05179	7.4
464.05569	1.2
499.18329	1.2
500.18408	1.0
716.51013	0.4
765.05841	1.9
766.06256	0.3
935.07684	4.7
936.08209	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	2.1
71.01380	100.0
71.50494	3.1
72.39172	1.8
72.99303	2.2
73.02946	6.5
78.95914	3.6
79.95741	7.8
80.96518	9.8
81.03450	2.3
83.01370	3.5
83.04990	5.3
85.02942	5.7
87.00865	8.1
89.02456	18.2
95.01415	3.2
95.05020	2.2
96.96008	32.0
96.96969	2.6
97.02982	10.1
97.06602	2.1
99.00889	6.0
101.02460	19.7
109.06593	19.2
113.02428	12.9
116.92921	2.6
119.03508	6.9
125.02481	10.8
125.09721	2.0
135.08102	2.4
143.03587	2.1
161.04517	4.8
163.11304	15.0
169.01405	3.2
171.10281	19.6
179.05592	5.8
181.12334	8.6
189.09256	2.7
197.11842	3.6
199.09642	3.1
199.13324	4.1
201.11351	9.8
207.10251	57.3
208.10606	3.4
209.11803	5.4
221.06660	2.4
225.11327	41.4
226.11792	2.9
235.08189	6.6
243.12373	6.1
247.02415	4.0
253.09280	2.1
255.23256	11.8
277.21722	53.6
278.21902	3.4
309.20691	8.7
379.12521	3.7
397.13474	34.9
398.13708	3.1
415.14572	9.5
487.63510	2.2
512.52655	2.7
553.80981	2.2
605.24365	6.2
623.25323	5.9
763.35583	4.5
835.46326	2.9
861.48267	5.7
883.46832	20.7
884.46997	9.1
901.47748	5.5
916.09497	2.2
933.50220	21.6
934.49847	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	933.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
65.10281	2.4
65.43516	2.3
66.70859	2.5
67.25290	2.2
68.99536	3.9
69.03448	3.7
71.01379	100.0
71.49819	2.8
71.50248	3.1
73.02938	5.7
73.37835	2.3
78.91883	3.8
78.95914	3.2
79.95728	12.8
80.96498	17.6
83.05034	3.7
85.02948	8.3
85.90852	2.4
87.00904	11.7
89.02445	21.7
94.98074	4.3
95.01388	3.3
96.96023	5.4
97.02946	9.1
97.06583	2.5
99.00871	6.1
101.02455	21.9
109.06602	19.9
110.03772	2.8
112.98615	3.0
113.02446	8.0
115.00340	6.6
119.03474	5.0
125.02449	14.4
125.09703	4.8
135.08136	3.4
146.36624	2.3
161.04527	6.9
163.11295	14.8
164.98749	2.4
169.01395	5.8
171.10258	24.2
175.02487	20.2
179.05656	5.2
181.12354	12.4
191.05560	4.8
197.11784	2.3
199.09792	3.1
199.13341	4.0
201.11313	9.9
207.10258	61.3
208.10706	2.5
209.11824	7.9
225.00719	6.0
225.11331	50.4
226.11655	3.4
235.08347	4.9
243.12340	8.5
255.23250	8.5
263.43378	2.6
277.21701	50.1
278.22028	4.2
300.99979	2.9
305.08386	2.8
309.20599	5.9
379.12515	5.7
397.13516	37.1
415.14597	10.4
478.11716	2.7
480.58176	2.6
605.24188	5.1
623.25439	9.5
763.36749	3.4
861.48926	3.8
883.47229	24.3
884.47736	7.3
901.48187	11.9
933.50244	29.9
934.50397	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	933.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	5.6
70.25502	3.3
71.01385	80.9
72.99290	3.0
73.02950	14.0
81.03465	3.7
83.01391	5.7
83.05032	5.4
85.02946	13.3
87.00896	10.6
89.02449	31.2
89.84139	1.3
91.26218	1.2
91.56081	1.6
93.03453	1.4
95.01403	5.0
95.05022	4.7
96.96011	18.3
96.96971	2.2
97.02953	14.5
97.06603	3.9
97.83137	1.2
98.20540	1.8
99.00901	4.4
101.02449	25.7
109.02938	2.0
109.06586	7.3
110.03764	1.8
111.00850	1.6
111.08149	5.7
113.02451	18.9
119.03500	6.0
123.04501	2.1
125.02468	13.7
125.06065	2.1
125.09750	7.7
127.11268	4.9
135.08148	3.5
137.09724	4.0
139.07661	1.5
141.01952	2.2
143.03500	4.9
149.09676	2.4
151.11314	1.4
151.75499	1.4
153.12849	2.8
155.10791	2.9
155.73906	1.5
161.04591	5.3
161.09599	2.4
163.11345	13.6
165.09229	3.5
165.12869	7.6
167.10724	1.5
169.12323	2.5
171.10283	57.9
172.10590	3.2
179.05629	10.2
179.10764	2.7
181.12341	8.4
185.11853	5.8
189.09290	1.9
193.12407	2.5
197.11824	20.8
201.11320	42.1
207.10283	25.3
208.10530	2.4
209.11823	51.3
210.12209	2.4
211.13400	13.1
215.12801	4.2
221.06702	4.0
225.11325	62.7
226.11613	2.3
227.12859	8.8
235.08191	9.7
243.09721	1.7
243.12340	6.4
245.19107	1.8
247.20660	3.7
253.09378	4.4
273.18579	3.1
277.09457	1.7
287.07697	1.7
289.18115	11.5
291.19678	41.5
292.20050	2.7
305.08694	3.0
307.19189	7.6
309.20715	100.0
310.21198	8.3
333.20911	1.7
341.23264	9.9
379.12344	5.5
397.13498	58.8
398.13858	3.3
415.14581	25.1
416.14615	1.8
421.13550	1.5
439.14517	3.9
525.33215	1.8
569.24261	1.7
605.24469	5.3
623.25549	8.0
689.33734	1.7
694.28223	1.8
707.35553	3.3
915.45758	12.7
933.47571	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	933.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42210	1.2
67.89933	1.3
68.45995	1.2
69.03455	1.5
71.01385	100.0
72.01729	1.6
72.99292	1.8
73.02951	4.9
78.91896	1.7
78.95905	2.5
79.95752	3.0
80.96523	4.8
81.03462	1.7
85.02966	5.6
87.00882	6.3
89.02453	10.5
94.98073	3.3
95.01414	1.7
95.05006	1.3
96.96012	3.2
97.02943	4.3
99.00880	3.5
101.02440	10.9
109.06621	7.0
110.03736	1.6
111.00887	1.5
111.08168	4.4
113.02443	5.5
115.00343	2.5
119.03443	1.8
125.02443	5.8
125.09732	2.4
128.03574	1.3
152.99612	1.3
153.12820	1.4
161.04588	2.6
163.11261	4.1
169.01370	2.3
169.12354	2.4
171.10289	13.2
175.02463	3.5
179.05594	2.4
181.12340	3.9
183.03008	3.5
197.11852	31.4
199.13348	2.1
201.11340	11.9
207.10226	18.5
209.11810	5.6
210.11987	1.1
211.13380	4.7
215.12863	1.6
221.06711	2.1
225.00706	1.6
225.11301	22.9
226.11674	1.6
227.12695	1.3
235.08224	2.9
243.12244	3.4
253.09457	1.7
265.18015	1.5
277.21619	3.7
291.19653	9.3
305.08661	1.3
309.20715	43.0
310.21182	2.3
311.84314	1.1
379.12405	2.2
397.13626	17.0
415.14523	8.4
439.14249	1.2
565.68066	1.3
605.24664	2.2
607.36774	1.4
623.25397	5.6
915.45526	7.3
916.46960	2.3
933.47754	10.1
935.72504	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	932.523
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36486	35.7
69.36892	73.9
71.01392	89.2
78.95882	25.9
79.95718	30.9
80.96518	41.8
89.02426	15.3
96.96027	100.0
101.02418	18.9
125.02399	39.4
125.09687	18.9
164.98515	13.4
169.01451	25.8
171.10268	16.3
197.11789	30.9
209.11816	27.1
211.13356	22.3
225.11241	22.7
227.12758	18.5
253.09004	16.4
309.20673	41.4
342.23544	14.8
397.13699	27.0
599.02020	15.9
644.52893	15.0
792.55127	14.4
818.09705	13.8
932.45209	15.2
933.48669	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31358	0.8
69.03442	2.4
71.01384	100.0
71.33792	1.3
72.01747	1.6
72.99307	1.5
73.02954	3.3
78.91910	2.2
78.95904	1.5
79.95737	3.7
80.96528	3.7
83.01390	2.1
83.05025	1.5
85.02959	3.9
87.00900	5.6
89.02455	10.0
94.02588	0.9
94.98117	1.3
95.01422	1.7
96.96003	3.8
97.02953	5.0
99.00876	3.0
101.02458	9.8
109.06596	7.4
111.00910	1.0
111.08154	5.8
113.02482	4.8
115.00347	2.2
119.03468	1.6
121.99151	1.1
125.02477	7.1
125.09744	1.5
127.11237	1.5
134.36403	1.0
143.03503	2.3
155.10808	1.5
161.04562	3.0
163.11305	4.2
164.98555	1.3
169.01442	2.2
169.12355	2.5
171.10275	17.7
175.02467	4.4
179.05641	2.8
181.12366	2.5
189.09241	1.3
197.11829	25.3
198.12097	2.2
199.13412	1.6
201.11325	11.1
202.11601	1.1
207.10251	20.4
208.10626	1.3
209.11861	4.8
211.13394	4.1
215.13026	1.5
221.06639	1.6
225.11316	22.1
227.12749	1.2
230.21254	1.3
235.08270	2.5
243.12436	1.9
253.09175	1.6
263.19958	1.1
270.62857	1.0
277.21689	2.4
277.90643	0.9
291.19733	8.9
300.99930	1.6
309.20734	36.7
310.20993	4.2
373.61932	1.1
397.13437	17.9
398.13513	1.2
403.65347	1.1
415.14554	8.4
416.14780	1.2
605.25342	2.5
623.25104	5.5
847.40887	1.9
901.47650	1.4
915.46307	6.3
916.45667	2.4
933.47571	13.1
934.48309	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	931.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03481	3.5
71.01388	11.8
71.49593	3.3
78.95889	2.6
85.02993	3.3
87.00896	3.6
89.02451	9.7
101.02440	9.9
113.02480	6.2
119.03471	3.8
121.02970	4.5
125.02423	6.7
152.46225	3.0
153.75621	2.7
161.04652	4.1
169.01402	2.9
191.75273	3.1
209.04518	4.2
209.11832	100.0
209.13814	6.0
210.12239	7.2
227.12927	25.2
234.09624	2.9
235.08247	8.1
243.90500	2.9
255.23247	50.6
266.38156	2.7
300.77185	3.2
305.08926	4.0
379.12637	23.3
397.13535	64.0
398.13818	7.6
415.14459	10.8
589.25195	8.6
607.25989	7.5
635.36310	11.1
653.37830	14.5
654.38373	3.7
845.48584	9.9
863.49042	4.0
866.45270	3.1
905.44489	3.7
931.50562	44.1
932.50543	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	932.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34817	12.1
70.34995	21.3
70.35371	23.7
71.01385	100.0
72.44782	13.1
79.95705	14.6
80.96510	30.3
87.00865	13.2
96.95992	33.7
101.02431	18.9
130.86995	12.1
143.03328	14.0
157.04803	12.8
171.10303	25.3
192.59167	14.8
197.11897	26.2
207.10226	27.1
209.11801	20.5
225.11346	21.9
235.60448	12.2
240.94133	12.6
255.23235	47.6
277.21664	21.1
293.20844	12.8
309.20660	17.1
310.80347	16.9
397.13425	48.5
418.40292	12.0
556.20715	13.2
587.62030	15.6
756.38910	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	932.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24316	9.8
71.01385	100.0
73.02946	17.8
79.95732	10.6
80.96513	26.0
85.02974	15.4
87.00915	13.6
89.02446	29.1
99.00894	10.3
101.02451	38.5
105.84076	11.6
113.02473	14.9
125.02467	18.7
171.10275	42.6
197.11908	20.8
199.09784	19.1
201.11346	37.9
206.04999	10.0
207.10239	27.4
209.11862	12.7
225.11374	35.2
235.08276	14.7
255.23280	82.9
277.21698	13.2
300.74301	10.4
311.22229	10.3
330.34134	10.8
340.97147	11.3
341.05145	13.9
359.89795	11.3
397.13327	64.9
431.63629	11.5
494.40948	10.8
653.37134	14.4
835.46893	24.1
897.50537	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	932.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19475	100.0
69.19891	23.3
71.01395	61.6
78.95917	16.8
96.96019	55.0
163.87903	12.6
194.70998	11.0
197.11876	14.8
201.11153	12.4
309.20755	18.2
397.13425	17.2
580.72327	13.1
614.68402	12.2
915.47424	14.7
932.45654	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	930.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
67.93407	26.4
68.28295	24.1
71.01398	42.6
98.19830	42.8
125.02435	49.7
169.01430	55.4
209.11824	100.0
210.79752	25.9
235.23784	26.8
462.87796	33.0
646.19318	29.8
928.02972	28.1
963.66815	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	100.0
97.97085	15.1
98.19875	39.8
98.27695	13.9
101.02426	21.5
105.01940	19.3
125.02460	18.2
148.30959	16.8
157.28548	15.2
207.10223	42.0
209.11888	24.5
211.13338	25.6
225.11298	40.0
277.21359	15.4
303.37466	18.2
397.13574	35.8
398.13632	22.5
580.98792	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	73.4
71.49890	43.1
79.95744	28.0
80.96516	64.2
88.98824	44.3
89.02453	38.3
96.96008	49.9
101.02447	49.5
107.05112	26.2
125.02419	85.4
130.26221	26.0
167.70590	39.8
169.01384	62.0
171.10246	59.8
173.99026	30.0
179.10765	32.7
192.82178	27.7
197.11794	55.2
207.10332	28.3
209.11719	74.3
216.24878	30.7
249.37645	29.1
277.21783	50.2
291.19199	35.2
397.13248	31.3
404.29077	31.4
406.83524	31.9
408.01611	33.4
428.05075	37.5
448.48465	31.1
469.05060	48.8
469.55661	40.0
797.10016	39.2
862.96277	37.9
876.13074	36.6
877.01862	35.6
931.46497	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	930.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	96.1
72.08244	22.0
72.99308	33.6
77.62063	20.4
87.00886	33.9
88.98784	35.3
89.02421	43.0
91.16890	21.3
96.96015	29.8
98.19868	51.7
101.02482	28.4
104.08189	23.4
121.19065	22.4
125.02410	43.8
143.91400	23.7
146.98940	21.1
169.01407	56.7
169.12482	23.4
171.10182	32.4
197.11780	74.6
209.11795	54.5
229.21400	27.8
277.21649	100.0
278.55518	23.6
307.19235	25.2
309.20303	30.6
314.77841	24.5
397.13559	46.8
415.14282	28.8
788.94647	23.5
802.82410	24.1
899.46429	47.2
931.48193	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
65.96356	2.3
69.65872	10.0
71.01383	100.0
72.99281	2.1
73.02948	4.6
73.56219	2.1
73.95373	1.9
75.00878	2.6
81.03436	2.6
85.02950	2.7
87.00867	4.2
89.02428	5.6
97.02939	6.4
99.00858	3.1
101.02451	6.1
109.06583	18.3
111.08161	6.2
113.02454	3.5
125.02422	4.8
135.08122	3.0
139.21356	2.3
161.04520	3.5
163.11284	11.7
169.01424	3.0
169.12320	3.4
171.10284	13.6
179.10718	2.4
181.12363	4.1
197.11795	35.4
198.12096	3.1
199.13365	4.7
201.11327	5.3
207.10269	58.4
208.10597	5.3
209.11859	4.7
211.13330	7.9
225.11304	30.4
235.08267	5.6
239.12878	3.0
253.09297	14.7
262.16528	2.4
263.20361	3.9
272.04660	3.0
277.21619	3.9
291.19675	10.2
309.20676	44.7
370.26242	2.1
443.19043	2.4
461.20511	10.2
462.82370	2.3
595.21936	3.0
753.40833	22.1
754.41113	7.2
929.49579	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	929.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
67.74457	1.4
69.78396	8.6
71.01385	100.0
71.44886	1.4
72.99314	1.9
73.02935	5.3
73.63641	1.6
74.39355	1.5
78.95914	2.1
80.93120	1.7
81.03468	2.8
83.05032	3.8
85.02977	4.3
87.00876	1.6
88.98808	1.9
89.02441	5.7
93.08135	1.4
95.01361	1.9
95.05021	2.8
95.96437	1.6
96.96021	2.5
97.02938	7.0
99.00857	2.6
101.02449	9.4
105.93267	1.7
109.06589	22.6
111.08121	5.1
112.06247	1.6
112.56815	1.9
113.02474	4.9
115.00321	2.1
119.03474	1.6
121.06606	1.9
123.04475	2.3
124.70236	1.7
125.02446	3.7
125.09672	2.6
130.60837	1.6
136.05357	1.7
142.02687	1.9
152.74538	1.5
155.10809	1.9
158.04022	1.6
161.04527	1.9
163.11290	16.6
165.12822	2.2
169.01392	3.1
169.12265	3.3
171.10281	18.6
175.02441	2.1
178.52913	1.7
179.05457	2.6
181.12332	6.4
185.11739	1.9
197.11839	32.9
199.09781	3.2
199.13414	2.7
201.11287	5.6
206.22086	1.6
207.10249	60.7
208.10542	2.9
209.11771	6.1
211.13406	7.5
225.11313	34.0
226.11647	2.7
227.12950	2.6
235.08136	4.7
239.12762	1.8
253.09283	17.5
277.21725	5.2
291.19666	18.5
292.20032	1.8
293.21207	1.8
309.20715	50.0
310.21036	4.5
397.13272	4.2
441.37473	1.8
461.20148	10.6
527.51001	2.1
620.32629	1.8
623.09314	1.6
753.40564	21.9
754.40887	4.9
783.02765	1.8
791.66644	1.8
804.79980	2.3
848.58972	1.7
855.81152	2.0
915.76886	1.7
925.86761	1.8
929.47864	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	926.496
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20810	100.0
69.21235	67.5
75.88895	16.1
88.38615	15.9
88.98798	38.4
96.16289	18.9
98.19775	17.8
209.11847	33.9
301.03653	25.1
434.89319	20.7
544.60034	18.9
614.70203	20.3
863.48407	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	100.0
72.17195	6.0
78.95946	8.4
88.98818	9.6
98.19888	22.2
109.02806	7.9
109.06574	21.2
118.50748	6.7
123.31296	6.3
125.09669	9.2
130.39461	6.3
163.11255	13.6
171.10237	20.5
185.11807	8.2
201.11203	8.2
207.10266	51.8
209.11891	36.9
225.11359	33.9
229.55164	9.2
255.23241	9.0
286.27136	7.1
289.18094	34.0
307.18970	22.8
397.13461	8.9
461.20389	8.6
635.30859	9.4
751.38361	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	927.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03466	2.3
71.01382	7.5
71.50520	2.9
73.45930	1.7
75.00844	1.8
81.03430	2.4
83.05014	2.1
84.02171	2.1
85.02949	2.4
88.00370	2.5
88.98807	54.1
89.02436	7.1
95.01379	2.2
97.06602	8.3
101.02442	5.4
107.01364	2.1
109.06612	3.0
123.04526	3.1
125.02390	3.4
125.09695	4.8
135.08214	1.9
137.09703	3.0
163.11221	3.8
163.90204	1.9
169.01424	4.4
169.32141	2.0
171.10240	11.4
172.79634	2.1
185.11823	4.1
186.66365	1.8
191.14378	5.8
193.12303	7.7
197.11798	3.3
209.11757	12.0
211.13361	3.7
225.11148	1.8
225.14934	12.4
235.08119	5.7
237.11288	3.2
243.16026	5.5
245.19066	10.1
253.09258	22.7
263.20081	2.7
289.18082	49.5
290.18481	2.6
291.19543	3.1
307.19125	49.7
308.19321	4.5
309.20798	2.8
341.23294	100.0
342.23767	8.2
403.58578	2.1
502.33206	2.1
525.26813	2.4
577.32208	2.9
613.41199	2.1
631.41156	2.4
772.75531	2.3
867.51349	2.2
927.48932	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	929.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52777	2.0
83.44705	0.3
101.86665	0.3
110.00112	0.4
111.00877	1.9
124.01667	1.0
127.00373	0.7
136.98781	0.9
139.00372	1.3
140.01143	2.6
148.08536	0.3
168.00661	4.4
169.01401	0.3
183.02977	100.0
184.03331	3.8
276.91656	0.3
284.03424	0.3
285.04086	0.5
327.34424	0.3
335.04083	16.4
336.04688	1.5
416.34348	0.3
519.35614	0.3
593.15002	0.7
686.02216	0.4
832.21973	0.3
870.84894	0.3
891.76416	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69329	31.7
69.69740	22.3
71.01386	48.8
75.23292	9.8
89.02462	18.3
98.19919	21.6
99.92571	20.5
101.02433	12.8
111.28294	10.8
116.92855	100.0
125.02462	18.3
131.92316	10.4
152.73442	10.0
171.10226	19.8
207.10208	26.5
208.10651	17.1
209.11774	13.1
225.11346	14.3
255.23170	12.4
256.23578	15.9
281.24582	10.4
283.26468	31.6
397.13565	35.5
438.59915	11.0
636.45844	12.5
888.51373	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	924.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	28.6
71.14865	16.6
80.96500	21.1
89.02420	31.4
98.20689	37.9
101.02427	20.6
116.92825	65.8
117.92879	19.4
119.72394	18.6
125.02491	27.8
209.11871	100.0
210.12213	25.6
226.11827	23.0
227.12872	20.5
255.23277	65.6
256.23618	54.6
294.93973	19.5
349.24857	20.6
397.13416	43.6
404.17905	20.8
707.09802	26.8
784.13110	20.0
864.49457	39.9
887.83215	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	921.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
64.14286	1.4
69.03491	1.4
71.01382	26.8
72.99318	1.7
73.02945	3.2
77.02630	1.3
80.02663	1.5
81.03463	3.1
83.01393	3.0
83.05034	4.0
85.02962	5.4
87.00878	6.2
89.02433	19.5
89.87828	1.8
95.01439	1.5
97.02945	12.8
99.00881	3.2
101.00745	1.4
101.02447	19.9
106.87186	1.3
109.06591	31.0
110.03722	3.8
110.06965	1.9
111.04486	2.2
113.02432	8.4
116.92882	3.6
119.03531	4.7
125.02446	6.8
135.08142	3.0
142.02751	2.5
143.03462	4.2
161.04546	4.3
163.11299	15.2
179.05563	4.9
181.12331	3.3
207.10260	100.0
208.10605	3.2
209.11763	3.6
221.06650	2.1
225.11330	32.0
226.11618	3.2
235.08206	6.7
243.12167	2.3
255.23296	90.6
256.23630	4.8
269.24823	2.4
287.07761	2.0
299.15103	1.8
305.08658	2.6
379.12393	13.8
397.13492	62.7
398.13840	2.9
415.14682	15.0
533.37750	1.7
587.23315	3.3
605.24371	5.8
623.25439	5.3
633.87604	1.8
653.37170	6.8
861.48547	78.9
862.48846	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	922.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00347	5.8
69.13647	65.5
71.01379	6.2
74.02912	5.9
86.26323	6.5
99.92618	14.5
116.92863	100.0
149.78015	6.2
196.15891	7.5
209.11835	9.2
226.74060	6.3
235.08224	6.8
365.73706	6.1
367.76987	7.9
374.58142	6.9
694.89667	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	921.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	5.2
71.01377	38.4
73.02937	5.2
74.75544	3.9
78.95901	6.5
79.95740	3.7
86.96101	3.5
89.02432	11.2
97.02951	5.8
97.06570	4.6
99.92523	5.9
101.02448	15.9
109.06503	5.1
111.08215	4.2
113.02470	8.0
116.92863	36.2
118.69089	3.1
123.00904	5.6
125.02432	29.7
125.09723	7.9
126.02750	3.8
134.89474	34.0
161.04572	7.4
169.01422	26.7
171.10266	30.2
179.05658	3.9
183.02974	9.2
197.11841	35.0
199.09796	9.6
201.11378	6.7
207.10159	7.7
209.11850	29.9
211.13420	17.5
225.11317	8.4
225.14978	5.2
227.12798	9.4
235.08148	14.1
241.14450	61.5
243.15810	4.5
245.19067	4.6
253.09286	36.3
253.57133	4.8
263.20300	5.2
277.21664	12.3
278.22073	7.1
289.18033	24.4
291.19574	17.5
293.21112	12.5
300.99966	4.9
307.19144	39.8
308.20004	4.8
309.20703	60.2
321.20676	7.3
341.23303	100.0
342.23358	4.9
397.13440	12.3
398.13559	5.5
466.02606	4.8
469.05270	24.0
469.55432	6.7
498.63040	4.3
543.27863	4.2
885.49475	8.3
900.76416	4.3
921.49841	26.9
922.47900	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	921.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
67.32423	1.2
69.03476	1.8
70.72549	2.9
70.72907	2.2
71.01382	18.1
73.02964	1.5
77.10529	1.2
81.03489	2.1
83.01400	1.9
83.03863	1.3
83.05051	1.4
85.02937	4.4
87.00878	5.5
89.02442	10.5
95.01408	1.9
96.95999	1.5
97.02943	8.4
97.06570	2.1
99.00875	18.0
101.02448	11.6
109.06599	2.4
113.02434	7.5
119.03507	2.4
125.02419	6.4
125.09709	5.3
125.81648	1.3
142.02667	2.0
143.03523	1.6
161.04671	1.7
163.11269	9.1
181.12328	14.9
199.13397	2.3
200.98724	1.1
207.10260	50.0
208.10582	2.3
209.11813	16.4
225.11305	68.8
226.11658	4.0
227.13000	1.7
235.08176	3.6
243.12350	23.3
244.12628	1.6
248.38309	1.2
255.23273	59.1
256.23654	4.2
259.15619	1.3
263.07675	2.4
281.24710	9.8
305.09100	1.6
379.12326	3.5
391.26941	1.6
397.13522	17.0
415.14490	3.1
457.29510	2.0
487.09360	1.5
605.24481	18.4
623.25940	7.3
624.25800	2.5
653.38037	1.8
654.37793	1.6
856.09204	1.6
861.48511	100.0
862.48669	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33247	4.1
71.01376	13.2
78.95895	4.6
83.19725	4.9
88.98829	4.8
89.02464	6.6
96.95995	5.6
97.06573	6.2
107.01419	5.3
113.02455	5.6
116.92838	36.0
125.02404	19.0
125.09725	6.8
134.89474	8.3
137.09709	5.0
144.84822	4.1
161.04559	6.1
169.01427	27.4
171.10242	15.7
185.11685	9.0
193.12315	7.5
197.11826	24.8
207.10223	4.0
209.11856	22.0
211.13348	18.9
223.13379	5.6
225.14969	10.3
235.08171	7.2
235.22813	4.5
241.14401	51.8
242.14722	6.2
245.19078	6.6
253.09262	38.0
267.09586	4.2
289.18094	34.2
291.19568	17.2
293.21170	22.7
307.19168	32.3
309.20694	43.2
341.23343	100.0
342.23743	8.4
370.29123	4.2
397.13464	7.7
469.04895	14.5
469.54968	6.2
516.71698	4.7
580.70844	4.5
625.74609	4.5
788.06317	4.9
904.07117	5.5
921.48438	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	921.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03473	1.9
71.01380	49.4
71.52018	1.9
73.02947	18.7
83.01398	7.9
85.02946	20.7
87.00871	4.2
89.02461	14.5
93.44759	1.8
95.01397	5.1
96.95994	1.7
97.02943	2.0
99.00889	7.2
101.02446	42.2
102.21780	1.9
108.35069	1.8
113.02448	26.2
119.03499	4.6
123.00862	2.4
125.02418	3.8
131.03488	6.4
137.06070	8.8
149.04549	6.2
151.00368	3.5
159.03062	4.0
161.04576	17.0
163.04037	2.2
169.01425	3.2
181.05074	8.1
183.02963	4.2
191.05553	3.3
209.15471	8.1
221.06628	4.0
243.99689	1.8
255.02739	2.1
271.02502	4.7
300.02695	7.8
301.03534	8.1
301.20367	2.4
331.17599	23.7
332.17712	2.3
353.19675	34.6
354.19971	3.2
371.20749	44.5
372.21185	2.6
413.21786	100.0
414.22134	11.5
463.08801	9.0
463.13388	2.7
463.21619	9.3
464.21878	2.0
484.20709	2.3
796.47278	2.3
847.02679	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	919.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
65.73602	0.9
69.03461	2.1
70.97148	2.3
71.01384	100.0
72.01727	1.5
72.99339	1.9
73.02929	4.9
78.95937	1.1
79.95737	1.7
80.91664	1.1
80.96502	1.3
81.03471	1.0
83.01398	2.4
83.05047	1.3
85.02953	7.3
87.00880	8.0
89.02446	18.5
95.01402	1.9
95.04986	1.0
96.96019	2.4
97.02937	5.0
99.00887	3.3
101.02438	17.5
106.16913	0.8
109.06586	6.4
113.02453	9.1
116.92897	1.2
119.03511	5.4
119.04208	0.9
123.00865	0.8
123.04482	0.9
125.02458	10.2
125.09721	2.9
127.11279	3.2
131.03552	1.7
141.01918	1.4
142.02747	1.1
143.03490	3.8
153.09120	1.3
155.10738	1.8
161.04556	3.1
163.11282	4.5
165.09184	0.9
169.01369	2.3
171.10278	51.6
172.10614	2.3
179.05618	5.6
181.12318	2.3
185.11690	1.4
199.09769	14.2
199.13457	2.0
201.11308	14.7
207.10246	18.8
208.10536	1.0
215.12732	1.8
217.07036	1.3
221.06635	2.6
225.11314	16.0
235.08157	5.6
243.12314	3.1
253.09212	2.1
263.07660	0.9
277.21732	66.1
278.22153	7.3
305.08838	1.8
323.09662	1.0
379.12476	4.5
397.13480	39.3
398.13705	2.9
415.14700	9.5
597.23749	1.4
605.24890	1.7
623.25580	2.1
763.18066	0.9
845.54010	2.1
856.04535	0.9
857.45386	1.9
883.47052	10.3
884.47192	3.7
901.47778	2.5
919.48706	17.2
920.49591	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	919.489
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	1.5
69.71019	0.9
71.01382	48.5
73.02937	2.4
78.95915	3.9
79.95756	2.6
80.91703	1.4
80.96540	1.1
82.96117	0.9
83.01396	1.3
85.02955	2.2
87.00868	3.1
89.02441	10.3
95.95232	1.1
96.96011	67.7
97.02943	2.6
97.06591	1.6
98.19885	3.2
99.00897	2.1
101.02440	9.1
109.06599	3.7
113.02441	5.4
119.03482	2.9
125.02428	5.2
125.09712	3.2
127.11279	2.6
130.57271	0.9
143.03503	1.7
155.10774	1.2
161.04568	1.7
163.11272	2.9
169.01457	2.1
171.10286	27.0
179.05646	1.9
181.12329	1.9
185.11835	1.0
199.09755	8.2
201.11325	13.9
207.10252	14.4
208.10530	1.5
209.11758	2.3
221.06656	2.1
225.11266	11.4
235.08243	2.8
241.14438	4.2
243.12312	1.8
253.09311	1.1
265.14774	100.0
266.14993	4.9
277.21735	27.8
277.24756	1.3
278.22116	2.5
289.17929	1.4
307.19305	2.5
311.95923	1.0
359.80078	1.0
379.12485	3.6
397.13501	20.4
398.13663	1.6
415.14520	5.6
597.23431	2.0
623.25549	3.8
857.45355	1.3
883.46844	5.8
884.47601	2.0
919.48798	12.4
920.49207	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	919.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01369	34.2
78.95911	8.1
80.91696	9.2
80.96541	8.4
82.95421	34.1
85.02993	6.9
87.00867	11.2
88.23743	4.8
88.98809	81.8
89.02448	33.6
96.95999	37.7
97.02962	11.3
101.02458	21.3
109.06595	27.6
113.02443	14.7
119.03525	9.9
125.02422	10.3
161.04546	16.3
163.11267	14.9
179.05626	12.6
181.12352	6.5
194.71014	5.4
197.11696	5.3
200.36168	5.1
201.11349	33.8
207.10280	92.7
209.11835	33.4
211.13437	6.3
223.09497	6.4
225.11305	47.5
227.12842	7.8
229.27808	5.7
235.08351	6.8
255.23329	22.0
277.21719	78.8
278.22012	5.5
379.12552	18.8
383.72736	5.3
389.71329	5.1
391.77100	5.2
397.13492	91.5
398.14099	14.8
401.90259	6.3
415.14667	26.8
416.15112	7.1
605.24554	16.2
623.25903	13.2
635.36871	6.7
653.37482	6.0
675.35797	6.0
677.37775	5.8
883.46881	100.0
884.46918	27.9
919.46143	45.3
920.45135	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	919.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	36.3
71.50232	4.7
71.50689	7.3
73.02966	4.0
73.69738	4.6
78.95904	14.7
82.95380	4.5
85.02940	5.3
87.00877	9.9
88.98802	100.0
89.02438	30.9
96.96006	13.3
98.67625	4.8
99.00877	5.2
101.02451	19.3
109.06587	19.0
113.02419	11.1
119.03478	7.4
120.79698	4.4
125.02457	10.1
144.72919	4.7
163.11298	13.3
179.05591	7.7
201.11304	16.7
207.10265	74.0
208.10593	6.1
209.11819	19.5
220.04410	4.6
221.58530	4.9
225.11288	29.6
227.12836	5.6
235.08189	5.8
255.23349	12.4
256.23636	6.5
277.21719	61.7
282.57971	4.9
318.05057	4.9
379.12335	17.2
397.13458	95.7
398.13934	6.0
415.14468	18.2
605.24377	9.4
618.73059	5.8
619.87048	6.0
623.26306	7.0
675.35870	7.4
883.46948	84.6
884.47546	23.7
919.46124	29.8
920.45599	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	919.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03474	2.3
69.19809	10.2
71.01382	100.0
72.01726	1.2
72.99310	1.7
73.02955	3.2
75.00908	1.0
78.95882	1.1
79.95747	1.3
80.44765	1.1
80.96521	1.9
81.03448	1.3
82.95396	1.2
83.01386	1.4
83.05026	1.9
85.02953	5.0
87.00871	6.6
89.02447	16.6
95.01392	1.8
96.96004	5.3
97.02954	4.8
98.40619	1.1
99.00885	3.1
101.02448	14.2
109.02962	1.1
109.06579	5.0
113.02453	8.4
116.92852	1.9
117.02017	1.1
119.03516	3.7
125.02447	7.1
125.09732	3.2
127.11321	2.0
135.08162	1.4
141.01942	1.7
143.03514	4.7
161.04535	4.4
163.11278	2.9
169.01448	1.7
169.04955	1.2
171.10269	65.3
172.10606	3.7
179.05635	4.9
181.12314	3.0
185.11838	1.6
199.09727	12.0
199.13440	1.3
201.11330	17.3
207.10269	18.0
209.11838	3.4
215.12775	1.9
221.06682	2.9
225.11342	15.0
227.12689	1.3
231.99335	1.1
235.08293	5.2
243.12355	1.6
253.09206	1.3
277.21722	48.9
278.22055	4.2
286.56775	1.2
287.07629	2.1
305.08630	1.4
305.17538	1.5
305.79056	1.0
323.09567	1.1
379.12357	6.1
397.13492	27.1
398.13855	2.9
415.14667	9.2
461.20364	1.3
493.24768	1.2
597.24268	1.9
623.25452	4.0
801.45123	1.2
857.45990	1.6
883.47095	8.7
901.48285	1.5
919.49066	14.6
920.48712	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	918.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
66.75946	5.7
68.99571	72.4
70.92434	6.0
70.92790	13.3
71.01383	99.6
71.72585	5.1
72.01737	8.0
72.99285	6.4
73.02943	10.3
79.16731	5.2
80.96522	6.9
83.05030	10.5
83.68876	4.7
85.02954	20.1
87.00897	7.9
89.02445	30.5
96.96008	35.7
97.02997	5.8
99.00906	6.7
101.01832	7.4
101.02432	42.3
109.06564	7.5
112.98567	65.8
113.02425	22.6
114.93398	10.5
116.92837	17.5
118.05243	5.1
125.02446	20.0
125.09765	8.6
143.03528	9.4
144.01003	5.4
161.04546	9.3
163.11221	13.0
169.01410	17.1
169.12195	5.7
171.10268	47.5
172.10602	13.9
179.05565	8.9
181.06602	5.8
181.12431	6.7
195.13866	8.5
197.11879	14.5
199.13425	8.4
201.11348	38.7
202.11650	11.4
207.10216	24.0
208.10634	7.0
209.11850	62.3
210.12152	18.7
211.13423	11.3
221.06538	9.0
225.11382	45.9
226.11603	18.0
227.12827	15.8
228.13177	8.0
235.08292	6.5
275.20145	7.2
276.20407	8.0
289.17984	11.3
291.19656	23.8
292.19989	17.3
293.21210	100.0
294.21555	69.2
309.20618	20.6
310.21021	12.3
341.23355	6.2
342.23779	6.8
348.94797	6.0
386.73132	5.6
397.13461	55.0
398.08777	5.9
398.13657	30.7
415.14474	22.0
500.33301	5.9
840.44293	6.4
900.46552	14.3
918.47009	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	918.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99566	18.1
71.01381	78.2
72.01704	9.2
72.95422	9.2
73.02947	13.0
78.06812	7.7
80.96516	10.1
83.98141	7.7
89.02444	40.9
94.94411	7.7
95.01438	12.0
96.96020	48.4
96.96964	11.9
97.02968	17.7
97.06586	7.4
101.02466	30.3
109.06624	8.0
112.98566	16.5
113.02464	25.5
116.92858	17.8
119.03506	13.0
123.00909	8.4
125.02463	23.3
161.04616	9.5
169.01434	24.6
171.10310	54.6
172.10576	13.2
195.13919	12.9
197.11815	17.2
199.13518	9.5
201.11316	37.2
207.10179	19.2
209.11812	51.3
210.12218	21.9
211.13316	11.7
212.13818	8.6
222.91788	8.5
225.11356	61.7
226.11658	15.7
227.12868	29.5
235.08090	11.4
253.09250	9.5
291.19696	36.7
292.19968	20.5
293.21210	100.0
294.21603	67.4
300.99551	9.9
309.20682	28.6
310.21039	19.9
354.22382	9.6
397.13531	61.8
398.13760	19.6
415.14435	15.2
416.15063	12.2
522.06104	8.2
900.48120	11.1
918.47424	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	1.8
71.01382	17.4
71.01778	0.9
71.05019	0.4
72.99300	1.2
73.02937	3.1
78.95895	0.5
80.02678	1.1
81.03432	2.0
82.96740	0.4
83.01390	2.0
83.05034	5.6
84.02168	1.3
85.02943	4.1
87.00881	3.4
89.02446	13.1
92.93925	0.4
95.01384	2.0
95.05026	1.6
96.96014	7.3
97.02931	2.9
99.00898	0.9
99.04543	0.4
101.02448	11.0
106.50672	0.4
109.02940	0.7
109.06573	0.9
110.03702	0.5
111.04462	0.5
111.08160	8.2
113.02444	7.2
114.85025	0.4
119.03506	3.1
123.00914	0.6
125.02440	5.0
125.06094	1.0
127.07616	0.5
131.03545	0.8
132.83232	0.4
135.08159	0.9
137.09677	0.5
139.04022	0.8
141.01917	0.5
141.09122	0.4
141.85539	0.4
143.03523	1.9
151.11319	0.7
153.12775	0.8
161.04552	3.1
163.11290	5.7
164.79774	0.5
165.12840	3.2
169.01443	0.4
169.12312	3.8
171.10301	1.5
179.05629	3.9
181.12326	1.7
183.13782	0.7
191.10793	1.2
195.22343	0.4
197.11827	41.7
198.12140	2.1
199.06108	0.4
199.13385	3.0
201.11328	0.7
207.10265	0.4
209.11821	100.0
210.12155	5.0
211.13394	6.3
212.13696	0.4
217.07137	0.6
221.06706	1.9
225.11319	1.3
227.12849	15.1
228.13181	0.8
235.08215	5.0
236.08551	0.4
247.20396	0.5
253.09244	0.9
257.23099	0.5
263.20163	2.1
265.18063	1.2
271.67773	0.5
273.18549	0.5
287.07690	1.5
291.19641	15.8
292.20032	1.4
293.21152	1.8
302.72873	0.5
305.08789	1.9
309.20706	68.4
310.21054	5.6
323.09775	1.0
379.12469	2.8
397.13498	35.7
398.13779	2.4
415.14566	15.1
415.18842	0.4
416.14978	1.4
440.23523	0.4
589.25861	0.5
607.26300	1.3
689.33783	0.9
707.35181	1.3
766.54156	0.5
917.48560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5138
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99255	1.2
66.52780	1.2
68.99559	1.3
71.01385	21.0
72.99329	1.5
73.02937	2.1
75.00879	3.6
75.28722	1.2
78.95901	2.7
79.95815	1.1
80.02654	1.5
80.96513	3.0
81.03460	2.9
83.01403	3.7
83.05024	5.2
84.02162	1.5
85.02953	4.7
87.00880	4.7
89.02443	13.0
96.96013	2.4
97.02962	4.4
99.00849	1.4
101.02445	9.5
112.98567	1.4
113.02448	7.9
115.00385	1.3
119.03483	3.8
125.02483	6.2
125.09715	1.8
129.01938	7.5
135.03001	3.5
143.03485	2.0
159.19720	1.2
161.04584	3.4
163.11311	4.1
165.12860	2.9
168.00429	1.0
171.10225	2.2
179.05621	2.9
185.04652	1.1
191.10793	1.4
197.11882	1.5
201.11249	3.8
207.10172	1.5
209.11819	100.0
210.12166	6.2
211.13353	1.7
225.11314	2.5
227.12892	13.7
235.08205	4.9
245.06445	1.4
255.23317	2.8
259.15500	4.8
259.20734	1.2
277.21704	52.4
278.22018	6.2
287.07736	1.4
293.21170	3.1
305.08762	2.8
309.20715	1.5
379.12405	9.8
397.13486	44.2
398.13885	3.6
411.81860	1.3
415.14624	9.0
483.81750	1.3
589.25128	1.6
607.26575	1.5
854.62390	1.5
917.47260	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	917.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
67.43063	0.4
69.03456	1.9
71.01382	15.9
72.99318	1.2
73.02948	3.1
75.00901	0.6
80.02673	0.9
80.76229	0.4
81.03458	2.6
83.01379	2.1
83.05020	7.0
84.02180	0.8
84.14591	0.4
85.02957	3.7
87.00876	4.9
89.02449	14.3
93.03493	0.5
95.01398	1.4
95.05049	0.7
96.96021	1.6
97.02941	3.2
97.06625	0.5
98.19863	1.1
99.00890	0.9
99.04475	0.6
101.02441	11.4
109.06615	0.7
111.04462	0.5
111.08154	7.5
113.02454	6.6
119.03531	3.3
125.02440	5.6
125.06114	0.6
127.07637	0.7
131.03484	0.8
132.97054	0.5
135.08167	1.0
139.67772	0.4
143.03496	2.5
151.11270	0.7
153.12828	1.0
161.04535	2.9
163.11301	5.8
164.11650	0.4
165.12807	3.0
167.03508	0.4
169.01590	0.4
169.12360	4.4
171.10243	1.2
179.05627	4.6
181.12405	2.1
183.13902	0.7
191.10751	1.7
193.12285	0.5
197.11829	41.9
198.12144	2.2
199.13371	2.6
201.11469	0.6
207.10242	0.7
209.11823	100.0
210.12155	5.5
211.13425	6.7
221.06618	2.3
225.11349	0.5
227.12874	13.2
228.13159	0.8
229.19890	0.8
235.08237	4.7
247.20607	0.6
253.09193	1.4
263.20181	3.0
265.18069	1.1
273.18561	1.0
287.07657	1.4
291.19641	16.6
292.19983	1.7
293.21289	0.9
305.08725	1.7
309.20706	83.7
310.21036	6.9
323.09827	1.0
367.02255	0.5
379.12543	2.6
397.13486	38.0
398.13983	2.6
399.98013	0.4
415.14548	15.8
416.14911	1.1
477.18616	0.5
478.32391	0.5
589.25177	0.5
607.26111	2.2
689.33875	1.0
707.34918	1.8
917.46893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99540	1.4
69.03449	3.3
71.01382	81.5
72.01733	1.7
72.55493	1.4
72.99312	2.8
73.02936	8.9
73.79591	1.3
80.02656	2.1
80.96535	2.3
81.03453	4.3
83.01376	3.5
83.05035	5.7
85.02943	10.3
87.00878	9.5
89.02443	26.6
90.94068	1.6
95.01379	3.3
95.05014	3.9
96.96012	7.5
96.96970	1.4
97.02967	7.5
97.06583	1.8
99.00868	4.2
101.02439	25.7
109.02909	1.7
109.06584	9.2
111.00877	1.5
111.04547	2.0
111.08143	4.6
113.02449	17.6
116.92845	2.8
119.03519	5.8
125.02424	11.3
125.09712	3.3
127.11285	2.9
128.03514	1.6
131.03531	2.4
137.09741	2.1
139.04074	1.4
139.07698	1.7
141.01920	2.4
143.03490	4.6
151.11292	2.3
152.99516	1.5
153.09108	1.4
155.10811	2.5
161.04538	6.3
161.95743	1.4
162.52492	1.3
163.11255	9.2
165.12860	3.3
167.10866	1.4
169.01451	2.5
169.12369	2.2
171.10280	41.0
172.10544	2.7
179.05594	9.1
181.12344	6.0
183.10306	1.8
183.13890	2.9
185.11803	5.7
195.13956	7.0
197.11852	7.6
199.13406	3.2
201.11330	38.1
202.11578	1.4
207.10237	24.7
209.11823	55.2
209.13811	3.0
210.12122	9.5
211.13574	6.8
215.12900	3.4
221.06580	3.2
223.13338	4.0
225.11316	50.8
226.11650	1.6
227.12898	13.5
228.13220	2.9
235.08253	7.9
243.12263	5.0
253.09219	4.4
257.08029	1.3
275.20175	8.1
287.07626	2.0
289.17978	1.7
291.19666	18.8
292.19879	2.2
293.21225	100.0
294.21698	7.1
305.08829	2.1
307.19135	6.0
308.19366	4.2
309.20657	17.2
310.20810	1.5
311.22208	2.3
379.12421	4.4
397.13458	50.6
398.13712	6.2
415.14542	20.9
439.14417	2.4
605.24298	4.0
623.25116	10.4
641.25598	1.7
899.46637	10.4
900.46710	2.2
917.46680	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	917.475
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99569	4.1
69.03449	2.7
71.01382	72.4
72.01722	1.4
72.99297	1.7
73.02948	8.3
79.95756	1.4
81.03460	1.5
83.01401	3.0
83.05013	3.8
85.02943	7.6
87.00877	5.5
89.02444	18.4
95.01367	1.7
95.05013	2.4
96.96027	3.5
97.02972	4.7
97.06615	1.7
98.19761	1.5
99.00877	2.5
101.02446	18.9
105.25662	0.9
109.06573	6.1
111.04507	2.2
111.08147	2.1
112.98588	5.3
113.02440	10.0
119.03489	4.0
125.02426	8.9
125.09739	2.5
127.04024	1.4
127.11308	1.4
131.03491	1.1
135.08229	1.0
139.07666	1.4
139.11160	1.0
141.01971	1.2
143.03520	3.2
149.09738	1.4
150.30055	1.0
151.62694	1.0
155.10788	2.2
161.04559	4.5
163.11284	7.1
165.12857	1.3
167.03461	1.2
167.10789	2.4
169.01350	2.2
171.10274	29.9
179.05637	5.0
179.10808	1.5
179.14394	1.1
181.12344	3.5
183.10255	1.6
185.11801	3.1
189.09222	2.1
190.02318	1.1
195.13882	7.8
197.11794	4.7
199.13394	3.5
201.11301	25.9
205.12270	1.0
207.10243	17.9
208.10628	1.6
209.11838	26.2
210.12132	3.0
210.58815	0.9
211.13400	3.1
213.30762	0.9
215.12933	2.0
221.06654	3.3
223.13419	5.8
225.11316	35.5
226.11760	2.4
227.12814	5.5
228.13484	1.4
231.21155	1.4
235.08211	5.8
243.12340	3.3
253.09218	2.1
256.13077	1.3
263.07632	1.3
275.20200	5.9
287.07785	1.4
291.19681	13.6
293.21213	100.0
294.21588	7.5
305.08734	1.8
307.19073	1.0
309.20621	6.2
310.20886	1.2
317.21133	1.0
341.23328	1.3
379.12524	2.6
397.13486	37.9
398.13840	2.7
415.14584	17.5
416.14655	1.6
439.14557	2.4
519.33154	1.2
590.06989	1.0
605.24829	3.7
623.25513	4.8
624.25159	1.3
691.34595	1.0
698.39612	1.0
718.16034	1.2
899.46277	7.9
900.47583	1.8
917.47131	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	916.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78461	4.8
68.99563	18.3
70.38750	5.1
71.01380	43.9
71.50266	6.8
73.02937	7.3
78.95940	12.7
79.95728	12.6
80.96503	6.9
84.82496	4.9
85.02961	7.9
87.00899	8.2
89.02454	17.5
96.96017	100.0
96.96973	11.1
97.02984	9.4
99.00893	5.6
101.02448	20.6
107.01465	5.8
109.06564	6.9
112.98579	17.9
113.02406	8.9
116.92869	15.4
125.02464	27.2
139.00362	6.0
163.11189	5.6
169.01392	24.5
169.12328	6.0
171.10301	12.4
186.92326	4.9
197.11830	28.7
199.13515	12.2
207.10208	17.3
209.11826	30.4
211.13422	33.1
225.11319	15.9
227.12920	33.0
235.08134	7.1
291.19705	9.6
293.21402	7.3
307.19031	12.4
309.20721	50.3
310.21185	11.6
397.13577	30.9
398.14029	7.1
415.14713	20.9
469.05292	8.3
620.92181	6.6
916.46033	22.0
917.46942	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	916.494
Annotation	Unknow
Peak:m/z	Relative Intensity
66.67089	1.7
71.01373	9.1
72.99293	4.6
75.00864	17.2
80.96492	4.1
85.02946	6.0
87.00881	3.8
89.02430	4.7
97.02917	3.2
101.02480	2.1
102.40977	2.2
119.60120	2.0
123.28568	2.3
129.01944	100.0
130.02283	10.1
134.55524	2.0
135.02998	29.0
136.03328	3.1
175.02405	2.8
184.26414	1.8
209.11823	13.8
229.23651	2.7
277.21661	11.0
278.21906	2.2
379.12366	2.6
397.13504	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	917.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25622	5.9
71.01391	1.1
80.44988	0.8
98.19928	1.5
107.01382	2.1
125.02431	7.3
151.00372	7.2
163.00375	1.7
163.03973	1.1
169.01399	9.2
178.99840	3.5
188.04477	0.8
227.03459	1.7
243.02992	3.0
254.02063	1.1
255.02972	10.1
256.03415	1.1
270.99698	1.5
271.02448	20.3
272.02859	2.0
283.02365	0.9
300.02728	48.5
300.99878	13.1
301.03473	28.3
302.00308	1.1
302.03693	1.9
313.05603	1.6
463.08829	14.8
464.09149	1.5
593.08685	0.8
602.70374	0.8
615.09869	100.0
616.10150	12.9
639.95978	0.9
790.20764	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01368	96.0
71.49901	26.6
78.95935	20.7
80.96519	63.6
89.02424	43.8
96.95982	40.3
97.02995	22.9
101.02428	28.5
102.11279	19.0
103.15118	20.5
109.06589	34.9
125.02451	24.1
143.03439	23.7
151.08640	20.8
171.10239	22.6
205.89270	19.5
207.10257	77.3
223.13159	21.5
225.11278	66.1
244.92232	19.2
253.13017	23.7
255.23357	84.1
256.23605	43.2
277.21664	29.2
397.13422	100.0
398.13696	30.4
415.14670	25.7
632.35425	23.5
771.68878	23.2
861.49518	24.1
862.49158	47.5
917.46844	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.493
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87088	5.4
71.01390	10.7
72.99310	7.1
75.00876	18.9
80.96536	7.0
85.02940	12.6
89.02436	10.3
96.96036	6.7
101.02457	10.9
113.02486	6.9
129.01947	100.0
130.02240	10.7
135.02980	35.3
148.14673	5.8
169.01436	8.3
175.02477	6.6
195.88979	5.2
197.11885	8.0
207.10341	6.1
208.10573	7.1
209.11806	56.0
277.21667	24.4
358.02835	5.9
397.13599	17.4
415.14240	7.0
471.81171	5.8
531.24139	6.1
710.16766	5.5
916.47034	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	916.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92855	18.3
71.01395	18.9
72.99325	10.3
73.02978	5.5
75.00862	21.5
77.94682	4.1
79.95758	7.0
80.96523	12.3
83.05005	5.5
85.02424	4.2
85.02960	14.3
87.00883	12.2
88.50934	4.6
89.02458	11.3
96.96017	8.6
101.02460	8.0
113.02458	6.9
118.13465	4.5
119.03502	5.7
119.96319	4.4
125.02483	7.7
129.01959	100.0
130.02312	12.0
135.03033	36.5
148.37979	4.2
164.91055	4.0
169.01480	4.4
181.43228	4.2
197.11932	6.5
207.10324	6.9
209.11830	78.9
225.11453	6.3
227.12894	11.1
235.08243	6.9
277.21756	36.5
309.20926	6.6
321.55811	4.4
397.13492	29.6
415.14548	12.2
916.46674	15.3
917.46075	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	915.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
63.95849	2.9
70.74870	3.3
71.01382	58.7
71.49928	4.6
72.99303	10.9
73.02939	4.9
78.95940	3.1
80.96516	4.9
81.03429	4.9
83.01398	2.8
83.05005	5.6
85.02937	10.5
87.00869	8.0
88.98789	6.9
89.02445	31.6
97.02942	12.8
99.00871	5.6
101.02442	27.1
109.06596	35.7
113.02459	15.7
113.87157	3.2
119.03477	10.5
125.02425	12.9
135.08145	3.7
137.46124	2.9
142.02747	3.5
142.96490	3.4
143.03502	5.7
161.04588	7.2
163.11284	22.8
171.10251	10.4
179.05579	15.3
181.12325	9.9
189.09151	6.0
197.11778	3.1
201.11258	5.8
207.10252	91.8
208.10498	3.4
209.11902	14.4
221.06630	5.6
225.11311	100.0
226.11604	6.4
235.08174	11.8
243.12430	4.7
253.09235	4.8
255.23291	87.2
256.23605	6.5
287.07648	3.4
379.12396	13.1
397.13516	76.2
398.13943	8.9
415.14542	19.2
539.84583	3.4
583.37170	3.2
605.24725	14.1
606.24512	3.8
623.25616	19.5
624.27179	3.5
653.36731	4.7
861.48309	69.2
862.48633	22.9
915.46661	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	915.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
67.28307	0.8
68.01683	0.6
69.03465	2.0
70.10896	0.6
71.01382	25.2
71.05019	0.7
72.99300	3.1
73.02950	3.9
75.00880	0.8
80.02679	2.8
81.03443	3.4
83.01388	3.8
83.05024	7.7
84.02161	1.5
85.02951	6.0
87.00879	5.8
87.46079	0.7
89.02448	19.3
93.03465	1.6
95.01399	2.6
95.05013	2.4
96.96032	1.2
97.02959	9.2
97.06615	2.5
99.00877	2.8
101.02442	17.2
107.05059	1.7
109.02910	1.3
109.06595	15.3
109.96940	0.7
110.03786	1.0
111.04494	1.5
111.08158	4.3
113.02461	10.6
115.00335	1.1
119.03516	5.5
121.03017	0.7
121.06587	1.9
122.32740	0.7
123.00902	0.7
123.04515	2.5
123.08156	1.1
125.02446	8.4
125.09773	3.3
127.07685	1.1
135.08150	4.0
136.05301	1.0
137.09708	2.1
141.01924	1.1
142.02773	1.3
143.03542	3.7
145.10277	0.9
151.11322	1.2
161.00885	0.7
161.04561	4.2
161.09705	1.5
163.11284	15.1
164.11552	1.0
165.12886	3.5
169.12314	2.2
171.10258	3.3
175.02458	2.2
179.05608	5.2
179.10738	1.5
181.12325	5.1
183.13861	1.3
185.11786	3.6
191.10765	2.9
191.14400	3.7
193.12241	1.2
195.13983	0.8
197.11818	17.7
198.12097	1.2
199.13419	2.0
203.10652	0.8
207.10263	37.4
208.10567	1.6
209.11823	100.0
210.12114	6.1
211.13403	5.3
221.06664	3.1
225.11313	22.0
226.11694	1.6
227.12878	14.5
235.08180	5.4
237.11371	1.1
245.19064	7.1
251.12975	0.7
253.09230	2.1
263.07596	1.2
263.20020	4.8
271.16974	1.1
281.21115	0.9
287.07611	1.0
289.18076	27.8
290.18442	2.3
291.19611	7.1
293.21140	0.7
305.08817	1.6
307.19141	34.1
308.19553	2.9
309.20700	36.0
310.21005	3.1
323.09909	1.2
379.12415	2.3
397.13498	38.1
398.13867	3.2
415.14575	16.8
416.15002	1.1
477.46179	0.8
531.63525	0.7
589.24835	0.9
605.24609	3.2
607.26001	2.6
623.25348	4.3
705.33582	1.7
707.35071	0.9
799.37646	2.5
817.37830	1.4
879.43573	0.9
894.38788	0.8
897.44397	3.2
898.45062	0.9
915.46045	24.0
916.46741	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	915.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	2.6
70.98265	1.4
71.01381	27.7
72.99295	2.6
73.02953	4.8
75.00887	1.1
80.02680	1.6
81.03461	3.7
83.01393	3.5
83.05029	6.9
84.02143	1.1
85.02948	7.6
86.17027	0.8
87.00882	6.0
88.98807	2.3
89.02448	22.2
93.03458	1.2
95.01411	2.4
95.05022	3.0
96.96003	1.3
97.02947	10.5
97.06592	3.4
99.00879	2.7
101.02450	16.4
107.11647	0.7
109.06595	17.3
110.03721	1.1
111.00854	1.0
111.04539	1.5
111.08167	5.7
113.02459	11.8
119.03505	5.4
121.06602	1.7
121.25392	0.7
123.04535	2.3
123.08167	0.8
125.02458	8.0
125.06055	1.0
125.09709	4.0
131.03458	1.4
135.08153	4.2
136.05278	0.9
137.09735	1.3
139.04048	1.0
141.01950	1.5
142.02756	2.0
143.03508	2.8
149.09647	1.0
151.11240	1.7
156.88200	0.7
161.04544	3.2
161.09702	1.9
163.11285	16.7
164.11673	0.8
165.12866	4.3
169.12338	1.9
171.10309	2.7
175.02486	1.5
179.05617	6.4
179.10796	1.6
181.12318	5.8
185.11836	2.4
189.09232	1.0
191.10767	1.3
191.14473	3.4
193.12357	1.1
197.09998	1.4
197.11818	21.6
198.12100	1.1
199.06131	0.7
199.13484	0.9
204.68950	0.8
207.10263	46.3
208.10593	3.1
209.11821	100.0
210.12154	4.9
211.13370	6.3
217.07259	0.8
221.06627	3.1
223.13507	0.6
225.11320	25.5
226.11702	1.8
227.12929	13.0
228.13144	1.3
235.08220	6.3
237.11266	1.2
243.12341	1.0
245.19119	6.3
253.09373	1.9
263.20197	3.8
271.17218	1.4
285.11359	0.7
287.07755	1.2
289.18106	27.1
290.18436	2.2
291.19666	11.1
292.20135	0.7
293.21176	0.9
305.08875	2.2
305.17401	0.8
307.19156	28.2
308.19394	2.4
309.20709	36.0
310.21039	2.8
323.09778	1.9
379.12595	2.6
397.13510	42.2
398.13818	3.2
398.41599	0.8
415.14584	16.5
416.14914	1.0
576.57727	0.7
605.24615	3.3
607.26239	1.3
623.25726	4.1
705.33978	1.9
799.38251	2.1
817.38275	1.5
897.44928	4.0
915.45941	27.7
916.46417	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	914.4761
Annotation	Unknow
Peak:m/z	Relative Intensity
66.97606	12.7
71.01388	72.0
71.49997	19.0
72.93212	13.5
75.00868	31.7
78.91880	14.8
79.95737	16.2
80.96536	15.4
85.02943	20.7
87.00883	13.8
89.02434	25.3
99.00882	14.2
101.02466	21.9
102.02187	12.3
109.06638	14.0
111.04590	12.5
125.02428	33.9
129.01949	27.4
163.11331	16.3
171.10257	33.0
175.02533	15.9
207.10378	34.5
209.11832	100.0
210.12143	31.9
223.09680	25.6
225.11349	24.0
253.09308	20.3
255.23395	32.1
277.21667	79.4
278.21967	33.8
293.21210	39.5
309.20795	15.0
327.47568	17.3
397.13528	50.6
772.98938	14.5
915.45868	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99274	2.5
71.01383	68.6
71.51829	2.3
72.99337	2.5
73.02945	4.6
75.00872	2.3
78.95913	4.0
81.03447	3.7
83.01402	2.7
83.05042	6.1
85.02970	5.7
87.00892	7.1
89.02424	11.1
93.97188	2.5
95.01414	3.4
95.05067	3.1
96.96001	22.0
97.02953	7.2
97.06580	2.6
99.00885	5.7
101.02457	8.3
109.06601	10.4
111.00842	2.7
112.98800	2.7
113.02463	7.2
115.00394	7.4
119.03525	3.9
125.02444	12.7
125.09747	2.9
135.08144	2.5
137.37857	1.9
147.20461	2.1
163.11330	12.5
169.01431	9.1
171.10272	14.0
175.02487	18.7
176.02824	2.5
179.05569	2.8
181.12364	5.8
191.05669	2.1
199.13333	7.2
201.11287	5.9
207.10254	30.8
209.11830	100.0
210.12135	5.0
211.13417	2.3
216.13768	2.5
225.11290	25.8
227.12843	18.9
235.08221	2.6
243.12346	5.6
253.09308	3.0
274.66852	2.5
300.99835	10.4
397.13574	19.1
415.14566	8.0
474.56439	2.1
623.25519	3.3
723.69086	2.3
746.73358	2.2
762.45819	2.2
765.34442	2.4
797.36682	3.5
815.36841	6.1
833.38104	8.0
851.38074	3.4
883.41821	8.0
915.43109	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	914.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32842	100.0
71.01400	57.7
86.80415	10.1
87.00909	11.4
88.59150	10.2
89.02479	23.8
96.95988	26.7
99.00862	13.4
100.62412	10.0
101.02406	13.6
113.02505	13.1
115.00342	13.7
125.02440	38.6
133.43539	11.4
134.49861	12.8
157.40863	12.0
163.11307	15.9
169.01439	55.2
171.10350	13.7
175.02512	31.7
180.87936	10.8
201.01923	10.5
207.10237	17.6
209.11838	96.7
225.11288	30.0
227.13039	14.7
244.63872	10.4
285.04013	13.2
397.13367	21.9
415.14508	11.9
469.05298	29.7
607.21741	13.3
623.25586	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	914.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99564	7.0
69.83263	10.7
69.83663	10.2
71.01385	18.8
72.99312	6.3
73.02934	4.8
73.52555	4.9
78.95914	8.4
85.02954	5.3
87.00883	7.5
88.98824	5.9
89.02454	17.6
93.03490	6.6
96.96019	15.1
98.20547	7.7
101.02445	11.7
110.92060	4.2
112.98596	7.1
113.02441	11.5
119.08698	4.6
121.06583	4.8
125.02444	18.3
125.09765	12.8
135.08139	10.7
143.93665	4.0
163.11249	7.1
169.01393	20.0
171.10277	28.4
179.05673	6.5
184.97281	4.4
189.71217	4.1
197.11909	5.4
207.10191	7.4
209.11824	100.0
211.13504	4.6
225.11401	11.5
227.12877	21.9
256.28845	5.0
289.18039	27.9
307.19095	16.7
309.20901	9.0
318.24402	4.8
379.12671	4.8
379.87817	4.6
397.13480	39.5
415.14529	9.1
442.40637	4.7
469.55695	5.1
687.31934	7.2
763.74280	5.8
897.45288	8.2
915.46442	8.3
917.46027	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	913.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99561	7.1
69.03470	9.2
71.01370	35.8
72.99316	5.9
78.40615	4.6
78.95916	7.6
83.04994	6.9
85.02951	19.8
87.00886	8.6
88.98842	5.8
89.02448	22.8
93.58006	5.5
95.01400	5.4
96.96033	8.7
97.02949	7.3
98.20654	17.1
99.00924	5.6
101.02423	25.0
109.06607	10.4
111.04494	6.8
113.02431	9.3
119.03479	8.6
125.02449	16.4
125.09736	11.2
125.99924	5.1
146.90463	5.1
161.04538	7.6
163.11302	10.5
169.01436	15.8
171.10274	39.3
177.12837	7.7
179.05577	6.6
183.13966	8.5
185.11758	9.5
191.14447	6.3
195.13918	12.5
197.11856	13.7
205.12222	5.1
207.10255	14.9
209.11838	21.9
210.57990	4.9
211.13364	17.8
221.11841	42.6
223.13359	17.2
225.11298	11.2
229.14474	10.1
229.51086	6.4
229.53036	8.0
235.08218	14.7
239.12897	23.0
245.19011	10.1
253.09294	39.0
255.23119	7.6
255.82997	5.6
264.55624	4.8
277.21704	9.6
289.18048	59.3
290.18445	8.1
291.19788	8.7
293.21222	40.8
307.19150	74.1
308.19165	8.9
309.20724	27.6
312.68005	5.9
327.21750	100.0
328.22144	12.0
328.65817	5.6
379.12628	6.0
397.13324	19.7
415.14572	13.5
469.04691	5.8
563.30377	9.3
637.26660	5.9
913.45709	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	913.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01861	0.6
69.03433	5.4
71.01382	26.1
71.05009	0.9
72.99312	2.5
73.02943	3.6
78.95927	0.6
81.03477	1.7
83.01379	3.1
83.05035	1.3
84.01326	0.6
85.02954	5.8
87.00875	6.0
88.98776	0.6
89.02446	21.2
90.02808	0.5
93.03445	0.9
95.01389	2.3
95.05044	1.6
96.96014	0.9
97.02950	4.7
97.06635	1.0
99.00871	1.8
101.02444	17.4
109.06570	1.8
111.00874	0.6
111.04563	0.9
111.08150	11.4
113.02454	10.7
115.00374	0.7
115.04021	0.6
119.03493	6.6
123.08134	0.7
123.53172	0.6
125.02441	8.5
125.09692	0.7
126.02843	0.7
126.90443	1.1
127.04018	0.6
127.07692	0.7
131.03488	1.0
133.05093	0.6
136.00591	0.5
141.02003	0.8
143.03473	3.6
149.09724	0.7
153.09244	0.7
153.12891	1.2
161.04562	6.1
161.13309	0.6
163.11285	1.7
164.10437	0.5
165.12836	0.9
167.10771	4.4
169.01382	1.8
169.12349	5.0
171.10304	1.4
177.12831	1.0
179.05618	6.6
179.10794	2.1
179.14426	4.1
181.12329	1.8
183.13937	1.2
193.12378	0.7
195.13902	11.0
197.11827	57.8
198.12172	2.4
199.13411	3.6
205.12314	11.3
206.12680	0.9
207.10237	2.4
209.11790	2.0
211.13412	8.3
212.13800	0.8
217.07353	0.8
221.06676	2.3
223.13391	94.9
224.13722	5.7
225.11288	2.1
225.89450	0.6
227.12846	1.9
235.08231	6.4
239.12863	0.8
253.09296	1.3
263.07642	1.1
263.20099	3.5
265.14368	0.6
265.18140	1.6
273.18692	0.8
287.07672	2.4
289.18256	0.8
291.19678	19.6
292.19977	1.5
293.21274	1.2
300.99832	0.7
305.08859	1.8
307.19034	0.8
309.20718	100.0
310.21054	8.9
323.09869	1.6
379.12503	3.5
397.13516	49.1
398.13797	4.4
415.14587	18.8
416.14926	1.6
515.33569	1.3
577.24756	0.8
603.26251	4.3
604.27332	0.7
621.27716	12.3
622.27649	1.2
689.33954	2.2
707.34985	2.2
913.45911	3.0
914.47589	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.523
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76441	11.1
69.76858	7.8
71.01009	6.7
71.01385	100.0
72.99324	4.7
73.02989	4.0
81.03466	3.8
85.02942	6.4
87.00880	6.7
88.98800	6.5
89.02458	17.7
97.02943	8.7
99.00884	6.0
101.02450	24.8
109.06590	18.1
116.92845	8.3
125.02398	7.2
135.08171	4.0
140.71478	4.1
163.11270	15.2
164.90047	3.2
171.10272	8.4
181.12325	7.2
197.11696	4.0
199.13417	5.3
207.10251	58.2
225.11328	40.2
235.08275	5.9
236.38153	3.3
243.12410	4.7
255.23288	83.5
256.23575	6.3
292.84583	4.8
306.08954	3.8
328.95770	3.4
338.99542	3.9
339.63577	3.7
379.12454	4.6
397.13458	30.1
415.14410	8.8
496.12012	4.0
605.24628	8.2
623.24957	5.6
780.95972	3.7
835.01678	4.3
861.48383	28.3
862.49030	12.1
879.49219	14.1
911.52942	23.3
912.52527	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	913.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
67.31525	0.3
70.82337	0.5
71.01380	13.1
72.99296	1.1
73.02928	0.5
73.06682	0.2
83.01376	1.0
85.02963	3.2
87.00876	0.4
89.02442	10.2
95.01380	1.2
99.00873	0.5
101.02441	8.3
109.03033	0.3
113.02449	4.4
119.03498	4.4
125.02460	1.0
169.01405	0.6
171.10265	0.2
183.13892	0.7
189.34489	0.3
191.38629	0.3
195.13898	6.9
195.15602	0.5
196.14189	0.4
209.11737	1.0
213.14932	2.4
254.39351	0.4
289.16565	0.3
357.19394	0.6
375.20212	100.0
376.20563	8.9
382.07047	0.3
429.10229	0.4
635.74280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	1.3
69.19356	9.6
71.01380	17.8
72.99326	1.4
73.02964	3.7
76.20200	0.9
80.02670	2.1
81.03461	2.6
83.01383	3.0
83.05016	8.6
84.02183	1.2
85.02943	5.3
85.57680	1.1
87.00895	4.7
88.98843	1.1
89.02451	14.7
93.03470	1.3
95.01380	1.4
95.05012	1.5
96.96000	1.8
97.02941	3.7
97.06612	1.0
99.00874	1.3
101.02455	14.1
109.02983	1.3
109.06666	1.3
113.02446	6.1
117.81910	0.9
119.03505	3.2
121.02940	1.9
123.00826	2.1
125.02466	7.6
125.62249	1.1
128.45644	1.0
131.03598	1.2
137.02396	1.1
143.03505	2.3
150.00618	1.0
150.03157	1.3
151.11243	1.8
153.12848	2.0
161.04596	3.1
163.11288	7.8
165.12843	4.0
169.01376	4.8
169.12341	23.6
171.10197	2.2
179.05620	2.2
191.10797	1.5
192.03999	0.9
197.11829	54.1
198.12225	3.0
209.11829	100.0
210.12129	5.5
221.06631	3.0
225.11382	1.8
227.12852	7.0
235.08231	2.9
300.99866	1.4
303.45090	1.0
397.13412	3.3
735.63849	1.0
849.37659	19.3
850.37939	2.4
881.40186	45.0
882.40790	11.1
913.42938	71.1
914.43018	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	905.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	64.1
73.02941	12.9
73.38710	4.9
75.00874	12.0
75.41866	5.5
78.95926	6.3
80.96501	6.6
83.01397	6.5
85.02946	7.2
87.00874	6.6
89.02460	28.1
97.02914	10.5
98.19894	18.3
101.02445	31.7
109.06587	22.5
111.08200	7.5
113.02444	20.8
113.06059	7.2
116.92898	5.1
125.02423	12.1
125.09736	6.6
143.03526	11.4
161.04570	16.9
161.09744	5.7
163.11246	12.1
167.03528	6.1
169.01338	7.7
171.10272	100.0
179.05733	6.7
197.11823	55.8
199.09738	52.5
201.11340	22.0
207.10239	59.2
209.11810	27.4
211.13510	9.6
225.11351	61.8
227.12808	8.1
235.08215	13.3
253.09225	33.9
277.21698	8.9
281.24847	97.9
291.19684	21.6
307.19531	6.2
309.20663	84.8
310.21054	7.0
379.12289	19.3
386.59259	5.6
397.13593	63.0
415.14581	12.7
435.18616	14.9
461.20108	6.7
551.23749	6.0
605.23682	8.2
623.25891	6.0
727.39325	20.3
753.40997	16.3
887.50067	6.5
905.47083	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	905.5106
Annotation	CHLOROPHYLL B
Peak:m/z	Relative Intensity
71.01379	30.1
73.02956	2.4
75.86697	2.1
76.97115	2.2
78.95909	2.3
80.91650	3.9
83.01392	3.4
85.02959	8.0
85.39967	2.0
87.00882	5.1
89.02451	16.3
97.02931	6.5
98.20747	4.8
99.00887	10.8
101.02443	15.1
104.70416	2.3
113.02444	10.1
119.03490	2.9
125.02428	7.0
125.09710	6.4
126.58953	2.5
161.04564	2.6
163.11270	6.2
171.10283	19.4
177.11162	2.3
181.12335	11.9
197.11856	2.7
199.13385	11.4
201.11345	4.7
207.10248	27.5
209.11794	11.7
217.22073	2.1
225.11337	45.0
235.08127	2.9
243.12323	10.8
253.09277	3.8
263.92169	2.1
277.21661	4.5
281.24854	67.3
282.25220	6.8
283.79343	2.3
307.19220	3.2
379.12418	4.0
397.13495	22.5
415.14496	3.0
887.50146	15.9
905.51129	100.0
906.51770	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	911.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71556	0.2
70.52200	0.2
70.52549	0.5
82.69942	0.1
108.02233	0.2
115.46375	0.2
117.03443	0.2
129.03427	0.2
145.02982	1.0
151.00354	0.8
157.02975	0.5
161.02402	0.2
163.00366	0.2
163.03969	0.4
170.43442	0.2
172.01511	0.2
173.02425	1.3
177.08952	0.1
178.99901	0.3
185.02432	2.3
189.01987	0.2
191.03464	0.1
191.27048	0.1
193.66830	0.2
199.00421	0.3
200.01202	0.2
200.29919	0.1
201.01920	2.0
205.78201	0.2
213.01923	0.2
217.01482	0.5
226.99895	0.7
228.00481	0.2
229.01408	3.7
243.02963	0.7
245.00893	1.6
254.99179	0.2
255.00700	0.2
255.02939	1.2
256.00153	0.2
257.00946	1.8
271.02478	2.6
283.99619	2.5
285.00131	0.2
299.99146	2.5
300.02771	7.1
300.99893	100.0
302.00214	7.4
302.03674	0.4
347.11328	0.2
609.14581	13.5
610.15063	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	903.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	1.7
69.40147	4.2
69.40568	1.8
69.56232	0.8
71.01010	1.4
71.01380	16.4
72.01709	0.8
72.95123	0.9
72.99306	1.4
73.02947	3.4
75.00856	1.3
78.95893	1.1
81.03439	1.5
83.01370	3.3
83.05016	2.2
84.02160	1.3
85.02942	5.4
85.32861	0.9
87.00876	4.1
89.02446	12.5
95.01365	0.9
95.05009	1.5
96.96015	17.6
96.96661	1.2
96.96943	1.8
97.02941	3.7
97.06095	0.7
97.06587	6.5
98.95571	0.9
99.00887	1.9
99.92622	2.2
101.02438	12.2
111.08138	4.2
112.98582	1.0
113.02452	6.3
114.93421	1.2
116.92872	9.8
117.92820	0.8
119.03491	3.8
119.08619	1.0
120.27278	0.9
125.02448	4.7
125.09704	3.3
137.09718	1.1
143.03502	1.2
151.11275	12.6
155.62631	0.8
161.04549	3.1
163.11284	1.5
165.12875	2.0
169.01398	3.7
169.12334	60.2
170.12590	1.7
171.10271	11.6
181.12242	1.3
183.13838	1.3
185.11781	2.3
191.10829	1.9
193.12297	2.0
197.11806	20.3
198.12199	1.4
199.13339	2.0
209.11821	23.2
210.12196	1.1
211.13394	7.6
213.11319	8.3
221.06639	2.2
225.14908	2.9
227.12830	3.0
229.14482	2.0
235.08215	2.9
241.14471	15.6
242.14735	1.5
253.09222	8.9
289.18207	0.9
291.19604	3.7
293.21021	1.1
307.18958	1.5
309.20764	9.7
321.20639	1.7
327.21759	20.1
336.94641	0.9
341.23340	13.0
342.23593	1.0
397.13449	2.1
415.14453	1.3
466.16049	0.9
551.36139	1.0
593.23792	1.2
611.26025	1.8
720.19257	1.0
752.23645	0.9
885.44855	1.0
903.45929	100.0
904.46417	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
68.74931	0.7
69.98225	0.8
71.01385	8.5
73.02963	1.1
83.05025	3.8
85.02942	1.8
87.00882	1.9
89.02456	7.9
97.02975	1.5
98.20695	1.4
101.02452	5.7
104.65761	0.8
113.02460	2.9
119.03506	2.3
125.02468	10.1
129.02005	0.9
143.03549	1.2
144.48323	0.9
161.04616	2.9
163.11259	2.8
165.12820	1.4
169.01447	6.9
179.05580	3.8
188.81688	1.0
199.54964	0.8
207.10201	0.9
209.11830	100.0
210.12192	4.8
227.12892	25.8
228.13182	1.8
235.08240	3.0
305.08792	1.9
323.09805	2.0
379.12445	7.9
393.04767	1.0
397.13513	34.6
398.13602	2.4
415.14639	6.4
469.04922	3.5
469.55316	2.0
554.46112	1.0
589.25037	8.1
590.25128	1.0
607.25958	10.0
608.26593	2.4
799.37341	3.1
817.37939	1.2
877.37140	0.9
903.39899	22.5
904.40393	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	903.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
70.51196	21.2
70.51518	11.6
71.01388	100.0
72.99284	11.9
78.91915	11.0
78.95888	17.3
80.91713	10.2
80.96519	15.8
83.01388	14.9
87.00854	10.0
89.02456	13.7
101.02443	26.3
113.06080	22.2
125.02441	16.1
163.11359	13.6
167.91342	10.2
171.10274	43.5
185.11909	16.2
199.09763	31.7
201.11362	23.4
207.10255	48.5
209.11870	74.9
223.09819	14.8
223.17937	9.9
225.11325	44.2
227.12935	14.0
245.18933	17.0
253.09285	24.2
279.15970	13.1
279.23224	14.1
281.24872	38.7
289.18118	69.2
307.19171	50.8
397.13528	40.0
565.14471	10.1
602.35486	11.7
903.48090	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99553	4.5
69.03452	2.5
71.01012	1.2
71.01383	17.5
72.99303	1.2
73.02946	2.4
78.91897	0.9
78.95871	1.6
79.95722	1.2
80.96533	1.6
81.03461	1.3
83.01395	2.0
83.05016	2.5
85.02943	6.0
87.00877	3.8
89.02449	10.7
94.98073	1.0
95.01405	1.2
95.05003	1.8
96.96013	17.0
96.96954	1.9
97.02930	3.3
97.06593	5.5
99.00875	1.5
101.02442	12.4
111.00887	1.0
111.08148	3.6
112.98577	3.4
113.02450	5.3
116.92869	11.9
119.03461	2.4
123.00932	1.3
125.02470	5.4
125.09708	3.0
131.03456	1.2
137.09663	1.1
143.03473	1.1
151.11281	12.0
153.12833	1.6
161.04543	3.3
163.11293	1.0
165.12871	1.3
169.01382	3.4
169.12344	56.2
170.12605	2.0
171.10277	11.6
179.05643	1.8
185.11780	2.0
191.10776	1.5
193.12296	2.0
195.10243	1.7
197.11841	19.9
199.13405	1.6
208.80356	0.8
209.11826	19.0
210.12163	1.5
211.13445	4.8
213.11316	7.3
221.06645	2.1
225.14795	1.8
227.12842	3.2
229.46477	1.5
235.08226	2.7
241.14450	4.5
253.09262	5.5
289.17966	1.5
291.19601	3.8
293.21225	1.3
301.00006	1.1
309.20657	7.9
310.20996	1.6
327.21680	11.7
341.23300	12.7
342.23651	1.1
344.91791	1.2
397.13370	4.1
593.24933	1.6
611.25806	2.1
885.44897	1.0
903.45929	100.0
904.46411	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	903.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00327	1.0
67.01890	1.1
68.99783	0.7
69.03467	1.0
71.01382	3.3
71.06865	0.6
72.99309	0.8
79.01896	1.2
81.03451	1.4
83.01380	1.1
85.02942	1.0
93.03474	0.9
95.01385	5.9
97.02937	2.4
98.19836	1.5
99.86685	0.7
101.02446	2.6
107.01382	9.6
107.05003	0.7
109.02959	1.5
111.00892	3.3
113.02462	2.3
115.49678	0.7
117.03492	0.7
121.02985	0.7
123.00883	16.3
124.01686	3.1
125.02444	81.8
126.02805	2.3
127.00385	0.7
133.02966	0.7
135.04527	1.2
136.98831	1.8
137.02477	2.5
139.00346	5.2
140.01154	4.5
141.01988	0.9
145.02950	1.9
147.04498	0.9
149.02414	2.1
151.00356	5.6
151.04002	1.0
153.01920	1.1
161.02443	2.6
163.03996	1.3
165.01865	1.8
166.99835	6.8
167.03474	1.3
168.00647	8.8
169.01421	100.0
170.01720	3.1
173.02496	0.8
177.01936	2.3
179.03482	6.0
181.01447	1.1
187.04126	1.2
189.05547	0.9
191.03479	2.5
193.01431	4.4
203.03520	1.5
205.01414	1.1
205.04999	1.2
206.02090	0.7
207.02965	2.8
211.02464	5.6
215.03571	0.9
219.02960	0.9
220.98907	0.6
221.00937	2.2
221.04543	2.8
227.03456	1.7
229.05202	1.2
233.04514	2.1
235.02448	3.1
241.03543	2.0
251.05684	0.9
253.03522	0.7
253.48058	0.8
255.02985	4.2
277.03528	0.7
279.05078	2.7
283.02481	1.0
284.03275	2.8
285.03992	4.8
295.04562	6.4
300.02637	1.0
301.00134	0.7
301.03491	1.6
313.05646	20.1
314.05991	1.0
371.20978	1.2
403.06625	4.1
413.21820	2.7
414.22174	0.8
421.07761	2.1
445.07883	1.3
447.05576	7.1
448.06146	1.2
449.07242	2.0
465.06683	32.1
466.07184	3.2
573.08813	4.7
599.10760	1.3
617.07819	68.8
618.07886	10.2
733.10278	2.9
751.11621	8.7
752.11517	1.5
903.12445	11.5
904.12939	2.7
909.81641	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00301	0.6
67.01894	1.2
69.03444	1.2
69.14851	3.7
69.15255	1.4
71.01378	3.4
72.99306	0.8
73.02935	0.9
79.01888	1.4
83.01395	2.2
85.02962	3.9
93.03445	1.1
95.01388	2.9
95.05038	0.6
96.96001	0.5
97.02951	2.1
99.00838	0.6
101.02450	4.9
107.01395	9.4
107.05014	0.7
109.02954	0.7
111.00861	2.6
113.02448	6.0
117.03445	0.6
119.05005	0.6
121.02945	1.0
123.00887	13.2
123.04536	0.6
124.01669	2.0
125.02443	68.2
126.02795	1.4
127.00335	0.6
128.17299	0.6
132.93153	0.5
133.02956	0.6
135.04517	1.4
136.98792	1.7
137.02431	1.1
139.00394	5.7
139.03925	0.7
140.01172	4.3
141.01936	1.6
143.03503	1.5
143.31963	0.5
145.02925	0.9
145.88751	0.5
147.04498	0.6
149.02415	1.4
151.00359	11.3
151.03979	1.7
153.01952	0.7
161.02461	3.9
163.00369	0.6
163.03992	1.0
165.01910	0.7
166.02649	0.7
166.99841	3.4
167.03465	1.4
168.00630	6.8
169.01418	100.0
170.01790	3.0
173.02431	0.5
175.00325	0.5
175.04048	0.8
177.01874	1.5
179.03496	7.8
183.02945	1.9
185.06308	0.5
187.04024	0.9
189.01942	0.6
191.03511	2.1
193.01457	3.8
193.05061	0.9
203.03552	1.2
205.01414	1.1
207.02933	1.1
209.04515	1.1
211.02480	1.8
213.05449	0.7
221.00883	0.9
221.04480	1.0
223.02521	0.8
227.03429	0.9
229.05057	1.8
235.02455	1.9
247.02545	0.6
251.05594	1.4
255.02930	2.4
257.04517	1.0
267.05225	0.7
283.02493	0.8
284.03329	1.6
285.04016	8.1
295.04614	3.9
297.06149	0.7
313.05640	41.5
314.05969	2.1
421.07751	3.6
423.00204	0.5
465.06705	75.3
466.07004	7.2
486.22906	0.5
599.10376	2.7
600.10938	0.5
617.07501	2.9
751.11450	48.4
752.11841	8.4
903.66357	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98518	5.2
68.99560	13.1
69.03445	8.1
71.01384	54.9
71.49646	7.2
72.99311	5.4
73.02945	13.5
78.95914	10.8
83.05058	6.9
85.02952	17.9
87.00851	16.0
89.02440	38.4
96.96027	31.7
97.02943	15.7
99.00886	5.8
99.92596	7.9
101.02468	37.6
105.74522	4.7
108.98653	4.8
109.06594	11.5
111.68078	5.2
112.98561	15.5
113.02459	25.9
116.92870	55.1
119.03496	9.9
120.60691	5.6
125.02450	35.5
127.11241	5.9
143.03496	9.9
161.04507	11.2
163.11310	15.2
169.01404	13.3
169.49260	4.5
171.10280	100.0
172.10626	25.3
179.05655	8.8
197.11812	8.3
199.13385	8.2
201.11310	64.2
202.11700	7.7
207.10277	23.3
208.10602	7.7
209.11819	56.5
211.13361	15.0
225.11366	53.3
226.11784	22.7
227.12941	12.0
235.08264	15.7
243.12286	7.1
277.21729	85.4
278.22092	42.6
291.19574	5.7
292.20041	6.6
293.18271	6.3
293.21118	24.6
294.21786	9.9
309.20557	9.9
379.12494	15.0
380.12744	9.4
397.13531	81.5
398.13843	29.2
415.14316	22.4
416.14578	6.7
448.05484	5.1
469.04834	7.1
470.04919	5.0
470.22449	5.4
624.26233	5.7
884.46338	8.5
902.47620	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	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99570	1.4
69.03457	1.4
71.01380	13.8
72.99298	1.4
73.02950	1.9
75.00878	0.5
78.95928	0.8
80.02674	1.4
80.96491	0.3
81.03467	2.0
83.01377	2.0
83.05025	6.1
84.02136	0.8
85.02958	3.4
86.80216	0.3
87.00876	3.0
89.02446	13.0
89.39066	0.3
93.03458	0.3
95.01379	1.3
95.05030	0.9
96.96007	4.8
96.96957	0.8
97.02958	2.2
99.00882	0.9
101.02451	11.2
109.02929	0.5
109.06540	0.6
111.00859	0.4
111.08142	0.8
112.98546	1.1
113.01712	0.6
113.02456	6.6
116.92843	0.4
119.03481	3.1
125.02456	4.3
125.06079	0.9
125.09775	0.6
131.03502	0.6
133.05087	0.3
135.08151	1.6
139.04037	0.6
143.03513	1.8
147.11783	0.3
151.11259	0.4
161.04544	3.3
163.11292	4.4
165.12845	2.9
169.01454	0.7
169.12398	0.5
171.10313	0.6
177.12833	0.4
179.05595	3.4
181.12366	0.6
183.13890	0.7
185.11884	0.6
190.73573	0.5
191.10768	1.0
195.12128	0.4
195.13896	6.4
197.11792	1.7
199.06143	0.3
199.13429	0.8
205.12167	0.5
205.16049	0.6
207.10272	0.5
209.11819	100.0
210.12195	6.0
211.13377	6.5
217.06995	0.4
219.25476	0.3
221.06676	2.0
223.13393	4.7
225.11378	0.4
227.12885	11.7
228.13335	1.2
231.21146	0.5
235.08205	3.6
235.17024	0.9
251.12979	0.7
253.09178	1.6
256.13171	1.1
265.21677	0.5
275.20166	5.2
287.07742	1.3
291.19678	1.4
293.21222	88.3
294.21515	8.1
305.08820	1.7
309.20676	4.9
323.09879	0.8
337.47531	0.3
341.23242	0.6
379.12332	2.5
397.13480	38.1
398.13821	2.9
415.14569	12.9
416.14944	1.1
589.24689	0.6
607.26373	2.2
625.27179	0.6
691.35413	1.1
713.30865	0.6
732.69537	0.4
901.47601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09374	0.4
67.47639	0.3
68.83524	0.3
68.99554	2.7
69.03445	1.7
69.53967	0.6
69.54379	1.6
71.01383	15.9
72.01708	0.3
72.99303	1.6
73.02956	2.0
78.95902	0.7
80.02663	1.2
80.96528	0.5
81.03459	2.1
83.01385	2.1
83.05020	6.0
84.02135	0.8
85.02949	3.9
87.00881	3.7
89.02445	13.0
91.04008	0.3
93.03424	0.4
94.98070	0.5
95.01385	1.2
95.05005	1.1
96.96010	3.8
97.02949	2.3
97.06564	0.4
99.00866	1.2
101.02443	12.8
109.06573	0.7
111.00864	0.6
111.04501	0.4
111.08150	1.1
112.98593	2.1
113.01714	0.5
113.02453	7.4
113.09743	0.6
116.92860	0.7
119.03510	4.2
121.02976	0.4
123.00927	0.5
125.02456	4.2
125.06070	0.7
125.09674	0.5
131.03494	0.7
135.08145	0.8
139.03897	0.4
141.01913	0.5
143.03490	2.1
145.05060	0.4
147.11787	0.4
149.04538	0.6
151.11278	0.4
161.04547	3.1
163.11267	5.0
165.12833	2.4
169.01390	0.6
169.12344	1.0
171.10248	2.0
179.05602	4.5
179.14403	0.7
181.12360	1.0
183.13867	1.2
191.10791	0.9
195.13911	7.9
196.14398	0.6
197.11804	2.1
199.13419	0.6
205.12335	0.5
207.10216	0.6
209.11816	96.5
210.12151	5.6
211.13419	7.4
217.07178	0.9
221.06752	2.0
223.13365	4.9
224.13733	0.6
225.11230	0.7
225.15031	0.6
227.12880	12.7
228.13309	1.4
235.08191	4.9
235.17003	0.9
251.12912	0.5
253.09315	1.3
256.13126	1.1
265.21878	0.4
275.20132	6.7
276.20563	0.8
287.07675	1.2
291.19742	1.7
292.20099	0.4
293.21216	100.0
294.21521	7.8
301.00058	0.4
305.08734	1.5
309.20740	4.8
310.21146	0.5
317.21106	0.8
323.09857	1.0
341.23386	2.1
379.12411	2.6
397.13483	33.9
398.13803	2.7
415.08954	0.7
415.14536	13.3
416.14865	1.6
485.32904	0.8
503.33685	0.4
589.24664	0.5
595.90466	0.4
607.25983	2.2
608.26416	0.6
673.34747	0.9
679.15332	0.4
691.35394	1.6
901.45721	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	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
68.68658	0.5
68.99834	0.8
69.03443	0.8
71.01379	100.0
72.01703	1.5
72.99307	1.4
73.02950	3.5
78.95899	1.2
80.91689	0.5
81.03468	1.1
83.01376	1.3
83.05042	0.7
85.02943	3.5
87.00872	3.6
89.02433	9.6
93.03476	0.5
95.01398	1.4
95.05027	0.9
96.96019	0.9
97.02951	2.5
97.06573	0.5
98.19928	1.9
99.00890	1.8
101.02442	8.7
107.08704	0.5
109.02982	0.6
109.06585	3.1
111.00872	0.7
111.04542	0.7
113.02457	4.8
116.35454	0.5
116.92875	0.5
119.03494	3.4
125.02441	4.5
125.09729	1.7
127.11291	1.3
131.03593	0.6
135.08116	0.8
139.07648	0.9
143.03557	1.3
152.83646	0.5
155.10793	1.5
161.04538	1.9
163.11287	3.7
171.10258	18.7
172.10690	0.9
172.28267	0.5
179.05627	3.0
179.10765	0.7
181.12320	1.7
185.11792	1.3
197.11803	1.0
199.13431	1.1
201.11317	11.7
202.11635	0.7
207.10240	11.8
208.10614	0.9
211.13379	0.6
215.12900	1.5
221.06645	1.0
225.11311	17.9
226.11642	1.6
235.08182	3.2
243.12395	1.6
253.09187	0.8
277.21698	30.0
278.22034	2.8
287.07401	0.5
305.08698	0.7
309.21112	0.5
323.09824	0.6
335.79327	0.5
349.40967	0.6
379.12469	2.4
380.92004	0.5
397.13474	18.6
398.13965	1.5
415.14594	5.0
439.14783	1.2
605.24451	1.5
623.25305	2.5
675.36371	1.0
827.48358	0.6
883.47198	4.5
884.47296	1.4
901.47852	7.4
902.48474	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	901.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98534	2.2
62.99253	1.1
63.99252	1.8
68.99791	0.8
69.03456	1.3
69.90744	0.6
70.98792	1.7
71.01381	100.0
72.01717	1.5
72.99326	1.2
73.02930	3.8
73.64706	0.7
75.00906	0.7
78.95923	0.7
81.03460	0.7
83.01391	1.4
85.02962	3.8
85.81202	0.7
87.00882	3.6
89.02442	9.6
91.20755	0.7
95.01409	1.8
95.05020	0.9
96.96017	2.9
97.02953	3.3
98.20503	0.7
98.26792	0.7
99.00895	1.8
101.02438	8.1
106.04251	0.7
109.06596	4.8
110.03720	1.1
113.02452	5.5
116.92884	3.0
119.03493	2.4
125.02451	4.3
125.09779	1.5
126.11435	0.8
127.11259	1.1
141.01907	0.8
142.02667	0.7
143.03508	1.4
145.94379	0.7
155.10742	1.6
160.28654	0.8
161.04532	2.0
163.11287	3.1
165.09196	1.2
167.10721	0.7
171.10263	23.7
171.11697	1.4
179.05615	3.1
181.12325	1.8
185.11801	2.3
189.09135	1.2
199.09744	1.0
199.13406	1.4
201.11310	14.5
201.13007	1.3
207.10237	13.2
208.10480	1.2
209.11940	1.2
215.12965	1.6
221.06673	2.0
225.11314	22.6
226.11636	1.4
235.08244	3.9
243.12335	2.1
253.09224	1.1
277.21722	27.5
278.22119	2.8
287.07944	1.4
293.21265	1.4
305.08746	0.9
379.12476	3.9
397.13495	16.3
415.14542	4.5
605.24329	1.4
623.26178	3.7
883.46332	5.0
884.47467	1.1
901.47681	6.0
902.48102	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	900.496
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98526	22.2
63.78921	9.7
63.99242	13.5
70.97198	21.3
71.01395	100.0
75.00834	12.3
78.95885	15.8
79.95744	28.5
80.96512	47.2
86.02122	9.4
101.02464	16.0
101.60670	11.5
102.58510	10.7
113.02403	12.2
137.85451	10.6
169.01367	13.8
171.10265	39.2
187.14613	10.5
207.10098	12.3
209.11890	14.2
210.12122	13.3
225.00703	22.7
225.11250	19.9
255.23256	19.1
256.23685	10.5
269.21664	11.3
277.21561	16.6
293.21075	14.0
397.13614	31.0
441.38617	11.3
478.82675	11.9
524.35498	11.0
815.39392	11.8
900.45465	21.5
901.46436	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98545	4.3
66.24954	3.7
69.90775	15.0
71.01388	100.0
73.02940	5.0
78.95904	9.4
79.95724	6.6
80.96505	13.7
85.02958	5.6
86.01048	3.5
87.00894	5.4
88.21945	3.4
89.02452	15.9
96.96018	14.2
97.06567	4.3
98.20630	6.2
99.00856	4.4
99.92606	3.9
101.02451	11.8
109.06588	4.9
113.02429	10.4
115.00269	4.2
116.18458	3.8
116.92884	32.8
125.02446	8.1
143.03490	3.9
163.11275	7.0
171.10312	24.7
181.12379	3.4
197.11852	10.1
200.09016	3.2
201.11272	21.5
207.10219	19.5
209.11847	7.1
211.13437	6.5
217.84201	3.3
221.06630	4.2
225.11324	31.3
235.08131	4.6
277.21710	35.8
278.22006	4.0
293.21274	5.0
306.92493	3.7
309.20813	7.1
379.11832	4.3
397.13489	20.3
407.98065	3.5
485.34045	3.6
507.98862	3.9
587.32043	3.4
623.25970	8.4
826.48914	10.2
883.46869	6.9
900.45734	19.6
901.46997	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	900.496
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04214	20.8
69.56523	100.0
69.56937	41.6
71.38434	21.0
75.02369	19.7
80.17004	20.9
80.96514	33.7
96.73608	22.0
200.48668	24.7
224.31870	18.8
279.11948	21.0
299.01996	19.1
337.20346	23.7
341.24615	25.0
470.95584	25.1
612.17975	26.6
628.15314	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98527	6.0
69.03448	5.7
71.01383	27.1
80.96592	4.7
87.00880	8.8
89.02440	14.8
96.96009	7.5
97.02915	6.8
97.79301	4.6
98.20664	13.6
99.94446	4.5
101.02444	12.8
111.84794	4.4
113.02464	8.1
125.02493	5.9
128.25664	4.1
151.11330	5.7
159.04338	4.1
171.10222	15.6
175.02513	6.7
197.11887	27.2
198.12103	9.5
207.10217	8.4
225.11314	10.3
229.23807	4.7
277.21683	39.9
278.22058	16.8
365.90475	4.5
397.13489	18.2
658.64813	5.0
900.46796	100.0
901.47211	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	900.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98521	38.8
66.70343	20.7
69.92399	100.0
71.01387	35.5
75.00813	29.9
75.35639	20.8
80.96508	26.3
84.71074	19.4
87.00912	28.0
89.02404	24.8
94.19224	22.1
98.19951	21.1
101.02444	21.5
113.02518	27.9
115.00340	32.6
116.92815	21.5
157.88528	21.8
171.10243	55.0
175.02437	61.4
175.03975	22.6
225.11272	27.7
232.70041	23.0
277.21729	43.9
278.22122	27.3
792.85150	25.6
900.46143	73.1
901.46674	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98518	36.9
70.05537	100.0
71.01376	89.4
78.95925	29.9
80.96494	54.9
81.24468	25.2
89.02456	26.5
94.98100	26.2
96.96013	41.9
101.02426	26.9
109.07543	25.2
120.07719	28.3
168.37048	25.3
171.10275	35.1
203.96735	26.3
277.21579	45.1
367.24866	26.1
397.13342	48.1
424.15356	28.4
901.49530	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4793
Annotation	Unknow
Peak:m/z	Relative Intensity
67.41440	1.0
69.03444	1.9
71.01381	19.6
71.05016	2.7
72.99272	1.4
73.02943	3.4
73.14860	0.9
75.86889	0.9
79.95742	2.8
80.96512	11.1
81.03448	1.6
83.01389	2.0
83.39074	1.0
85.02964	5.5
87.00869	4.5
88.93335	1.0
89.02453	11.8
94.98096	2.6
95.01401	1.2
95.05031	1.1
96.96002	4.3
97.02951	6.8
97.06568	2.3
99.00880	9.6
101.02435	10.5
102.02850	1.1
110.03763	1.0
113.02464	5.2
114.61526	0.9
116.92857	1.7
119.03476	3.8
123.08195	1.4
125.02457	5.8
125.09721	5.4
134.35715	0.9
143.03499	1.6
148.99152	1.0
155.10855	1.2
161.04555	3.2
163.11276	9.1
164.98608	1.9
169.01494	1.4
171.10243	14.4
179.05608	3.3
179.10794	1.2
181.12311	9.7
189.09229	1.7
197.11827	3.2
199.09746	1.1
199.13419	8.2
201.11304	5.3
207.10265	25.8
208.10568	1.7
209.11743	1.6
217.07173	1.2
221.06657	1.8
225.00772	2.9
225.11317	42.8
226.11792	1.3
235.08296	2.6
243.12381	9.1
277.21716	47.7
278.22018	3.6
309.20667	1.6
379.12415	3.3
397.13422	15.7
398.13596	1.6
415.14511	4.3
502.72672	1.2
605.24487	3.0
623.25391	4.3
642.10321	1.0
855.71063	1.5
883.47058	13.6
884.47662	3.6
901.47815	100.0
902.48187	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	899.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	11.8
75.00869	5.3
78.95901	1.9
79.95699	1.8
83.05038	2.9
85.02950	2.2
87.00893	4.2
89.02438	9.5
97.02938	2.3
100.03765	1.3
101.02426	11.8
103.23369	1.2
107.48725	1.3
113.02428	6.6
119.03513	4.4
125.02441	5.4
128.21495	1.4
143.03436	3.3
161.04539	3.3
163.11215	2.2
165.12834	2.2
169.01442	1.4
179.05591	8.4
190.60760	1.2
209.11818	100.0
209.96681	1.2
210.12180	4.4
221.06636	1.3
227.12888	23.5
235.08192	3.2
255.23280	34.2
256.23633	3.9
277.21732	2.6
287.07568	2.7
305.08694	2.5
323.09869	2.2
379.12366	15.6
380.12375	1.7
397.13501	51.9
398.13666	3.0
415.14615	12.6
488.20599	1.4
523.64056	1.4
589.25073	6.5
607.26202	9.6
635.36334	3.3
653.37390	2.2
780.24878	1.5
899.47809	33.0
900.48529	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	899.465
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45456	0.5
65.00485	0.5
65.20601	0.6
69.03470	3.7
70.51363	1.8
71.01013	1.2
71.01387	17.5
71.05019	1.4
71.21638	0.5
72.99290	1.9
73.02966	2.7
73.03313	0.6
75.00880	0.8
78.95874	0.7
79.95741	0.9
80.96513	1.4
81.03440	0.9
83.01387	1.7
83.05032	1.2
85.02950	4.1
87.00888	4.8
89.02451	10.8
95.01385	2.4
97.02953	2.3
97.06577	1.1
99.00882	1.0
101.02450	8.7
111.04555	1.3
113.02467	5.2
115.00385	3.0
116.92886	0.6
119.03497	1.9
121.03040	0.7
121.06654	0.5
123.00895	0.6
123.08099	0.9
125.02441	3.9
125.09699	2.2
131.03474	0.7
133.06616	0.7
143.03511	1.1
151.11330	1.4
153.12880	1.6
161.04538	1.1
161.09700	1.9
169.01407	1.3
169.12311	2.4
171.10237	2.3
175.02495	5.3
176.94411	0.6
179.05667	1.0
179.10794	4.9
197.11842	58.1
198.12190	2.2
205.08626	0.7
207.10153	1.5
209.11800	1.2
211.13329	2.4
212.04546	0.6
221.06746	2.7
223.09758	2.9
235.08244	1.1
239.12796	0.6
241.10786	3.8
253.09373	0.7
277.21753	23.8
278.22009	1.8
293.21219	1.7
295.22678	0.9
309.20862	0.8
379.12552	0.9
397.13568	6.5
415.14456	2.1
621.24365	1.1
667.90057	0.7
781.44196	0.7
899.46503	100.0
900.46765	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	100.0
71.50215	16.3
75.00884	13.3
78.95932	14.3
80.82080	14.3
80.96523	39.1
89.02448	31.5
97.02957	19.7
101.02423	37.6
109.06577	16.3
110.06130	14.6
113.02474	29.2
125.02443	17.8
169.01503	21.7
171.10265	66.5
172.10596	16.0
189.72409	14.4
207.10249	44.7
209.11844	32.1
221.11807	28.2
222.12169	16.4
223.09843	17.4
255.23215	20.0
277.21680	48.6
278.22131	18.4
291.15619	12.7
291.19647	18.5
293.21222	64.1
309.20810	16.4
335.86417	14.3
397.13480	43.7
398.13882	22.1
415.14560	22.6
898.47388	46.5
899.46106	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42302	0.9
71.01376	8.8
72.99292	1.7
73.02950	1.0
74.14365	0.9
75.00848	2.0
81.03475	1.1
83.01391	1.6
83.05025	5.4
85.02940	2.8
87.00874	2.8
88.98769	1.9
89.02438	6.0
89.75874	1.0
96.95998	1.3
97.02969	1.3
101.02412	5.3
109.06592	1.2
111.41398	1.1
113.02432	3.9
119.03477	2.3
119.76598	1.0
123.00833	1.7
123.05560	1.0
125.02460	6.6
125.09690	1.0
129.01924	2.7
135.02979	2.2
161.04515	1.9
161.11525	0.9
163.11293	4.0
165.12827	2.1
166.99860	1.0
169.01414	5.5
171.10268	2.8
175.02428	1.9
179.05553	2.9
181.12344	1.7
207.10188	1.5
209.11818	100.0
210.12167	6.4
211.13336	1.5
217.85071	1.1
221.06657	1.8
225.11324	1.3
227.12877	15.8
229.24629	1.4
235.08183	3.0
245.99066	1.0
287.07883	1.1
300.99890	1.6
379.12439	4.8
397.13525	22.8
398.14063	1.3
415.14520	5.3
469.05643	1.4
469.55130	2.3
509.04279	1.1
589.25055	2.1
607.26068	3.1
714.10718	1.2
716.67139	1.1
835.39178	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	899.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03459	2.1
71.01382	31.2
71.05017	1.0
72.59132	0.7
72.99302	3.1
73.02944	3.0
75.00895	1.0
78.95922	1.3
79.95738	1.1
80.02682	1.2
81.03453	4.1
83.01391	2.9
83.05033	6.0
84.02168	0.8
85.02947	5.6
87.00883	5.1
89.02448	18.9
94.98055	2.1
95.01389	2.5
95.05009	2.1
96.96001	2.2
97.02960	5.9
97.06600	1.0
99.00896	1.6
101.02441	19.0
107.05034	0.7
109.06587	11.4
110.03773	0.7
111.04491	0.8
111.08160	7.7
113.02441	9.1
116.38428	0.6
116.92923	0.7
119.03500	4.9
121.06615	1.1
123.04523	0.8
125.02457	7.2
125.06063	0.9
125.09744	1.7
126.90341	2.5
131.03511	1.1
135.08162	1.8
137.09769	0.9
139.11275	0.7
141.01929	0.9
143.03467	4.6
149.04585	1.0
161.04585	3.9
161.09712	0.8
163.11284	10.8
165.12834	2.2
167.10754	2.2
171.10287	2.3
177.12831	1.8
179.05579	5.0
179.10765	2.5
181.12346	2.2
189.09357	0.8
191.10791	1.1
195.13910	7.6
197.11867	2.0
207.10252	25.5
208.10579	2.2
209.11823	100.0
210.12158	6.7
211.13370	3.7
221.06680	2.4
223.09828	0.9
223.13272	1.4
225.11302	17.5
226.11559	1.3
227.12904	14.2
228.13155	0.8
235.08226	7.5
247.20633	2.7
253.09319	1.0
263.07520	1.3
273.18735	1.8
275.20206	2.6
287.07751	1.3
288.68442	0.8
291.19662	86.2
292.19931	7.5
293.21222	24.1
294.21582	1.9
305.08743	1.7
307.19110	1.1
309.20728	2.3
323.09976	1.1
329.21494	1.2
333.20792	1.0
379.12445	4.3
397.13504	42.9
398.13889	3.2
415.14548	15.1
416.14920	1.1
578.90796	0.8
597.64880	0.9
605.24689	2.0
623.25421	3.4
671.32770	2.1
689.33337	4.4
849.53589	0.9
881.44971	2.3
882.44025	1.0
899.46661	11.9
900.46857	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	898.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	16.4
80.96504	61.2
83.05020	14.7
94.98103	14.6
97.02948	19.7
98.20625	50.1
101.02438	12.5
115.30129	12.6
122.97549	14.6
125.02377	16.7
130.10149	12.9
147.30241	14.7
175.02394	17.7
194.58647	14.4
207.10275	15.7
209.11823	36.4
225.00732	28.2
225.11360	23.2
253.09344	26.1
255.23376	32.1
277.21619	33.1
289.18140	15.9
289.54349	15.8
293.21075	24.7
309.20544	24.8
311.21872	21.1
332.62039	14.3
397.13132	24.4
437.90057	17.0
454.51648	14.3
492.02182	14.0
574.84705	14.4
611.02570	13.9
898.48077	23.6
899.45221	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	898.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98511	35.1
71.01391	100.0
71.26912	29.4
71.27242	19.6
85.07275	18.8
101.02468	38.1
109.06632	23.2
112.34651	22.2
171.10243	58.4
192.62469	24.1
207.10310	45.0
223.82310	22.5
225.11336	48.7
255.23338	59.3
256.23718	32.5
277.21674	35.4
285.61478	23.1
344.89548	25.9
397.13602	23.7
512.74261	21.8
534.57910	21.8
604.96161	24.7
899.45538	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	100.0
78.91215	9.9
78.95918	18.3
80.96517	25.2
83.07091	11.2
87.00881	10.9
89.02441	25.9
101.02451	24.5
109.06542	11.3
113.02451	14.4
125.02412	18.8
135.76518	10.1
171.10294	67.5
172.10590	14.3
195.13881	21.9
201.11368	15.6
207.10266	19.1
209.11946	14.6
225.00771	11.8
225.11438	22.5
227.36356	12.6
235.08142	13.2
255.23318	49.5
256.23608	25.8
277.21631	23.4
293.21216	13.8
309.20612	25.7
310.21103	14.0
397.13544	32.7
398.13699	18.9
429.74686	13.7
663.27472	13.3
898.48969	83.9
899.46796	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	898.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98526	15.7
68.99556	27.4
71.01390	88.0
71.50668	12.2
72.01714	14.9
72.99312	16.5
78.95909	22.8
81.03466	14.9
87.00900	15.8
88.98807	93.7
89.02446	42.6
96.96011	54.9
97.02986	14.3
99.00844	17.7
101.02466	39.3
102.65804	11.7
105.01967	15.8
109.06571	25.7
123.79763	12.4
125.02411	35.5
128.03502	30.0
135.08174	14.0
165.12834	13.8
169.01479	32.6
171.10242	41.2
181.12453	16.0
207.10243	42.3
209.11829	100.0
210.38637	12.8
211.13358	80.2
225.11235	40.3
227.12863	18.8
239.64771	11.3
272.50717	13.6
289.18149	22.6
291.19757	58.7
293.21252	28.7
306.07687	21.3
309.20673	34.2
397.13632	68.5
415.14560	26.1
760.83020	13.6
820.38580	14.0
880.45587	16.8
898.44299	37.9
899.45282	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	898.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98529	12.2
67.01550	7.2
71.01377	100.0
72.01722	10.7
75.00868	29.1
78.51086	6.3
80.96522	12.3
85.02928	11.8
87.00865	9.0
89.02431	27.3
97.02961	11.5
99.00880	10.5
99.23760	7.7
100.41131	7.4
101.02434	26.2
113.02405	11.6
119.03471	9.3
125.02459	11.8
143.03482	8.8
156.14070	7.8
163.11302	10.6
171.10286	54.7
177.62070	7.4
195.14090	7.0
197.11856	16.6
201.11266	12.1
207.10194	12.8
209.11858	11.3
221.11757	27.7
225.11227	15.6
235.08194	11.0
239.12856	15.1
255.23315	47.3
256.23477	22.9
277.21585	25.5
291.19574	12.2
293.21201	13.6
309.20624	22.1
310.20987	13.4
326.03867	7.5
344.39847	8.1
397.13571	49.9
398.13742	23.1
898.48145	27.5
899.45807	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	898.392
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98537	8.9
71.01389	77.2
71.15179	9.4
78.95145	7.5
78.95882	21.4
87.08115	9.3
88.98782	30.1
89.02442	22.5
95.44090	9.4
96.96024	87.5
96.96944	17.1
98.19841	15.5
99.00907	8.1
101.02462	28.5
109.06588	11.1
113.02425	24.4
114.02816	9.6
116.92907	8.8
125.02412	28.5
163.11298	16.0
169.01393	14.9
171.10229	14.2
179.05534	10.2
189.42776	8.5
197.11685	12.8
207.10262	42.5
209.11826	100.0
210.12253	19.3
211.13373	52.5
211.18764	8.9
225.11349	33.4
227.12894	12.8
289.18063	49.8
291.19522	26.4
293.21280	19.0
307.19165	22.4
308.19464	10.8
309.20142	11.0
397.13525	51.0
398.13754	11.0
415.14487	10.9
494.39932	10.4
520.58130	10.7
880.45544	11.3
898.44531	19.1
899.45654	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	898.393
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98532	26.4
69.23969	40.8
69.24393	83.9
71.01403	24.7
77.99100	12.1
78.40944	13.5
87.00870	13.4
93.40757	14.5
99.00884	23.1
102.58225	13.4
123.82430	14.4
125.02450	28.4
129.01956	23.7
169.01430	50.5
187.60770	14.2
209.11815	100.0
210.12224	17.3
214.90570	12.7
220.57292	15.5
227.12842	16.5
274.55920	14.5
291.70230	14.6
301.00241	17.3
344.51929	15.0
397.13797	17.5
519.64471	16.1
606.00531	13.9
747.84613	18.2
898.39404	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	897.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84043	0.8
65.09795	0.8
70.00717	4.2
71.01384	100.0
72.01717	1.2
72.99328	2.7
73.02957	4.0
75.00886	4.6
78.95889	1.3
80.96550	1.3
81.03471	2.0
83.01392	3.0
85.02952	6.3
86.25108	0.8
87.00884	7.4
89.02451	18.4
95.01365	1.9
95.05020	0.9
97.02959	5.5
99.00890	3.5
101.02446	18.8
109.06571	5.0
111.04530	1.4
113.02469	9.8
115.00366	0.9
119.03488	5.3
125.02435	9.6
125.09732	3.0
127.11277	1.7
137.09662	0.8
139.04048	1.2
142.02837	0.8
143.03549	4.1
149.04529	0.9
161.04521	4.1
163.11340	3.9
163.84979	0.8
169.01469	1.2
171.10278	50.3
172.10620	2.5
175.02553	1.5
177.12793	1.0
179.05626	3.0
181.08737	1.1
181.12325	1.9
199.09776	9.9
199.13510	1.0
201.11320	11.2
207.10286	16.2
209.11887	1.6
211.57214	0.8
215.12825	2.0
221.06699	2.8
221.11815	9.0
225.11313	11.8
226.11446	0.9
235.08249	6.1
239.12915	5.1
243.12436	1.2
253.09341	1.1
255.23291	66.1
256.23593	7.7
277.21790	5.8
287.07687	1.7
287.36368	0.9
290.37149	0.9
293.21280	1.8
305.08807	2.1
309.20871	1.2
379.12384	5.3
397.13522	42.0
398.13791	4.9
415.14496	9.7
416.14771	1.3
623.25702	1.8
835.47339	2.2
836.47913	1.2
861.48096	8.1
862.49182	2.6
879.48755	1.2
897.50226	16.0
898.49615	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	897.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	100.0
71.50626	3.5
71.51005	2.7
72.99307	4.7
73.02944	4.4
73.83947	1.8
78.95902	2.7
83.01378	3.9
83.04996	2.8
85.02940	6.7
87.00865	8.1
89.02441	23.8
90.02010	2.1
93.36641	1.9
94.63347	1.9
95.01409	2.1
97.02928	5.9
99.00878	5.1
99.61063	1.9
101.02457	19.1
103.18106	2.2
109.06566	7.0
113.02435	10.0
119.03495	7.7
125.02416	9.5
125.09701	2.9
126.63047	1.8
127.11291	2.9
141.01714	8.6
143.03493	3.6
161.04520	3.5
163.11282	3.3
171.10266	50.0
172.10522	2.9
174.68535	2.0
179.05553	5.7
181.12309	6.8
199.09694	12.7
201.11279	16.1
207.10226	21.4
209.11771	3.1
225.11313	14.1
235.08215	6.7
255.23274	77.2
256.23682	6.3
266.01019	2.1
277.21780	3.6
287.07690	3.7
305.08694	2.7
335.98099	1.8
379.12296	5.4
397.13449	46.8
398.13818	3.8
415.14749	10.1
547.97797	2.0
619.26453	2.7
623.24268	2.0
835.47028	2.8
861.47937	14.0
862.48578	5.6
879.49805	3.8
897.50641	18.8
898.50665	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	897.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	2.2
71.01383	15.8
71.50446	0.7
72.99302	1.7
73.02940	2.3
75.00909	0.5
78.95897	0.5
81.03451	1.0
83.01392	1.5
83.05024	0.8
85.02951	3.4
85.06576	0.6
87.00877	3.8
87.90045	0.5
89.02445	13.5
95.01396	1.3
95.05018	1.0
97.02953	1.8
99.00917	0.6
101.02440	10.6
104.26566	0.4
109.06602	0.6
111.00879	0.8
111.08158	1.0
113.02449	6.4
119.03492	3.3
125.02428	5.4
125.09731	0.5
143.03496	1.4
149.04552	0.5
149.09720	0.4
161.04535	2.4
167.10835	3.7
169.01382	0.7
171.10277	0.8
177.12769	0.4
179.05609	4.0
179.10765	1.1
179.14424	3.5
195.13899	14.8
196.14368	0.9
205.12326	7.2
209.11818	1.6
211.13440	1.0
216.58141	0.6
221.06705	1.5
223.13390	70.3
224.13757	4.6
225.14934	0.8
235.08250	4.4
253.09300	0.8
256.13284	0.7
265.21988	0.7
275.20184	5.3
287.07718	1.0
289.18088	0.7
291.19580	0.6
293.21228	100.0
294.21506	8.9
305.08707	1.6
309.20667	0.5
317.21341	0.5
323.09766	1.3
379.12628	2.7
382.01999	0.6
397.13531	33.0
398.13947	2.5
415.14606	12.3
416.14828	1.0
457.16592	0.5
603.26581	3.2
604.27039	0.6
621.27667	8.8
622.27979	1.6
673.34308	0.9
691.35278	1.9
701.61041	0.5
748.91974	0.6
897.48322	1.1
898.46869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4615
Annotation	Unknow
Peak:m/z	Relative Intensity
68.46398	2.8
71.01373	16.4
71.19123	3.2
75.11564	2.9
78.95896	8.2
80.96520	5.6
83.04993	3.1
85.01940	3.7
85.02947	3.7
87.00884	5.1
88.98830	18.7
89.02432	17.1
95.01385	3.8
96.97007	3.1
97.02939	7.3
101.02409	17.0
109.06574	18.4
113.02415	9.7
119.03500	6.2
123.00970	3.3
124.28130	2.9
125.02407	8.7
125.59906	2.8
152.99568	3.4
161.04596	5.4
163.11243	10.9
172.24271	3.0
176.49843	3.1
179.05655	6.2
181.12294	4.1
191.49101	3.1
207.10248	84.3
208.10547	6.1
209.11716	4.0
225.11334	34.3
226.11559	5.1
235.08224	7.3
255.23277	63.8
256.23569	5.5
277.21674	4.0
287.07321	3.2
302.07974	3.5
305.08911	3.5
323.10010	3.4
379.12408	13.9
397.13486	85.7
398.13806	4.0
415.14572	16.7
605.24597	8.6
623.25018	4.1
635.36493	4.0
653.37524	13.7
716.89398	4.0
843.47241	8.1
861.48492	100.0
862.48615	30.7
897.46661	41.6
898.46564	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	897.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35900	1.9
67.80336	1.8
69.03458	4.0
69.61694	6.1
69.62105	5.1
71.01381	51.2
72.99297	4.3
73.02926	7.2
75.00869	1.8
75.13364	1.5
75.49303	1.7
78.95894	2.1
81.03450	3.4
83.01392	5.7
83.05019	2.8
84.02151	2.7
85.02974	9.7
87.00858	9.0
88.98799	15.9
89.02439	25.8
89.56969	2.0
95.01351	3.9
95.05055	2.6
96.95984	2.8
97.02946	7.8
99.00879	2.5
101.02455	21.4
105.41799	1.6
109.06595	4.5
113.01760	2.6
113.02437	13.8
119.03452	5.5
125.02456	17.2
125.09711	5.6
127.11308	2.7
135.08215	2.4
143.03526	4.5
145.10123	2.3
152.40898	1.8
161.04507	4.7
163.11234	11.1
165.12770	3.3
169.01405	11.3
171.10240	34.5
171.71979	1.7
179.05551	7.5
179.10712	1.8
181.12343	2.6
191.05583	4.5
191.10666	3.4
197.11751	5.7
201.11314	29.1
207.10263	26.3
208.10614	2.7
209.11813	42.6
210.12135	3.5
211.13391	4.7
221.06711	2.4
225.11325	41.5
226.11650	3.7
227.12859	6.8
235.08167	9.0
239.12862	18.1
243.12341	2.3
248.20290	1.8
253.09335	2.6
263.07623	2.0
271.15775	2.1
271.22470	1.7
273.17047	100.0
274.17361	5.7
287.07730	1.9
297.44479	2.3
374.50793	1.7
379.12531	5.0
397.13446	41.1
398.14099	2.8
415.14630	17.6
439.14877	3.8
468.54648	1.8
469.05383	4.4
605.24384	4.1
608.29718	2.4
623.25903	4.2
671.31726	2.9
879.41730	6.2
897.43927	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	897.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	17.2
71.50356	6.5
78.79456	5.1
78.95916	11.1
80.96508	9.4
88.98819	9.7
89.02430	15.4
99.00918	6.0
101.02444	9.7
109.06584	13.6
113.02424	8.3
125.02443	5.5
163.11284	10.8
179.05669	5.6
181.12392	5.8
207.10246	58.2
209.11836	9.6
225.11336	46.8
243.12390	10.1
255.23314	52.1
379.12210	8.0
397.13580	36.7
398.14252	6.8
415.14603	13.3
601.25488	7.7
605.24231	13.6
623.24963	9.7
653.37610	9.5
656.78174	7.0
861.48364	100.0
862.48212	27.3
897.46478	76.5
898.47229	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	896.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97682	38.5
71.01369	79.0
71.50115	44.5
85.09821	38.9
89.02428	50.6
158.16293	34.2
171.10339	44.6
201.11343	50.4
206.37920	34.3
207.10344	35.9
209.11803	98.3
255.23259	87.4
289.18155	51.4
290.18555	43.7
291.19321	48.7
307.19110	46.3
308.19388	57.4
309.20486	57.7
397.13531	100.0
450.74374	45.4
694.36029	41.6
846.20923	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.465
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98544	32.5
64.21213	12.9
69.59879	100.0
71.01381	47.8
78.95910	23.5
87.00901	20.1
89.02434	22.0
89.18362	15.3
99.00875	17.3
101.02428	43.0
125.02416	20.2
129.01953	21.7
130.98026	19.4
135.26993	15.6
166.26619	15.2
169.01431	26.4
171.10269	24.0
181.01305	14.4
197.11873	35.4
209.11896	42.6
221.11659	16.8
225.95273	16.8
229.56725	15.5
253.09241	21.8
255.23291	19.3
277.21628	22.4
281.67401	16.9
289.18021	43.3
290.18478	56.7
291.19073	21.4
307.19128	69.3
308.19540	53.1
309.20572	58.3
342.89606	15.1
383.86206	16.2
397.13702	26.1
415.14407	15.9
452.10315	23.5
784.08429	18.7
888.90143	23.4
889.46155	18.3
896.49609	23.7
897.47565	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
70.81252	1.4
70.81587	2.5
71.01376	3.4
71.02504	3.4
72.00908	3.8
73.04063	1.8
74.02472	13.6
75.00867	4.1
82.02978	2.7
85.02939	1.7
85.04071	4.7
87.00878	2.0
87.05641	5.8
88.04041	1.5
88.98802	1.4
96.55743	1.0
97.00394	1.3
97.02913	1.6
98.01237	1.9
98.02478	2.1
99.01986	3.0
99.05659	4.0
101.07197	4.8
109.04057	1.5
111.05705	1.2
112.02776	1.4
112.04047	1.7
113.03583	7.8
113.07235	2.1
115.00391	1.6
115.05124	1.2
115.08779	16.8
116.05070	29.6
118.06622	2.2
125.02466	2.4
125.03579	3.5
125.07225	7.6
126.09190	1.1
127.05125	7.2
127.08743	3.2
128.66492	1.2
129.01941	12.3
129.10393	1.2
130.06560	1.9
131.05040	1.1
132.57617	1.0
135.02989	10.5
137.07208	3.4
139.05121	2.9
139.08765	3.1
140.06145	1.1
141.06702	16.2
142.06592	6.9
143.08240	1.9
145.06215	9.4
146.06113	1.6
152.08340	1.9
153.06714	13.3
154.09889	2.6
155.08275	10.7
156.08046	1.3
157.07706	1.5
159.09256	8.6
167.08150	1.2
169.01407	2.7
170.08037	0.8
170.09355	21.2
172.07681	2.8
172.10909	5.8
174.09189	1.8
175.02444	2.9
179.04640	3.1
181.09779	1.8
186.05562	1.4
197.11852	1.5
198.08824	2.6
200.07176	5.6
203.08244	25.8
207.07704	1.3
209.11794	4.4
217.09813	10.4
217.39139	1.1
226.15602	2.6
230.12886	1.4
231.11372	4.3
240.17178	3.2
243.11406	1.9
248.14101	1.2
255.15074	1.4
274.12106	5.6
274.15634	1.0
275.10141	1.4
281.12643	5.3
283.17725	2.1
319.17651	4.3
327.18256	1.5
337.18787	8.1
360.17087	9.3
404.16177	1.7
424.42386	1.1
446.20535	1.6
491.26239	4.1
546.23669	2.5
558.23657	4.3
563.73761	1.1
575.26105	13.7
576.26025	2.3
577.27594	2.3
688.34723	19.8
688.45886	1.1
689.34772	4.5
715.33502	2.4
896.43152	100.0
897.43463	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	34.5
71.52327	21.5
77.24476	12.0
78.74532	14.7
85.02955	12.3
86.45405	11.5
87.00871	12.2
88.98828	68.0
89.02437	25.7
101.02441	11.8
112.98799	16.6
113.02603	12.0
121.02989	21.7
125.02460	56.7
128.37283	13.7
129.02000	16.9
135.03017	21.0
169.01428	60.2
191.03505	21.2
191.05719	13.6
197.11813	13.7
207.10231	11.9
209.11836	100.0
209.29984	14.6
211.13327	17.2
227.12979	17.2
300.99808	14.8
349.94534	12.8
395.15726	13.4
469.05466	16.5
875.49603	14.0
897.43494	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	895.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	20.8
73.02916	4.7
75.00865	6.5
75.51604	4.1
78.95913	8.6
85.02924	6.5
85.14638	4.9
87.00854	21.9
89.02431	11.5
92.27194	4.8
97.06584	11.5
99.12664	4.6
101.02435	11.0
111.08149	17.6
112.31134	4.4
113.02488	5.1
125.02400	6.1
139.38843	4.6
143.02580	4.5
151.11279	8.6
153.12775	5.6
155.10780	6.4
165.12834	12.6
169.12302	12.3
171.10300	9.7
181.12318	10.1
183.13914	7.9
191.10692	6.3
197.11832	70.3
209.11801	35.9
211.13335	8.5
219.58467	5.2
223.09766	4.6
225.37425	4.7
227.12875	18.1
235.08134	9.4
236.73785	5.2
245.18996	9.9
249.17586	4.4
253.09250	20.0
255.23283	13.3
263.20087	24.6
279.19687	7.8
289.18091	20.2
290.18658	5.5
291.19592	20.8
307.19095	84.0
308.19473	15.8
309.20724	100.0
310.21164	6.8
397.13101	7.2
445.20633	18.4
543.28400	29.0
593.05652	5.3
895.49249	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	895.5276
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.6
71.01382	16.7
72.99299	4.2
78.95910	2.0
80.96520	1.8
81.03458	2.0
83.05012	3.7
85.02950	3.7
87.00874	4.8
88.98801	12.5
89.02007	1.7
89.02451	18.3
89.57184	1.8
94.43551	1.7
95.01359	1.5
101.02454	13.7
113.02436	10.7
114.12925	1.3
119.03519	2.5
125.02434	5.5
128.76834	1.8
135.65584	1.4
143.03450	2.2
154.73048	1.8
161.04550	3.3
163.11232	3.4
171.10262	1.7
179.05577	3.4
209.11823	100.0
210.12196	3.2
221.06648	1.9
227.12878	13.0
228.13248	1.5
235.08173	4.9
237.14902	2.0
247.53792	1.4
255.23270	53.2
256.23636	3.9
259.15445	2.1
261.06952	1.4
277.21469	1.9
287.07651	2.7
379.12381	10.5
380.12106	1.9
397.13507	48.4
398.13745	3.0
415.14618	9.9
415.70413	1.7
454.24814	1.7
653.37378	3.2
895.48285	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	895.418
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62516	1.4
65.96687	1.6
68.79411	1.5
69.03432	2.8
71.01381	100.0
72.99297	3.0
73.02944	6.0
75.00848	2.7
81.03426	2.3
83.01405	2.2
83.05022	3.5
85.02947	6.5
87.00877	5.2
88.27205	1.8
88.98800	29.2
89.02443	20.7
95.01382	2.5
97.02929	9.0
99.00876	3.9
101.02436	16.0
109.06586	16.1
110.03716	2.0
113.02463	8.3
119.03471	4.1
125.02459	11.4
125.09732	2.3
135.08224	2.1
135.16554	1.7
140.57265	1.8
141.01903	3.3
143.03513	2.4
157.36247	1.9
160.97157	2.0
161.04605	3.0
163.11261	15.0
169.01433	4.3
169.10641	1.9
171.10229	11.1
179.05609	5.8
179.82196	2.1
180.10989	1.7
181.12337	7.1
183.13889	6.5
185.11714	1.8
193.12218	3.6
199.09814	2.2
199.13388	2.9
201.11313	6.3
207.10243	45.2
208.10570	3.0
209.11823	15.1
211.13379	65.7
212.13672	5.2
215.12648	1.7
216.24100	1.7
221.06689	2.7
225.11290	36.3
227.12755	8.1
235.08128	4.7
236.18268	2.0
243.12273	2.4
307.68158	1.6
379.12564	2.7
383.22336	1.9
391.24982	2.5
397.13483	29.5
398.13904	4.0
401.23160	5.9
415.14365	8.4
419.24515	4.2
537.37634	2.0
559.14117	1.9
605.24329	4.7
609.27350	3.9
623.26111	8.7
701.45618	2.2
771.37653	2.8
772.36816	2.5
799.37823	9.1
800.37714	2.5
817.38635	24.9
818.38483	10.4
895.43146	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	895.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	20.8
73.02916	4.7
75.00865	6.5
75.51604	4.1
78.95913	8.6
85.02924	6.5
85.14638	4.9
87.00854	21.9
89.02431	11.5
92.27194	4.8
97.06584	11.5
99.12664	4.6
101.02435	11.0
111.08149	17.6
112.31134	4.4
113.02488	5.1
125.02400	6.1
139.38843	4.6
143.02580	4.5
151.11279	8.6
153.12775	5.6
155.10780	6.4
165.12834	12.6
169.12302	12.3
171.10300	9.7
181.12318	10.1
183.13914	7.9
191.10692	6.3
197.11832	70.3
209.11801	35.9
211.13335	8.5
219.58467	5.2
223.09766	4.6
225.37425	4.7
227.12875	18.1
235.08134	9.4
236.73785	5.2
245.18996	9.9
249.17586	4.4
253.09250	20.0
255.23283	13.3
263.20087	24.6
279.19687	7.8
289.18091	20.2
290.18658	5.5
291.19592	20.8
307.19095	84.0
308.19473	15.8
309.20724	100.0
310.21164	6.8
397.13101	7.2
445.20633	18.4
543.28400	29.0
593.05652	5.3
895.49249	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	893.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	12.7
71.49936	3.0
77.42992	2.7
80.96511	2.4
81.03448	3.3
83.01393	4.1
83.05047	3.7
85.02930	5.0
87.00880	2.9
89.02443	4.8
97.06619	11.5
101.02455	8.8
113.02428	3.4
115.81725	2.1
121.06603	3.3
123.04462	2.8
123.08189	2.7
125.02460	2.7
125.09734	8.1
129.01953	8.6
135.02991	2.7
151.11282	5.8
161.04509	2.7
163.11276	9.6
165.12837	10.8
167.10742	3.4
171.10217	4.0
179.10799	4.0
181.12337	7.3
185.11896	5.2
191.10831	6.2
191.14383	7.9
207.10233	4.0
209.11862	42.3
210.12128	2.6
211.13461	6.3
225.11331	4.2
227.12849	6.4
235.08185	5.6
245.19138	21.1
250.35100	2.4
253.09233	11.5
255.23427	3.2
263.20123	17.8
267.02704	2.6
271.17093	3.7
289.18103	70.0
290.18320	5.4
307.19147	100.0
308.19513	9.9
319.50677	2.4
333.80661	2.4
397.13474	3.4
445.20715	8.8
543.28748	12.3
543.35669	2.3
735.39685	4.5
791.72894	2.5
833.46295	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	893.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	22.6
72.97143	1.4
72.99312	2.8
73.02948	4.0
76.71446	1.6
78.80759	1.4
78.95870	2.0
80.96528	2.3
83.01379	2.1
85.02956	4.6
87.00880	5.5
88.98815	6.4
89.02439	17.3
90.34734	1.4
95.01382	2.0
97.02940	3.5
98.20638	4.6
101.02436	13.1
113.02459	6.5
119.03526	2.6
125.02432	6.6
127.11281	2.0
143.03430	2.8
153.09163	1.6
161.04602	2.5
171.10266	100.0
172.10590	5.3
172.32961	1.4
179.05579	3.1
197.11826	3.0
209.11830	1.5
217.07225	1.6
225.11182	1.8
235.08139	5.8
276.64078	1.6
277.21725	3.2
281.24835	79.1
282.25217	5.6
305.08731	2.4
374.63235	1.5
379.12427	20.3
397.13474	47.2
398.13696	3.7
415.14523	6.7
551.23254	3.2
661.38251	1.8
679.39203	4.4
893.49231	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	895.418
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	100.0
72.99313	3.2
73.02945	4.1
75.00864	1.9
78.95889	2.5
81.03455	4.2
82.31860	1.4
83.01394	1.6
83.05043	2.1
84.76405	1.5
85.02943	6.9
87.00870	6.2
88.98801	19.7
89.02439	15.3
90.99230	1.6
95.01357	3.0
97.02965	7.1
98.20670	3.6
99.00878	3.8
101.02451	15.9
104.08914	1.3
105.01942	2.0
109.06595	16.8
113.02460	9.9
119.03503	5.3
123.00891	2.5
125.02448	10.6
125.09747	1.4
135.08191	3.0
141.01808	2.7
142.02716	1.9
143.03477	3.6
161.04585	3.5
163.11284	11.5
165.12784	1.4
166.23013	1.4
166.99861	2.2
169.01433	5.5
171.10300	6.2
171.97421	1.4
179.05627	5.4
181.12314	3.9
183.13930	8.6
199.13383	3.3
201.11295	5.2
207.10246	46.0
208.10614	3.3
209.11842	11.8
211.13371	79.4
212.13745	5.5
221.06676	2.7
225.11307	30.7
227.12837	8.4
235.08279	5.1
305.08588	1.9
379.12381	2.5
383.22217	2.4
391.24963	3.6
397.13501	30.0
398.13626	2.7
401.23187	5.4
415.14560	10.4
419.24371	4.6
469.05423	1.5
579.14514	1.6
605.24512	4.2
609.27704	2.0
623.25543	5.4
750.71881	1.6
799.37079	10.5
800.38983	2.3
817.38776	22.8
818.39508	8.4
835.39893	4.1
836.40057	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	892.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
66.61765	10.3
66.91284	9.8
71.01373	28.3
77.73889	9.8
89.02442	13.0
116.92778	12.8
124.10688	11.2
125.02402	16.6
126.14919	10.7
142.28738	10.5
171.10269	100.0
172.10593	48.5
173.10759	19.4
209.11768	20.5
211.09773	11.7
277.21649	39.3
278.22067	45.2
397.13376	18.8
398.13614	20.2
399.13748	20.2
400.14542	13.2
415.14804	16.1
715.29059	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	893.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79364	0.6
64.48471	0.6
65.16041	0.6
69.03445	1.6
71.01383	7.1
72.99343	0.7
73.02937	1.6
74.19437	0.6
81.03452	2.6
83.01384	3.1
83.05023	1.9
85.02939	1.9
87.00882	1.3
89.02439	4.3
91.76300	0.6
95.01379	0.7
95.05014	2.2
97.02933	2.4
97.06608	5.1
98.20715	1.2
99.00855	1.3
101.02430	6.4
106.04251	1.0
109.06536	1.1
113.02451	3.7
119.03471	0.8
121.06622	1.3
123.04530	3.0
123.08154	2.5
125.02466	1.5
125.06113	1.0
125.09717	7.3
135.08170	2.4
136.05255	0.9
136.07056	0.7
137.09711	4.0
141.12830	1.6
143.03610	0.8
149.09668	0.9
151.11272	1.3
161.04546	2.5
161.09679	0.7
162.10521	0.8
163.11269	9.8
164.08395	0.7
165.12823	1.5
169.01479	1.1
171.10280	2.9
177.12759	0.9
179.10716	1.5
181.12367	1.8
185.11816	11.5
186.12143	0.7
187.09703	0.9
191.10777	1.3
191.14420	11.4
207.10249	4.9
209.11813	23.0
210.12189	1.5
211.13428	2.1
217.16003	1.1
225.11302	4.7
227.12872	1.1
229.51259	0.8
235.08188	3.1
237.11259	5.8
243.17444	1.0
245.19069	20.6
246.19505	1.2
253.09271	15.0
255.23199	1.1
263.20145	6.2
269.24841	0.8
271.17087	4.0
281.24762	1.6
286.58044	0.7
287.16544	1.1
289.18085	100.0
290.18460	8.0
291.19583	0.9
305.17508	0.8
307.19131	83.0
308.19525	7.5
309.20786	1.6
331.19131	1.2
382.36667	0.8
397.13580	1.3
481.30194	0.8
525.27087	1.0
543.28015	2.4
545.23828	0.9
597.37488	1.2
641.48584	0.8
707.35907	0.8
717.38354	1.6
833.46906	0.7
893.51154	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	889.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	7.1
69.03461	1.2
69.70931	1.9
69.71335	0.8
71.01382	14.7
72.99306	1.7
73.02941	1.5
78.95894	0.5
80.02674	0.8
80.96517	0.7
81.03454	2.0
83.01392	1.9
83.05012	5.4
84.02164	1.1
85.02940	2.7
86.43952	0.4
87.00873	3.4
89.02447	12.7
95.01377	0.9
95.05023	1.3
97.02947	2.1
98.19407	0.5
99.00880	0.9
99.04561	0.6
99.92627	0.5
101.02444	10.9
109.02976	0.7
109.06566	0.9
113.02449	6.7
115.04010	0.6
116.92870	5.5
117.01894	0.5
119.03507	3.0
121.02948	0.6
125.02441	5.0
125.06094	0.9
125.09690	0.9
131.03503	0.8
139.03947	0.7
141.01907	0.6
143.03494	2.3
161.04536	3.3
162.61467	0.6
163.11264	4.5
165.12811	2.5
179.05594	3.3
191.10683	0.9
207.10237	1.0
209.11818	100.0
210.12183	5.8
217.07124	0.8
221.06635	1.3
227.12869	13.0
228.13159	0.7
235.08215	5.2
251.12962	0.9
253.09352	0.8
259.07916	0.7
281.24841	51.4
282.25287	4.4
287.07776	0.9
305.08795	1.5
323.09842	0.8
379.12384	7.5
397.13507	33.7
398.13956	2.6
415.14551	7.6
416.14856	1.0
589.25079	1.0
607.25964	1.3
889.50452	2.4
921.90692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	1.1
71.01383	18.4
72.99313	1.2
73.02952	2.2
78.95901	1.5
79.11948	0.6
80.02663	1.2
80.96506	0.7
81.03453	2.2
83.01385	1.8
83.05032	5.0
84.02160	0.9
85.02955	4.4
87.00877	3.7
89.02447	15.2
91.04002	0.8
92.34243	0.6
95.01395	1.3
95.04999	0.6
97.02958	3.5
99.00852	1.2
101.02439	11.8
111.00889	0.7
113.02448	7.4
119.03500	3.1
125.02454	5.8
125.06060	0.9
131.03503	0.7
135.08118	0.8
143.03500	2.8
161.04520	2.8
163.11293	4.0
165.12846	2.2
167.03464	0.7
179.05611	3.6
191.10797	0.8
209.11816	100.0
210.12167	5.3
217.07187	0.6
218.94203	0.6
221.06735	1.2
227.12878	11.7
228.13187	0.7
229.49181	0.8
235.08139	5.4
253.09302	0.7
277.21555	0.7
283.26407	58.3
284.26797	5.3
287.07700	1.7
297.27808	0.7
305.08762	1.5
323.09949	1.2
379.12418	6.3
397.13498	38.8
398.13861	2.6
415.14514	8.2
416.14923	0.6
607.25861	1.1
681.40936	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	892.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98534	19.2
71.01381	47.0
74.72649	13.0
79.63778	12.2
89.02445	19.6
98.20773	28.5
101.02414	25.0
116.92846	15.1
125.02487	15.2
171.10272	100.0
172.10619	34.2
180.16405	12.7
181.12456	16.0
209.11751	15.5
216.03925	12.0
229.19824	14.0
255.23317	15.9
256.15543	41.5
259.83035	13.4
277.21689	49.2
278.22131	60.4
279.22333	25.9
397.13553	20.2
398.13690	27.6
399.14154	19.9
685.50757	16.7
703.01031	16.1
728.81134	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	889.517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	2.2
65.36043	0.3
69.03452	0.8
69.83296	0.5
69.83651	1.4
71.01382	16.1
72.98945	0.3
72.99307	1.4
73.02943	2.9
78.55990	0.2
80.02678	1.1
80.96535	0.5
81.03450	2.2
83.01379	2.0
83.05022	4.9
84.02171	0.7
85.02948	3.3
87.00868	4.4
88.20901	0.3
89.02446	13.1
93.03452	0.3
95.01385	1.6
95.05030	0.6
97.02937	2.8
99.00895	0.7
99.04466	0.3
101.02439	12.8
102.02747	0.3
102.16186	0.3
103.00381	0.3
109.06557	0.6
111.00857	0.3
111.04491	0.6
113.02448	7.6
113.20659	0.3
119.03510	3.4
123.00859	0.4
125.02448	6.1
125.06073	0.3
127.03996	0.3
128.87062	0.3
131.03494	0.7
133.05063	0.4
135.08199	0.6
139.04021	0.6
141.01938	0.5
143.03516	2.3
149.04564	0.4
161.04544	3.0
163.11279	4.1
164.11636	0.3
165.12842	2.4
167.03441	0.6
171.10297	0.3
179.05605	3.9
181.12352	0.9
191.10767	1.0
199.06133	0.3
202.24780	0.3
207.10149	0.6
209.11816	100.0
210.12175	5.1
217.07111	0.8
221.06657	1.1
225.11313	0.6
227.12881	11.7
228.13097	0.8
235.08218	5.1
245.06683	0.4
253.09305	0.8
259.08191	0.6
263.07617	0.5
281.24841	61.6
282.25204	5.3
287.07712	2.2
295.26346	0.6
305.08710	2.0
323.09808	1.2
327.28796	0.3
379.12436	7.1
397.13483	38.9
398.13834	3.0
415.14532	9.2
416.14789	0.8
607.25952	0.8
661.38367	0.5
679.39032	1.0
746.20966	0.4
796.50201	0.3
889.50757	2.1
890.50366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	4.7
64.77345	0.7
69.02888	0.6
69.03439	1.4
71.01005	1.4
71.01386	18.9
71.50353	1.2
72.99314	1.4
73.02952	3.1
81.03438	0.8
83.01395	2.2
83.05037	1.0
85.02953	4.6
87.00890	4.2
87.04941	0.7
89.02450	13.0
95.01394	1.6
97.02990	3.5
99.00891	1.0
99.92597	1.2
100.84769	0.6
101.02448	14.4
109.02916	0.9
113.02457	8.1
116.27136	0.7
116.92854	4.1
119.03515	3.5
125.02440	8.0
125.09716	1.9
127.11301	1.4
143.03497	3.2
152.09523	0.8
155.79572	0.8
161.04568	4.1
163.11211	1.0
171.10275	100.0
172.10629	3.3
179.05733	3.8
209.11827	10.1
210.12207	1.5
221.06728	1.6
227.12906	1.2
235.08186	5.5
253.09296	1.5
259.08252	1.3
277.21725	55.5
278.22128	4.9
279.23242	1.2
280.41422	0.7
281.24805	3.6
287.07806	2.9
289.17950	3.8
290.18564	1.0
291.19662	1.3
305.08850	2.3
307.19153	4.0
323.09842	1.0
379.12479	14.4
380.12769	1.3
397.13495	41.8
398.13763	3.6
415.14566	9.1
551.23291	2.7
569.24335	4.5
675.36133	1.3
692.17639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	3.6
65.94400	0.3
68.99812	0.3
69.03452	1.2
71.01385	17.4
72.99289	1.0
73.02956	3.1
75.00854	0.3
80.02673	1.3
80.96493	0.5
81.03476	1.9
83.01386	2.2
83.04566	0.5
83.05029	5.7
84.02165	0.8
85.02955	4.0
87.00882	4.1
87.04487	0.4
89.02448	12.9
91.04011	0.3
93.03428	0.5
95.01392	1.1
95.05040	1.0
97.02957	2.9
98.58825	0.3
99.00877	1.1
99.92590	1.3
100.03546	0.3
101.02445	12.6
109.06606	0.3
111.04539	0.6
113.02458	6.4
115.04051	0.4
116.92864	9.5
117.01937	0.3
117.92873	0.4
119.03507	3.5
121.02966	0.6
124.69871	0.3
125.02455	5.9
125.06106	0.5
127.03925	0.3
131.03497	0.5
133.05061	0.6
134.50781	0.3
135.08096	0.6
139.03992	0.7
141.01904	0.4
143.03508	2.0
161.04555	3.3
163.11308	3.8
165.12827	2.5
167.03490	0.4
179.05592	3.4
181.12349	0.8
185.04411	0.4
191.10759	1.2
199.06143	0.5
207.10278	0.4
209.11829	100.0
210.12172	5.5
217.07236	0.8
217.19487	0.3
221.06525	1.3
227.12892	12.7
228.13144	0.6
235.08224	5.0
236.08524	0.3
245.06735	0.4
251.12987	0.3
253.09187	0.8
259.08231	0.5
281.24860	60.9
282.25241	5.2
287.07733	1.6
295.26370	0.7
305.08820	1.6
323.09760	0.8
361.11646	0.4
379.12463	7.5
380.12744	0.7
397.13522	40.5
398.13885	3.0
415.14587	8.3
415.18811	0.3
416.14835	0.6
589.24719	0.6
607.25366	0.6
608.27289	0.4
621.90930	0.3
679.39276	1.2
889.51093	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	889.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	8.2
65.00310	2.2
67.01891	1.5
68.99783	1.3
69.03447	1.7
71.01362	8.0
72.99308	3.0
73.02934	1.9
77.01070	1.3
83.01373	3.0
83.05027	3.5
85.02980	2.5
87.00872	4.6
89.02448	4.3
95.01387	3.8
96.96002	4.0
97.02950	2.1
99.00925	1.4
101.02460	3.1
107.01374	8.7
109.06601	1.8
110.00098	1.9
111.00888	13.7
113.02454	1.6
116.92873	6.9
121.02963	1.8
123.00895	16.6
124.01665	4.4
125.02452	50.9
127.00368	5.3
132.02980	1.6
136.98784	11.0
139.00383	16.7
140.01152	21.8
151.00351	7.9
161.04564	1.3
165.02061	1.5
166.99792	2.9
168.00642	19.6
169.01419	47.5
171.10237	4.1
176.42596	1.2
183.02979	25.1
184.03230	1.8
191.96216	1.3
197.11847	2.0
199.09669	2.2
201.11256	2.8
206.32884	1.5
207.10162	2.5
209.11853	26.3
210.12096	2.7
211.13472	7.1
225.11241	1.9
227.12880	5.2
253.09311	3.6
271.13345	2.4
281.18671	1.4
299.12927	1.7
317.13672	3.2
327.21704	5.5
335.15002	1.9
343.21280	3.7
361.12888	3.0
379.13864	2.6
393.15540	27.1
393.20697	2.2
394.15683	3.1
397.13708	2.7
411.16489	4.3
415.14554	1.5
469.05194	2.4
615.23358	1.9
647.25549	11.7
720.87878	1.4
773.36884	1.5
825.35657	4.2
857.38110	100.0
858.38611	21.4
889.40710	32.3
890.41553	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	889.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	15.2
61.99110	2.6
71.01373	7.2
72.37699	2.2
73.02950	3.3
87.96377	2.4
88.98800	13.1
89.02454	3.9
96.96014	4.0
99.92576	15.1
100.88225	2.2
101.02435	2.8
116.92863	100.0
117.01954	4.6
117.92871	8.5
120.59925	2.3
134.89432	3.2
169.01401	4.7
169.12444	4.0
171.10233	7.3
197.11784	6.0
199.09869	3.0
209.11812	7.1
211.13298	3.5
235.08116	5.4
253.09314	10.9
256.56085	2.2
273.00067	2.3
289.17999	11.5
291.88263	2.4
307.19077	16.1
309.20740	11.5
325.20142	7.8
327.21829	24.0
397.13467	3.2
508.66144	2.6
540.75092	2.2
552.15881	2.8
563.30780	2.6
755.43597	4.7
791.51678	2.2
853.48877	2.7
889.47424	20.1
890.47632	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	887.501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	20.4
63.99244	1.8
69.03444	1.1
71.01380	16.7
71.50404	0.7
71.50840	0.7
72.99323	1.5
73.02942	2.5
78.95913	2.8
79.95748	0.9
80.02652	0.8
80.96512	2.0
81.03450	2.0
83.01380	1.8
83.05017	5.5
84.02187	0.9
85.02924	4.4
87.00873	5.6
89.02442	12.4
95.01405	0.8
97.02958	2.1
99.00846	2.2
101.02441	12.4
109.06568	1.3
111.00849	0.9
113.02431	6.6
116.92851	2.7
119.03510	3.7
125.02446	6.3
127.03976	0.7
143.03497	2.6
161.04550	2.2
163.11267	4.0
165.12816	2.7
179.05612	3.0
191.10704	0.9
195.13853	1.2
199.13441	0.9
207.10254	2.9
207.47977	0.7
209.11821	100.0
210.12144	5.4
221.06772	1.4
225.11324	2.5
227.12889	11.8
228.13220	0.8
229.37508	0.8
235.08258	5.8
253.09291	1.5
277.21695	2.6
279.23270	55.5
280.23724	5.4
281.24863	3.2
287.07758	1.5
293.21338	0.8
295.22824	4.8
305.08856	2.1
307.19058	0.9
311.22336	1.7
365.26941	1.3
379.12314	5.8
397.13486	37.8
398.13916	2.6
401.42822	0.8
415.14618	7.9
743.45038	1.4
814.52374	8.5
887.49194	7.9
888.52954	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	887.4653
Annotation	Nostophycin
Peak:m/z	Relative Intensity
61.98551	1.0
61.98836	17.5
68.99567	1.3
69.03457	2.0
71.01012	1.5
71.01383	18.5
72.99324	2.6
73.02942	1.7
78.95901	2.5
80.91642	1.3
81.34347	1.0
82.95415	2.1
83.01391	1.4
83.05056	2.2
85.02958	4.0
87.00867	3.4
89.02460	10.7
95.01318	1.2
96.96017	18.8
96.96955	1.6
97.02959	3.5
97.06582	2.5
98.19949	2.7
98.95562	1.6
99.03738	1.1
99.92595	2.7
101.02440	10.5
103.00297	1.3
111.12598	1.2
111.67571	1.1
112.98550	2.3
113.02448	4.4
116.92102	1.4
116.92867	18.9
117.34499	1.0
119.03461	3.2
125.02433	3.0
151.11285	11.8
161.04506	1.8
169.01395	2.5
169.12352	55.3
170.12659	2.4
171.10207	3.1
195.13931	2.1
197.11862	1.9
207.10254	2.1
209.11925	6.7
211.13356	2.5
212.77962	1.1
213.11308	9.7
221.06688	3.1
223.13326	1.8
225.14989	1.3
225.79501	1.1
227.12831	1.6
235.08199	2.0
236.81752	1.2
253.09241	2.1
261.29834	1.3
275.20084	2.1
279.19531	1.5
293.21188	8.9
294.21811	1.5
309.20847	3.9
312.23520	1.1
339.57220	1.3
341.23233	1.8
397.13403	3.2
611.25562	3.2
887.46564	100.0
888.46863	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.23972	0.1
62.98530	0.1
71.01405	0.3
71.50005	0.2
78.95926	0.5
79.95709	0.1
80.75605	0.1
80.78022	0.1
80.96529	0.5
85.02954	0.2
89.02457	0.4
101.02409	0.2
113.02415	0.2
119.03516	0.2
125.02429	0.1
150.27628	0.1
152.99657	0.1
195.13896	0.2
207.10255	0.4
208.10533	0.2
209.11769	0.9
225.11357	0.3
227.12936	0.4
238.07239	0.1
277.21768	0.4
278.22232	0.2
279.23270	0.5
281.24918	0.3
291.19806	0.2
293.21072	0.7
294.21915	0.1
295.19894	0.1
295.22607	0.7
397.13757	0.6
658.01971	0.1
699.69568	0.2
724.42798	0.2
812.51630	0.6
886.49280	0.5
887.49182	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	86.2
63.99274	3.6
68.10117	2.4
68.74984	2.5
71.01391	13.9
73.02949	3.4
78.95911	8.3
79.95743	10.6
80.91661	3.7
80.96523	5.5
82.95432	4.0
84.95086	2.9
86.44107	2.5
87.00867	3.0
87.66560	2.4
88.04043	8.9
89.02444	7.9
96.96017	100.0
96.96974	10.9
98.19877	6.6
99.92645	2.6
101.02435	3.3
113.02444	3.4
115.00329	4.4
116.92871	37.2
125.02409	13.4
132.03030	34.3
154.56357	2.4
169.01404	13.8
171.10295	7.2
183.02997	4.5
197.11728	3.7
207.10281	4.1
209.11824	50.5
210.12128	3.4
211.13373	41.4
225.11334	3.2
227.12875	11.7
300.99835	4.4
343.21414	3.6
379.12274	6.2
397.13544	23.3
469.04816	5.7
493.89865	2.9
589.25165	4.1
591.26617	9.1
607.26324	4.2
609.27362	9.9
801.38843	9.3
819.39148	3.1
887.40942	21.7
888.41919	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	887.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	14.2
68.99560	4.3
71.01385	17.9
72.99308	1.9
73.02935	3.0
78.95901	3.2
81.03466	1.6
83.01392	1.9
83.05030	1.5
85.02964	2.4
87.00883	2.5
89.02442	9.0
95.01370	1.8
96.96004	18.4
96.96934	2.2
97.02923	2.0
97.06583	5.3
98.95592	3.3
99.00880	1.5
99.92588	2.3
101.02444	10.1
105.01966	2.0
112.98564	3.2
113.02460	4.2
116.92863	16.8
117.92852	1.1
119.03487	2.3
125.02447	4.6
126.71014	1.1
132.90038	1.9
133.01421	1.9
133.05049	1.4
151.11299	9.2
163.11319	1.6
164.96681	1.0
167.07066	1.0
169.01340	5.2
169.12349	37.1
170.12695	2.4
171.10236	3.5
179.05598	1.5
195.10223	1.9
195.13895	3.5
197.11842	5.8
207.10243	3.9
208.10551	1.3
209.11809	7.5
211.13348	1.5
213.11276	4.9
221.06715	2.0
223.13347	2.8
225.11284	2.2
227.12875	1.3
235.08258	2.0
253.09235	2.7
275.20016	2.1
289.17865	1.2
291.19455	2.7
293.21231	18.6
294.21539	1.5
309.20703	5.6
310.21332	1.3
327.21872	1.9
341.22852	1.4
397.13348	2.7
447.88229	1.1
490.51706	1.1
611.25037	1.6
753.40350	4.4
839.73853	1.3
887.46436	100.0
888.46777	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	885.5216
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	20.1
67.01866	1.2
69.03127	1.1
69.03435	5.4
69.35344	7.5
71.01382	29.7
72.99283	1.7
73.02930	4.2
80.02670	2.2
80.44420	1.0
81.03454	4.1
83.01395	8.6
83.05045	5.3
84.02164	3.8
84.21749	1.2
85.02942	9.1
87.00880	8.1
89.02446	21.2
93.34505	1.1
95.01385	2.5
95.04998	2.1
96.96015	9.2
97.02946	6.9
97.06590	13.3
99.00903	1.2
99.04530	1.0
101.02441	21.5
109.06579	1.2
111.08158	3.9
113.02447	13.8
119.03487	5.4
119.08632	1.3
121.06615	1.4
123.04533	2.3
123.08160	2.4
125.02459	8.6
125.09711	10.4
127.07604	1.0
135.08176	1.5
137.09712	2.7
143.03499	4.1
145.05031	1.6
151.11293	2.2
153.12933	1.5
161.04601	7.3
163.11305	7.5
164.11584	1.3
165.12817	6.6
167.10722	2.2
169.01390	1.1
169.12334	1.7
171.10268	13.4
175.11282	1.5
177.12817	1.8
179.05640	8.4
181.12321	4.5
183.13887	4.0
185.11830	6.4
191.10715	6.4
191.14394	3.7
193.12318	10.6
195.13876	1.7
197.11829	25.5
199.13377	16.1
207.10178	3.3
209.11823	80.8
210.12161	4.4
211.13385	39.0
212.13655	1.9
221.06621	2.0
221.11853	1.4
223.13425	5.0
225.11421	2.2
225.14919	17.3
226.11975	4.3
227.12874	39.4
228.13171	3.4
229.14310	1.3
235.08221	11.3
237.11424	2.6
238.12132	1.0
241.14436	47.7
242.14851	2.6
243.16002	5.7
245.14015	1.1
245.19073	8.1
246.19321	1.3
253.09274	24.6
263.20172	5.7
263.47781	1.0
264.06296	1.2
275.20020	2.2
277.21695	44.6
278.22119	3.8
287.07690	1.2
289.18112	29.7
290.18643	1.3
291.19644	12.2
292.20090	1.1
293.21210	34.6
294.21518	4.4
307.19159	27.2
308.19415	2.3
309.20667	26.1
310.21066	1.8
321.20673	7.6
341.23288	100.0
342.23679	8.3
372.79840	1.1
379.12497	5.1
397.13489	40.9
398.13803	2.8
415.14566	9.8
415.76144	1.0
416.14624	1.6
425.38699	1.0
457.53796	1.0
469.32922	1.9
543.27759	1.6
607.26068	3.1
609.27814	1.7
625.27197	6.1
885.48596	8.1
886.48950	2.2
909.78052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	0.4
69.03463	0.5
70.93263	0.8
71.01382	15.3
72.99308	0.9
73.02946	2.4
77.67901	0.3
80.02661	1.7
81.03468	2.0
83.01380	1.8
83.05031	5.2
83.40027	0.3
84.02182	1.1
85.02948	4.0
87.00867	4.1
89.02444	12.1
90.02760	0.3
95.01398	1.3
95.04998	0.7
97.02947	2.7
97.56577	0.3
99.00919	0.5
101.02446	11.4
101.03114	0.6
111.00861	0.4
113.02456	6.5
119.03508	3.6
122.11816	0.3
125.02452	5.1
125.06024	0.3
127.04042	0.4
131.03505	0.5
133.05045	0.5
135.08154	0.8
139.03981	0.4
141.01967	0.4
143.03497	2.5
161.04550	2.8
163.11292	3.7
165.12822	2.5
167.03471	0.4
179.05586	3.9
181.12376	0.7
187.39444	0.3
191.10791	1.1
199.06058	0.5
209.11821	100.0
210.12140	5.2
217.07089	0.5
219.05179	0.4
221.06587	1.5
221.94510	0.3
227.12872	12.4
228.13307	0.4
235.08192	4.5
236.08601	0.4
251.12920	0.5
253.09256	0.8
263.07654	0.4
277.21710	51.2
278.22055	4.1
287.07632	1.5
305.08737	1.6
323.09805	1.3
379.12436	6.7
380.12628	0.7
397.13492	37.9
398.13800	3.1
415.14563	10.0
416.14868	0.8
607.26208	0.7
675.35626	0.3
721.66888	0.4
746.83917	0.4
852.80609	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.5226
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	20.0
69.03468	4.8
70.25776	0.9
71.01382	30.2
71.07121	1.2
71.22413	1.0
72.99313	1.9
73.02949	5.2
78.95867	1.1
79.95733	1.0
80.02675	1.7
80.53423	0.8
80.96497	1.3
81.03461	5.9
83.01389	8.7
83.05025	7.1
84.02164	3.7
85.02959	8.1
87.00875	8.2
89.02448	23.1
95.01382	3.1
95.05012	3.0
96.96003	6.1
97.02948	7.5
97.06592	10.9
99.00859	1.2
99.04559	1.5
101.02443	22.7
109.06604	2.3
111.08159	5.6
113.02455	13.2
119.03530	5.6
119.08657	0.9
123.04494	1.4
123.08158	1.8
125.02449	9.0
125.09731	15.9
131.03500	1.5
135.08176	2.7
137.09731	5.0
143.03477	3.6
145.04974	1.0
146.04549	1.9
151.11325	1.4
155.10719	1.1
161.04541	7.6
163.11307	7.2
165.12878	5.8
167.10745	2.5
169.01505	1.6
169.12355	2.3
171.10249	16.4
179.05632	5.6
181.12257	4.5
183.13861	5.5
183.64885	0.8
185.11848	6.9
191.10742	6.1
191.14406	4.1
193.12341	14.8
195.13940	4.5
197.11827	27.3
199.13379	1.7
203.10811	0.9
207.10271	4.4
207.13795	1.2
209.11823	91.7
210.12175	6.3
211.13387	57.9
212.13710	3.1
221.06673	2.7
221.11771	1.5
223.13420	6.5
225.11308	3.9
225.14934	18.0
226.12039	3.8
227.12903	11.3
235.08231	11.0
237.11330	1.6
239.12955	2.4
241.14441	53.9
242.14757	4.0
243.15990	8.1
245.19040	7.3
251.13016	1.0
253.09271	26.5
256.12927	1.0
262.70526	0.9
263.07687	1.0
263.20212	3.2
271.16940	1.3
275.20084	4.6
277.21716	29.5
278.22043	3.3
287.07697	1.9
289.18100	33.0
290.18484	3.2
291.19626	18.9
292.19962	1.7
293.21222	64.9
294.21518	6.0
305.08862	2.6
307.19144	23.4
308.19424	2.1
309.20712	29.5
310.21039	2.8
321.20676	7.5
323.22327	1.6
334.14301	0.9
341.23312	100.0
342.23740	10.4
357.22842	1.1
379.12424	6.6
397.13513	42.8
398.13876	4.5
415.14548	14.7
416.14615	2.1
439.00262	1.0
516.33771	1.1
532.57739	1.1
591.27234	1.4
607.26526	1.3
609.27521	3.2
691.35352	1.7
774.16388	1.1
885.48077	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	884.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98532	0.1
71.01394	0.5
72.66798	0.1
73.02921	0.2
78.95908	0.6
79.95740	0.1
80.96532	0.3
85.02950	0.3
87.00896	0.2
89.02461	0.4
96.04214	0.1
97.02970	0.2
101.02441	0.4
109.06603	0.3
113.02460	0.2
119.03529	0.2
125.02460	0.3
139.69949	0.1
159.23605	0.1
163.11302	0.2
169.01434	0.1
195.14024	0.2
197.11740	0.1
199.13570	0.2
207.10240	0.7
208.10622	0.2
209.11816	0.9
225.00722	0.1
225.11282	0.6
226.11754	0.1
227.12959	0.3
243.29128	0.1
277.21756	0.9
278.22162	0.3
279.23367	0.3
291.19733	0.4
293.21317	0.5
295.22714	0.4
397.13629	1.0
415.14526	0.2
623.26416	0.2
705.41742	0.2
810.49487	0.6
816.45660	0.1
848.70483	0.2
884.48267	0.6
885.47833	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.502
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98516	0.2
68.99575	0.2
69.82716	0.1
71.01387	0.8
78.95921	0.1
79.95741	0.1
80.96516	0.4
82.35027	0.1
83.01415	0.1
85.02982	0.1
87.00893	0.2
89.02444	0.5
91.41923	0.1
97.02995	0.1
101.02454	0.4
109.06588	0.3
113.02443	0.2
125.02470	0.3
163.11308	0.3
183.13979	0.1
201.11255	0.1
207.10265	1.1
208.10570	0.2
209.11815	0.6
225.11299	1.0
226.11739	0.4
227.12885	0.2
229.51392	0.1
235.08475	0.1
253.09399	0.1
277.21683	1.1
278.22192	0.3
293.21341	0.1
333.18027	0.1
344.97339	0.1
364.51343	0.1
379.12366	0.2
397.13538	1.0
398.14032	0.3
415.14563	0.3
606.25220	0.2
884.47089	0.9
885.47412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.485
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.6
69.03452	0.7
71.01380	13.1
72.99297	0.9
73.02956	2.2
78.69431	0.2
78.92354	0.2
80.02672	1.3
80.20258	0.2
81.03471	1.5
83.01410	1.5
83.05023	5.8
84.02189	0.5
85.02946	3.3
87.00875	3.6
89.02444	11.5
93.03448	0.3
95.01369	1.1
95.05037	0.7
97.02942	2.1
98.19881	0.8
99.00875	1.1
101.02441	10.3
109.02953	0.3
109.06606	0.5
111.04517	0.3
113.02451	6.3
115.04005	0.3
119.03495	2.8
121.02989	0.3
123.48344	0.2
125.02447	4.9
125.06059	0.5
125.09708	0.3
131.03525	0.6
135.08214	0.6
139.04018	0.5
141.01912	0.5
143.03510	2.2
147.11815	0.4
149.04607	0.4
161.04553	2.3
163.11287	4.5
165.12857	2.4
167.03487	0.4
167.76112	0.2
179.05571	3.4
181.12355	0.9
191.10777	1.1
199.06107	0.4
199.13220	0.4
209.11818	100.0
210.12144	6.0
211.13437	0.2
217.07144	0.5
221.06682	1.5
227.12874	10.7
228.13251	0.9
235.08217	4.6
235.33679	0.3
251.12900	0.8
253.09171	0.7
259.08072	0.4
263.07730	0.5
277.21716	42.9
278.22086	3.9
287.07669	1.6
291.22903	0.3
305.08691	1.5
323.09894	1.0
379.12463	4.8
380.12842	0.5
397.13495	30.9
398.13663	2.2
415.14587	7.9
416.14996	0.8
589.24701	0.4
607.25543	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	884.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
63.68450	0.2
69.90120	0.7
71.01376	0.3
78.95905	0.4
80.96519	0.4
96.96995	0.3
111.12676	0.2
114.55793	0.2
186.75110	0.2
222.29980	0.3
397.13217	0.3
411.08325	0.2
424.18442	0.2
699.80353	0.2
819.48077	0.3
884.50006	0.4
885.48163	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98529	0.2
71.01397	0.5
71.50327	0.2
71.50729	0.3
78.09937	0.2
78.91892	0.1
78.95923	0.5
80.96529	0.5
89.02467	0.4
101.02441	0.2
109.06611	0.3
148.23064	0.2
152.99596	0.2
195.02158	0.2
207.10326	0.7
208.10646	0.3
209.12001	0.3
225.11407	0.4
277.21799	0.7
278.22235	0.3
378.67969	0.2
397.13589	0.6
507.44540	0.2
884.47339	0.7
885.47247	0.5
901.40887	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98536	0.3
63.99266	0.5
68.99545	0.2
71.01385	0.4
78.95921	0.2
79.95735	0.5
80.96520	1.0
82.95406	0.2
85.52631	0.2
87.00876	0.2
88.98837	0.3
94.98100	0.3
96.95985	1.0
97.02991	0.3
97.53822	0.2
103.59928	0.2
116.92894	0.4
123.00905	0.5
125.02447	1.5
129.01965	0.2
140.67390	0.1
163.11209	0.2
166.99905	0.2
168.00635	0.5
169.01401	1.6
175.02449	0.2
183.02992	0.7
209.11778	0.4
210.98045	0.2
211.13460	0.3
225.00882	0.3
225.11298	0.4
253.26831	0.2
268.14194	0.2
300.99771	0.3
468.54730	1.8
469.04984	1.0
469.55203	0.3
884.44763	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98539	1.0
69.43372	0.6
71.01389	4.2
73.02930	0.9
77.71424	0.6
78.95918	3.1
79.95731	1.2
80.96526	2.6
83.01383	0.7
83.05055	0.6
85.02958	1.9
87.00890	1.3
89.02461	2.1
97.02960	0.9
101.02476	2.4
109.06601	2.1
113.02460	1.6
119.03468	0.8
125.02485	1.3
126.90453	4.0
128.03552	2.0
150.88199	0.6
152.99615	3.3
159.60959	0.6
163.11353	1.4
164.98564	0.8
171.10300	5.5
207.10225	5.3
209.11807	1.5
211.13425	1.1
221.11913	0.9
225.11290	4.8
229.14627	1.1
229.24472	0.8
235.08200	4.2
253.09291	4.1
277.21741	21.0
277.24838	1.0
278.22147	2.3
293.21146	0.8
309.20749	2.5
327.21774	8.4
397.13626	2.3
415.14676	0.7
473.17139	0.8
545.29907	1.0
563.30786	1.0
702.05237	0.7
883.45551	4.2
884.47321	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	883.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	32.4
69.03457	2.1
70.97270	0.8
70.97594	0.7
71.01381	23.7
71.05003	0.6
72.99315	1.9
73.02943	3.0
73.30544	0.5
80.02686	0.9
81.03448	3.2
83.00983	0.5
83.01363	2.6
83.05002	3.2
84.60450	0.5
85.02946	6.5
87.00873	4.9
89.02446	18.7
93.03471	1.0
95.01400	2.4
95.05096	1.2
97.02949	11.6
97.06561	0.7
99.00880	3.2
101.02438	17.5
105.55257	0.5
106.04267	0.5
107.05025	0.9
109.06590	32.7
110.03723	1.2
110.06949	0.7
111.00892	0.8
111.04539	1.2
113.02451	9.7
119.03476	5.2
121.06615	2.0
123.04530	1.2
123.08141	0.5
125.02445	7.1
125.09705	0.7
131.03493	1.2
135.08191	3.8
136.05284	1.8
139.04022	0.6
141.01912	1.5
142.02731	2.9
143.03526	2.9
145.10219	0.8
148.68053	0.5
149.04561	0.7
152.76105	0.5
161.04556	4.2
161.09737	2.6
163.07614	0.6
163.11287	19.9
164.11662	1.4
165.09181	0.6
175.02489	0.6
179.05602	5.8
179.10757	1.1
181.12326	4.6
185.36447	0.6
189.09193	1.8
197.11864	0.8
201.11235	2.4
207.10254	100.0
208.10617	4.9
209.11801	5.6
210.12177	1.7
221.06577	2.9
225.11311	48.1
226.11664	2.1
235.08206	6.1
243.12274	2.5
253.09190	1.1
255.23227	1.7
256.23807	0.9
263.07675	1.3
277.21710	54.7
278.22028	4.8
281.13864	0.7
287.07764	2.3
299.14966	1.0
305.08890	1.5
323.09882	1.5
379.12375	5.7
380.13321	0.6
397.13489	41.1
398.13831	4.1
415.14566	13.5
416.14832	0.6
425.18552	0.6
441.33499	0.8
461.20346	0.7
587.23468	0.9
605.24469	9.8
606.24951	1.5
623.25616	9.0
624.25916	1.6
675.35413	0.8
693.45605	0.6
865.46167	2.0
883.46960	56.1
884.47314	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	883.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	24.8
69.03461	2.3
71.01380	27.1
71.01780	1.4
72.99297	2.1
73.02949	3.9
78.95879	0.9
80.02686	1.1
81.03450	3.4
83.01408	2.0
83.05009	3.3
85.02946	6.9
87.00873	6.9
89.02447	21.9
93.03448	1.3
95.01379	2.4
95.05040	1.1
97.02948	12.2
97.06597	0.7
98.19814	1.1
99.00865	3.7
101.02437	20.7
107.05034	1.1
107.46101	0.7
109.06590	29.0
110.03751	2.4
111.00909	1.0
111.04521	1.0
113.02452	12.0
119.03496	5.4
121.06596	2.2
123.04484	0.8
123.57778	0.7
125.02449	8.1
125.09698	1.5
131.03493	1.1
133.21571	0.7
135.08167	4.7
136.05310	2.3
139.04030	1.1
141.01987	1.2
142.02721	2.7
143.03476	3.1
145.05136	0.7
145.10265	1.4
149.04576	1.1
161.04529	5.1
161.09740	2.0
163.11282	20.5
164.11664	1.4
173.30060	0.6
179.05634	4.4
179.10727	2.0
181.12283	3.8
189.09210	2.5
197.53647	0.7
199.06158	1.0
201.11275	2.4
202.11646	0.7
207.10249	100.0
208.10606	7.5
209.11816	5.7
210.12029	1.6
215.12825	1.0
216.26826	0.6
217.07182	0.8
221.06702	3.1
225.11307	39.9
226.11670	2.9
235.08235	6.5
243.12296	1.9
253.09265	1.0
255.23201	2.7
256.23602	1.8
259.20566	0.9
269.06613	0.8
277.21707	75.8
278.22098	6.6
281.13684	0.9
287.07767	2.2
305.08768	2.3
379.12482	8.2
397.13480	54.3
398.13733	6.2
399.14072	1.5
415.14496	15.8
416.14975	1.8
441.33612	0.8
485.32486	1.0
575.74823	0.9
587.23114	1.2
605.24615	6.5
606.24884	1.1
623.25317	7.2
675.35626	1.2
810.49915	0.9
865.45776	2.0
866.45508	1.0
883.46936	54.4
884.47266	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	883.4692
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	25.3
63.57182	0.6
69.03451	2.0
70.98002	1.6
71.01387	24.1
71.05034	0.5
72.99308	2.0
73.02958	4.3
75.00889	0.9
78.95915	0.8
80.96482	0.6
81.03477	1.2
83.01388	2.7
83.05033	1.3
85.02947	4.7
87.00895	4.5
89.02448	17.1
93.03461	1.0
95.01389	2.5
95.05046	4.5
97.02950	6.6
99.00912	1.7
99.04534	0.6
101.02449	17.7
106.04234	0.7
106.26456	0.5
107.05016	0.6
109.02950	1.1
109.06595	7.7
110.03711	2.0
111.04535	1.2
111.08154	1.9
111.85619	0.5
113.01207	0.7
113.02454	9.8
119.03496	6.7
119.94048	0.5
121.06527	0.7
125.02461	6.5
131.03477	0.8
135.08040	0.7
143.03496	2.5
151.11259	1.0
153.12898	0.7
161.04544	3.2
161.09804	1.4
163.11299	8.4
169.12299	1.6
171.10205	0.8
179.05637	4.7
179.10774	1.7
181.12350	2.1
189.09192	4.0
195.13948	1.5
197.11845	6.9
207.10269	27.2
208.10670	1.3
209.11815	4.6
211.13519	0.9
221.06682	1.8
223.13335	0.8
225.11325	100.0
226.11678	5.4
227.12801	1.1
235.08209	4.6
253.09296	3.5
263.07666	1.2
277.21725	40.7
278.22150	4.0
287.07690	1.2
289.18069	0.7
291.19635	2.3
293.21136	7.3
294.21539	1.1
305.08908	1.9
309.20755	9.4
310.21091	0.8
323.09879	0.9
341.23227	2.0
379.12463	2.3
397.13522	42.6
398.13712	2.4
415.14609	10.6
416.14938	0.7
421.24298	0.7
424.79514	0.8
486.65607	0.6
524.21912	0.6
599.91083	0.7
605.24432	9.0
623.25494	8.2
624.25592	0.9
675.36072	1.1
760.95959	0.6
810.49176	1.5
883.46906	15.9
884.47522	4.8
886.18604	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87622	1.2
71.01382	22.1
71.51214	1.9
72.99289	1.2
73.02940	8.6
83.01371	2.9
85.02950	6.9
89.02446	16.2
90.56608	1.2
91.01892	1.8
95.01395	2.2
97.45358	1.1
99.00867	1.4
101.02438	13.3
108.02170	3.9
109.02949	16.9
113.02444	8.9
119.03481	5.4
121.02895	2.0
123.00894	2.3
123.04521	4.1
125.02405	4.5
131.03471	1.7
135.00882	6.0
137.02454	6.4
139.00371	1.2
139.03929	2.1
140.41447	1.3
143.03455	2.8
149.02411	10.9
151.00340	2.1
151.03952	3.7
152.01134	4.6
153.01915	6.4
160.01631	2.6
161.02435	1.2
161.04532	3.9
163.00372	13.8
165.02007	1.8
169.01396	4.9
178.47440	1.0
179.05600	1.5
183.06602	2.8
201.05472	1.1
211.02386	1.1
225.05550	3.6
259.06058	7.8
260.06323	1.4
269.04507	16.8
287.05600	67.7
288.05966	4.9
300.99759	1.6
316.07443	1.2
329.16055	7.4
347.17062	17.9
348.17215	1.9
361.90131	1.1
371.13562	1.9
389.18152	100.0
390.18677	8.1
431.12054	9.7
432.12100	3.3
433.13199	14.4
449.11002	2.4
453.41910	1.1
497.05963	1.3
842.65289	1.2
889.23224	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	883.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	8.1
65.79045	0.8
69.03468	1.2
71.01384	100.0
72.01707	1.2
72.99321	1.0
73.02944	1.8
78.30093	0.9
80.02680	1.2
81.03478	1.1
82.69154	0.7
83.01373	1.1
83.05024	2.8
84.51810	0.7
85.02953	3.3
87.00880	2.6
89.02438	6.5
95.01377	1.2
95.05038	0.9
97.02976	4.1
98.19917	1.5
99.00888	2.1
101.02451	8.2
102.01173	0.8
109.06604	6.7
113.02443	4.4
115.00372	1.1
119.03490	1.8
123.00916	1.1
125.02462	4.3
125.09674	2.2
127.11326	0.8
129.01941	1.6
135.08130	1.5
143.03482	2.2
161.04575	1.6
163.11308	6.3
165.12866	1.9
169.01387	1.2
171.10262	10.1
175.02457	1.9
179.05571	2.5
181.12280	3.1
185.11852	0.7
191.10751	0.9
199.13329	1.6
201.11378	4.0
207.10262	18.2
209.11826	54.1
210.12106	3.4
215.12773	1.2
221.06645	0.8
225.11310	16.4
226.11583	0.9
227.12880	8.7
228.13167	0.9
235.08188	2.2
243.12318	2.3
253.09358	1.1
300.99640	1.3
305.08951	1.1
379.12262	2.5
397.13483	12.5
398.13803	1.3
399.21115	1.2
415.14584	5.2
417.22678	2.2
423.34836	0.9
464.37979	0.9
478.51331	0.8
569.25269	1.3
605.24408	1.3
623.25629	4.0
776.17102	1.0
797.35730	1.5
815.37091	2.0
816.36676	0.9
833.37964	5.6
834.38239	1.4
851.38794	4.4
883.41980	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	882.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98520	0.1
71.01399	0.2
71.07123	0.2
71.07484	0.1
78.16880	0.1
78.95894	0.2
79.96276	0.1
96.96024	0.2
125.02452	0.2
169.01483	0.1
207.10326	0.1
209.11874	0.3
244.75461	0.1
341.23471	0.2
775.64410	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	882.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98555	0.2
68.99579	0.8
70.45762	0.2
71.01389	1.1
72.42731	0.2
72.99319	0.3
78.95922	0.5
79.95764	0.6
80.96562	0.2
88.98812	3.3
88.99355	0.2
89.02457	0.3
96.96014	1.5
96.96968	0.2
97.06608	0.2
98.19935	0.7
111.56665	0.2
112.98596	0.9
125.02475	0.7
169.01463	0.6
171.10263	0.5
207.10405	0.5
209.11815	1.1
209.30835	0.2
211.13489	0.4
213.90974	0.2
225.11482	0.2
246.67233	0.2
287.16629	0.3
341.23566	0.3
397.13675	0.3
445.15463	0.2
883.42096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98536	0.2
63.42247	0.2
71.01391	0.4
78.95905	0.2
80.96511	0.3
85.02969	0.2
89.02445	0.3
98.20630	0.5
101.02450	0.3
109.26679	0.2
113.02475	0.1
116.39969	0.1
126.90488	0.2
137.09825	0.2
138.81621	0.1
152.99559	0.2
163.11252	0.2
171.10350	0.4
173.34984	0.2
207.10263	0.8
225.11406	0.6
235.08321	0.4
253.09326	0.2
277.21661	1.4
293.21204	0.2
327.21829	0.7
397.13580	0.4
609.64020	0.2
697.34766	0.2
744.91675	0.2
845.66858	0.2
882.50909	0.4
883.47504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.93457	0.1
66.31455	0.1
67.69183	0.2
71.01396	0.7
71.49805	0.3
78.95908	0.3
80.96512	0.3
85.02979	0.3
87.00896	0.2
89.02457	0.5
91.19014	0.1
94.98177	0.1
101.02454	0.4
109.06585	0.3
125.02449	0.2
129.01988	0.2
152.99591	0.3
171.10365	0.2
207.10271	0.8
209.11830	0.4
223.13326	1.0
224.13820	0.3
225.11392	0.6
253.09229	0.2
263.49805	0.2
270.03177	0.2
277.21735	1.6
278.22098	0.4
397.13480	0.9
398.13910	0.2
622.27234	0.2
882.49860	0.4
883.46136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98534	0.3
65.54014	0.2
71.01391	1.0
71.50327	0.2
71.50729	0.2
78.95893	0.2
79.95731	0.3
80.96523	0.5
83.19341	0.2
85.02972	0.2
86.50382	0.2
87.00874	0.2
89.02460	0.6
97.03025	0.2
101.02483	0.6
109.06613	0.4
113.02454	0.3
125.02467	0.4
144.36470	0.2
156.13000	0.2
161.04601	0.2
163.11269	0.2
171.10220	0.2
207.10266	0.9
209.11908	0.3
223.13394	1.4
224.13776	0.6
225.11319	0.3
235.08302	0.3
247.05193	0.2
277.21686	1.8
278.22168	0.5
289.59836	0.2
293.21393	0.2
327.58508	0.2
332.72885	0.2
397.13324	1.0
398.13889	0.4
410.55438	0.2
415.14575	0.3
485.22375	0.2
497.18826	0.2
882.50409	0.4
883.46881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.398
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98547	0.1
63.99256	0.1
68.99562	0.2
71.01389	0.5
75.00881	0.3
88.58200	0.1
88.98795	0.2
89.02446	0.2
96.96020	0.3
101.02386	0.1
109.06597	0.1
118.65926	0.1
125.02439	0.4
129.01978	0.5
135.03015	0.2
163.11237	0.1
163.42081	0.1
163.62936	0.1
166.99843	0.1
169.01445	0.3
171.10260	0.3
178.01888	0.1
209.11852	0.6
211.13443	0.4
219.08102	0.1
225.11369	0.1
225.16586	0.1
227.12930	0.2
229.06641	0.1
355.32535	0.1
397.13486	0.2
415.13800	0.1
489.53549	0.1
614.73999	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	882.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98534	0.2
66.67471	0.2
71.01393	0.5
72.99283	0.1
75.00888	0.2
78.95907	0.4
79.95741	0.5
80.96527	0.5
88.98814	0.4
89.02423	0.2
91.84348	0.1
94.98103	0.2
96.96014	2.5
96.96967	0.3
119.00940	0.1
125.02438	0.3
169.01463	0.3
171.10266	0.3
207.10339	0.3
209.11847	0.6
229.06853	0.2
244.47144	0.1
341.23392	0.4
348.51016	0.1
618.33905	0.2
713.31073	0.2
721.46161	0.2
883.40039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5246
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
66.28095	2.6
71.01389	14.0
73.02934	3.9
78.95908	4.2
83.01388	3.0
85.02939	3.3
87.00890	3.0
89.02455	8.1
95.01368	3.1
101.02457	10.5
113.02441	6.7
125.02444	7.8
142.99884	3.1
161.04510	3.4
169.01398	3.6
171.10283	7.5
174.01724	2.4
179.05600	2.8
195.13846	4.1
197.11832	17.6
201.11360	21.7
207.10185	2.6
209.11810	28.2
211.13463	10.5
223.13455	2.6
225.11340	4.8
226.11807	3.3
227.12872	3.6
235.08211	6.5
253.09297	16.9
255.23325	31.0
256.23636	6.1
263.20090	2.7
277.21588	5.2
289.18243	3.7
291.19632	7.0
293.21255	42.9
294.21548	4.7
307.19022	3.5
309.20703	28.9
310.21213	2.8
397.13565	21.0
398.13895	2.9
415.14545	5.1
424.79044	2.2
432.48660	2.3
545.30408	2.8
863.48035	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	879.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	1.5
62.44954	0.7
63.96230	2.5
69.03455	1.2
69.72549	0.7
71.01379	10.2
73.02946	1.9
73.30453	0.7
77.21384	0.6
78.82768	0.6
78.95914	1.0
78.98588	9.3
79.75829	0.7
79.95732	26.0
80.96515	100.0
81.03468	0.9
83.01347	0.6
85.02959	2.9
87.00862	2.9
94.98085	22.6
96.96024	1.9
97.02964	1.7
99.00892	1.2
101.02441	2.8
106.98079	5.1
113.02460	0.7
122.97594	4.4
125.02411	3.2
134.97591	7.9
136.99132	2.1
148.99123	7.5
152.98640	7.2
164.98630	17.0
165.99026	0.7
205.34729	0.6
206.99739	3.5
225.00742	20.9
226.01173	1.1
238.52631	0.6
255.23270	2.1
283.04904	1.2
293.65613	0.7
351.85239	0.7
537.27655	1.4
623.27350	1.9
709.38373	4.1
735.39911	2.3
781.40326	0.9
861.46301	0.8
879.51166	95.3
880.51349	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.4026
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
61.98830	14.3
69.03455	3.6
71.01379	25.0
71.52323	1.8
72.99305	3.2
73.02933	4.7
75.00874	2.2
80.02671	2.1
81.03467	5.1
83.01384	4.2
83.05038	8.5
83.15501	1.3
83.48158	1.1
84.02176	1.5
85.02936	7.0
87.00868	4.0
87.34372	1.2
87.34883	1.3
89.02449	18.7
95.01383	2.1
96.96030	2.2
97.02949	5.8
97.03584	1.3
99.00900	1.2
101.02441	16.0
101.97605	1.3
113.02463	7.9
119.03526	2.6
123.00914	2.4
125.02456	10.6
129.01964	3.3
135.02989	1.5
135.08218	1.2
151.11247	1.9
153.12753	1.8
161.04546	2.3
163.11324	7.5
165.12816	3.2
169.01472	11.4
169.12340	25.4
170.12669	1.3
171.10223	3.8
179.05644	2.3
179.10817	1.9
179.90230	1.3
181.12134	1.6
191.10825	1.6
196.92221	1.7
197.11839	54.0
198.12178	2.7
209.11823	100.0
210.12178	6.1
211.66621	1.2
221.06621	4.6
223.09795	1.9
227.12851	8.0
235.08220	3.0
274.00970	1.7
299.46594	1.2
299.99225	1.9
300.99844	4.8
348.77441	1.3
389.11725	1.7
397.13654	6.6
415.14453	3.6
469.05017	7.2
784.07446	2.0
849.37506	59.0
850.37640	13.0
881.40320	86.5
882.40411	20.3
883.18665	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	881.4027
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
61.98536	1.7
61.98828	21.5
68.08409	0.9
69.03456	7.2
71.01381	20.1
71.05001	1.9
71.52361	1.6
72.99306	3.2
73.02937	4.2
75.00893	4.4
80.02677	2.5
81.03450	4.0
83.01382	2.7
83.05022	8.4
84.02160	2.2
85.02966	5.2
87.00873	4.7
88.98781	2.0
89.02448	11.5
95.01379	1.6
95.05005	1.9
96.96027	1.4
97.02946	3.3
97.06593	1.6
99.00843	2.8
101.02447	13.1
109.02939	1.1
109.06548	1.1
113.02447	5.7
115.00364	3.6
116.17692	1.0
119.03487	1.9
123.08161	2.0
125.02439	7.4
125.06062	1.5
125.09713	3.5
135.03001	1.3
135.08142	1.5
143.03487	1.2
149.09770	1.2
151.11284	3.7
153.12846	1.6
161.04581	1.0
161.09731	5.1
161.37988	0.9
163.11328	6.6
165.12817	3.4
169.01474	4.8
171.10207	2.7
173.06279	0.9
175.02490	6.8
179.05731	1.4
179.10773	8.2
197.11823	66.0
198.12173	3.1
209.11818	89.3
210.12135	6.4
219.40869	0.9
221.06657	3.2
223.09700	1.3
225.11198	1.1
227.12851	4.5
232.80746	0.9
235.08223	1.2
237.14983	1.1
241.10864	5.5
253.09328	1.6
276.35855	0.9
285.13397	1.4
291.21707	1.0
325.87900	1.0
397.13168	2.1
418.73483	0.9
440.15466	1.0
469.55347	1.4
519.99976	1.1
713.34015	1.7
731.34723	5.7
849.37616	100.0
850.37927	22.6
881.40149	46.0
882.40576	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	879.5128
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	6.9
65.95910	1.4
69.03438	1.6
71.01384	18.9
72.99318	2.3
73.02943	2.1
83.01387	2.4
83.05016	1.4
85.02941	3.0
86.52360	1.3
87.00883	3.6
89.02443	9.9
95.01397	2.4
95.05032	1.9
97.06575	3.0
98.19895	4.4
101.02443	9.8
109.06597	2.1
113.02467	6.2
114.92310	1.3
119.03493	2.6
123.08141	1.7
125.02442	4.0
125.09714	4.6
137.09662	1.4
143.03484	2.1
161.04567	4.3
163.11243	3.0
169.01387	1.8
171.10260	18.1
179.05588	2.9
181.12352	1.9
185.11765	3.1
191.14366	3.6
195.13879	6.2
197.11824	3.3
201.11357	3.6
207.10283	5.7
209.11864	10.1
217.16071	1.3
223.13474	7.0
225.11305	11.4
235.08217	5.3
237.11331	3.0
243.12444	1.8
245.19112	8.6
253.09265	20.9
255.23317	24.3
256.23654	2.6
263.19998	2.4
271.16901	2.3
275.20081	5.1
289.18094	50.3
290.18427	5.6
291.19537	2.4
293.21237	100.0
294.21616	8.3
307.19156	43.7
308.19366	4.1
379.12396	2.8
397.13504	16.1
415.14459	3.9
543.28412	1.8
693.97144	1.4
861.48779	4.4
879.48602	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	879.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	19.9
69.03445	1.1
71.01381	100.0
72.01722	1.2
72.99321	0.8
73.02945	4.0
78.95889	0.7
79.67020	0.5
80.96499	1.3
81.03477	0.9
83.01389	1.8
85.02956	4.5
87.00894	3.1
89.02438	9.2
95.05006	0.8
97.02949	3.7
99.00883	1.4
101.02434	9.5
109.06583	3.6
111.04518	0.8
111.08156	0.6
112.38741	0.6
113.02452	5.0
116.92871	1.9
119.03493	2.6
125.02445	3.4
125.09698	1.3
127.11291	1.3
141.01935	1.0
143.03517	1.9
151.01828	0.6
153.09346	0.8
155.10680	0.6
161.04568	1.8
163.11322	3.3
164.96114	0.5
165.09238	0.9
171.10258	17.9
172.10692	0.6
179.05623	2.0
179.10846	0.8
181.12370	1.9
185.11801	1.7
189.09177	1.1
197.11855	1.2
199.13380	0.7
201.11330	11.2
207.10248	11.7
208.10478	0.7
215.12927	1.6
221.06718	1.0
225.11301	18.3
235.08270	2.6
243.12357	2.6
245.66185	0.6
253.09312	1.0
255.23285	37.6
256.23569	2.9
287.07544	0.8
305.08844	0.9
323.09641	0.7
379.12457	3.5
397.13458	20.0
398.13800	1.3
415.14612	4.2
419.88916	0.8
434.50858	0.7
439.14407	1.0
457.15616	0.6
605.24493	1.2
623.25720	2.3
745.75507	0.7
750.91406	0.6
861.48236	6.0
862.49030	2.0
879.49475	7.1
880.50580	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	879.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	3.2
68.67730	0.7
69.03474	1.2
70.77119	0.7
71.01382	100.0
71.49971	1.0
72.01720	2.4
72.99305	0.9
73.02943	5.2
78.95949	0.8
81.03445	1.2
81.85144	0.9
83.01386	1.4
83.05025	1.0
85.02950	3.6
87.00881	3.6
89.02448	12.8
95.01386	1.9
95.05052	2.0
97.02962	3.4
97.06570	0.8
99.00881	2.1
99.52843	0.7
101.02432	11.1
109.06585	3.9
113.02451	6.7
119.03508	3.0
121.34146	0.7
123.00858	1.1
125.02480	5.9
125.09686	1.7
127.11321	1.8
137.09709	0.9
141.01961	1.9
143.03471	3.7
155.10777	1.2
161.04565	2.8
163.11292	4.5
169.05139	0.8
171.10272	30.7
179.05626	4.0
179.10571	0.8
181.12338	2.5
185.11801	2.0
189.09142	1.2
197.11842	1.4
199.13402	1.2
201.11317	18.8
207.10234	14.9
209.11975	1.0
215.12900	2.1
221.06702	2.2
225.11330	28.4
226.11664	1.1
235.08339	3.7
243.12419	3.1
253.09363	2.1
255.23267	36.9
256.23697	3.0
287.07910	1.0
289.18201	2.0
291.19720	1.3
293.21149	4.0
305.08994	1.2
307.19159	2.3
379.12399	6.0
397.13477	25.2
398.14056	2.0
415.14569	6.8
439.14682	1.5
457.15823	1.5
551.23566	0.9
569.24658	1.8
605.24768	2.5
623.25665	3.6
653.38257	1.2
781.22113	0.8
861.48743	6.7
862.49402	1.7
879.49219	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	879.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	2.4
69.03437	2.4
71.01379	23.0
71.05016	2.8
72.99292	1.7
73.02946	6.0
75.48196	0.8
78.95892	1.6
81.03445	1.0
83.01372	2.8
83.04982	1.4
84.64746	0.9
85.02956	5.9
86.19082	0.9
87.00869	4.4
89.02440	16.7
95.01388	1.3
95.05014	1.0
97.02953	7.2
97.06581	3.1
99.00875	13.5
101.02441	16.4
109.06554	2.8
111.04480	1.1
111.08121	0.8
113.02428	7.4
119.03485	3.1
123.08141	1.0
125.02443	6.1
125.09711	6.2
127.11302	2.0
135.08189	1.3
142.02769	1.0
143.03493	2.3
158.42392	1.0
161.04535	2.4
163.11256	7.6
169.01463	0.8
171.10262	21.6
179.05582	2.0
179.10757	1.3
181.12323	12.8
197.11806	3.8
199.06039	0.9
199.13353	10.9
201.11275	5.8
207.08362	1.9
207.10265	30.8
208.10562	2.0
215.12712	1.2
221.06662	2.0
225.11310	48.0
226.11638	3.2
229.16603	0.9
235.08307	4.1
243.12387	10.7
253.09163	1.8
255.23270	75.4
256.23581	6.2
289.17981	1.0
291.19653	6.3
305.08673	0.9
307.18961	1.9
309.20703	3.9
379.12204	5.3
397.13492	21.5
398.14188	1.6
415.14590	4.7
551.23468	1.4
599.69891	1.0
605.24640	2.3
623.25385	2.9
635.36456	2.0
653.37476	2.4
664.45557	0.9
861.48529	14.5
862.49530	4.0
879.49554	100.0
880.49890	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	879.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33800	0.7
63.96235	2.6
69.03465	1.2
71.01379	10.1
73.02950	3.1
78.98611	6.5
79.95739	56.5
80.63629	0.7
80.96519	100.0
81.03471	1.1
85.02930	4.0
87.00879	4.2
94.98093	23.5
96.96002	1.4
97.02953	2.2
99.00883	0.8
101.02448	2.5
105.64710	0.7
106.98112	3.9
122.97591	6.1
125.02449	4.2
134.97585	7.1
136.99118	3.1
148.99124	7.8
152.98625	6.7
154.17447	0.7
157.47214	0.7
161.04559	1.1
164.98634	13.8
167.00204	1.1
171.10283	1.6
206.99706	4.6
225.00757	26.4
225.51160	0.7
226.00887	1.1
241.00238	1.1
250.42299	0.8
255.23311	1.6
280.84735	0.7
283.05075	0.9
341.05490	2.4
355.06778	1.3
425.14911	1.7
453.14502	3.4
537.27264	3.4
609.30096	1.1
623.31110	1.0
637.32349	1.5
679.37347	2.0
709.38342	70.1
710.38849	13.3
737.41144	4.6
738.40851	1.0
761.20135	0.8
765.41046	7.3
766.41406	1.1
781.40668	5.5
782.41150	1.7
791.45734	1.0
879.47821	33.7
880.48315	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	879.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	6.5
63.96243	1.7
64.97031	0.6
69.03450	0.8
70.16426	1.4
70.16780	1.0
71.01388	10.2
71.49553	0.5
72.50073	0.6
73.02964	1.7
78.98599	8.4
79.94174	0.5
79.95740	49.9
80.96520	100.0
81.03442	0.9
85.02950	3.4
87.00880	3.3
87.84666	0.5
93.08974	0.5
94.98092	21.7
95.01386	0.7
96.96003	2.0
97.02968	1.9
99.00843	0.7
101.02450	3.3
106.98084	3.5
111.97022	0.5
113.02477	0.5
122.97593	5.8
125.02461	4.2
134.97585	7.0
136.99164	3.1
148.99142	7.4
152.98627	7.9
161.04594	0.9
164.98628	14.2
171.10289	1.2
199.62965	0.5
205.20880	0.6
206.99687	5.7
213.15999	0.5
225.00743	28.1
226.01047	1.1
239.44394	0.5
241.00215	1.6
245.45886	0.6
255.23256	2.0
283.04852	0.9
312.89029	0.5
341.05569	3.1
355.06958	0.9
413.07529	0.6
425.14938	1.8
453.14236	2.7
461.20929	0.7
468.65936	0.7
537.27649	3.8
538.27887	0.8
609.29388	1.4
623.31244	0.8
637.32349	0.8
679.37366	1.5
709.38397	61.0
710.38776	12.6
735.40021	0.9
737.40662	4.5
738.40869	0.7
763.40466	0.8
765.41156	6.5
766.41132	1.2
781.40381	6.4
782.40503	2.1
875.50604	0.7
879.48053	31.0
880.48352	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	879.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
71.01382	41.1
73.02924	2.6
75.00870	3.0
78.95902	1.5
81.03457	2.3
83.05009	2.5
87.00868	1.5
88.95969	1.2
88.98813	11.8
89.02448	2.8
95.01391	1.6
101.02447	1.3
105.01924	4.0
106.04288	1.4
109.06588	5.5
113.02467	2.3
123.00877	2.7
125.02405	6.4
131.11160	1.3
163.11232	6.3
165.12796	1.5
169.01468	6.7
171.10272	11.2
181.12402	2.4
201.11301	3.4
207.10242	17.2
208.10513	1.4
209.11813	50.2
210.12141	4.4
217.22682	1.3
225.11308	16.7
227.12912	8.1
243.12411	1.7
253.09245	5.3
264.90237	1.3
301.00034	1.7
376.98956	1.3
399.21683	1.7
417.22708	1.5
461.20590	3.1
468.54684	3.2
469.05161	3.9
469.55350	1.7
635.30383	2.1
653.31372	2.4
671.32043	6.2
672.33069	2.8
759.53638	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	879.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
69.80566	12.0
71.01390	17.4
72.99308	10.1
73.20231	2.5
75.00873	4.0
77.93309	2.7
82.95882	2.1
83.01386	2.2
83.05025	5.4
84.92287	2.4
85.02959	4.7
87.00875	5.4
88.98801	14.4
89.02445	13.2
95.01425	3.8
97.02990	2.2
101.02461	13.4
105.01910	3.2
113.02460	8.0
114.50586	2.2
123.00905	2.6
125.02460	18.1
163.11288	4.9
165.12881	2.9
169.01430	15.6
171.10249	6.8
174.89006	2.6
179.05595	2.9
183.13820	3.4
195.13916	5.6
207.10287	6.2
207.49905	2.2
209.11804	99.0
210.12164	3.5
211.13368	59.8
225.11240	5.2
227.13016	10.5
235.08202	4.0
237.15042	3.6
253.09369	3.7
287.07590	2.6
300.99951	2.7
335.68414	2.3
343.84985	2.4
379.12680	4.4
397.13516	31.7
398.14212	2.8
415.14621	9.7
418.76962	2.3
469.05255	10.7
607.26532	3.9
609.27570	4.1
698.52069	2.3
778.23694	2.3
847.39478	9.3
879.41852	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	877.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	0.9
66.81873	0.5
69.03450	5.4
71.01380	14.3
71.05000	0.9
72.99303	1.2
73.02944	2.1
83.01375	1.8
83.05042	0.9
84.39178	0.5
85.02949	3.8
87.00855	2.3
89.02441	10.1
93.03437	0.6
95.01408	0.9
97.02940	2.6
97.06580	0.9
98.19868	1.5
99.00871	1.2
101.02440	8.5
105.01865	0.5
111.04518	0.6
113.02444	3.7
119.03487	1.7
121.02898	0.8
123.08159	1.1
125.02419	2.1
125.09704	2.3
143.03452	1.3
151.11264	1.8
153.12872	1.3
161.04497	1.1
161.09676	3.4
171.10291	0.9
175.02452	0.8
179.05684	0.7
179.10756	4.9
197.11818	36.4
198.12129	2.5
209.11798	1.2
221.06740	1.3
223.09734	1.3
229.37552	0.6
235.08188	1.2
237.22267	0.6
241.10771	1.7
255.23274	49.4
256.23648	3.7
397.13522	3.2
474.08475	0.6
740.31384	0.5
849.86346	0.6
877.47937	100.0
878.48218	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	877.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	1.6
67.35286	0.8
69.03452	4.4
70.35330	2.9
71.01379	13.5
72.99297	1.6
73.02940	2.2
81.45538	0.8
83.01405	2.2
83.05049	0.8
85.02955	3.6
87.00884	2.7
89.02445	9.2
95.01398	1.2
97.02937	2.4
97.65158	0.8
101.02457	8.0
109.02933	2.2
109.22347	0.8
111.27105	0.9
113.02454	4.1
116.48942	0.8
116.92824	0.9
119.03472	2.4
123.08195	1.1
125.02461	3.9
125.09733	1.8
131.03531	0.8
143.03502	1.8
151.11292	1.3
153.01955	1.6
153.12909	1.0
161.04474	1.0
161.09734	2.8
171.10213	1.7
179.10701	4.0
181.62851	0.9
197.11827	59.8
198.12138	2.5
205.08807	0.8
209.11778	1.5
221.06705	2.3
223.09732	3.0
235.08199	1.5
241.10809	4.3
255.23286	32.9
256.23639	3.9
293.21161	2.4
397.13455	5.6
410.43573	1.0
415.14447	1.9
510.37204	0.9
550.78290	1.3
639.25726	1.1
701.49097	1.0
859.47424	1.7
877.48010	100.0
878.48315	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	875.4298
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99283	5.2
61.98828	21.3
69.03432	3.5
71.01382	22.7
71.81909	1.6
72.99304	4.5
73.02954	3.9
75.00875	4.7
81.03461	1.8
83.01391	1.8
83.05019	2.0
85.02948	3.6
87.00849	8.4
88.00406	2.3
88.98805	26.8
89.02445	20.8
89.62932	1.6
96.95981	2.2
97.02952	4.2
101.02450	15.8
103.00329	3.0
105.01910	2.4
109.06567	2.1
113.02435	7.4
116.92877	9.8
119.03505	6.1
123.00880	2.1
125.02432	10.7
161.04521	5.0
167.10779	3.9
169.01419	5.7
171.10255	2.1
179.05556	6.5
179.14282	2.0
183.13779	4.9
193.12329	2.1
195.13892	11.2
196.17293	1.5
201.11243	3.6
205.12431	7.8
207.10277	4.4
209.11833	12.5
211.13388	100.0
212.13707	7.5
221.89204	1.5
223.13391	72.2
224.13631	4.5
225.11189	3.7
227.12849	2.8
235.08200	4.0
241.72939	1.6
253.09131	3.2
287.07950	2.7
293.16388	1.7
296.96896	1.7
309.20654	2.6
328.48251	1.5
337.17096	1.6
379.12531	5.8
395.78198	1.9
397.13489	42.3
398.13815	1.9
415.14560	8.7
441.11044	1.8
465.09152	1.7
477.82007	2.0
548.08105	1.9
579.61151	1.8
591.26257	5.8
603.26624	9.9
604.26776	1.8
609.27698	7.2
621.27466	11.2
622.28247	2.4
797.39355	5.7
815.39954	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	873.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	5.5
69.03460	1.4
71.01382	5.7
71.51391	0.5
72.99305	0.8
73.02939	0.7
80.96513	0.6
81.03463	0.5
83.01384	0.8
83.05003	0.9
83.47415	0.4
85.02950	6.5
87.00885	1.1
88.98790	0.4
89.02441	3.6
95.01386	0.7
95.05022	0.8
95.84077	0.3
96.95998	1.2
97.02964	1.4
97.06578	2.3
101.02444	3.7
109.06594	1.3
109.92375	0.3
111.00867	0.5
113.02438	1.7
119.03497	1.4
123.00958	0.6
123.08125	0.4
125.02438	1.9
125.09744	1.1
127.11304	1.4
135.08194	0.5
137.09726	1.5
155.10793	1.0
155.14395	0.5
161.04539	1.2
163.11287	0.9
165.09360	0.4
165.12773	0.4
167.10710	0.4
167.14452	0.7
169.01434	1.6
171.10263	18.6
172.10686	1.0
177.12834	1.0
179.05646	1.0
183.02950	0.8
183.13905	2.8
185.11813	1.3
193.12297	1.1
197.11850	0.8
201.11319	1.4
203.10788	0.5
207.10248	2.4
209.11845	3.6
211.13391	17.5
212.13760	2.0
221.11777	2.0
223.13184	0.5
225.11340	1.5
227.12869	0.9
229.14439	10.8
230.14894	0.6
235.08226	1.0
239.12842	1.8
247.20738	0.5
253.09285	18.3
254.09720	1.0
268.33096	0.4
291.19638	3.3
309.20575	2.9
327.21762	100.0
328.22113	9.3
341.23416	1.1
385.43500	0.4
397.13510	1.3
563.30780	7.8
564.30762	1.1
637.43164	2.8
638.43488	0.6
817.39240	0.9
818.38635	0.5
873.39264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
63.04928	0.1
64.03737	0.1
65.00336	0.2
65.78969	0.2
67.78738	0.2
68.99780	0.2
69.34203	1.3
71.01378	0.2
72.99303	0.2
83.01381	0.3
110.00117	0.3
111.00879	1.6
123.00855	0.4
124.01603	1.1
125.02448	0.3
127.00387	0.5
128.77695	0.2
136.98804	1.2
139.00388	1.6
140.01147	2.6
142.72932	0.2
151.00310	0.3
154.99889	0.3
168.00636	4.7
169.01256	0.4
183.02971	100.0
184.03308	3.7
316.22787	0.1
335.04056	15.2
336.04395	1.3
469.54272	0.2
539.21161	1.5
881.14410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03867	2.6
68.73738	2.6
69.25092	26.0
71.01006	4.8
71.01389	69.4
72.99283	2.8
73.02956	20.6
83.01382	12.1
85.02963	30.0
89.02436	19.6
95.01382	6.0
99.00873	6.2
101.02439	45.2
113.02466	31.8
119.03524	5.9
125.02451	6.5
143.03453	5.3
159.02965	4.6
160.52190	3.1
161.04524	22.6
169.01439	3.9
169.12402	4.1
203.72156	2.7
209.15431	8.2
313.16473	11.7
331.17587	37.1
332.17911	4.0
333.95105	3.3
353.19623	31.4
354.19904	4.9
371.20767	43.6
372.21048	4.9
373.18671	66.1
374.19006	8.8
413.21857	100.0
414.22070	13.9
416.16583	3.6
417.21365	7.6
517.76953	3.0
607.40771	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	873.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.94071	4.4
63.99275	6.9
74.42535	4.8
94.10729	4.5
98.20808	8.9
116.92912	4.1
125.64587	4.8
134.29521	4.1
209.11833	4.4
211.13474	4.7
247.63634	5.5
253.09114	7.8
269.60446	4.9
277.21707	27.8
307.39304	5.0
341.23410	27.1
397.13309	4.9
522.19702	4.7
775.72156	5.3
873.50641	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	871.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	14.1
67.01887	1.1
68.99553	1.5
69.03454	3.0
69.83391	0.8
71.01382	12.4
73.02957	4.2
75.00884	0.7
80.02669	1.3
81.03453	2.6
83.01392	3.1
83.05023	3.8
84.02163	1.0
85.02946	12.1
87.00878	3.6
89.02442	8.2
95.01385	1.8
95.05024	1.9
96.96005	3.4
97.02944	3.0
97.06598	8.0
99.00874	1.2
99.92585	10.8
100.92570	1.3
101.02448	8.8
108.67612	1.0
109.06570	1.0
111.08141	2.7
112.98599	0.9
113.02455	4.2
116.92863	87.0
116.97261	1.0
117.01928	3.5
117.92869	5.2
119.03498	1.5
119.08727	0.9
123.04539	2.1
123.08148	2.4
125.06082	1.1
125.09728	8.6
127.11256	2.3
137.09756	4.7
145.05064	1.8
147.08122	0.8
151.11276	1.0
155.10786	1.8
161.04555	5.0
163.11282	7.8
165.09090	1.0
165.12796	4.1
167.10793	0.8
167.14253	0.9
167.94258	0.9
169.12346	1.4
171.10272	34.7
172.10588	1.6
177.12796	1.3
179.05559	1.0
181.12282	2.3
183.13858	2.4
185.11838	7.7
191.10867	1.5
191.14410	5.2
193.12244	2.0
193.97037	0.9
197.11848	18.8
198.12216	1.0
199.13400	1.8
201.11259	1.0
207.10217	3.2
209.11816	54.2
210.12230	3.8
211.13383	17.7
212.13701	1.6
221.11836	1.9
225.11316	3.5
227.12872	10.1
229.14374	11.1
229.16151	1.0
235.08231	6.8
237.11276	2.6
239.12941	1.8
245.19138	8.7
246.19333	1.7
253.09273	26.1
254.09608	2.1
263.20184	3.4
271.16803	1.2
279.78284	0.8
289.18091	40.5
290.18509	4.6
291.19617	11.7
293.21283	1.8
307.19128	33.7
308.19431	5.4
309.20700	18.9
310.20953	2.3
325.20041	1.1
327.21753	100.0
328.22107	9.5
343.21109	1.1
445.20737	1.8
563.31396	0.8
628.69043	0.8
725.30365	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	16.5
63.36726	2.1
63.99200	2.1
68.99573	30.1
71.01374	17.7
72.00651	1.8
73.02949	2.2
78.95892	2.5
83.01347	2.2
84.79376	1.7
85.02949	3.4
87.00861	3.2
89.02450	12.7
94.87036	1.7
95.01413	2.7
97.02943	3.0
97.06575	2.5
101.02415	13.9
104.09254	2.1
104.96408	2.0
107.23972	2.1
108.43076	2.1
112.98575	28.1
113.02425	4.8
116.92808	3.2
117.92847	1.8
125.02431	5.1
151.11266	11.2
164.20970	1.9
169.01398	2.5
169.12338	71.6
179.05556	2.5
179.48427	2.1
195.10280	2.8
197.11794	5.7
209.11749	4.8
211.13501	3.9
213.11288	6.2
221.06645	3.6
226.26590	2.0
235.08270	2.2
235.45088	2.0
253.09293	5.1
277.21689	21.5
289.18066	11.4
291.19598	7.1
293.20987	3.3
307.19177	10.4
309.20734	11.4
397.13452	6.1
453.36087	2.3
470.82516	2.2
595.66858	2.1
611.25165	4.2
681.94568	2.2
737.41663	2.2
871.46844	100.0
872.47247	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	871.463
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	2.5
67.01839	1.0
68.64876	1.0
69.03438	1.8
69.44864	0.9
69.95181	4.4
71.01385	13.4
72.99303	1.4
73.02937	2.6
81.03459	1.6
83.01379	2.4
83.05033	1.2
85.02959	3.0
87.00877	2.8
89.02463	12.3
95.01364	1.3
96.01830	1.0
97.02945	2.1
97.06606	5.0
98.19962	1.0
101.02452	9.3
113.02467	5.4
119.03485	2.2
125.02455	2.4
143.03426	1.2
147.34447	1.1
151.11293	10.8
169.12349	37.3
170.12685	2.7
171.10400	1.1
179.05473	1.2
185.11868	1.0
195.10191	1.9
197.11842	1.1
209.11816	2.0
211.13364	1.8
213.11340	6.1
235.08176	1.7
253.09190	1.9
277.21732	28.5
278.22083	2.6
289.18018	1.7
291.19504	1.9
293.21158	1.2
307.19131	1.4
309.20746	3.2
315.62018	1.0
333.05847	1.1
341.23404	1.1
379.12555	1.3
397.13739	4.6
407.12976	1.0
415.14545	1.2
416.28354	1.1
483.30475	1.0
520.22461	1.1
593.24200	1.4
611.26593	1.3
717.55243	1.1
797.84784	1.2
871.46942	100.0
872.47400	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	871.462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
66.97244	15.1
68.69837	14.9
69.40210	20.1
71.01385	54.7
71.05493	15.5
78.95924	36.8
87.00922	19.2
89.02435	30.4
101.02438	36.5
116.92870	30.6
125.02474	18.3
127.75232	17.3
177.30087	17.9
197.11877	25.8
204.24188	16.9
209.11867	88.0
211.13461	98.4
212.13756	31.9
213.11098	23.4
227.12981	16.9
253.09360	46.4
263.20099	22.8
277.21725	59.7
278.21906	40.2
281.24854	33.6
291.19644	24.4
295.22333	19.8
307.19116	55.9
309.20694	72.8
381.89984	21.2
397.13388	50.5
398.14120	16.3
464.84470	18.7
871.46606	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
70.26082	14.4
71.01382	66.8
71.50643	27.1
78.95890	24.9
89.02461	37.3
95.93484	17.4
101.02444	27.7
103.80372	14.2
104.06793	14.9
113.02440	26.6
116.92867	43.9
125.02459	17.2
151.11362	17.9
180.50177	16.0
185.11916	19.2
197.11794	29.6
209.11874	80.5
211.13411	49.2
227.12900	19.9
253.09160	32.2
277.21759	47.1
281.24945	54.2
291.19711	24.4
307.19180	65.9
309.20715	42.8
381.86646	14.7
397.13602	54.6
408.48856	16.0
423.33798	19.1
558.85382	15.3
871.46521	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	871.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	35.4
68.99548	20.1
69.03454	4.4
70.06590	4.9
71.01385	22.7
71.49690	4.1
72.99342	4.3
78.09509	3.8
83.05025	5.3
84.02143	5.2
85.02948	6.1
86.08097	3.9
86.87997	4.4
87.00880	6.7
88.04012	8.7
89.02439	17.8
89.68647	4.0
95.01377	6.4
95.13794	5.0
96.96017	30.6
97.02957	5.1
97.06596	7.8
99.04525	4.9
99.92560	8.9
100.50966	4.6
101.02432	17.1
107.01405	4.5
111.08154	10.5
112.98559	16.6
113.02451	11.1
114.05622	5.7
116.92858	100.0
117.01939	8.2
117.22322	4.0
117.92876	18.9
118.92671	12.2
119.03476	6.9
119.53880	4.2
123.00857	4.7
124.01588	4.9
125.02473	26.6
125.09732	5.6
132.03017	17.0
137.62910	4.3
146.04575	13.8
147.04942	5.1
158.04515	8.0
161.04562	5.2
163.11292	6.7
168.00624	6.4
169.01468	23.9
169.12294	5.0
171.10251	44.4
172.10532	7.4
187.09836	6.4
193.12320	20.3
197.11835	56.2
198.12198	5.6
199.09724	4.9
207.10310	8.2
209.11833	67.2
211.13324	21.0
213.11333	5.6
225.14897	21.8
227.12892	10.3
235.08221	9.2
243.15938	10.5
247.20564	4.4
253.09256	57.4
254.09489	9.5
256.81372	4.4
277.21960	9.7
289.18033	28.0
291.19662	40.5
292.19861	7.0
293.21112	12.7
307.19168	7.0
309.20715	70.5
310.21033	11.3
311.22208	46.2
323.21738	4.4
325.20175	7.3
327.21780	14.8
328.21939	5.8
341.23264	73.5
342.23526	13.7
343.24826	83.4
397.13742	6.4
468.54688	13.4
469.04968	9.1
469.55319	4.7
473.32053	4.4
627.23053	5.2
635.45630	10.5
871.46393	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	35.4
68.99548	20.1
69.03454	4.4
70.06590	4.9
71.01385	22.7
71.49690	4.1
72.99342	4.3
78.09509	3.8
83.05025	5.3
84.02143	5.2
85.02948	6.1
86.08097	3.9
86.87997	4.4
87.00880	6.7
88.04012	8.7
89.02439	17.8
89.68647	4.0
95.01377	6.4
95.13794	5.0
96.96017	30.6
97.02957	5.1
97.06596	7.8
99.04525	4.9
99.92560	8.9
100.50966	4.6
101.02432	17.1
107.01405	4.5
111.08154	10.5
112.98559	16.6
113.02451	11.1
114.05622	5.7
116.92858	100.0
117.01939	8.2
117.22322	4.0
117.92876	18.9
118.92671	12.2
119.03476	6.9
119.53880	4.2
123.00857	4.7
124.01588	4.9
125.02473	26.6
125.09732	5.6
132.03017	17.0
137.62910	4.3
146.04575	13.8
147.04942	5.1
158.04515	8.0
161.04562	5.2
163.11292	6.7
168.00624	6.4
169.01468	23.9
169.12294	5.0
171.10251	44.4
172.10532	7.4
187.09836	6.4
193.12320	20.3
197.11835	56.2
198.12198	5.6
199.09724	4.9
207.10310	8.2
209.11833	67.2
211.13324	21.0
213.11333	5.6
225.14897	21.8
227.12892	10.3
235.08221	9.2
243.15938	10.5
247.20564	4.4
253.09256	57.4
254.09489	9.5
256.81372	4.4
277.21960	9.7
289.18033	28.0
291.19662	40.5
292.19861	7.0
293.21112	12.7
307.19168	7.0
309.20715	70.5
310.21033	11.3
311.22208	46.2
323.21738	4.4
325.20175	7.3
327.21780	14.8
328.21939	5.8
341.23264	73.5
342.23526	13.7
343.24826	83.4
397.13742	6.4
468.54688	13.4
469.04968	9.1
469.55319	4.7
473.32053	4.4
627.23053	5.2
635.45630	10.5
871.46393	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.99264	1.1
68.99561	4.3
69.92009	4.4
71.01389	8.4
72.99309	1.0
73.02947	0.9
78.95930	1.2
79.95776	1.1
80.96516	1.4
85.02957	1.3
87.00877	1.5
89.02444	4.6
95.01367	1.0
96.96021	16.5
96.96970	1.3
97.02934	1.1
97.93177	1.0
98.20614	0.8
98.95605	2.9
99.92593	1.1
101.02475	4.6
112.98572	2.9
113.02490	1.9
114.93403	9.4
115.00389	1.3
116.92857	3.8
119.03468	1.2
125.02448	3.3
161.04617	1.1
163.56403	0.8
169.01375	1.7
171.10287	3.6
174.56047	0.8
183.13881	2.9
197.11864	2.3
199.09743	3.0
201.11328	1.8
207.10263	3.4
209.11777	4.9
210.12222	1.0
211.13429	8.6
225.11334	3.6
227.12830	2.8
232.52876	0.8
235.08220	1.4
253.09328	1.7
309.20721	2.2
325.20288	2.3
327.21820	3.6
343.21277	0.9
397.13547	7.4
415.14651	2.4
625.27429	1.0
679.67163	0.9
773.35815	1.1
808.67871	1.0
817.38251	1.4
835.39813	2.3
871.38062	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	871.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.99264	1.1
68.99561	4.3
69.92009	4.4
71.01389	8.4
72.99309	1.0
73.02947	0.9
78.95930	1.2
79.95776	1.1
80.96516	1.4
85.02957	1.3
87.00877	1.5
89.02444	4.6
95.01367	1.0
96.96021	16.5
96.96970	1.3
97.02934	1.1
97.93177	1.0
98.20614	0.8
98.95605	2.9
99.92593	1.1
101.02475	4.6
112.98572	2.9
113.02490	1.9
114.93403	9.4
115.00389	1.3
116.92857	3.8
119.03468	1.2
125.02448	3.3
161.04617	1.1
163.56403	0.8
169.01375	1.7
171.10287	3.6
174.56047	0.8
183.13881	2.9
197.11864	2.3
199.09743	3.0
201.11328	1.8
207.10263	3.4
209.11777	4.9
210.12222	1.0
211.13429	8.6
225.11334	3.6
227.12830	2.8
232.52876	0.8
235.08220	1.4
253.09328	1.7
309.20721	2.2
325.20288	2.3
327.21820	3.6
343.21277	0.9
397.13547	7.4
415.14651	2.4
625.27429	1.0
679.67163	0.9
773.35815	1.1
808.67871	1.0
817.38251	1.4
835.39813	2.3
871.38062	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	870.4697
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98530	0.2
68.99572	0.2
71.01374	0.2
71.49622	0.2
79.95753	0.1
80.96542	0.1
89.02459	0.2
96.69717	0.1
101.02429	0.2
112.98590	0.1
116.92851	0.2
125.02452	0.1
131.45009	0.1
147.94919	0.1
171.10326	0.3
172.10637	0.2
211.13379	0.7
212.13760	0.2
255.23308	0.2
256.23862	0.1
256.90854	0.1
257.23938	0.1
267.70276	0.1
277.21793	0.4
278.22421	0.3
287.85080	0.1
379.12488	0.1
397.13657	0.3
398.13953	0.3
714.56299	0.1
894.39044	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98536	0.2
70.51086	0.6
71.01382	0.3
78.95928	0.4
79.95731	0.5
80.96539	0.6
89.02429	0.2
89.77998	0.2
95.98439	0.2
112.98582	0.3
116.92870	0.3
171.10284	0.3
209.11923	0.7
211.13376	0.3
245.82988	0.2
255.23520	0.3
277.21765	0.3
281.24985	0.3
293.00235	0.2
334.77460	0.2
397.13565	0.5
851.27356	0.2
856.78900	0.2
870.47296	1.0
871.49518	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98542	0.4
61.98830	6.5
67.19285	0.2
69.03452	2.2
69.46011	1.0
69.46417	0.5
71.01382	6.5
72.99302	0.4
73.02939	1.1
78.95898	1.0
79.95723	0.4
80.02638	0.4
80.91678	0.4
83.01379	0.7
83.05025	1.4
84.02173	2.9
85.02947	1.4
87.00868	0.9
89.02448	3.9
95.01397	0.7
95.04995	0.3
96.96017	8.9
96.96960	0.7
97.02945	2.1
97.06583	7.7
99.04538	0.7
99.92554	1.0
101.02444	4.8
102.05614	1.8
102.06184	0.2
102.60002	0.3
107.05015	0.3
109.06573	1.0
111.08152	5.3
113.02436	2.0
116.92860	6.1
117.92824	0.3
119.03531	1.3
123.08151	0.5
125.02444	0.9
125.09751	2.0
127.07693	0.4
127.11322	0.4
128.03572	1.4
137.09703	1.1
143.03462	0.5
145.05077	0.5
145.06136	0.5
146.04593	4.3
149.13362	0.4
151.11290	0.8
153.09149	0.6
153.12857	0.6
161.04581	2.9
163.11267	0.6
165.11549	0.3
165.12845	1.2
169.01353	0.5
169.12321	2.4
171.10272	13.0
172.10654	0.5
175.11288	1.0
177.12857	0.4
179.05545	0.9
179.10788	0.5
181.12286	0.9
183.10217	0.3
183.13910	0.8
183.93356	0.3
185.11792	1.2
191.10843	0.4
193.12329	10.9
194.12755	0.6
195.13916	0.4
197.11829	27.2
198.12192	1.1
199.13416	1.7
207.10205	0.5
209.11777	1.8
211.13385	9.4
212.13638	0.5
221.11844	1.0
223.13417	0.4
225.14948	15.4
226.15244	1.0
227.12854	1.1
235.08214	2.3
239.12869	0.4
243.15999	8.3
244.16382	0.4
247.20596	0.9
253.09280	26.5
253.14444	1.5
254.09592	0.9
263.20145	1.8
265.18076	0.4
273.18607	1.0
289.18066	1.2
291.19666	13.4
291.51376	0.3
292.19965	1.7
292.42401	0.3
293.21176	0.4
305.21265	0.4
307.19101	1.0
309.20703	50.7
310.21066	5.1
323.22260	0.8
325.20236	0.8
327.21756	0.5
341.23309	100.0
342.23666	10.7
357.22647	0.3
521.35083	0.4
537.67334	0.3
545.29736	1.1
577.32208	3.9
578.32721	0.9
616.43878	0.3
633.43744	5.8
634.44348	1.2
641.17706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98546	0.4
61.98834	6.4
69.03436	1.7
71.01380	6.4
72.99317	0.6
73.02929	1.5
78.95881	0.8
80.91651	0.4
81.03419	0.6
82.95348	0.5
83.01377	0.9
83.05014	1.7
84.02164	3.2
85.02940	1.2
87.00871	1.1
89.02448	4.9
95.01387	0.7
95.04999	0.6
96.96003	2.6
96.96969	0.6
97.02943	3.0
97.06596	7.1
98.20666	1.0
99.04517	0.7
101.02442	6.3
104.94633	0.4
109.06599	2.0
111.08170	8.1
113.02451	3.5
116.92884	0.9
119.03477	1.7
119.08638	0.6
121.10193	0.6
123.08205	0.6
125.02454	1.0
125.09725	2.5
127.07726	0.9
128.29382	0.4
135.08171	0.6
137.09705	1.3
137.16362	0.4
141.09128	0.4
143.03558	0.6
145.05089	0.6
145.06155	1.5
146.04533	1.5
151.11243	1.3
153.09164	0.6
153.12825	1.4
155.10754	0.6
161.04565	2.9
163.11220	1.2
165.12833	1.6
167.10672	0.9
169.01431	0.7
169.12343	4.1
171.10275	17.2
172.10617	0.6
175.11168	0.8
177.12839	0.8
178.00349	0.6
179.05606	1.0
181.12302	1.7
183.10239	0.6
183.13873	0.9
185.11852	1.1
191.14375	0.6
193.12337	9.6
194.12546	0.6
197.11829	45.7
198.12167	2.2
198.13713	0.4
199.13347	2.4
201.11215	0.4
209.11853	3.1
211.13370	10.2
212.13670	0.8
213.11296	0.6
221.11794	1.1
223.13333	0.7
225.11392	0.8
225.14963	13.0
226.15553	0.5
227.12782	1.9
229.39534	0.5
235.08195	4.0
235.13239	0.4
241.90025	0.5
243.15979	5.5
245.19046	0.8
247.20685	1.0
253.09283	31.0
253.14581	1.0
254.09608	1.3
258.01691	0.5
263.20090	2.7
265.14563	0.4
265.18057	1.1
273.18546	1.6
279.19336	0.4
289.17978	3.0
291.19675	20.2
292.20032	1.8
293.21301	0.4
305.17459	0.8
307.19070	2.5
309.20706	73.2
310.21024	6.1
323.18774	1.0
323.22324	1.4
325.20151	3.0
327.21750	2.4
341.23312	100.0
342.23645	10.3
357.22565	0.5
368.08292	0.4
433.20627	0.8
521.35052	0.5
528.28247	0.4
545.29773	2.5
577.32275	2.5
578.32758	0.6
633.43549	5.4
634.43964	1.2
662.57623	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	29.5
65.17685	1.7
68.99577	7.7
69.03445	6.3
69.30927	17.0
71.01376	42.0
73.02950	6.5
78.95901	3.8
80.02664	3.4
81.03448	7.3
83.01390	14.6
83.05022	7.1
84.02203	3.8
85.02953	10.0
87.00853	11.2
89.02445	22.1
95.01384	3.3
95.05014	6.1
96.96014	7.5
97.02943	13.1
97.06578	16.0
99.00877	2.6
101.02441	20.9
108.02147	2.1
109.06561	4.4
110.03783	2.1
111.00874	2.4
111.04545	2.2
111.08160	7.6
112.98556	8.7
113.02450	14.4
116.40329	1.7
119.03521	6.0
119.05001	2.3
119.08650	2.7
121.06576	2.9
123.04530	10.8
123.08151	7.4
125.02428	10.4
125.09730	32.9
126.90424	2.5
135.08150	5.5
137.09712	9.6
141.12894	4.0
142.02721	2.7
143.03482	3.9
149.06065	2.6
153.09151	3.0
155.10765	3.5
161.04538	8.0
162.10349	1.9
163.11279	21.5
165.09149	2.9
165.12819	5.8
167.10780	8.4
169.01402	7.7
171.10274	16.4
177.12869	3.4
179.05623	5.0
179.10747	2.5
181.12360	6.7
183.10315	2.5
183.13885	4.4
185.11823	31.4
187.09705	4.3
189.12854	2.2
191.10779	5.9
191.14413	20.1
193.12262	3.4
195.13972	2.5
197.11861	2.1
199.09544	2.1
207.10248	12.6
209.11830	80.1
210.12207	14.3
211.13416	55.0
212.13719	4.7
213.11349	3.0
217.15973	2.9
221.11775	3.3
223.13307	3.2
225.11348	12.1
227.12846	6.1
235.08203	8.9
237.11334	8.9
241.14500	17.5
245.19078	41.3
247.20631	4.2
253.09309	28.3
263.20135	5.9
271.16943	5.5
275.16470	1.9
277.21671	29.7
278.22006	11.4
287.16504	4.0
289.18088	100.0
290.18518	6.1
291.19656	53.8
291.22995	3.5
292.19910	2.8
293.21115	14.9
305.17590	4.0
307.19156	51.8
308.19470	5.3
309.20663	9.4
321.20590	3.3
323.18503	2.6
335.39035	2.2
341.23288	31.0
342.23676	4.3
355.51028	2.3
375.25412	9.8
379.12469	4.6
397.13458	23.8
398.13858	5.5
399.13965	3.0
415.14536	4.6
419.19348	2.4
469.05005	6.1
469.55579	2.5
885.34418	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	869.4901
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	30.5
67.01907	2.4
68.99561	28.1
69.03449	5.8
71.01383	42.8
71.49818	2.7
72.99314	3.5
73.02939	8.4
75.00865	3.1
78.95914	3.2
80.02660	4.4
80.96509	2.9
81.03437	5.3
83.01390	12.0
83.05037	11.5
85.02950	14.5
87.00870	7.2
89.02442	30.8
91.03987	2.4
93.03446	2.3
93.44788	2.1
94.27696	2.3
95.01411	5.2
95.05025	4.8
96.96040	3.5
97.02959	10.7
97.06597	23.7
99.00884	4.4
101.02439	34.9
106.04230	3.0
109.06580	7.5
111.00877	3.4
111.08160	6.4
112.98576	24.1
113.02458	17.6
116.92855	12.1
119.03494	7.8
119.08641	2.7
123.00867	3.3
123.04491	7.8
123.08171	5.6
125.02463	15.3
125.09721	18.1
126.90434	5.5
127.07616	2.4
133.10349	2.6
135.04478	2.4
135.08138	4.2
137.06070	2.7
137.09723	7.5
143.03441	4.0
145.05185	2.1
148.97975	2.2
149.09688	3.5
151.11269	9.9
153.12866	3.5
155.10800	4.2
161.04517	9.9
161.09749	4.3
163.11302	18.4
165.09138	3.4
165.12859	13.9
167.10745	4.6
169.01363	4.0
169.12279	6.3
171.10254	18.5
175.11136	2.2
177.12852	3.3
179.05583	6.4
179.10736	4.9
181.12383	13.6
183.13921	9.2
185.11809	13.1
191.10751	8.1
191.14409	8.6
193.12308	3.3
195.10220	2.3
197.11839	44.4
198.12009	2.9
199.13368	8.9
207.10223	12.3
209.11826	68.1
210.12216	12.0
211.13385	100.0
212.13689	5.6
215.12898	5.2
225.11311	17.1
227.12852	21.5
235.08160	7.3
237.11266	2.5
243.17542	3.4
245.19086	29.3
253.09235	21.9
261.18573	3.2
263.20114	8.3
271.16904	4.2
277.21710	65.7
278.22128	13.1
279.19553	5.3
279.22449	3.5
287.07703	2.9
287.16489	3.1
289.18100	58.1
290.18402	6.3
291.19635	23.5
292.19949	3.6
293.21179	3.5
305.17459	8.4
307.19131	38.9
308.19556	4.2
309.20728	13.7
312.29358	3.0
341.23096	4.3
377.16162	2.2
379.12473	7.8
397.13547	46.0
398.13849	6.5
399.13766	2.5
411.04889	2.5
415.14764	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	868.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
62.98549	0.2
63.99242	0.1
68.62508	0.1
69.97000	0.2
69.97392	0.3
71.01393	0.6
79.95745	0.2
80.96535	0.3
92.04531	0.1
96.96030	0.3
101.02492	0.1
103.77105	0.1
115.00437	0.1
123.00895	0.1
125.02454	0.2
145.63651	0.1
169.01450	0.4
171.10281	0.2
182.99997	0.1
201.11371	0.2
209.11896	0.3
225.11406	0.2
301.00156	0.2
739.64740	0.1
868.41187	0.3
869.41626	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5063
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98524	0.1
62.99244	0.1
69.88616	0.4
80.96525	0.3
81.26419	0.1
98.20570	0.1
120.09512	0.1
331.32208	0.1
455.04285	0.1
868.51196	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98539	0.2
68.99554	0.1
71.01399	0.3
78.95908	0.1
80.96504	0.1
85.02962	0.1
87.00898	0.1
89.02428	0.3
96.96037	0.1
97.02939	0.1
98.20670	0.1
101.02429	0.3
113.02464	0.2
119.03526	0.1
125.02463	0.2
139.26036	0.1
142.11505	0.1
152.99594	0.1
160.31532	0.1
161.04578	0.1
171.10312	0.1
183.13989	0.1
192.96101	0.1
205.85713	0.1
211.13383	2.2
235.08141	0.1
255.23262	0.1
265.12024	0.1
272.55060	0.1
277.21707	1.4
379.12546	0.2
397.13428	0.9
415.14731	0.1
436.93445	0.1
470.86108	0.1
869.47650	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	869.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	6.2
69.03459	2.6
71.01382	93.8
72.01688	1.6
72.99308	2.4
73.02930	6.0
73.63655	1.1
77.98056	1.2
78.95901	1.3
80.02683	1.5
80.96535	1.9
81.03460	3.6
83.01389	3.8
83.05014	6.8
85.02956	5.8
87.00891	6.8
88.04035	1.4
88.98814	1.3
89.02445	24.1
93.03429	1.8
95.01393	2.9
95.05014	1.4
97.02942	6.9
99.00886	3.8
101.02435	17.5
102.05627	1.6
107.01406	1.6
109.02936	1.5
109.06602	6.6
110.03748	1.3
111.00915	1.3
111.08134	1.3
113.02446	11.7
113.61987	1.2
119.03493	5.5
121.02904	1.3
123.00856	2.7
125.02448	18.9
125.09718	5.0
127.11295	3.5
132.03017	3.8
135.08122	2.6
139.00417	1.7
143.03471	2.4
146.04602	3.7
149.81088	1.2
151.00320	1.5
155.10739	2.5
161.02405	1.2
161.04558	5.0
163.11295	8.6
165.12839	2.7
166.99840	1.3
168.00612	1.8
169.01404	11.5
170.12852	1.4
171.10266	45.0
179.05634	6.1
181.12315	3.0
183.02925	3.4
197.11832	2.9
199.09782	5.7
201.11320	54.4
202.11662	3.6
207.10265	23.2
208.10609	1.9
209.11823	100.0
210.12119	7.4
215.12946	2.0
221.06642	2.3
225.11311	28.6
226.11728	2.3
227.12886	16.0
228.13228	1.4
235.08200	4.8
243.12309	4.3
253.09221	1.4
300.99902	5.5
305.08954	2.5
379.12561	3.5
397.13480	34.4
398.13919	2.7
415.14609	13.3
417.22861	1.6
468.54639	1.5
567.23523	1.4
605.24677	2.3
623.25323	4.9
769.08264	2.9
797.37494	1.6
807.36169	3.8
815.37836	1.5
833.38257	4.4
834.37805	1.8
851.38672	4.6
852.39532	1.9
869.40045	8.5
870.40430	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	869.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	41.9
70.64718	11.6
71.01381	30.6
72.85304	3.8
73.02961	6.0
82.05998	3.8
85.02964	9.8
87.00879	9.2
89.02454	18.5
97.02927	5.1
101.02457	13.0
113.02455	10.9
116.92879	5.8
119.03507	6.9
125.02460	14.7
130.44243	3.8
161.04625	7.0
169.01218	4.9
179.05602	7.1
183.13921	8.4
209.11815	37.9
211.13396	100.0
235.08199	10.5
243.66548	4.0
253.09177	5.3
277.21744	52.6
279.23221	23.9
289.17969	5.3
307.19318	6.9
379.12473	7.7
392.00519	5.0
397.13559	50.2
415.14767	10.5
441.86966	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	867.511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	28.7
69.03465	2.2
71.01384	7.2
71.05054	0.5
71.50655	0.6
72.69873	0.3
72.99314	0.6
73.02928	1.8
75.00893	0.6
78.85278	0.4
78.95909	0.5
79.95733	1.3
80.02663	0.4
80.96526	1.9
81.03465	1.4
83.01409	1.3
83.05033	1.1
84.02164	3.2
85.02950	1.5
87.00891	1.3
89.02442	5.1
91.04015	0.3
94.98101	0.6
95.01396	0.6
95.05016	1.3
96.61873	0.4
96.96017	1.3
97.02943	3.9
97.06589	8.6
99.00888	0.5
99.04520	1.2
101.02446	5.6
109.06605	1.4
111.08160	0.9
113.02458	3.3
119.03471	1.8
119.08638	0.9
121.06590	1.0
121.10228	0.4
123.04526	2.3
123.08168	1.1
125.02450	1.0
125.06097	0.7
125.09718	4.8
127.11304	0.5
135.08139	1.0
137.09695	2.7
139.11375	0.4
141.12851	0.7
145.05054	0.9
149.09702	0.9
151.11259	1.0
161.04539	2.6
161.09662	0.5
163.11301	4.2
164.11595	0.5
164.98541	0.4
165.12843	1.9
167.10815	0.5
169.01416	0.9
171.10268	16.0
172.10590	0.7
175.11266	0.7
177.12868	1.0
179.05634	1.2
181.12364	1.1
185.11810	5.1
191.10777	0.7
191.14394	5.3
193.12326	8.5
194.12679	0.5
197.11833	1.3
199.13248	0.4
201.11313	0.6
207.10289	2.9
207.13966	0.5
209.11798	14.3
210.12183	0.9
211.13428	3.8
217.15863	0.6
221.11809	0.8
221.15475	0.7
223.13354	0.5
225.00661	0.9
225.11539	3.0
225.14951	11.7
226.11986	0.5
227.12915	0.5
227.18054	0.4
231.40459	0.5
235.08221	4.0
237.11353	3.6
238.11879	0.4
241.14377	0.5
243.15935	5.8
243.18208	0.4
245.19087	9.6
246.19374	0.8
253.09274	20.9
253.14534	0.9
254.09685	1.1
258.89044	0.4
263.20123	3.0
271.17084	1.4
277.21820	1.2
281.21313	0.5
289.18088	50.9
290.18460	4.7
291.19699	2.4
294.29108	0.4
305.17853	0.5
307.19138	48.3
308.19482	4.5
309.20523	2.7
323.22260	1.3
325.20178	0.6
341.23300	100.0
342.23636	10.3
397.13385	0.9
415.14484	0.5
445.20529	0.5
451.98550	0.4
525.27069	0.7
543.28119	1.8
577.32147	1.8
598.34119	0.4
613.41083	0.8
631.41754	1.8
632.41925	0.5
682.21667	0.4
697.31152	0.8
754.94440	0.4
762.33313	0.4
867.51453	1.8
868.51312	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	36.8
63.66539	0.5
64.91914	0.4
66.24497	0.4
67.01866	0.4
69.03457	1.9
70.54639	0.4
71.01015	0.5
71.01389	8.2
72.99294	0.6
73.02950	1.7
78.23419	0.5
78.95903	1.0
79.95732	2.0
80.96516	3.1
81.03446	1.9
83.01390	1.5
83.05030	2.6
84.02150	2.1
85.02953	1.9
87.00876	1.4
89.02451	4.7
93.03425	0.6
94.98106	0.8
95.01385	1.0
95.05027	1.0
96.96024	8.1
96.96996	1.1
97.02951	2.3
97.06596	11.0
98.20668	0.9
99.04503	0.9
101.02444	6.9
106.04250	0.6
109.06586	1.3
110.03706	0.5
111.00925	0.6
111.08178	0.8
113.02460	3.4
116.35260	0.5
116.92854	1.2
119.03506	0.8
119.08643	1.0
121.06606	1.2
123.04523	1.9
123.08144	1.6
125.02438	1.5
125.09736	5.0
127.11240	0.5
129.75725	0.4
135.08150	0.8
137.09691	3.2
137.34961	0.4
141.12852	0.6
143.03499	0.8
145.05075	0.8
149.13295	0.6
151.11270	1.0
161.04567	2.6
163.11266	4.9
165.12851	2.4
167.10774	0.5
169.01413	1.0
169.12309	0.6
171.10254	11.2
175.11266	1.7
177.12857	1.0
179.05605	1.2
179.10825	0.5
181.12335	1.9
185.11865	4.2
186.94984	0.5
191.10812	0.9
191.14398	4.7
193.12294	10.6
194.12660	0.5
197.11746	1.2
207.10229	2.8
209.11816	16.8
210.12230	1.3
211.13399	4.1
217.15965	0.8
221.11920	0.6
221.47569	0.4
225.00667	0.8
225.11609	2.1
225.14938	15.2
226.15259	1.2
227.12921	1.4
235.08232	5.1
237.11342	3.2
239.12752	0.5
243.15952	7.6
244.16281	0.5
245.19077	9.2
246.19383	0.6
247.17044	0.5
253.09280	21.6
253.14450	1.8
254.09554	1.0
263.20172	5.3
271.17017	1.7
277.21939	0.5
281.14203	0.4
281.21225	0.8
287.16656	0.6
289.18091	46.9
290.18411	4.1
291.19635	1.5
292.19485	0.6
293.21204	0.7
300.99500	0.5
307.19135	48.5
308.19440	5.5
309.20554	1.3
323.22186	1.1
341.23306	100.0
342.23669	10.6
397.13235	0.5
445.20630	1.8
525.27087	1.1
533.34613	0.6
543.28467	2.7
577.32581	1.2
613.41370	1.1
631.41949	2.0
697.28644	0.5
769.43463	1.2
867.52124	2.8
868.48621	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98524	0.2
62.99235	0.1
63.98509	0.1
68.06252	0.1
71.01388	0.4
73.20261	0.1
78.95928	0.1
79.95719	0.1
81.08034	0.1
94.98135	0.2
96.96013	0.1
101.02482	0.1
108.31399	0.1
110.82837	0.1
171.10310	0.3
190.92386	0.1
201.11206	0.1
207.10312	0.2
209.11803	0.2
635.65552	0.1
735.55206	0.1
773.94495	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4397
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75574	0.1
61.98833	100.0
66.45266	0.1
71.01387	1.5
71.34365	0.1
71.34708	0.2
73.02946	0.3
78.95911	0.2
79.95705	0.2
80.02670	0.1
80.20123	0.1
80.96529	0.2
81.03501	0.2
83.01402	0.2
83.05045	0.4
85.02972	0.3
87.00867	0.3
89.02447	0.9
94.98078	0.1
95.56915	0.1
96.91200	0.1
97.02966	0.3
99.92579	0.2
101.02443	0.6
113.02423	0.5
116.92861	2.1
125.02475	0.6
142.23334	0.1
143.03516	0.2
161.04607	0.2
163.11357	0.3
169.01450	0.2
171.10378	0.3
177.75311	0.1
179.05653	0.2
181.12410	0.1
187.20728	0.1
207.10336	0.3
209.11832	6.4
211.13374	0.2
219.01108	0.1
225.11307	0.2
235.08432	0.2
253.09360	0.2
255.23351	0.1
277.21722	3.5
285.85883	0.1
291.78403	0.1
305.08713	0.1
307.19226	0.2
330.03925	0.1
341.23459	0.4
373.32953	0.1
379.12674	0.4
397.13440	2.0
415.14792	0.3
469.02435	0.1
607.26208	0.1
640.32788	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98537	0.2
65.53394	0.2
70.72495	0.4
71.01405	0.3
78.95897	0.5
79.95744	0.3
80.96510	1.4
94.98071	0.2
116.92889	0.2
171.10239	0.2
211.13396	0.5
225.00766	0.4
255.23219	0.3
277.21768	0.7
278.22223	0.4
291.19806	0.6
292.19989	0.3
531.99707	0.2
733.72058	0.2
781.41528	0.4
866.50287	1.3
867.48694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
63.96240	0.6
71.01392	1.3
78.98599	0.9
79.95727	2.7
80.96518	11.8
82.96106	0.5
85.02952	0.6
87.00903	0.4
94.98094	3.1
98.19849	0.6
101.02478	0.6
103.75444	0.4
106.98032	0.5
122.97623	0.8
125.02470	0.4
132.98103	0.3
134.28699	0.4
134.97575	0.8
148.99165	1.0
152.98605	0.9
164.98685	1.8
206.99693	0.4
225.00720	2.6
226.01057	0.7
255.23523	0.4
267.28940	0.4
463.86990	0.3
577.03485	0.4
860.67493	0.4
865.49072	0.5
866.50098	13.5
867.50488	4.1
876.92554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	1.2
62.23896	0.6
71.01380	7.5
73.02929	1.2
76.69487	0.7
80.02656	1.1
81.03453	1.8
83.05028	4.9
84.02170	1.3
85.02951	2.6
87.00878	2.0
89.02439	8.0
93.03497	0.7
97.02952	0.9
98.19865	1.3
101.02447	4.7
109.06547	0.7
113.02456	3.7
119.03505	2.5
123.87844	0.7
125.02441	2.3
131.03444	0.8
135.08119	0.8
143.03577	0.9
161.04558	1.6
163.11284	4.2
165.12848	2.5
171.10202	1.4
179.05568	3.0
189.44287	0.7
191.10815	1.4
209.11816	100.0
210.12152	7.3
221.06757	0.8
227.12878	17.4
228.12955	0.8
228.96719	0.7
229.62321	0.7
235.08200	2.0
259.15540	0.9
287.07623	1.2
297.10742	0.7
305.08752	0.9
347.15677	0.7
353.09991	0.6
379.12292	3.0
397.13525	20.1
398.13901	1.3
415.14691	5.8
420.38046	0.8
435.39459	0.7
563.07422	0.7
607.26239	1.8
835.39465	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	867.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	47.5
71.01386	14.4
72.72339	1.1
72.99277	2.1
73.02947	2.9
78.95880	2.4
79.95724	1.4
80.96512	3.2
81.03440	1.3
83.01382	2.3
85.02940	3.8
87.00871	4.3
89.02448	14.3
95.01375	1.6
97.02970	3.5
98.20737	2.8
101.02442	13.2
113.02431	6.8
116.92860	2.2
119.03486	4.3
125.02423	5.6
125.09668	1.3
141.01648	1.1
143.03491	2.2
161.04526	4.9
171.10271	100.0
171.73082	1.2
172.10583	5.1
179.05629	3.8
208.88428	1.2
229.16757	1.8
235.08278	5.9
253.09367	1.5
255.23288	54.4
256.23608	5.3
277.21515	2.6
287.07648	3.8
305.08710	2.0
323.09851	1.9
328.47226	1.5
356.11005	1.2
379.12521	20.2
397.13522	38.8
398.13696	2.4
415.14954	6.6
551.23438	5.5
569.24420	4.4
635.36121	1.8
653.37756	3.2
691.37933	1.6
783.41827	2.8
867.45496	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	867.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	36.7
69.03439	1.4
70.63538	0.9
71.01379	15.9
71.02009	0.9
72.99306	1.6
73.02936	4.5
75.00859	1.1
78.95886	5.0
79.95720	1.0
80.96507	2.8
81.03450	1.4
83.01385	2.8
85.02949	3.5
87.00877	5.5
89.02441	17.5
95.01382	1.7
97.02950	2.6
98.19826	2.0
101.02435	14.7
111.04491	1.0
113.02445	7.0
116.92856	1.1
119.03484	3.6
125.02441	8.2
125.09710	1.1
127.11258	2.9
143.03502	3.1
152.99580	2.7
161.04564	4.6
164.25655	1.2
171.10269	100.0
172.10596	3.4
179.05637	4.5
209.11833	1.2
211.13374	2.4
221.06628	1.9
229.14447	1.8
229.65883	1.3
235.08231	6.1
253.09235	1.1
255.23296	71.4
256.23569	7.3
259.08145	1.3
269.24774	1.2
273.58615	1.0
277.21613	2.7
287.07660	3.4
293.21167	2.0
295.22754	1.9
297.24228	1.2
305.08789	2.2
330.23795	1.2
349.12573	1.1
361.11353	1.0
379.12506	19.5
380.12753	2.6
397.13501	41.1
398.13828	4.2
415.14481	7.7
417.65900	1.0
532.42761	1.0
551.23169	2.9
569.24744	2.4
635.36066	2.7
653.37628	5.4
722.46722	1.4
783.42432	1.8
792.52997	1.2
793.54181	7.5
794.50562	1.8
867.45605	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	865.5319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	50.8
63.96225	1.9
69.63175	9.0
71.01387	10.7
73.02924	3.0
78.98583	7.0
79.95729	18.5
80.96517	95.2
85.02946	4.2
87.00861	4.0
89.02435	2.9
94.98095	19.9
96.96002	2.5
97.00982	1.4
97.02949	3.2
97.06522	1.6
98.85241	1.4
101.02438	6.2
106.98074	5.0
111.08128	5.3
113.02432	3.7
121.46696	1.5
122.97539	3.4
125.02418	5.0
125.60316	1.6
134.97543	5.2
148.99147	9.0
152.98596	5.6
161.04601	3.1
164.98643	13.7
169.12331	3.3
180.22166	2.0
197.11838	33.3
197.13586	3.5
199.13380	2.5
206.99684	3.0
211.13298	5.4
225.00739	25.3
235.08258	8.3
253.09274	12.8
255.23381	1.9
263.20279	2.7
277.21713	92.9
278.22067	7.5
285.73999	1.6
291.19647	16.2
305.48825	1.6
309.17221	2.3
309.20718	37.7
310.21069	3.4
344.15039	1.6
394.16922	1.7
524.25952	1.8
545.29968	1.9
609.25415	2.2
694.33966	1.6
865.49854	100.0
866.50293	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	866.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98531	0.2
66.25722	0.1
70.98254	0.2
71.01380	1.0
74.55930	0.1
78.95928	0.3
80.96526	0.1
87.80914	0.1
88.98830	0.1
89.02444	0.2
96.96026	0.2
101.02449	0.1
103.15485	0.1
109.06626	0.2
110.20601	0.1
111.00945	0.1
125.02478	0.2
135.79996	0.1
148.47632	0.1
171.10323	0.4
207.10335	0.3
209.11832	0.6
225.11391	0.4
253.09344	0.2
289.18155	0.1
305.17618	0.2
341.23480	0.2
394.25253	0.1
397.13870	0.1
759.66541	0.1
866.50653	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99316	0.1
61.98831	100.0
62.98527	0.2
71.01383	0.7
72.99322	0.3
75.47350	0.1
78.91877	0.1
78.95917	0.4
79.95748	0.5
80.96523	0.3
87.00889	0.1
88.98815	0.2
89.02445	0.1
94.98067	0.1
95.95303	0.1
96.96018	1.1
97.02949	0.1
98.20734	0.2
101.02454	0.2
109.06645	0.1
113.02480	0.1
121.02994	0.1
125.02438	0.2
167.16510	0.1
169.01456	0.3
171.10284	0.3
181.12387	0.1
197.11775	0.1
201.11308	0.2
203.16006	0.1
207.10306	0.4
209.11867	0.8
211.13426	0.2
225.11392	0.3
300.99881	0.1
397.13748	0.2
455.61368	0.1
677.51965	0.1
704.35052	0.1
797.63495	0.1
867.40228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98537	0.2
70.01713	0.1
70.03873	0.4
71.01385	0.2
72.99309	0.1
75.00888	0.1
75.40364	0.1
78.95928	0.2
79.95728	0.2
80.96526	0.2
87.15578	0.1
93.96489	0.1
96.45134	0.1
96.96018	0.8
96.96995	0.1
99.30877	0.1
121.02915	0.1
125.02457	0.1
171.10260	0.1
207.10359	0.2
209.11844	0.3
210.69595	0.1
211.13347	0.1
225.11465	0.2
227.12868	0.1
251.08252	0.1
252.55078	0.1
253.55948	0.1
341.23584	0.2
397.13745	0.2
844.50305	0.1
867.41016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.499
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	9.8
63.96232	2.1
69.45060	4.2
69.69791	0.6
71.01380	9.8
72.99297	0.6
73.02944	2.4
78.95921	0.7
78.98599	8.5
79.95348	0.4
79.95739	19.9
80.96517	90.3
82.96119	0.8
85.01051	0.6
85.02956	2.8
87.00887	3.5
89.56000	0.7
94.98084	20.0
96.56209	0.7
96.96022	1.4
97.02962	1.7
99.00858	0.9
101.02444	2.6
106.98091	3.6
119.28661	0.6
122.97590	4.1
125.02455	3.5
127.03981	1.0
134.97575	7.4
136.99126	1.7
148.99129	8.4
152.98640	7.4
164.97311	1.2
164.98628	15.7
179.00243	0.6
201.81557	0.8
206.99677	3.1
209.44547	0.7
225.00748	26.2
226.01163	1.0
227.73560	0.7
255.23393	1.5
283.04959	1.1
365.36600	0.7
380.87561	0.8
537.27545	1.5
593.49158	0.9
609.26135	1.1
616.39087	0.7
697.13568	0.7
756.98029	0.7
767.41614	1.4
865.49835	100.0
866.33527	1.6
866.50116	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	865.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44212	1.4
61.98833	18.0
69.03477	2.0
70.01964	6.2
71.01387	26.4
72.99328	2.2
73.02968	3.6
75.00888	3.6
78.25153	1.4
78.95937	1.8
80.02682	3.4
81.03474	4.8
83.01390	3.2
83.05023	11.6
83.31894	1.3
85.02969	8.0
87.00880	7.2
89.02445	19.1
90.79918	1.5
95.01380	1.9
95.05047	1.8
96.96024	2.1
97.02980	11.3
97.06625	1.8
99.00890	2.4
100.08059	1.4
101.02449	13.7
107.05147	1.6
109.02949	1.9
109.06593	26.7
113.02454	7.2
115.00394	3.4
119.03489	4.8
121.02986	2.1
121.06558	1.6
125.02444	8.9
125.09709	2.4
126.90413	2.3
129.01949	5.2
131.03561	1.9
135.03001	4.7
135.08153	4.9
136.05328	2.1
142.02702	2.8
143.03589	1.6
161.04567	3.7
161.09723	3.0
162.10144	1.3
163.11301	20.0
165.12794	2.0
169.01419	4.3
171.10243	3.5
175.02522	4.9
177.82126	1.7
179.05624	4.2
181.12378	4.2
185.11884	1.8
189.09193	1.8
191.05562	1.8
191.10789	1.6
197.11853	3.6
201.11339	1.8
207.10262	62.1
207.12227	3.3
208.10582	4.3
209.11827	100.0
210.12202	6.7
211.13382	6.8
219.56322	1.4
225.11328	36.9
226.11882	1.7
227.12877	13.7
235.08128	2.5
249.11304	2.2
255.23520	1.9
379.12424	3.8
397.13522	29.5
398.13464	2.3
399.22028	1.6
415.14523	8.3
417.22711	3.8
605.24255	4.8
623.25336	8.0
751.15869	1.8
797.35950	16.4
798.36487	4.3
815.36884	15.5
816.37366	3.2
833.38263	34.2
834.37970	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	864.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98535	0.2
71.01368	0.3
74.35444	0.2
77.07440	0.1
78.95911	0.6
85.12036	0.1
87.00905	0.2
88.98846	0.7
89.02441	0.2
89.90881	0.1
96.96008	0.7
97.02961	0.1
101.02431	0.2
123.00860	0.2
125.02483	0.4
169.01463	0.5
171.10278	0.2
197.11809	0.3
207.10265	0.3
209.11836	0.5
211.13451	0.6
223.13548	0.2
225.11491	0.2
255.23253	0.2
273.17099	0.4
321.14325	0.1
331.45575	0.2
393.05478	0.1
397.13242	0.4
469.05142	0.2
864.50745	0.3
865.39203	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01694	0.4
71.01371	3.0
73.02929	0.8
82.65159	0.3
83.01379	0.8
85.02957	1.6
85.23440	0.3
88.48565	0.3
89.02448	1.0
99.00864	0.4
101.02440	2.2
103.27806	0.3
107.01401	0.4
111.12627	0.3
113.02438	1.6
125.02433	0.7
148.86235	0.3
151.00365	1.7
159.02995	0.3
161.04538	1.8
163.00330	0.5
168.82794	0.4
174.03180	0.4
182.04008	0.3
183.02965	1.2
183.04520	0.6
187.03986	0.3
211.04031	0.6
227.03490	30.2
228.03853	2.1
229.05078	1.0
229.23871	0.3
255.02974	44.7
256.03568	6.3
257.04385	1.2
257.96161	0.3
284.03256	52.4
285.03931	16.1
286.04416	1.3
313.16251	0.4
327.05060	0.6
331.17520	4.2
332.17926	0.6
373.18628	7.9
374.19083	0.7
447.09296	100.0
448.09631	11.8
637.55719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.424
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99313	0.3
61.98831	100.0
71.01399	0.8
71.50127	0.3
72.76237	0.2
72.99313	0.5
75.00880	0.3
78.95921	0.6
88.98821	2.2
96.96037	0.7
101.02467	0.4
124.50053	0.2
125.02432	0.6
155.74222	0.2
169.01445	0.5
171.10283	0.5
207.10202	0.4
209.11858	0.9
210.12085	0.3
211.13371	0.6
215.04004	0.2
283.15674	0.2
341.23395	0.4
343.25226	0.3
351.23560	0.3
397.13571	0.4
458.04626	0.2
602.24530	0.2
615.18890	0.2
833.15259	0.2
865.39996	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5006
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01692	0.3
61.98818	0.8
68.99815	0.3
69.03459	0.5
69.45809	0.7
69.46217	0.5
71.01381	12.9
72.99300	1.3
73.02946	1.8
75.00867	0.4
77.07989	0.2
78.95904	0.6
80.02674	0.9
81.03458	2.0
83.01391	1.9
83.05025	5.4
84.02162	0.7
84.41806	0.2
85.02944	3.3
87.00870	3.0
89.02443	11.6
90.02818	0.2
93.03436	0.5
95.01411	1.0
95.05040	0.9
97.02935	2.5
98.20614	0.4
99.00878	0.8
99.04517	0.2
101.02440	10.3
102.02810	0.3
103.04041	0.3
109.02945	0.4
109.06593	0.5
111.00879	0.3
111.04509	0.4
113.02447	6.4
116.92855	0.2
119.03492	3.2
123.00927	0.4
124.01649	0.3
125.02445	5.7
125.06071	0.6
126.02769	0.3
127.04076	0.3
131.03508	0.7
133.05072	0.2
135.08156	0.8
139.04019	0.5
141.01973	0.4
143.03503	1.9
153.12703	0.2
161.04553	3.5
163.11284	3.7
164.11595	0.4
165.12827	2.7
167.03506	0.4
169.01442	0.2
169.05043	0.2
179.05611	4.1
181.12277	0.5
188.05772	0.2
191.10857	0.9
199.06050	0.7
199.13411	0.8
201.11487	0.3
207.10223	0.4
209.11816	100.0
210.12155	6.7
217.07138	0.5
221.06660	1.4
223.13451	0.3
225.11253	0.9
226.11668	0.3
227.12881	13.7
228.13258	0.6
233.87196	0.2
235.08188	4.5
236.08592	0.3
245.06737	0.2
251.12906	0.7
253.09227	0.9
255.23280	43.5
256.23621	4.0
259.08102	0.4
263.07803	0.4
269.06479	0.2
269.24857	0.3
287.07706	1.7
301.09097	0.3
305.08807	1.8
323.09833	1.1
379.12451	6.1
380.12842	0.6
397.13483	29.6
398.13846	2.6
415.14575	7.2
415.18839	0.1
416.15036	0.4
453.86490	0.2
589.25049	0.5
607.26276	1.7
625.27051	0.5
635.35974	0.3
653.37305	0.7
690.58936	0.2
809.01245	0.2
863.49469	1.0
864.50348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13078	0.4
69.03460	0.9
69.49662	2.6
70.82867	0.3
71.01381	16.0
72.99296	1.0
73.02942	2.2
75.00877	0.6
79.21228	0.3
80.02672	1.5
81.03459	2.0
83.01389	2.2
83.05021	5.3
84.02152	0.9
85.02954	4.0
87.00871	3.8
89.02448	14.4
95.01369	1.4
95.05003	0.8
97.02943	3.0
98.19901	0.7
99.00860	0.6
101.02444	11.2
103.04040	0.4
109.02957	0.5
111.04523	0.6
112.93493	0.4
113.02448	7.0
119.03499	4.1
124.01683	0.5
125.02439	5.7
125.06083	0.4
125.09679	0.5
131.03502	0.7
135.08174	0.8
143.03514	2.3
148.04225	0.5
152.45564	0.4
161.04530	3.3
163.11272	3.7
165.12851	2.3
171.38705	0.4
179.05614	3.3
181.12318	0.9
191.10748	0.8
209.11819	100.0
210.12166	6.3
217.07187	1.0
221.06647	1.1
227.12872	11.5
228.13292	0.9
235.08223	5.3
236.08688	0.5
251.12756	0.6
253.09360	1.0
255.23289	53.4
256.23651	5.3
259.07956	0.4
277.09311	0.7
287.07816	1.8
305.08704	2.1
323.09726	0.9
361.11374	0.5
379.12396	5.9
380.12878	0.4
397.13492	36.1
398.13947	3.5
415.14545	7.1
416.14868	0.8
447.14572	0.4
577.53424	0.4
589.24982	0.8
607.26215	0.6
653.37628	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	863.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63647	0.2
63.13247	0.2
69.34662	1.7
71.01383	0.8
72.79238	0.2
79.47279	0.2
89.02458	0.5
98.19854	0.4
101.02408	0.4
108.02228	0.3
119.05008	0.7
120.38750	0.2
121.02960	0.7
122.03728	4.4
124.01655	0.6
125.02438	0.4
135.04532	2.3
136.01653	2.2
137.06081	79.6
138.06406	2.9
145.02948	0.3
159.47214	0.3
163.04002	24.9
164.04338	1.1
179.07121	0.4
179.95564	0.2
180.22987	0.3
181.05057	100.0
182.05382	4.5
223.06136	0.5
343.10306	60.5
344.10663	5.0
458.81476	0.3
519.24835	0.4
718.89960	0.3
732.70837	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
61.58403	2.1
61.98836	24.5
68.99553	5.8
69.03441	3.2
71.01380	100.0
71.49983	3.0
71.50667	1.8
72.99316	3.0
73.02943	4.1
78.95901	5.3
80.02671	1.9
80.96516	1.9
83.01359	3.0
83.05035	4.8
84.02179	1.8
85.02963	2.1
87.00861	3.4
88.79503	1.7
88.98784	4.3
89.02443	6.1
95.05003	2.8
97.02943	4.8
97.06557	3.7
99.00880	3.1
101.02428	7.4
105.01939	7.4
109.06593	19.4
110.03650	1.6
112.98566	7.1
113.02463	3.9
121.06576	2.3
123.08162	2.4
125.02441	7.2
125.09704	6.8
135.08160	2.4
158.42972	1.8
161.04550	2.4
163.11279	13.7
169.01390	5.3
171.10269	18.1
179.10764	2.2
181.12303	3.7
183.13875	6.5
185.11795	3.4
187.09761	2.5
189.09210	2.7
197.11830	3.2
199.09669	2.2
199.13242	2.9
201.11302	10.0
207.10248	51.6
208.10674	3.0
209.11836	21.3
211.13380	93.1
212.13721	7.5
215.12859	2.4
223.09766	3.1
225.11319	35.6
227.12924	3.8
235.08147	6.9
253.09258	11.1
255.23260	7.4
373.23810	2.8
383.22269	2.2
391.24963	2.4
397.13553	3.8
401.23306	4.6
419.24338	2.4
443.19107	2.4
447.22354	2.7
461.20218	9.9
495.11172	1.9
637.32349	12.6
638.32819	2.9
655.33264	15.8
656.33887	3.3
673.34882	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	863.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	2.1
63.96231	1.8
67.21120	0.8
69.03453	0.9
71.01387	9.1
73.02956	2.2
74.32731	0.8
78.95895	3.9
78.98605	9.4
79.95741	26.0
80.96522	100.0
81.95309	1.0
82.96093	3.3
85.02964	4.2
87.00880	3.5
94.98091	24.4
96.95998	2.3
96.96960	1.2
96.97656	1.0
97.02963	1.9
99.00882	1.2
101.02428	3.3
106.98097	5.4
122.97579	3.7
125.02452	4.5
134.97594	6.3
136.99129	1.9
148.99146	6.7
152.98616	8.0
152.99644	1.2
154.70277	0.8
164.97324	1.3
164.98630	14.5
174.99390	0.7
196.33566	0.7
197.11754	1.0
206.99672	3.5
225.00725	25.8
226.01274	0.9
227.00238	1.2
241.01089	1.3
252.09869	0.9
255.23239	3.0
255.96854	0.8
283.04810	1.4
292.24789	0.8
537.27319	1.6
607.24268	1.9
765.40900	1.7
863.48260	93.2
864.48676	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	863.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
64.39998	0.3
69.03465	1.4
69.69341	1.2
69.69747	0.6
71.01389	14.9
72.99305	1.0
73.02954	2.7
75.00871	0.6
80.02671	0.8
81.03466	1.6
83.01395	1.9
83.05036	5.0
83.32106	0.3
84.02180	0.8
85.02953	3.7
86.35716	0.3
87.00881	3.7
89.02452	14.4
93.70055	0.3
95.01389	1.5
95.05037	0.9
97.02950	2.3
98.19927	0.3
99.00880	1.2
101.02453	12.3
102.02827	0.4
109.02940	0.4
109.06583	0.4
111.04521	0.6
113.02456	6.7
119.03502	3.7
120.16439	0.3
125.02460	5.9
125.06062	0.5
131.03539	0.7
135.08214	0.8
139.03996	0.4
143.03563	2.4
157.55496	0.3
161.04567	3.3
163.11295	3.8
165.12878	2.6
167.03510	0.5
169.05156	0.4
179.05624	3.2
181.12276	0.6
191.10797	0.6
199.06091	0.8
204.54871	0.4
207.10223	0.4
209.11833	100.0
210.12201	6.7
217.07175	0.6
221.06645	1.0
227.12892	13.8
228.13206	0.8
235.08221	5.3
237.84607	0.4
245.06639	0.4
251.12941	0.7
253.09265	1.4
255.23300	56.3
256.23627	4.7
259.08243	0.5
263.07776	0.6
269.24963	0.6
277.09305	0.4
287.07632	2.1
305.08847	2.2
323.09833	1.0
361.11560	0.4
379.07520	0.4
379.12466	8.7
380.12646	0.7
397.13513	41.3
398.13824	3.9
415.14563	9.1
415.19846	0.7
416.14859	0.4
607.26196	1.1
653.37939	1.5
761.85272	0.4
821.92499	0.4
863.49927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4854
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	1.8
69.03446	2.0
71.01382	27.5
72.99294	3.1
73.02943	4.6
75.00848	1.0
80.02662	1.6
80.96565	0.8
81.03453	3.5
83.01388	3.3
83.05027	4.0
85.02941	6.6
87.00866	6.6
89.02443	23.1
92.53120	0.8
95.01381	2.1
95.05001	1.0
97.02944	14.2
98.20665	2.0
99.00878	4.0
101.02445	18.1
101.03105	1.3
109.02962	1.1
109.06590	31.1
110.03723	1.2
111.04558	0.9
113.02443	9.5
116.92831	2.0
119.03491	5.0
121.06583	2.0
123.00901	0.9
125.02438	7.2
125.09752	1.0
131.03505	1.6
133.05028	1.1
135.08189	5.3
136.05272	2.9
142.02710	3.0
143.03474	3.4
161.04544	3.3
161.09702	2.1
163.11288	18.0
164.11588	1.0
179.05582	4.9
179.10774	1.1
181.12364	4.4
189.09235	2.6
199.06108	1.0
207.10251	100.0
208.10632	4.6
209.04784	0.9
209.11835	1.8
221.06639	1.7
225.11310	37.5
226.11652	1.3
228.99969	0.9
235.08226	5.1
243.12274	1.5
255.23291	74.9
256.23615	6.0
287.07693	1.9
299.14581	0.9
305.08612	1.6
379.12387	7.5
397.13510	49.4
398.13876	5.1
415.14609	12.2
526.87036	0.9
605.24677	5.6
606.24896	1.2
623.25348	3.6
635.36426	0.9
653.36969	3.9
668.96442	0.9
854.36615	1.0
861.48547	53.5
862.48810	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	861.412
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99306	19.3
61.72558	0.3
61.98830	6.8
69.37592	0.7
69.38012	1.4
71.01381	1.3
72.57724	0.3
72.99305	1.8
75.00850	0.7
81.71901	0.2
87.00897	0.7
88.00407	1.7
88.98805	100.0
89.02445	3.1
89.99149	1.0
93.98619	0.3
97.02957	0.3
101.02460	0.2
105.01938	1.1
113.97240	0.3
123.00850	0.4
125.02439	0.8
168.17903	0.3
169.01404	0.7
171.10237	1.2
182.02206	1.0
185.11842	0.3
197.11937	0.3
207.10370	0.3
209.11852	1.5
211.13408	0.3
225.11415	0.6
227.12955	0.5
253.09264	0.5
291.19614	0.5
293.21243	0.4
293.85181	0.3
307.19214	0.4
309.20752	1.2
349.85864	0.3
397.13586	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	9.7
61.99107	1.9
71.01385	13.6
71.49731	2.4
73.02918	2.1
78.95895	3.2
78.98589	6.0
79.95737	44.9
80.96516	100.0
85.02952	4.4
87.00878	4.4
89.98036	1.4
94.98087	25.7
96.96056	2.8
97.02958	2.1
101.02428	3.7
106.98091	3.8
119.82253	1.5
122.97562	4.1
125.02447	4.7
127.04049	2.0
131.63498	1.3
134.97600	6.4
136.99159	1.4
148.99144	9.3
152.98640	8.6
164.98639	13.7
179.00105	1.7
206.99677	5.0
225.00732	28.9
255.23444	2.6
283.05032	1.9
341.05261	1.9
348.50952	1.5
425.15353	1.5
537.27252	2.7
709.38074	5.4
763.39471	5.2
815.43011	4.2
843.45917	4.3
844.48163	1.8
861.46820	82.4
862.47131	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	857.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	21.1
65.00320	3.4
67.01868	2.4
68.99831	2.0
69.94303	8.2
71.01380	10.3
72.64524	1.4
72.99293	4.8
75.00873	5.1
75.86864	1.7
78.95874	2.1
79.01871	1.5
83.01392	4.7
83.05061	2.7
85.02901	1.8
87.00886	3.4
88.98817	2.3
89.02458	2.1
90.18286	1.4
95.01395	4.4
96.99257	1.6
97.02919	1.8
99.00892	1.6
101.02464	3.9
103.00394	5.9
107.01419	2.3
110.00087	4.6
111.00886	24.4
113.02430	1.8
116.92854	5.0
121.02962	2.8
123.00888	20.6
124.01692	10.2
125.02448	25.8
125.09691	1.8
127.00383	10.7
134.89490	8.1
135.03049	2.4
136.98792	15.6
139.00377	26.7
140.00095	3.0
140.01166	47.8
151.00359	2.7
154.99847	2.8
162.03250	1.8
163.11272	2.7
164.01285	1.6
165.12834	2.7
166.99838	6.4
168.00659	26.1
169.01421	18.3
171.10278	4.4
177.01849	2.3
181.01408	2.1
183.02979	50.2
184.03319	2.2
191.03424	2.2
192.04254	6.0
193.60132	1.5
206.02242	1.8
209.11829	43.3
209.13791	2.4
211.13409	2.1
225.11261	3.5
227.12755	3.9
253.09306	2.8
260.68945	1.7
262.65939	1.6
271.13541	2.1
273.11191	3.6
289.14438	2.1
299.12903	7.8
317.10388	3.1
317.13766	13.5
341.23325	2.1
361.12830	6.7
382.99329	1.8
453.39966	1.7
571.23419	2.5
615.23016	11.1
651.66516	1.8
672.46954	1.7
781.85693	2.0
825.35474	100.0
826.35760	24.3
857.38232	46.9
858.38885	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	861.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01899	0.6
69.03431	0.5
69.93619	0.7
69.94014	1.0
71.01380	1.6
72.99283	0.4
80.42806	0.4
81.03477	0.4
83.01397	0.5
83.04995	0.5
85.02950	4.9
87.00886	1.3
88.60432	0.4
93.03443	2.6
93.15372	0.4
95.01382	0.7
97.02982	0.6
98.20641	0.5
99.00891	0.4
101.02452	0.4
107.01385	3.2
108.02171	3.1
109.02957	0.6
111.00880	0.9
111.04525	1.8
113.02458	0.5
117.03483	0.4
119.05005	1.0
121.02958	0.8
122.03687	0.8
123.00883	5.6
124.01704	0.5
125.01523	0.9
125.02449	18.3
126.02782	0.5
127.00282	0.5
127.04004	1.4
135.04582	0.5
136.98750	0.7
137.06071	0.8
139.00356	1.9
140.01155	1.5
141.01900	0.6
147.08163	0.6
151.00374	3.7
155.23546	0.4
163.04031	1.6
163.07678	1.7
164.08440	1.9
165.09203	14.5
166.09564	0.8
168.00629	1.5
169.01424	20.3
170.01744	0.6
171.02965	0.5
173.04568	1.4
173.06012	0.9
179.07103	0.6
181.05070	1.4
189.05559	0.7
191.05612	74.6
191.07146	7.9
192.05916	2.4
192.07484	0.4
208.07399	1.0
209.08186	53.9
210.08575	3.2
211.02455	0.7
217.01266	0.4
241.03548	0.5
297.06204	0.6
313.05646	6.9
337.09265	17.4
338.09558	0.9
343.10287	0.7
347.00534	0.6
365.01389	0.6
371.13412	5.5
372.13669	0.5
376.84515	0.5
505.13516	0.6
523.14539	100.0
524.14966	11.7
571.39673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98534	1.8
61.98833	27.0
68.99583	2.6
69.03458	3.3
71.01376	12.3
71.33967	1.0
72.99316	1.4
73.02935	2.4
80.02691	1.7
81.03442	1.3
82.95409	3.5
83.01355	1.5
83.05031	4.6
85.02947	10.2
87.00877	3.3
88.04047	6.7
89.02455	7.4
95.05016	3.4
96.96027	6.5
97.02959	2.2
97.06584	4.4
98.19844	2.3
99.92582	3.3
101.02443	7.8
109.06574	2.6
111.08154	9.0
112.98540	2.3
113.02449	4.2
114.93404	3.6
115.00362	3.7
116.92855	13.5
119.03470	1.4
122.25887	1.3
125.02422	4.6
125.09715	2.5
127.11266	2.1
132.02075	2.3
132.03023	19.0
137.09712	2.7
143.03392	1.4
145.05069	2.0
149.09784	1.6
150.93312	1.1
155.10754	1.9
157.29700	1.2
161.04527	3.9
162.34457	1.1
163.11307	3.2
165.12831	3.2
167.10753	2.8
169.01338	3.6
169.45512	1.1
171.10278	24.9
172.10609	1.3
177.12746	3.6
179.05655	1.9
179.10738	2.4
181.12349	1.3
183.13873	4.2
185.11807	2.8
195.13885	7.3
197.11792	4.8
199.13426	1.3
209.11835	39.4
210.12088	2.8
211.13402	21.6
212.13741	2.8
221.11766	3.6
223.13321	2.8
227.12851	5.3
228.13480	1.7
229.14461	11.5
229.46178	1.4
235.08192	8.0
239.12862	1.3
247.20607	3.4
253.09305	32.8
254.09721	2.3
275.20178	4.0
289.37906	1.1
291.19659	100.0
292.20001	10.7
293.21274	17.2
294.21536	1.5
304.78876	1.2
307.19144	4.9
309.20712	15.8
310.20990	2.2
311.22409	5.4
325.20276	2.6
327.21765	95.1
328.22089	15.1
329.22183	1.5
527.28680	2.0
563.30627	3.1
711.81616	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	857.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	21.4
65.00322	2.8
65.70123	0.9
67.01868	1.8
68.99834	2.2
70.56269	1.0
70.98666	1.7
70.99030	2.2
71.01397	6.9
72.99300	3.1
75.00851	1.4
79.01925	1.4
81.03480	1.6
82.00578	1.3
82.49367	1.0
83.01386	5.7
83.05059	1.7
87.00912	2.2
88.98801	1.7
89.02435	1.4
95.01378	6.8
96.96013	2.1
96.99307	2.0
97.02954	1.1
99.00885	1.4
101.02427	2.8
103.00344	1.7
103.77579	1.0
106.00584	2.5
107.01374	3.5
110.00095	4.7
111.00887	23.2
113.02406	1.3
116.92844	4.3
117.42498	1.0
123.00883	21.2
124.01662	8.2
125.02444	24.0
125.09755	1.0
127.00365	9.8
134.89470	3.7
135.18994	1.1
136.98793	16.5
138.03252	1.6
138.99414	0.6
139.00363	30.7
140.01164	42.5
151.00349	4.3
154.99844	3.3
163.04031	1.4
163.11290	3.4
164.01088	2.6
165.12819	2.6
166.99844	8.1
168.00647	29.3
169.01422	16.5
171.10277	2.4
174.03204	1.3
177.05513	1.4
183.02965	20.9
191.03519	2.0
192.04349	5.0
201.11258	1.4
209.11819	38.3
210.12163	3.3
211.13347	1.4
225.11301	2.5
227.12950	3.5
253.09224	2.3
268.68414	1.1
271.13336	3.3
273.11319	1.9
276.12799	1.1
289.14380	2.0
299.12842	7.6
317.10443	1.8
317.13873	14.2
318.14108	1.7
335.14951	2.5
341.23212	1.8
361.12793	6.9
362.13162	1.2
379.13824	1.4
393.15518	2.9
397.13559	1.3
470.21017	1.2
571.23901	3.0
615.22699	9.8
647.25580	2.6
781.37030	1.6
825.35486	100.0
826.35852	24.4
857.38043	44.0
858.38531	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	855.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	43.6
68.99570	27.6
71.01352	14.8
71.49968	18.0
73.71906	12.6
75.90263	15.1
78.95897	32.8
90.61839	14.0
96.96007	100.0
98.95608	34.3
99.00874	26.1
101.02427	17.1
111.84467	13.7
115.92068	43.5
116.92850	40.4
125.02451	14.9
169.01405	27.3
197.11818	36.8
209.11877	22.3
277.21664	25.4
278.22046	16.4
289.18036	23.9
293.21143	44.1
307.19125	18.5
579.13574	17.1
755.12256	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	855.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
60.89484	0.5
61.98829	10.5
69.03459	1.7
71.01375	6.7
73.02949	2.6
78.95920	0.8
79.99069	0.6
81.03478	0.7
82.95405	2.2
83.01385	0.8
83.05031	1.3
85.02950	9.6
87.00883	1.0
89.02457	4.6
89.53685	0.6
95.01376	1.2
95.05056	0.9
96.96004	3.8
96.96970	0.8
97.02966	4.0
97.06603	2.5
99.00907	0.6
101.02443	8.2
103.17916	0.7
110.03732	0.6
111.08166	8.9
111.58170	0.6
113.02467	3.4
119.03522	1.2
119.08614	0.8
125.09744	1.9
127.07687	0.7
127.11319	1.6
131.03490	0.5
137.09683	2.4
143.03505	1.2
153.12764	0.9
155.10768	1.2
155.14456	0.7
161.04570	3.7
161.48503	0.6
161.70934	0.6
163.11287	1.5
165.12842	2.0
167.14323	0.7
169.01414	0.6
169.12331	3.6
169.79886	0.6
171.10262	24.7
172.10568	0.7
179.05611	0.8
181.12328	1.4
183.13876	2.9
185.11765	0.9
193.12389	1.3
197.11826	44.0
198.12158	3.4
199.13422	2.5
201.11299	1.6
209.11879	3.9
211.13374	21.7
212.13715	1.7
221.11830	2.5
225.11436	0.9
227.12943	1.8
229.14447	10.6
235.08203	8.9
239.12888	2.3
247.20587	1.7
253.09273	34.4
254.09599	2.2
263.20160	1.8
265.18130	1.4
273.18683	1.4
291.19656	23.0
292.19934	2.3
309.20697	88.3
310.21121	9.7
327.21744	100.0
328.22110	9.2
433.20660	1.6
482.15289	0.6
509.35788	0.6
545.29565	4.6
546.29291	0.7
563.30713	7.0
564.30804	1.0
619.42230	5.1
620.43481	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41820	2.6
61.98835	80.0
69.53520	18.6
70.75136	2.4
71.01388	32.3
71.05042	3.1
78.95947	3.3
79.95766	4.3
82.95441	11.8
83.05042	3.0
85.02958	3.7
89.02457	4.4
96.96026	18.2
97.02965	3.8
97.06607	5.1
98.95627	5.7
101.02436	7.8
109.06604	8.2
111.08163	3.1
111.53388	3.1
113.02455	4.2
113.06109	7.5
116.92870	12.5
125.02431	4.7
141.96265	2.5
161.04507	5.5
163.11261	9.0
165.79181	2.5
168.57124	2.7
169.01360	5.1
171.10245	16.6
181.12354	3.2
189.19234	2.7
197.11855	38.4
198.12160	9.2
199.09801	13.5
201.11333	6.2
207.10219	14.1
209.11852	100.0
210.12209	10.7
211.13438	10.1
212.13669	4.2
225.11311	17.7
227.12862	17.7
228.13217	3.4
235.08257	11.0
253.09308	28.9
254.09666	6.8
289.18088	5.7
291.19553	11.4
292.20154	6.4
293.21057	3.6
307.19226	8.7
308.19504	6.9
309.20657	23.1
310.21054	16.2
311.21475	4.9
325.20209	13.1
326.20520	11.7
327.21756	22.8
328.22128	7.7
329.22406	4.2
435.18567	4.0
461.20541	5.4
469.05115	4.4
627.30042	4.2
645.31281	4.5
653.32147	4.5
671.32855	5.9
855.41443	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	855.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	84.1
69.03432	2.6
69.79091	8.8
69.79515	3.9
71.01382	24.5
73.02930	4.0
78.95905	4.7
79.95724	4.0
80.96502	3.1
82.95421	3.0
83.05021	5.8
85.02968	2.1
87.00846	5.3
89.02454	4.6
91.37058	1.9
94.03870	2.4
96.96009	33.3
96.96968	3.6
97.02934	3.3
98.19875	2.5
99.00912	3.3
101.02447	7.7
109.06580	8.4
111.08173	4.2
112.67053	2.0
113.02410	3.0
114.93367	2.8
116.92883	9.8
117.81228	2.4
123.08184	2.4
125.02454	5.8
125.06103	2.8
125.09711	6.9
135.08167	2.4
137.09644	2.5
144.31265	1.9
161.09811	1.9
163.11263	7.4
165.12823	3.2
169.01381	5.9
170.13039	1.9
171.10252	15.4
181.12323	5.8
185.11919	2.3
197.11864	15.1
198.12186	2.7
199.09767	26.8
201.11267	3.4
205.08658	2.3
207.10254	26.0
208.10391	2.5
209.11830	100.0
210.12173	7.4
211.13383	6.6
212.13733	2.7
213.11334	2.8
221.11923	2.4
223.09697	5.5
225.11354	26.3
226.11642	2.9
227.12894	20.0
235.08221	8.0
239.12881	4.0
243.12364	3.2
253.09285	23.4
289.18021	7.7
290.18289	3.0
291.19614	8.0
307.19092	6.7
309.20703	20.8
310.20901	4.1
326.20547	2.6
327.21783	11.1
399.21262	2.9
435.18805	4.0
443.19119	2.3
461.20285	4.1
490.23615	2.2
609.28900	6.8
627.30096	12.6
635.30725	4.5
645.31580	5.9
671.32776	6.8
672.32611	2.5
684.36761	2.5
855.42047	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	855.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
60.09868	2.1
61.98832	100.0
63.99242	4.5
69.03465	5.5
70.83213	2.3
71.01382	21.3
71.51315	2.9
72.99307	2.9
73.02965	4.0
79.95737	9.1
80.96510	7.2
81.03480	2.6
83.05016	3.7
85.02962	3.9
87.00861	4.1
88.98797	4.6
89.02451	16.6
94.98074	2.7
95.01385	5.1
96.96002	5.9
97.06599	3.2
101.02476	14.3
109.06599	3.9
111.04555	2.8
113.02442	6.6
116.92868	23.0
117.92903	5.3
118.92654	2.3
119.03505	7.9
121.02978	3.9
123.00878	6.2
125.02465	23.8
143.03519	4.0
161.04630	4.1
163.11249	5.0
166.99850	3.1
168.00661	3.5
169.01459	26.7
171.10291	13.5
179.05603	2.9
182.02148	2.3
183.03041	16.3
183.13945	6.7
207.10315	9.5
209.11836	93.7
210.12181	6.9
211.13399	84.0
212.13731	5.2
217.10010	2.3
225.00659	3.2
225.11288	6.4
227.12878	27.8
228.13069	2.9
235.08162	8.4
253.09273	4.0
280.67429	2.5
300.99875	3.9
323.09882	3.0
341.23346	5.7
379.12415	11.4
397.08383	3.4
397.13538	54.2
398.13876	3.8
405.04791	2.7
415.14462	8.8
441.31491	3.6
468.54553	4.5
469.05365	5.4
476.54102	2.4
589.25262	3.6
591.26874	7.9
608.27698	2.7
609.27924	11.0
766.20123	3.3
801.40485	5.2
837.38708	2.7
855.37921	30.7
856.39032	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	853.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	11.1
68.99566	1.4
69.03466	2.6
71.01375	7.6
71.50330	1.2
72.99313	0.7
73.02950	1.1
81.03481	0.8
83.01409	1.6
83.05057	1.4
84.02179	3.3
85.02962	2.4
87.00850	0.7
89.02456	5.0
95.01381	0.7
95.05045	1.2
96.96017	1.3
97.02977	2.9
97.06591	7.2
99.04504	0.9
101.02441	6.4
109.06620	1.0
111.08188	3.1
112.98542	1.1
113.02431	3.2
116.92914	0.7
119.03531	1.2
123.08209	1.2
125.02489	1.4
125.09715	2.9
137.09717	1.8
143.03494	1.2
151.11301	0.8
161.04520	2.8
165.12856	1.5
167.10750	1.5
169.01543	1.3
171.10269	20.6
172.10583	1.2
177.12830	1.2
179.05611	1.2
181.12315	1.3
183.10196	0.7
183.13916	1.3
185.11847	2.1
193.12350	8.4
193.32498	0.7
194.12584	0.8
195.13908	6.9
197.11842	12.7
198.12234	1.4
205.12202	0.7
207.65152	0.7
209.11885	4.8
211.13380	6.5
221.11775	1.3
223.13478	4.7
224.13815	0.7
225.11557	0.8
225.14964	13.3
226.15327	0.8
226.38252	0.7
227.12930	2.5
228.13615	0.9
235.08211	2.6
243.16000	6.7
245.19099	2.1
253.09290	35.1
254.09671	2.0
263.20145	0.8
273.18524	0.8
275.20151	6.1
289.18100	9.2
290.18506	1.1
291.19705	11.3
292.20074	1.3
293.21228	87.2
294.21570	9.9
307.19128	7.0
308.19403	1.1
308.25711	0.7
309.20706	13.8
310.20963	1.4
312.68646	0.6
323.22342	1.5
325.20218	1.7
327.21466	0.8
341.23312	100.0
342.23621	11.4
404.45175	0.8
445.20667	0.9
507.73621	0.9
529.30115	0.9
577.32422	4.4
617.44189	8.2
618.44281	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	854.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98536	0.3
63.99268	0.2
67.25200	0.1
71.01385	0.7
71.50898	0.2
78.95930	0.6
79.95746	0.2
80.91686	0.2
80.96538	0.6
82.95425	0.4
88.25152	0.1
94.98127	0.2
96.96018	2.7
96.96978	0.3
101.02467	0.2
125.02486	0.4
125.09771	0.2
136.30377	0.1
162.77312	0.1
163.11293	0.3
169.01422	0.7
171.10291	0.6
197.11783	0.3
207.10277	0.3
209.11835	1.0
210.12195	0.2
225.11337	0.3
235.08319	0.2
253.09360	0.4
289.18100	0.2
291.19888	0.2
309.20694	0.3
327.21835	0.5
341.23383	0.3
469.04932	0.3
677.36469	0.2
854.42480	0.5
855.40576	0.1
884.54694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
62.98536	0.3
63.99268	0.2
67.25200	0.1
71.01385	0.7
71.50898	0.2
78.95930	0.6
79.95746	0.2
80.91686	0.2
80.96538	0.6
82.95425	0.4
88.25152	0.1
94.98127	0.2
96.96018	2.7
96.96978	0.3
101.02467	0.2
125.02486	0.4
125.09771	0.2
136.30377	0.1
162.77312	0.1
163.11293	0.3
169.01422	0.7
171.10291	0.6
197.11783	0.3
207.10277	0.3
209.11835	1.0
210.12195	0.2
225.11337	0.3
235.08319	0.2
253.09360	0.4
289.18100	0.2
291.19888	0.2
309.20694	0.3
327.21835	0.5
341.23383	0.3
469.04932	0.3
677.36469	0.2
854.42480	0.5
855.40576	0.1
884.54694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93291	1.8
61.98534	3.4
61.98834	48.5
67.95720	1.8
71.01379	17.4
72.99312	2.5
73.02945	3.2
75.97601	1.7
79.87640	2.4
79.95724	3.8
80.96502	4.8
81.03435	2.9
83.05033	3.3
85.02979	4.2
87.00867	6.1
88.98791	3.4
89.02439	10.4
91.07248	2.2
96.26990	2.0
96.96062	3.2
97.02943	1.9
101.02448	11.6
113.02435	8.6
113.80499	1.8
116.92873	13.4
119.03510	4.7
121.02953	2.7
123.00865	5.8
125.02450	18.8
125.09737	2.6
131.03513	2.3
139.00333	4.1
140.01163	4.3
152.07993	2.1
161.04518	3.1
163.11266	3.1
165.01892	2.0
168.00639	4.3
169.01416	14.7
171.10329	11.1
179.05621	6.6
183.03036	11.1
183.13811	3.9
207.10237	3.2
209.11824	100.0
210.12184	8.3
211.13385	70.4
212.13692	3.3
223.09743	2.2
225.11320	3.5
227.12868	24.9
228.13361	2.1
231.10170	2.5
235.08217	5.2
253.09186	5.2
300.99826	2.2
305.08801	2.3
327.21725	4.2
341.23236	2.1
379.12476	9.5
397.13498	52.5
398.13699	3.7
415.14594	10.3
468.54773	2.7
469.05173	3.3
589.24939	6.5
591.26605	7.8
607.25940	7.2
609.27454	6.7
647.25525	2.5
801.39319	4.8
802.39832	3.3
855.37518	34.5
856.37732	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	853.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	4.4
69.03464	3.5
70.80438	3.2
71.01385	13.5
73.02944	2.3
78.76289	1.2
81.03458	3.0
83.01396	3.9
83.05032	3.3
85.02952	2.6
87.00876	1.3
89.02433	9.6
93.03477	1.5
95.01397	1.4
95.05050	2.7
97.02956	4.3
97.06617	6.6
98.56338	1.3
101.02447	10.8
109.06631	1.7
111.08170	18.9
113.02461	5.8
119.03481	2.4
121.06614	1.5
121.64859	1.4
123.04513	3.0
123.08196	2.3
124.05939	1.2
125.09718	9.7
127.07645	1.6
134.08902	1.3
134.78223	1.2
137.09732	4.1
151.11298	1.2
161.04581	5.0
163.11314	7.9
164.85028	1.1
165.12866	4.1
167.10800	2.2
169.12352	7.5
170.57747	1.6
171.10263	7.6
179.05635	1.7
181.12338	2.7
185.11836	13.5
191.14444	9.2
193.12378	2.4
195.13849	2.8
197.11838	100.0
198.12131	6.3
199.13441	4.5
207.10249	4.0
209.11850	19.4
210.12276	1.3
211.13422	15.4
212.13658	2.1
217.15874	2.1
223.13441	3.4
225.11317	2.7
225.14847	2.1
227.12894	9.7
235.08209	3.8
237.11302	4.3
245.19090	14.8
246.19388	1.9
247.20660	2.3
253.09315	34.8
254.09695	2.0
263.20145	9.0
265.18161	2.7
271.17044	2.0
273.18643	2.5
275.20206	1.7
289.18106	60.9
290.18500	5.5
291.19678	32.8
292.20093	3.4
293.21198	30.2
294.21567	1.7
307.19202	45.9
308.19601	3.2
309.20734	63.5
310.21198	5.8
341.23331	24.4
342.23505	2.6
469.48755	1.4
617.44476	1.8
620.07703	1.5
851.38690	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	853.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	3.3
65.28643	1.0
69.03446	3.1
69.21446	9.7
71.01382	13.8
73.02948	2.5
73.85618	0.9
80.02673	1.7
81.03450	2.5
83.01371	3.1
83.04998	2.5
84.02182	1.1
85.02942	3.4
87.00871	2.0
89.02452	7.1
95.01422	1.3
95.05032	2.9
97.02942	3.3
97.06586	6.9
101.02432	11.8
106.04244	1.2
109.06584	2.7
111.04536	1.1
111.08164	19.4
112.83484	0.9
113.02454	5.7
118.59183	1.0
119.03470	2.2
119.08711	1.5
121.06565	1.6
123.04506	2.8
123.08192	2.0
125.02415	1.5
125.09737	9.5
127.07675	1.8
131.03539	1.3
133.06467	1.2
137.06123	1.2
137.09711	3.6
151.11259	2.9
153.12854	2.3
161.04567	5.4
163.11259	6.4
165.12869	5.2
167.10768	3.8
168.66661	1.0
169.12338	7.9
170.34924	0.9
171.10254	6.6
179.10707	1.1
181.12323	4.5
183.13921	1.5
185.11795	10.2
191.10838	2.0
191.14372	8.1
193.12332	1.3
197.11813	100.0
198.12140	4.8
199.13361	6.0
207.10303	2.8
209.11809	22.9
210.12221	1.2
211.13376	12.7
212.13707	1.3
217.15956	1.3
225.11299	2.9
227.12871	10.6
228.13358	1.2
235.08189	3.5
237.11302	2.8
245.19106	15.7
246.19481	1.4
253.09267	26.0
263.20178	12.8
264.20309	1.3
265.18066	2.5
271.17044	2.6
273.18573	1.8
289.18076	60.0
290.18369	5.7
291.19650	28.6
291.22220	0.7
292.20050	3.7
293.21365	5.2
307.15585	2.3
307.19128	43.4
308.19446	4.2
309.20697	78.3
310.20889	5.9
341.23386	3.0
445.20926	3.1
543.27570	1.0
720.94244	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	18.0
69.03452	1.6
69.97073	4.9
70.33245	1.0
71.01379	23.4
72.99307	2.1
73.02951	3.1
75.00859	1.2
79.95727	1.4
80.02690	1.0
80.96527	2.6
81.03452	2.4
83.01398	2.7
83.05021	4.2
83.07213	0.9
84.02163	1.2
85.02956	5.0
87.00897	3.1
88.42561	0.9
89.02444	16.1
95.01364	1.4
95.05052	1.8
96.96023	2.8
97.02948	3.8
97.06584	4.6
98.19904	2.1
101.02436	12.4
110.29400	1.0
113.02422	5.6
114.93382	1.7
116.92817	1.0
119.03512	2.8
125.02438	4.2
125.06002	1.0
147.02896	1.3
151.11281	14.5
158.41759	1.2
161.04623	1.7
163.11298	3.8
169.01462	3.1
169.12338	65.5
170.12697	4.5
171.10281	4.0
179.05582	1.6
189.84473	1.1
194.13144	1.0
195.10161	1.4
201.11314	2.4
207.10300	1.3
209.11813	48.9
210.12088	4.8
211.13387	7.6
213.11334	10.4
221.06607	3.8
225.11253	1.6
227.12871	4.1
235.08267	1.5
241.31265	1.0
275.74887	1.1
287.07724	1.0
366.51779	1.2
397.13419	4.3
415.14658	1.5
545.91205	1.1
611.25500	2.3
799.36890	1.4
815.09161	1.2
821.38110	100.0
822.38531	24.1
853.40509	16.4
854.40967	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	853.4955
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	40.6
63.99260	1.5
68.36699	0.6
68.99565	3.4
69.03461	3.0
70.50642	1.3
70.50999	1.0
71.01380	9.8
71.05017	1.1
72.89777	0.5
72.99271	1.0
73.02949	2.6
78.95899	2.0
79.95714	0.7
80.02715	0.7
80.91703	0.9
81.03458	1.9
83.01385	3.4
83.05016	2.7
84.02180	1.0
85.02953	10.2
87.00874	2.2
88.38776	0.6
88.43886	0.6
89.02446	7.0
95.01398	1.0
95.05031	2.1
96.96014	2.9
97.02956	4.5
97.06596	5.8
98.20572	0.6
101.02456	9.2
109.06570	3.7
110.49442	0.6
111.04482	1.0
111.08145	2.3
112.98584	2.4
113.02448	5.0
116.22755	0.6
119.03511	1.0
119.08658	0.9
121.06606	0.7
123.04512	2.1
123.08153	1.4
125.02451	2.1
125.09753	5.1
127.11291	3.0
132.00288	0.7
135.08182	1.3
137.09732	5.2
141.12921	0.9
143.03506	0.9
145.05057	1.0
145.50490	0.6
149.09715	0.9
151.11224	1.2
152.99483	0.8
153.09203	1.3
155.10757	1.2
161.04552	4.6
163.11331	5.0
165.12878	3.5
167.10835	0.8
169.12346	1.5
171.10280	31.4
172.10637	1.8
177.12825	0.9
179.05490	1.6
179.10661	0.7
181.12341	2.9
183.13922	2.7
185.11847	4.0
191.10780	1.8
191.14398	6.5
193.12299	1.2
197.11850	14.4
199.13396	1.6
201.11269	1.6
207.10246	3.1
209.11833	21.5
210.12163	2.2
211.13399	20.6
212.13710	1.4
221.11841	3.2
223.13448	0.7
225.11360	2.2
227.12874	2.6
229.14479	8.3
235.08235	10.3
235.13374	1.1
236.08458	0.9
237.11327	3.4
237.14981	0.8
239.12857	1.3
245.19102	12.1
246.19548	0.8
247.16875	0.7
247.20442	1.0
253.09282	35.7
254.09628	1.1
263.20135	3.9
271.17078	2.0
281.21252	0.8
289.18112	51.3
290.18454	5.4
291.19727	9.4
292.20013	1.0
293.21194	1.0
307.19159	55.8
308.19498	5.5
309.20703	23.5
310.21161	2.4
325.20203	16.1
326.20526	1.8
327.21774	100.0
328.22116	9.0
445.20795	0.9
525.26978	1.7
543.28156	2.7
545.29578	1.7
561.28235	0.7
563.30823	3.4
564.30975	1.0
617.40796	1.5
755.42773	1.0
853.49097	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	853.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01726	4.8
61.01789	2.1
69.03461	2.7
70.52863	3.5
71.01379	83.7
72.99309	3.1
73.02946	89.8
74.03288	3.1
75.00842	2.0
83.01387	27.8
85.02950	13.1
87.00854	1.6
87.19081	1.0
87.48869	1.0
89.02444	31.8
95.01382	3.7
97.02946	2.2
99.00871	3.1
101.02443	100.0
102.02766	3.0
113.02456	38.4
114.19418	0.9
119.03506	15.1
123.21373	0.9
125.02422	4.2
131.03503	11.4
143.03514	12.0
149.04550	21.5
155.03433	2.5
161.04547	36.8
161.05890	2.2
169.01370	2.5
179.05586	3.0
183.03000	1.2
203.05598	3.0
221.06641	11.3
231.71901	1.1
261.13248	1.8
289.03366	1.0
303.14426	4.4
305.04309	1.0
373.22290	35.9
374.22635	4.4
376.00232	1.4
505.26456	11.3
506.26361	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	853.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40076	0.5
61.98820	1.2
66.05741	0.4
69.03439	1.0
69.26280	4.0
71.01380	10.4
72.99301	1.4
73.02943	1.5
80.02676	2.2
81.03448	2.3
83.01391	1.8
83.05022	5.6
84.02160	1.4
85.02940	1.7
87.00883	3.1
89.02445	9.4
93.03442	0.5
95.01345	0.7
95.05005	1.1
96.96018	1.1
97.02959	1.3
99.00838	0.6
99.19263	0.5
101.02441	6.5
102.05604	1.3
109.02995	0.8
109.06575	0.7
110.52383	0.4
111.00848	0.6
111.08147	0.5
113.02464	4.1
119.03465	2.8
119.62244	0.5
122.76592	0.5
123.00867	0.9
125.02450	6.1
125.06086	0.8
125.09722	1.1
127.11317	2.3
128.03551	1.0
132.03020	0.8
135.08195	0.8
139.11304	0.5
141.01944	0.5
143.03516	1.3
146.04597	2.3
155.10788	0.8
161.04549	1.7
163.11299	4.2
165.09171	0.5
165.12794	2.5
169.01447	2.4
171.10268	3.2
179.05643	2.4
181.12239	0.7
191.10771	0.6
199.06084	0.5
199.09653	0.7
199.13446	0.9
201.11314	37.1
202.11703	2.6
207.10191	0.8
209.11816	100.0
210.12161	9.1
211.12297	0.6
217.07172	0.5
221.06616	1.3
225.11281	1.5
226.11794	0.6
227.12877	16.6
228.13196	1.4
235.08185	3.7
251.12939	0.7
287.07620	0.9
305.08765	0.6
306.07623	0.6
363.20078	0.6
379.12524	2.5
397.13480	23.7
398.14114	2.9
399.13724	0.7
415.14554	6.9
416.14807	1.3
581.24902	0.8
589.24640	0.6
599.25751	1.4
607.26135	3.2
626.14960	0.7
642.05969	0.6
861.34052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98544	0.2
63.99262	0.2
69.07639	0.1
69.20432	1.1
71.01388	0.9
72.01746	0.1
78.91936	0.1
79.95745	0.3
80.91705	0.3
80.96526	0.4
82.95411	0.1
85.02956	0.2
87.00900	0.2
89.02458	0.3
96.96006	0.5
97.02972	0.1
100.94973	0.1
101.02472	0.2
101.51690	0.1
113.02456	0.2
113.40179	0.1
116.92895	0.3
125.02457	0.7
141.87865	0.1
152.65733	0.1
163.11330	0.2
165.09241	0.1
166.99719	0.1
169.01401	0.7
171.10301	0.4
178.54878	0.1
183.13972	0.1
201.11351	0.2
207.10269	0.2
209.11859	2.0
210.12138	0.8
211.13443	1.3
212.13757	0.6
225.00838	0.1
225.11342	0.3
227.13020	0.3
235.08096	0.1
266.24243	0.1
300.99991	0.3
397.13675	0.4
398.13998	0.3
415.14542	0.1
602.31476	0.1
625.07367	0.1
760.42047	0.1
818.01324	0.1
852.41266	0.4
853.40240	0.4
868.01788	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98529	0.1
65.28924	0.1
69.83713	0.2
69.84120	0.5
98.13407	0.1
98.19895	0.2
99.52287	0.1
117.58149	0.1
147.11833	0.1
156.74570	0.1
324.20618	0.1
372.12805	0.1
388.31079	0.1
756.54486	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	853.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34436	2.5
62.21075	2.8
62.35303	2.9
71.51221	3.2
81.67261	2.8
88.07196	2.6
123.00879	5.2
125.02420	15.6
135.56134	3.0
169.01378	13.8
201.01888	3.8
203.03441	5.0
229.01335	6.6
247.02357	5.1
249.03947	3.6
255.72620	3.5
257.00955	4.1
275.02087	13.6
300.99860	100.0
302.00098	6.9
331.06763	6.9
402.74493	3.3
621.49902	3.7
785.08209	8.5
791.29602	3.3
798.03278	3.4
817.11261	28.9
818.12024	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	853.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.9
68.99812	0.6
69.03448	0.8
69.85308	2.3
71.01380	9.4
72.99306	1.3
73.02939	1.5
80.02676	0.9
81.03460	1.8
83.01381	0.9
83.05025	5.2
84.02177	0.9
84.05350	0.7
85.02953	2.1
87.00853	2.4
88.04071	0.8
89.02446	9.3
95.01373	1.3
95.05020	0.7
96.96003	1.6
97.02934	1.4
98.20547	0.8
99.00881	0.9
101.02442	7.5
102.05605	1.6
110.52033	0.5
111.00854	0.5
113.02456	4.8
114.05574	0.7
119.03482	2.3
123.00915	0.7
125.02446	4.8
125.06094	0.8
125.09715	2.1
127.11274	2.0
128.03558	2.3
132.03011	2.0
135.08144	1.1
143.03523	1.2
146.04572	4.6
147.04846	0.5
148.45169	0.5
151.03928	0.6
155.10756	0.7
158.04637	0.7
161.02429	0.6
161.04572	2.0
163.11266	3.6
165.12854	2.0
169.01404	2.8
171.10258	2.7
172.10542	1.1
179.05594	2.5
181.12314	1.0
183.02925	0.7
191.10725	0.7
199.13434	0.9
201.11314	37.9
202.11664	2.5
209.11819	100.0
210.12148	7.6
211.12387	0.7
221.06606	0.9
225.11322	1.6
226.11763	0.9
227.12877	14.7
228.13246	1.3
235.08214	2.7
251.12968	0.5
251.24132	0.5
253.09258	0.8
284.17493	0.5
284.20773	0.5
287.07663	0.8
300.99847	0.6
305.08755	1.0
323.09827	1.0
379.12619	3.1
397.13489	20.7
398.13818	2.5
399.14301	0.5
415.14563	8.1
416.14877	0.5
468.60345	0.5
469.05664	0.8
497.19586	0.5
581.24689	0.9
589.25385	0.6
599.25922	1.2
607.26007	3.0
701.30353	0.8
791.36755	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	14.3
61.98837	9.3
64.41158	1.0
68.99566	1.9
69.03449	6.1
69.43260	1.0
70.92537	1.8
70.92857	1.5
71.01379	15.7
72.99289	1.3
73.02939	4.0
75.81636	1.0
80.02676	1.7
81.03442	3.0
83.01395	3.9
83.05013	3.9
84.01253	1.3
85.02955	4.8
87.00877	2.0
87.04531	1.2
89.02441	9.0
89.41081	1.0
93.03462	1.4
95.05016	3.3
96.43555	1.1
97.02950	14.1
97.06593	6.4
99.00861	1.4
101.02442	10.6
103.57524	1.1
106.04255	1.3
107.04969	2.0
109.06577	3.1
111.00874	1.5
111.08163	4.9
112.98581	1.8
113.02456	6.5
116.54745	1.1
118.27376	1.1
119.03518	3.0
119.08636	1.4
121.06578	1.8
123.04553	2.3
123.08169	6.1
125.02454	2.2
125.06081	1.5
125.09725	20.1
127.07642	1.3
135.08160	8.2
137.06023	1.3
137.09691	9.8
139.07637	4.3
139.11330	2.7
149.09766	2.2
151.07629	1.4
151.11333	2.7
153.09210	8.8
153.12836	1.2
155.10780	26.2
161.04561	4.3
161.09660	1.5
163.11241	7.4
165.09196	4.3
165.12849	10.0
167.10689	1.2
169.12291	1.1
171.10258	18.3
177.09100	1.6
179.05566	1.5
179.14424	1.4
181.08711	2.2
181.12289	4.7
183.10286	15.3
183.13904	1.6
185.11876	7.1
187.09673	2.2
189.12807	1.4
191.10674	1.3
191.14439	2.6
193.12355	1.7
194.77902	1.2
195.10251	2.4
197.11795	2.9
199.09769	12.7
200.10063	1.1
201.11324	7.3
203.10716	1.6
207.10257	4.9
209.11774	13.5
210.12225	1.6
211.13371	4.9
213.11319	28.3
214.11632	1.4
221.11725	1.5
223.13353	2.0
225.11279	4.8
227.12901	7.5
235.08186	4.6
242.52277	1.1
243.17511	4.9
245.19070	4.7
247.20668	6.0
253.09273	32.7
261.18527	3.4
263.19995	1.9
273.18500	2.5
277.17725	1.3
279.19687	6.1
287.16553	12.1
288.16507	1.2
289.18149	14.6
291.19650	71.3
292.20068	5.8
293.21240	3.5
305.17566	28.6
306.17886	1.7
307.19168	9.0
309.20697	100.0
310.21054	7.2
323.18628	37.0
324.18979	3.0
419.19257	10.3
435.18478	2.2
449.19580	1.5
523.25928	1.4
527.28577	1.5
541.26569	4.0
559.27509	3.5
711.39264	2.4
833.46259	2.0
851.49152	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	851.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	24.0
59.48406	0.7
61.98545	0.9
61.98836	11.7
69.03445	1.5
69.60886	4.3
71.01383	59.4
72.01720	0.9
72.99296	1.7
73.02956	6.8
75.00911	0.8
80.02683	1.6
81.03458	3.3
83.01394	3.1
83.05029	6.4
84.02185	1.3
85.02958	7.9
87.00873	5.6
87.04549	0.6
89.02449	17.0
93.03455	1.0
93.58900	0.6
95.01383	2.1
95.05033	2.6
96.96011	1.6
97.02955	5.1
98.20599	1.4
99.00890	2.4
101.02451	13.5
107.05051	0.8
109.02954	0.8
109.06578	5.3
111.00873	1.2
111.04485	0.9
113.02470	9.3
119.03519	5.0
121.06571	0.8
125.02446	7.3
125.06097	0.8
125.09721	2.2
127.11275	1.7
131.03471	0.8
135.08170	2.2
139.07671	2.0
141.01967	1.3
143.03488	2.8
149.09726	0.8
155.10745	1.9
161.04588	3.4
161.09668	0.9
163.11304	9.2
165.12872	2.2
167.03537	0.7
167.10762	0.8
169.01366	0.9
169.12262	1.0
171.10277	33.3
172.10609	2.1
175.02654	0.8
177.09422	0.7
179.05589	5.2
181.12344	4.2
183.10159	0.9
185.11838	2.1
189.09245	1.8
191.10866	0.9
197.11874	2.7
199.13400	1.7
201.11337	24.3
202.11656	1.4
207.10248	17.2
209.11829	100.0
210.12173	7.7
215.12863	3.2
221.06706	2.2
225.11325	36.7
226.11736	2.3
227.12892	11.8
228.12979	1.0
235.08273	5.4
243.12349	4.6
251.12953	1.9
253.09323	1.7
263.07755	0.8
287.07819	0.9
305.08771	1.7
379.12387	3.6
380.11996	0.9
383.77484	0.8
397.13531	30.3
398.14032	2.2
399.21674	1.1
407.87939	0.8
415.14551	9.3
417.22656	1.4
439.14401	1.0
457.15656	1.2
605.24506	2.4
607.25964	1.4
623.25397	4.8
722.91669	0.9
797.35876	1.4
803.80457	0.8
815.36456	3.7
816.37878	1.9
833.37659	4.7
834.38788	1.6
851.39087	7.0
852.38904	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	851.392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.1
61.98830	8.2
68.99832	0.9
69.03465	2.3
69.98129	2.7
71.01381	76.5
71.05025	0.8
72.01724	0.8
72.99310	2.4
73.02946	6.9
75.00884	0.7
80.02679	2.5
81.03450	3.2
83.01382	2.3
83.05029	7.1
84.02168	1.6
85.02945	7.7
85.06663	0.6
87.00867	6.4
89.02444	18.3
89.03288	0.8
93.03463	1.6
95.01387	2.9
95.05030	2.9
96.96012	2.5
97.02937	4.9
97.06609	0.7
98.19923	0.7
99.00893	3.2
99.01471	0.6
99.04539	0.8
101.02444	13.1
107.05019	0.7
109.06588	5.4
110.03757	1.2
111.00875	1.2
111.04507	1.1
113.02455	8.5
119.03519	4.9
123.04520	0.7
123.08204	1.3
125.02451	8.9
125.06075	1.6
125.09705	3.2
127.11292	2.0
131.03435	0.7
135.08148	1.5
137.09673	0.7
139.03970	0.6
139.07664	1.8
141.01971	0.8
143.03500	3.2
145.10165	0.6
147.11768	0.7
149.09720	1.4
151.11261	0.9
153.12840	0.7
155.10791	2.3
161.04549	3.6
161.09714	1.2
163.11281	10.8
165.09250	0.9
165.12833	2.3
167.10756	0.8
169.01454	2.4
171.10260	36.5
172.10519	1.1
179.05583	5.1
179.10783	1.1
181.12350	4.3
183.10204	0.7
185.11855	2.6
189.09224	1.3
191.10811	1.5
197.11848	3.3
199.09848	0.9
199.13354	1.0
201.11314	22.7
202.11696	1.3
207.10265	17.1
208.10652	1.0
209.11821	100.0
210.12148	6.1
211.13394	1.0
215.12860	2.6
217.07274	0.8
221.06645	2.5
225.11319	35.4
226.11673	1.5
227.12883	13.3
228.13287	0.9
235.08220	4.9
243.12379	3.4
251.12891	2.1
253.09291	0.9
263.12869	0.9
285.04059	0.9
287.07742	0.9
305.08743	0.7
379.12436	5.1
397.13513	30.3
398.13696	2.7
399.21921	0.7
407.87567	0.7
415.14606	9.2
417.22849	2.0
439.14462	0.9
445.57898	0.7
457.15567	0.8
569.24414	0.7
605.24634	2.0
607.26025	1.0
610.19696	0.6
619.20068	0.6
623.25751	5.1
624.25604	1.2
797.36084	1.6
815.37152	3.1
816.37982	1.1
833.38196	3.2
834.37659	1.3
851.38910	7.0
852.39606	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	850.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.1
61.98831	100.0
62.98537	0.2
64.29042	0.1
70.97558	0.2
71.01408	0.2
71.45068	0.1
77.89187	0.1
78.95900	0.2
80.96507	0.2
84.11359	0.1
96.96026	0.8
171.10275	0.2
209.11908	0.6
276.96078	0.1
663.95502	0.1
800.37201	0.1
851.40625	0.2
854.21204	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
61.98828	100.0
62.98528	0.2
71.01386	0.2
71.78858	0.1
76.70774	0.1
79.95757	0.1
80.96526	0.2
89.02426	0.1
96.96021	0.1
125.02439	0.2
127.18748	0.1
140.64197	0.1
144.97401	0.1
158.88704	0.1
171.10345	0.1
207.10182	0.1
208.01297	0.1
209.11919	0.3
291.19620	0.2
307.18948	0.1
309.20456	0.1
341.23636	0.1
550.61505	0.1
599.64569	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
60.16595	0.1
61.98829	100.0
62.98525	0.2
63.99276	0.5
70.50883	0.4
71.01375	0.8
73.02954	0.1
78.95890	0.3
79.95696	0.1
80.96521	0.2
83.05049	0.1
85.02982	0.2
88.98820	0.1
89.02450	0.2
92.31612	0.1
96.96021	0.4
96.96959	0.2
97.02991	0.1
101.02451	0.3
109.06578	0.2
116.92858	0.2
125.02483	0.2
125.09736	0.1
148.38298	0.1
149.27132	0.1
163.11250	0.3
169.01489	0.1
171.10289	0.7
185.11856	0.1
197.11824	0.5
198.29578	0.1
199.09776	0.1
207.10252	0.3
208.10680	0.1
209.11829	1.3
210.12141	0.2
211.13388	0.3
225.11319	0.3
227.12988	0.3
253.09308	0.4
287.16498	0.2
289.18134	0.4
291.19751	0.3
305.17682	0.3
306.18005	0.1
307.19229	0.4
309.20682	0.6
323.18668	0.1
325.20322	0.4
397.13525	0.3
415.14471	0.1
654.92981	0.1
850.37573	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.91613	0.1
61.98830	100.0
62.69392	0.1
62.76223	0.1
62.98529	0.1
71.01379	0.6
75.00894	0.1
78.95915	0.1
79.95736	0.2
80.96519	0.3
83.05035	0.1
85.02976	0.1
89.02451	0.1
95.01388	0.1
96.51318	0.1
96.96018	0.3
98.20702	0.1
101.02477	0.2
113.02460	0.1
125.02476	0.1
152.13899	0.1
163.11324	0.2
164.98782	0.1
169.01399	0.1
171.09048	0.1
171.10222	0.4
201.11331	0.3
207.10291	0.3
209.11859	1.0
210.12216	0.2
211.13435	0.1
223.09766	0.1
225.00703	0.1
225.11397	0.3
227.12932	0.2
253.09409	0.1
309.20627	0.1
343.67172	0.1
394.75784	0.1
397.13684	0.2
398.68320	0.1
441.75925	0.1
447.13846	0.1
851.39038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.37489	0.1
62.98524	0.1
62.99244	0.1
71.01391	0.4
71.27489	0.1
80.96512	0.1
88.34224	0.1
101.02468	0.1
125.02526	0.1
143.98260	0.1
154.91209	0.1
165.90915	0.1
169.01453	0.2
202.92677	0.1
209.11821	0.5
211.13344	0.2
213.29175	0.1
225.11336	0.1
227.10649	0.1
294.44434	0.1
375.09772	0.1
388.39679	0.1
397.13770	0.1
434.65735	0.1
478.53815	0.1
850.39722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.3
61.12246	0.1
61.98831	100.0
62.98516	0.1
62.99258	0.1
71.01378	1.0
79.95745	0.2
80.96500	0.1
85.02981	0.1
89.02458	0.3
93.36035	0.1
96.96047	0.1
97.02969	0.1
101.02465	0.2
109.06609	0.1
122.20311	0.1
125.02460	0.1
128.68481	0.1
159.36626	0.1
163.11391	0.2
171.10289	0.4
179.05756	0.1
201.11345	0.3
207.10301	0.2
209.11832	1.7
225.11374	0.4
227.12955	0.1
322.44537	0.1
334.46753	0.1
397.13553	0.5
805.66187	0.1
851.39215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.7
61.98829	100.0
62.78769	0.2
62.98542	0.4
63.99265	0.5
69.03442	0.3
71.01380	8.4
71.50661	0.3
72.99287	0.4
73.02960	1.0
77.72382	0.2
78.91896	1.0
78.95905	0.9
79.95737	2.0
80.96519	1.6
81.03472	0.5
83.01393	0.3
83.05043	0.9
85.02963	0.8
87.00878	0.8
89.02424	2.1
94.98097	0.3
95.01408	0.4
95.05038	0.3
96.49377	0.2
96.96015	2.3
96.96955	0.4
97.02956	0.6
97.06602	0.3
99.11547	0.2
101.02444	2.2
107.05110	0.2
109.02947	0.2
109.06604	1.0
111.04558	0.3
113.02461	1.0
119.03493	0.5
123.00934	0.2
123.08182	0.3
125.02460	1.1
125.09754	0.5
129.00504	0.2
135.08167	0.5
140.18396	0.2
152.98471	0.2
152.99658	0.3
155.10837	0.3
161.04552	0.5
163.11325	1.5
165.12845	0.4
169.01437	0.6
171.10262	4.2
172.10687	0.3
179.05634	0.5
181.12367	0.6
185.11833	0.4
188.21695	0.3
195.88579	0.2
197.11868	0.7
201.11325	2.3
207.10245	2.4
208.10638	0.3
209.11821	12.8
210.12204	0.7
211.13441	1.1
215.12967	0.5
219.10080	0.4
221.06729	0.3
223.09721	0.2
223.13400	0.7
225.00740	0.3
225.11319	4.4
226.11803	0.3
227.12900	1.7
235.08276	0.7
239.12862	0.3
240.13412	0.2
241.14365	0.2
243.12352	0.5
253.09395	0.6
263.09042	0.5
287.16577	0.4
301.00012	0.3
305.08771	0.3
305.17627	0.5
311.22299	0.3
327.21826	0.6
379.12497	0.5
397.13461	3.8
398.13925	0.4
415.14761	1.2
439.14575	0.4
605.24579	0.3
623.25616	0.6
675.35120	0.4
765.29443	0.4
815.37769	0.8
833.36926	0.4
834.38104	0.2
851.38422	2.6
852.40118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.9
61.98829	8.9
69.03420	1.6
71.01379	18.3
71.49767	1.6
72.99303	1.4
73.02939	3.2
78.95879	2.4
81.73317	1.3
83.01399	2.0
85.02946	4.6
85.23727	1.3
86.39388	1.2
87.00862	2.9
89.02444	12.2
95.01361	1.8
97.02950	2.5
97.06583	2.6
99.00887	1.3
101.02444	12.8
113.02438	4.6
116.92865	3.2
119.03507	2.7
125.02414	3.1
151.11285	9.9
169.12331	71.1
170.12714	3.1
184.88965	1.2
195.10249	1.8
213.11330	8.8
221.06673	3.9
255.23257	30.2
256.23550	3.2
260.19986	1.4
265.33725	1.4
268.73129	1.5
397.13370	4.4
481.37201	1.2
611.25378	2.5
849.48456	100.0
850.48718	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	1.0
59.01379	15.1
61.98839	3.6
63.75916	0.6
68.99566	2.4
70.55832	0.7
70.56177	2.0
71.01012	0.9
71.01382	13.9
71.66459	0.7
72.99284	1.2
73.02940	2.7
80.96514	0.9
83.01380	1.8
83.05016	0.7
84.01698	0.7
85.02967	3.6
87.00873	2.2
88.98801	1.0
89.02440	10.5
95.01401	1.0
95.05000	1.7
97.02927	1.4
97.06579	4.8
99.00835	0.9
100.55551	0.6
101.02444	8.9
112.98550	2.3
113.02429	4.5
119.03493	2.0
125.02448	3.3
125.09669	0.8
138.44315	0.6
143.03479	0.9
151.11261	10.2
161.04567	0.9
169.01389	1.3
169.12337	40.4
170.12646	2.1
178.47417	0.7
195.10242	0.9
213.11353	4.9
221.06656	1.5
235.08414	0.8
255.23283	47.2
256.23618	4.0
288.46539	0.6
397.13464	3.3
415.14594	1.1
469.04749	0.7
503.72626	0.6
535.83673	0.7
593.24646	1.4
611.25500	1.7
828.24896	0.8
849.48517	100.0
850.48828	30.3
850.65295	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	849.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	21.3
59.65905	0.7
61.98818	1.9
69.03446	5.9
70.62757	1.3
70.63107	1.9
71.01010	1.2
71.01383	19.6
71.04956	0.8
72.99294	2.2
73.02936	2.3
75.00860	2.4
80.02676	1.7
81.03445	3.2
83.01359	3.2
83.05003	6.3
84.02164	1.8
85.02943	5.1
87.00885	5.2
88.98763	0.8
89.02446	11.9
93.03440	0.8
95.01413	1.9
95.04991	1.5
96.95982	1.2
97.02951	3.1
97.06576	1.4
99.00879	2.7
101.02451	11.2
102.05608	1.7
109.06625	1.1
111.00839	1.1
113.02447	4.6
115.00334	3.0
119.03468	2.1
123.00838	1.2
123.08150	1.2
125.02444	5.6
125.05997	1.0
125.09679	3.3
128.03491	3.0
143.03491	1.5
146.04581	1.0
149.09779	0.9
151.11256	2.2
161.04546	1.4
161.09705	5.2
163.11298	6.4
165.12820	2.5
169.01393	3.7
171.10240	5.0
175.02458	6.8
176.75278	0.8
179.05612	1.2
179.10802	6.0
181.12306	2.3
185.11818	0.8
197.11829	46.0
198.12201	2.6
199.13400	1.6
201.11253	2.1
207.10245	5.0
209.11821	70.7
210.12126	3.8
221.06683	1.6
223.09735	2.9
225.11302	6.3
227.12869	4.4
235.08194	0.9
241.03497	0.9
241.10770	4.7
253.09184	0.9
285.13412	1.0
306.07526	1.7
381.15891	0.8
389.23273	0.9
397.13480	6.0
398.13635	1.1
415.14764	1.4
469.05063	1.3
601.73676	1.0
731.34833	3.6
831.36475	1.7
849.37592	100.0
850.38232	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
61.98829	100.0
71.01387	0.7
75.00854	0.1
78.95913	0.2
79.95709	0.1
80.96545	0.1
88.98799	0.5
89.02471	0.1
96.96006	1.3
96.96975	0.2
98.19920	0.4
101.02464	0.1
109.06615	0.2
110.34293	0.1
116.92876	0.1
125.02409	0.2
171.10324	0.1
207.10271	0.1
209.11879	0.4
211.13391	0.2
223.09720	0.2
225.11331	0.2
300.99808	0.1
397.13559	0.2
545.05487	0.1
796.50171	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	848.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.2
61.98830	100.0
63.99256	0.1
71.01394	0.4
73.34954	0.1
75.06937	0.1
85.93857	0.1
97.01175	0.1
109.06539	0.1
126.57352	0.1
127.99802	0.1
162.86537	0.1
167.28180	0.1
171.10211	0.3
209.11815	0.8
281.90469	0.1
283.87903	0.1
328.04153	0.1
397.13339	0.2
417.35135	0.2
444.90683	0.2
734.42072	0.1
849.38190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.3
61.98830	100.0
62.98543	0.1
62.99263	0.2
63.99263	0.2
70.35719	0.4
71.01389	0.9
72.99313	0.3
78.91934	0.2
78.95917	0.4
79.57237	0.1
79.95738	0.1
80.96519	0.1
83.01428	0.1
83.05035	0.2
84.71883	0.1
88.98827	0.3
89.02448	0.3
96.96043	0.1
96.96986	0.1
97.02972	0.1
101.02453	0.3
109.06577	0.1
116.92859	0.1
125.02466	0.2
158.43808	0.1
163.11299	0.2
165.12912	0.1
169.01453	0.3
171.10303	0.4
172.75693	0.1
177.85970	0.1
185.11821	0.1
197.11943	0.2
207.10269	0.6
209.11797	1.5
210.12106	0.3
211.13466	0.4
223.09837	0.2
225.11357	0.4
227.12840	0.2
247.64012	0.1
287.16641	0.2
289.18094	0.2
307.19260	0.2
309.20642	0.2
397.13922	0.2
649.73187	0.1
653.58569	0.2
848.47699	0.1
849.38544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98816	1.6
63.96237	1.8
67.98745	0.4
68.88867	0.4
69.03446	0.9
69.83440	0.4
69.99797	2.1
71.01385	9.3
72.75323	0.4
73.02949	2.0
78.98589	6.8
79.95364	0.3
79.95734	16.9
80.96516	88.3
81.03503	0.6
82.29910	0.5
82.96096	1.7
85.02951	2.9
86.84661	0.5
87.00874	2.8
94.98086	18.9
96.14207	0.4
96.95995	2.0
97.02947	1.1
98.19993	0.5
99.00860	0.8
99.59350	0.5
101.02439	2.7
106.98082	3.8
113.44968	0.5
122.97568	3.5
125.02419	3.0
127.04034	0.9
134.97580	6.6
136.99138	1.7
148.99138	6.1
152.98648	6.3
161.78105	0.4
164.98624	12.6
167.00237	0.5
186.02005	0.5
206.99706	2.8
223.45547	0.5
225.00720	16.9
226.01006	0.6
234.93709	0.4
255.23268	1.6
537.27649	0.7
591.24683	0.6
749.42358	0.6
847.48688	100.0
848.49048	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4878
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15618	0.5
61.98830	1.0
63.48686	0.6
63.96251	3.1
67.02718	0.7
69.77708	1.7
69.78142	1.8
71.01382	9.8
73.02953	2.5
78.98591	7.4
79.95737	21.0
80.96519	100.0
81.03422	0.6
81.95290	1.0
82.96106	2.0
83.01398	0.8
85.02946	4.0
87.00867	3.0
94.98087	23.5
96.48015	0.6
96.96014	1.6
97.02950	1.3
99.00897	0.7
101.02443	3.4
106.98089	3.8
122.97601	4.9
125.02444	3.7
127.04011	1.6
134.97572	6.4
136.99173	2.1
148.99126	8.4
152.98631	6.4
164.98633	15.0
167.00189	1.2
197.11887	1.0
206.99724	3.2
211.13515	0.7
225.00745	23.2
255.23256	1.8
364.83591	0.7
501.32980	0.7
537.27271	1.5
591.24683	2.0
847.48712	86.2
848.49091	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
63.95916	0.5
63.96236	2.3
69.03439	0.5
71.01380	10.3
73.02946	1.9
78.95911	1.0
78.98580	8.0
79.95733	20.2
80.96516	100.0
81.03451	0.8
81.96445	0.6
82.96111	2.9
85.02951	3.5
87.00875	4.1
94.98088	20.6
96.96014	1.7
96.97630	0.7
97.02950	2.5
98.19897	1.5
99.00864	1.0
101.02439	4.1
106.98080	3.7
120.99696	0.7
122.97590	5.3
125.02465	3.1
127.04034	1.0
134.97578	6.3
136.99141	2.2
148.99132	7.7
152.98637	7.3
154.80664	0.5
164.98613	14.0
170.52779	0.6
179.00385	0.6
206.99728	2.5
222.56349	0.6
225.00734	20.4
226.01059	1.5
229.19276	0.7
255.23314	2.0
283.04953	1.0
297.86603	0.6
310.78568	0.6
338.90399	0.6
537.27258	1.2
546.37408	0.6
591.24664	1.3
761.40472	1.2
846.46094	0.6
847.48615	98.4
848.48969	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98832	100.0
62.98531	0.2
71.01382	1.4
72.99340	0.1
73.02972	0.2
75.00896	0.6
78.95923	0.4
79.95734	0.2
80.96538	0.4
81.10459	0.1
83.05050	0.3
85.02940	0.1
87.00881	0.2
88.98820	0.4
89.02444	0.2
94.98119	0.1
96.27728	0.1
96.96024	0.8
97.02957	0.2
101.02453	0.2
105.01993	0.1
109.06617	0.2
116.92861	0.2
123.08242	0.1
125.02467	0.3
125.09763	0.1
144.59779	0.1
163.11331	0.3
169.01453	0.4
170.90390	0.1
171.10295	0.6
197.11829	0.2
207.10268	0.6
208.10733	0.1
209.11819	1.8
210.12119	0.2
216.51823	0.1
219.21437	0.1
223.09836	0.2
225.11426	0.4
227.12901	0.2
230.03600	0.1
235.08311	0.2
253.09392	0.2
279.89056	0.1
289.18088	0.3
397.13513	0.4
399.22150	0.1
469.04883	0.2
849.37958	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.1
60.99303	1.7
61.98830	100.0
65.30317	0.8
68.34245	0.8
71.01384	43.3
73.02937	1.6
75.00874	3.6
78.75089	0.9
78.95908	2.1
80.02666	1.1
81.03465	2.3
83.05027	2.9
84.02153	1.0
85.02978	1.3
88.98803	7.0
89.02431	2.7
95.05041	1.1
96.96008	2.8
97.02945	1.9
99.00893	1.2
101.02432	2.8
105.01917	1.0
109.06592	7.2
113.02476	1.9
121.06635	1.4
125.02451	1.1
125.09666	1.4
128.74719	1.0
135.08121	1.6
163.11256	6.6
165.12840	1.1
169.01439	2.1
171.10237	12.0
181.12358	2.1
185.11809	1.6
191.10500	0.9
197.11957	1.3
199.09712	1.6
201.11313	5.3
207.10254	21.8
208.10611	1.9
209.11821	47.6
210.12115	3.5
211.13322	1.2
223.13408	1.0
225.11317	16.4
226.11621	1.4
227.12984	5.8
229.49693	1.3
235.08150	1.8
245.55472	1.1
253.09279	5.2
399.21759	1.2
461.20087	3.5
635.30591	2.7
646.98914	1.0
653.31561	2.4
671.32825	3.7
672.32751	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	847.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.3
60.05426	0.8
60.99306	3.9
61.98830	100.0
64.86957	0.8
67.25402	0.8
69.81665	0.9
70.97938	1.2
71.01386	6.6
72.99310	12.7
73.02959	0.8
73.41669	0.9
75.00890	1.6
78.95900	2.4
79.95689	0.8
80.13039	0.8
80.13573	0.8
80.96511	2.8
83.05050	1.1
87.00865	0.9
88.98805	24.5
89.02453	3.5
89.15424	0.9
89.99141	1.0
90.02810	0.7
90.99217	1.1
91.00359	1.0
94.82456	0.8
94.98125	1.0
96.96009	0.9
97.06591	1.0
101.02434	1.1
109.06609	1.4
111.08172	1.8
114.51772	0.9
125.02428	3.4
147.27556	0.8
151.61929	1.0
163.11261	1.9
165.12817	1.4
169.01414	3.3
169.12236	0.8
171.10309	2.3
185.11852	1.2
197.11830	7.7
207.10300	1.2
209.11818	41.5
210.12132	2.2
211.13383	4.9
225.11278	1.0
227.12856	5.5
235.08212	2.5
253.09254	4.7
291.19644	2.8
309.20715	12.9
310.21161	1.4
318.34406	1.1
325.20102	1.0
349.85269	0.8
445.20682	1.9
826.28906	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
60.62619	0.5
66.21473	0.5
101.21362	0.5
106.89335	0.5
107.10364	0.5
116.10948	0.5
123.00828	0.9
125.02481	0.8
125.71530	0.5
127.67719	0.4
145.02966	2.7
147.04536	1.1
157.02960	1.2
159.04472	1.0
161.02490	0.9
163.00323	0.5
163.03981	1.3
173.02438	2.6
175.04002	1.4
177.01965	0.8
185.02397	3.7
189.01953	1.6
190.02670	1.8
191.03439	3.0
201.01933	3.8
202.02609	0.6
203.03513	3.2
205.01405	0.6
211.04170	0.5
213.01933	1.1
217.01401	2.9
219.02928	1.5
226.99777	0.8
229.01419	9.1
230.01961	1.0
231.02998	1.6
242.99117	0.6
245.00899	3.2
247.02473	8.0
248.02910	0.9
249.04141	0.7
257.00867	6.4
258.01483	2.1
270.98779	1.7
273.00449	4.1
275.01971	16.7
275.32486	0.5
276.02286	1.3
283.99716	2.3
291.01569	1.3
298.98309	2.6
299.98981	2.5
300.99896	100.0
302.00198	7.7
319.00967	0.5
423.23560	0.5
453.06821	1.1
481.06412	4.5
513.08850	1.3
658.40393	0.6
686.75519	0.5
755.07672	0.9
783.06830	3.9
783.58716	0.6
784.07153	0.8
787.10236	1.5
815.09546	9.4
816.10107	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	845.514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.1
60.99321	0.4
61.54346	0.1
61.98829	100.0
63.80043	0.1
69.22728	1.3
71.01373	0.3
75.00879	0.6
75.48985	0.1
78.95917	0.4
88.98808	1.5
89.02464	0.2
98.19889	0.3
106.31566	0.1
115.16837	0.2
116.92861	0.3
125.09760	0.2
129.10364	0.6
169.01404	0.3
171.10277	0.2
197.11823	0.5
207.15028	0.3
209.11896	0.3
224.17844	0.2
242.18756	0.2
253.09331	0.1
274.10864	0.2
295.21579	0.2
309.20587	0.2
355.26953	0.1
782.51843	4.0
783.52081	1.5
845.45282	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.3
60.99311	0.4
61.98833	100.0
63.50652	0.2
70.35279	0.6
71.01401	0.3
72.99329	0.4
75.00879	0.4
75.50623	0.2
78.95918	0.4
88.98809	2.5
89.02432	0.3
91.12109	0.2
95.11449	0.2
102.89308	0.2
103.00382	0.2
105.01943	0.9
125.02472	0.2
181.12485	0.2
209.11835	0.3
219.60329	0.2
235.58420	0.2
242.10451	0.2
277.21823	0.2
279.23096	0.2
301.00150	0.2
396.79181	0.2
760.43988	0.2
866.19366	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4542
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.2
60.99314	0.9
61.98833	100.0
69.03457	1.0
71.01386	9.3
71.50304	0.8
73.02946	1.3
75.00877	2.3
78.95902	1.7
81.03397	0.8
83.05002	0.9
85.02956	1.8
87.00881	3.5
88.98811	6.9
89.02454	7.8
95.05029	1.0
97.02863	0.8
97.06592	9.0
101.02457	5.9
113.02451	2.8
119.03509	2.0
123.08211	5.1
125.02409	2.6
125.09728	62.3
126.10036	3.0
143.03432	0.9
143.10725	1.1
161.04498	0.9
169.01389	1.1
169.08643	1.4
171.10266	3.1
187.09761	42.0
188.10115	1.8
191.05640	2.2
197.11780	1.4
209.11763	3.2
210.12328	0.8
221.06729	2.4
225.11224	1.4
255.23160	1.3
277.21677	7.9
300.99994	1.4
309.20667	1.1
349.52246	0.8
397.13364	0.9
406.12225	0.9
495.70837	1.0
507.23975	0.9
567.22864	1.4
585.23944	3.6
782.51392	4.0
783.53528	1.0
820.69818	0.9
845.45374	64.3
846.45575	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	845.4719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
61.98818	1.9
62.21074	0.7
63.96224	2.1
69.03461	1.2
69.61015	4.2
71.01379	10.6
73.02938	1.7
78.95908	3.1
78.98586	6.7
79.95731	19.8
80.96513	100.0
81.03465	1.1
85.02962	3.9
87.00859	2.7
88.83160	0.8
94.98085	20.5
96.95984	1.8
97.02943	2.6
98.19950	0.8
101.02436	2.7
106.98078	3.8
115.92119	0.8
118.36651	0.7
122.97598	4.3
125.02433	2.7
127.03987	1.0
134.97585	7.5
136.99103	2.2
148.99132	8.1
152.98615	5.9
164.98607	11.9
167.00160	0.9
193.19098	0.7
206.99666	3.1
216.73344	0.7
225.00720	16.7
255.23335	2.6
283.04724	1.2
385.88284	0.8
537.27448	1.2
589.23035	1.1
845.47205	81.7
846.47552	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	845.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	1.4
59.01384	22.3
61.98831	42.2
67.29415	1.1
69.03433	1.4
69.91922	4.8
69.92315	2.6
71.01379	18.2
72.99292	3.1
73.02938	2.4
74.89310	1.1
78.11453	1.2
78.95883	3.3
83.01392	2.0
83.05000	1.1
83.57487	1.2
85.02935	4.2
87.00862	4.9
88.98792	4.5
89.01994	1.4
89.02445	12.6
95.01387	1.4
95.05008	2.8
97.02935	2.8
97.06583	14.2
99.00855	1.9
101.02453	12.4
113.02448	5.3
113.49728	1.2
119.03448	3.4
120.80453	1.0
123.00864	1.2
123.08157	9.6
125.02422	6.0
125.09724	81.6
126.10059	2.7
143.19084	1.2
161.04550	1.4
169.01448	2.4
169.08638	1.9
171.10281	3.5
171.46782	1.1
187.09749	35.8
188.10031	2.1
197.11757	3.0
207.10170	2.1
209.11836	4.4
221.06740	1.7
225.11319	1.4
235.08188	2.5
253.09154	2.4
277.21710	29.7
278.22028	2.6
293.21271	1.9
309.20749	2.6
397.13452	4.9
567.22925	2.1
585.24274	2.5
845.45367	100.0
846.45605	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	22.5
60.99311	6.3
61.98833	48.9
68.99822	3.2
69.03448	3.2
69.09874	1.8
70.02743	1.9
71.01382	84.8
72.99314	3.7
73.02940	3.3
75.00851	2.4
78.95916	3.5
81.03468	4.3
83.01382	3.0
83.05016	9.8
84.02172	2.6
85.02956	6.2
87.00876	6.3
88.98812	30.8
89.02441	8.2
95.01390	3.2
95.05038	2.7
96.06695	1.9
97.02972	9.0
97.06579	3.5
99.00883	3.0
101.02436	7.5
102.28368	2.0
104.03582	2.6
105.01933	14.4
109.06584	29.6
109.52397	1.9
110.03736	3.3
110.06930	2.3
111.04510	8.9
113.02458	4.4
118.54784	1.8
121.06629	2.2
123.00901	2.0
125.02443	15.9
125.09709	7.1
130.42108	1.9
135.08163	3.4
142.02722	3.2
161.04588	3.1
161.09715	6.8
163.11287	19.3
165.12852	2.7
166.99890	2.5
169.01430	15.3
170.01724	2.1
171.10254	27.1
177.09186	2.2
179.10754	7.1
181.12360	7.6
185.11850	5.6
187.09790	2.1
189.09235	2.3
197.11836	5.9
199.09758	5.4
199.13463	2.5
201.11284	4.6
205.08609	17.8
207.10257	63.8
208.10701	6.0
209.11821	100.0
210.12163	6.8
213.11316	4.2
221.11745	3.1
223.09755	33.6
224.10100	2.5
225.11319	34.9
226.11664	2.8
227.12820	12.4
235.08258	4.9
239.12714	2.2
241.10849	2.3
253.09317	15.7
263.12915	2.1
300.99884	4.0
371.02597	2.1
397.20169	2.3
415.21378	4.5
433.21933	2.6
459.18787	5.3
461.20172	9.5
469.05627	4.2
625.28265	4.5
651.30591	9.9
669.30859	14.7
687.32367	8.7
692.35925	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	845.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.5
60.99306	18.1
61.98832	4.7
63.57135	0.2
67.13901	0.2
71.01391	1.3
71.49896	0.2
71.50297	0.3
72.99314	0.4
78.95909	0.4
85.02967	0.3
87.00876	1.0
88.00414	1.6
88.98806	100.0
89.02447	6.0
89.99133	1.1
96.96034	0.3
101.02419	0.2
107.01395	0.3
109.06530	0.2
121.80032	0.2
123.49455	0.2
125.02428	1.0
169.01428	1.3
171.10254	1.0
197.11845	0.4
207.10255	0.7
209.11804	3.7
210.12212	0.4
211.46191	0.3
225.11365	0.5
227.12866	0.8
248.10138	0.2
253.09367	0.4
279.15463	0.2
289.18237	0.2
291.19867	0.3
293.21326	0.6
300.99945	0.5
302.00137	0.3
307.19446	0.3
309.20737	0.7
397.13464	0.5
423.43399	0.3
468.55002	0.3
675.01141	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.9
60.99309	2.1
61.98833	100.0
71.01392	3.0
71.49910	0.7
72.99310	3.3
75.00872	3.2
78.95909	0.7
81.03465	0.7
83.05041	1.6
85.02992	0.7
87.00874	0.9
88.00409	0.7
88.98808	10.6
89.02454	2.0
95.01408	0.6
97.02966	0.6
97.06606	0.8
101.02452	2.1
109.06625	1.1
113.02485	1.2
123.04541	0.6
125.02461	1.7
125.06117	0.5
125.09711	0.9
135.08153	0.8
137.09647	0.6
161.04536	0.9
163.11288	2.5
165.12863	0.7
169.01466	2.1
171.10284	3.4
185.11859	1.3
191.14478	1.3
197.11848	0.6
207.10289	2.2
209.11824	38.2
210.12167	2.9
211.13399	1.2
223.13437	0.7
225.11404	2.0
227.12869	4.5
235.08287	1.0
237.11180	0.6
245.19131	1.9
253.09305	3.6
261.92291	0.6
289.18091	8.6
293.21185	3.5
301.00180	0.5
307.19144	9.4
308.19586	1.4
309.20642	0.6
397.13757	0.7
437.42795	0.5
445.20941	0.6
478.06299	0.6
514.74963	0.6
636.82422	0.6
735.40668	0.6
753.41528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.9
59.09571	0.8
60.99304	10.5
61.98830	100.0
67.33152	0.7
71.01378	7.6
71.04672	1.4
71.05005	1.2
71.16296	0.8
72.99319	1.8
75.00874	1.3
78.95889	1.3
80.96492	0.8
83.05022	1.9
88.98808	59.8
89.02451	3.5
95.54399	0.9
97.06624	1.7
101.02425	2.0
105.01942	1.8
109.06564	1.6
120.01225	1.6
125.02431	2.8
135.08237	1.2
144.72939	0.8
163.11331	1.6
165.12875	1.6
169.01445	3.5
171.10298	3.3
179.10725	1.0
181.12352	1.7
191.10699	0.8
197.11871	1.1
201.11316	1.0
207.10275	4.2
209.11836	32.8
210.12129	3.1
211.13533	1.3
220.92598	0.8
225.11371	4.3
227.12906	5.3
235.08220	1.4
253.09283	3.8
263.20020	1.7
266.35645	0.8
289.17838	1.0
293.21103	1.8
307.19144	5.5
374.78406	0.9
445.20645	1.2
461.19949	1.3
525.26105	1.2
543.28180	1.5
583.62933	1.1
651.30640	1.0
669.31421	1.3
695.91339	1.2
846.43756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.4
60.99309	18.4
61.98830	5.2
70.75635	0.3
70.75984	0.6
71.01388	0.9
72.99326	0.3
75.00871	0.3
78.95910	0.4
87.00891	1.3
88.00399	2.3
88.98812	100.0
89.02448	7.1
89.99151	1.1
95.05000	0.3
101.02484	0.3
123.00872	0.3
125.02422	0.8
125.09731	0.3
143.03705	0.3
164.58589	0.2
169.01418	0.6
171.10324	0.9
176.38983	0.3
197.11824	0.7
207.10278	0.6
209.11797	2.1
210.12187	0.5
225.11363	0.6
227.12979	0.4
231.89442	0.3
281.66037	0.3
293.21362	0.8
294.19968	0.3
309.20773	0.7
397.13580	0.5
603.31183	0.3
777.18506	0.4
845.40515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.2
60.99305	19.2
61.98830	3.5
70.06062	0.4
71.01381	2.0
71.50350	0.6
78.95905	0.6
87.00867	1.1
88.00407	1.6
88.98804	100.0
89.02440	7.3
89.02946	0.6
89.99156	0.9
95.00229	0.4
96.96019	0.9
101.02444	0.6
112.35586	0.4
116.92797	0.7
125.02470	0.7
130.01109	0.5
146.37692	0.6
169.01457	1.0
171.10263	3.1
172.10703	0.4
195.13908	1.0
197.11998	0.4
205.12476	0.6
207.10268	0.9
209.11888	2.0
211.13405	0.5
223.13412	4.8
225.11235	0.5
225.14952	0.6
235.08282	0.7
253.09302	1.1
271.04196	0.4
291.19666	1.3
311.22446	0.5
320.95154	0.4
341.23270	4.4
395.01273	0.4
397.13177	0.6
459.22360	1.3
602.81519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	21.9
59.26241	5.9
61.98829	41.4
69.41376	30.3
69.41806	19.8
71.01382	15.9
74.65051	7.6
76.18806	6.0
78.95917	20.3
85.02957	6.5
87.00941	9.1
89.02445	8.8
89.92200	5.7
101.02466	14.8
113.02464	14.1
116.92878	35.0
124.26782	7.1
167.89803	7.6
171.10275	100.0
179.05614	7.7
182.54485	6.4
235.08302	7.6
255.23296	75.9
281.24820	7.6
343.21082	9.0
348.22388	6.5
379.12457	25.2
390.88293	6.1
397.13452	55.8
415.14816	13.3
445.77786	6.0
520.89374	7.3
551.23608	14.4
571.92084	8.2
635.37042	8.7
649.04266	6.8
653.37744	12.1
793.54736	10.6
832.69165	7.1
843.45496	55.8
844.45087	17.7
875.07739	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	843.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	72.9
71.01382	15.9
71.28240	1.6
72.99335	1.5
73.02949	2.7
81.01588	1.0
83.01392	2.3
85.02941	5.6
87.00848	1.0
89.02444	11.9
93.96883	1.0
95.01398	1.6
96.96023	1.8
101.02433	10.9
101.03027	1.2
104.88393	1.0
113.02448	9.3
119.03529	4.7
120.05807	2.0
123.00900	1.0
125.02445	3.3
131.47604	1.1
133.10231	2.4
135.11800	11.2
143.08675	1.1
146.07356	2.4
147.20746	1.1
159.11752	2.4
161.04541	3.4
161.09721	20.6
169.01440	3.3
179.05638	2.8
179.10777	54.5
180.11157	3.5
203.10802	8.1
205.08670	1.5
209.15477	1.2
221.11778	2.8
223.09749	100.0
224.10065	7.7
265.10767	1.6
353.19620	2.4
371.20697	2.0
385.14993	39.0
386.15338	3.2
399.12460	1.2
413.21793	6.2
451.82669	1.2
539.21222	2.0
678.79449	1.1
691.22754	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	61.1
67.95670	27.8
68.99576	44.1
78.95927	54.2
90.99494	26.4
93.32164	29.2
112.98573	86.1
196.89464	50.8
197.11876	31.0
215.42587	22.8
253.09189	25.3
277.21750	100.0
309.20670	56.4
348.18829	24.2
473.66275	29.0
664.74622	27.9
841.48932	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.9
61.98821	1.2
67.01894	0.6
69.03455	0.6
71.01379	3.1
72.34225	0.5
72.99290	1.2
73.02956	1.2
74.11636	0.5
79.01897	0.9
81.03463	0.7
83.01377	0.8
85.02940	1.4
87.00859	0.7
89.02425	0.7
93.03452	1.1
95.01376	1.8
96.96024	0.7
97.02943	1.5
99.00896	0.7
101.02400	1.6
107.01395	6.6
109.02962	0.9
110.00089	0.6
111.00891	2.4
113.02437	1.0
116.92888	1.0
119.05132	0.5
123.00887	11.5
124.01717	2.4
125.02452	41.3
126.02736	0.9
127.00346	1.2
130.75105	0.5
136.98792	1.7
137.02481	1.1
138.06863	0.6
139.00371	5.6
139.03973	0.7
140.01192	4.4
141.01907	1.3
145.02956	0.6
149.02516	0.5
151.00368	5.6
153.01958	1.0
153.09198	1.4
163.04015	1.0
166.02678	0.5
166.99837	0.6
168.00635	6.4
169.01427	41.2
170.01796	1.5
175.03975	0.6
179.03510	0.8
181.04991	0.6
183.03001	0.5
193.01399	0.7
207.02850	0.6
211.02472	2.5
225.15041	0.8
237.04120	0.5
268.98590	0.5
295.04446	0.5
297.06198	0.7
300.99936	1.5
313.05655	1.5
436.33594	0.5
445.48404	0.5
464.45432	0.6
493.75363	0.6
521.20343	8.5
522.20752	1.5
539.21326	13.3
540.21631	2.2
691.22400	100.0
692.22748	17.7
733.06696	0.6
843.23340	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	841.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
61.98835	0.8
70.32901	0.2
70.62072	0.3
70.62386	0.2
73.02947	2.4
75.00870	0.3
78.95903	0.2
83.79203	0.2
90.44421	0.2
90.86293	0.2
91.76917	0.2
96.96030	0.3
99.00882	0.8
99.92587	12.5
100.92596	0.5
114.93416	0.5
116.92866	100.0
116.97241	0.5
117.01947	4.4
117.92873	5.4
245.34335	0.2
253.09193	0.2
278.22141	0.3
311.22351	0.7
380.23611	0.2
485.85382	0.2
575.65503	0.2
618.40979	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
59.65771	0.1
61.98832	0.5
70.51594	0.1
71.01380	0.2
73.02948	2.5
75.00899	0.1
78.95894	0.2
80.96555	0.1
87.00886	0.2
96.96107	0.1
98.20744	0.3
99.00893	0.6
99.92587	13.4
100.92586	0.5
104.48310	0.1
114.15813	0.1
114.93414	0.6
116.92863	100.0
116.97174	0.8
117.01941	4.0
117.92868	5.2
143.73346	0.2
166.75940	0.2
209.11836	0.2
229.19537	0.2
277.21674	0.2
498.52469	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	72.1
70.72517	64.6
78.78344	21.8
78.95893	85.2
80.96507	100.0
94.98125	26.1
101.19438	25.3
107.06880	22.3
116.92804	34.7
196.89381	44.8
234.62624	23.6
277.21793	25.4
279.23190	37.1
289.18109	34.1
323.38272	24.3
331.22922	29.3
435.92053	26.2
577.73291	25.8
686.97272	24.8
735.40051	31.9
749.41895	36.0
839.45941	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	839.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.8
61.98836	9.1
68.65369	0.5
69.03486	1.3
69.50789	0.4
69.99536	0.9
69.99900	1.7
71.01388	10.4
73.02961	1.4
76.35666	0.5
78.95915	0.8
80.02699	0.5
80.32203	0.4
81.03497	0.5
83.01405	0.7
83.05042	1.0
85.02963	6.6
86.49902	0.5
87.00893	2.2
89.02448	4.0
95.01410	0.6
95.05096	0.5
96.96017	1.3
96.97027	0.5
97.02982	1.5
97.06614	2.6
98.20583	0.5
99.00918	0.5
100.55115	0.6
101.02447	6.0
101.03002	0.5
109.06615	1.1
113.02440	3.0
115.04061	0.6
119.03526	1.5
125.02455	1.4
125.09752	1.8
127.11329	1.2
137.09756	1.5
141.52748	0.4
145.05096	0.9
155.10811	1.2
161.04613	3.0
163.11241	1.0
165.12892	1.1
169.01443	1.7
169.71910	0.4
171.10278	20.1
172.10648	0.4
177.12869	0.9
179.05644	0.7
179.10861	0.4
181.12434	0.7
183.13962	2.4
184.48032	0.5
185.11841	0.8
193.12430	0.8
195.13924	8.0
196.14377	0.6
197.11902	1.0
201.11359	1.0
207.10327	3.4
209.11873	5.2
211.13406	14.2
212.13776	1.1
215.12936	0.9
221.11783	1.8
223.09694	0.8
223.13414	4.8
225.11339	2.5
225.14864	0.5
225.75633	0.4
228.13579	1.2
229.14464	9.8
235.08244	6.9
239.12889	1.8
253.09309	34.7
254.09682	1.6
256.13184	0.9
275.20197	5.1
291.19708	4.2
293.21255	100.0
294.21585	9.6
309.20758	5.8
310.21127	0.5
327.21777	73.7
328.22064	7.0
469.05109	1.1
479.88394	0.5
485.18970	0.5
529.30164	1.9
545.29370	1.1
563.30798	6.1
564.30945	1.4
603.42310	4.3
604.42902	1.6
770.68958	0.5
775.90649	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.7
61.98829	43.3
70.00175	6.9
71.01379	8.1
80.96528	3.8
81.03466	2.1
83.05021	4.8
89.02440	5.0
90.88876	1.9
96.95998	2.7
97.02959	3.4
101.02419	3.6
102.90514	2.0
109.06598	4.8
116.72060	2.0
125.09746	4.4
161.04601	1.9
163.11345	8.3
171.10307	9.0
191.14432	3.6
196.18893	2.0
197.11827	8.1
199.09723	2.5
199.13283	1.9
201.11314	3.0
202.03389	2.2
207.10269	9.1
209.11819	100.0
210.12154	4.7
211.13295	4.6
225.11256	15.0
227.12871	21.5
235.08221	4.9
243.12369	3.3
245.19034	3.3
253.09383	18.1
263.19919	2.3
289.18091	21.7
291.19693	6.9
307.19101	26.8
308.19574	2.3
309.20728	19.0
310.21182	2.3
327.21716	2.9
445.20685	3.2
461.20233	3.9
500.81290	2.2
608.57648	2.3
697.32941	2.3
753.41260	2.2
771.42139	4.9
839.40948	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	839.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.2
61.98830	73.1
69.03458	2.4
71.01381	100.0
71.05043	1.6
72.99297	1.6
73.02940	2.8
78.95905	4.2
79.95093	1.4
80.96520	3.4
81.03466	3.1
82.95415	12.0
83.01424	2.3
83.05042	3.5
84.02187	2.0
85.02951	5.9
87.00881	3.7
88.98782	2.1
89.02473	3.8
95.01401	2.6
95.05038	2.0
96.96008	6.1
97.02956	5.3
97.06574	4.5
98.20741	3.8
99.00858	4.0
101.02450	7.3
109.06583	31.6
110.06928	1.8
113.02492	4.3
116.92864	3.1
123.00857	1.9
125.02459	11.3
125.09721	8.6
135.08163	4.4
139.07652	2.2
142.02628	2.3
145.04970	1.6
161.04572	4.0
161.09697	3.7
163.11290	17.9
165.12749	2.1
169.01390	9.4
171.10251	24.8
172.22472	1.5
179.10793	3.8
181.12334	9.1
185.11836	6.2
187.09703	4.0
197.11850	5.6
199.09744	6.0
199.13382	2.0
200.74687	1.6
201.11304	7.7
202.11533	1.8
205.08673	6.6
207.10251	65.8
208.10602	3.0
209.11836	42.6
210.12117	2.8
211.13342	10.8
213.11368	3.1
215.12862	4.7
223.09731	13.0
225.09222	3.2
225.11316	41.2
226.11742	3.6
227.12923	5.2
228.25041	1.9
229.14453	3.2
233.97687	1.7
235.08247	3.3
243.12488	2.4
253.09293	21.4
275.20044	2.6
291.19614	3.7
293.21173	20.6
294.21576	2.8
309.20685	4.3
310.20847	2.4
327.21750	19.7
397.20432	2.1
427.81793	1.7
461.20233	9.2
469.05154	3.7
469.55521	1.7
563.30756	2.4
616.30975	4.5
651.30273	1.8
669.31549	4.0
687.32330	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	839.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
70.03526	0.2
70.81738	0.5
71.01394	0.3
117.03442	0.3
125.02438	0.5
138.15663	0.3
145.02913	1.1
147.04495	0.4
157.02910	0.5
161.60748	0.2
163.03981	0.5
169.01363	0.4
173.02441	1.4
185.02435	2.1
189.01830	0.4
201.01953	1.6
226.99879	0.4
229.01349	3.0
245.00905	1.1
257.00906	1.3
271.04523	0.7
273.00385	0.2
283.99637	2.2
299.99045	2.0
300.99878	100.0
302.00226	7.6
623.51691	0.3
640.87024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.2
61.98831	4.2
67.01880	0.2
68.99573	1.1
69.03449	1.1
70.04855	0.9
71.01377	4.6
73.02932	1.5
78.95901	0.4
80.96512	0.9
80.99603	0.2
83.01384	1.5
83.05027	1.1
84.02171	2.5
85.02953	1.6
87.00887	1.5
89.02446	3.6
94.62231	0.3
95.01412	0.4
95.05008	0.4
96.96964	0.3
97.02957	1.7
97.06590	5.0
99.00881	0.5
99.04511	1.0
101.02448	5.4
102.01299	0.2
112.98563	1.1
113.02460	2.2
119.03497	1.4
120.72932	0.3
124.84037	0.3
125.02486	0.5
125.09701	1.1
127.07591	0.3
127.11274	0.4
131.63510	0.3
133.05089	0.8
135.08121	0.4
137.09695	0.7
143.03479	0.4
145.05072	0.9
149.13390	0.3
157.05069	0.5
161.04541	2.6
171.10258	10.6
172.10587	0.5
175.11324	0.4
179.05560	0.5
183.13849	0.7
185.11832	0.7
193.12317	7.1
197.11818	0.3
209.11838	0.6
211.13385	2.3
217.07236	0.3
221.11797	0.8
225.14958	11.0
226.15230	0.6
235.08217	11.6
236.08560	0.5
241.14291	0.3
243.15987	4.8
244.16310	0.4
253.09271	18.0
253.14511	0.8
254.09621	0.8
259.20767	0.4
273.18591	0.4
275.20215	0.5
277.21707	100.0
278.22043	8.7
291.19644	1.9
305.21198	0.8
323.22260	2.5
341.23297	78.4
342.23633	8.7
365.23511	0.3
513.30463	0.4
559.31268	0.6
577.32257	1.7
601.44733	3.8
602.44965	1.0
615.88623	0.3
655.64038	0.3
674.27448	0.3
764.35602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.7
61.98833	0.8
67.21424	0.4
69.03465	1.1
69.43085	2.2
71.01396	4.1
73.02961	1.0
76.89059	0.4
83.01379	0.5
83.05057	0.5
85.02956	1.5
87.00884	0.9
89.02441	3.4
92.17696	0.4
93.07089	0.4
97.02937	0.4
98.19835	0.6
101.02445	3.8
109.06579	0.6
111.08164	13.0
112.08491	0.7
113.02415	2.1
119.03522	1.1
121.61925	0.3
125.02357	0.4
127.07695	1.2
137.09744	0.4
143.03490	0.6
151.11282	1.1
153.09248	0.5
153.12849	1.3
155.78830	0.4
161.04555	2.4
163.11342	0.4
167.10651	0.4
169.12321	5.7
170.12694	0.5
179.05608	0.8
181.12315	1.7
183.13922	1.2
193.12424	0.5
197.11829	65.0
198.12154	3.9
199.13391	4.2
209.11758	0.6
211.13388	9.4
212.13660	0.8
227.12909	2.0
235.08182	2.3
247.20485	0.6
253.09290	24.3
254.09544	0.9
263.20123	3.7
264.20645	0.4
265.18112	1.7
273.18683	1.4
291.19669	22.4
292.20035	2.2
309.20703	100.0
310.21045	9.7
368.88797	0.4
374.83224	0.3
433.20636	0.7
519.76379	0.3
527.29059	0.4
545.29773	1.8
601.41278	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	837.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.3
60.69034	0.3
61.98825	3.0
68.99570	100.0
69.03456	0.7
69.99899	0.4
70.64758	1.0
71.01377	2.9
72.99297	0.3
73.02948	0.9
78.95901	1.4
83.01399	0.7
83.05029	1.2
85.02929	0.8
87.00888	1.1
89.02445	1.5
93.03436	0.4
94.06686	0.3
95.05058	0.5
96.96013	3.6
97.02947	0.8
97.06605	0.8
101.02452	2.4
109.06618	0.5
109.58790	0.3
110.98582	0.4
111.00889	0.4
111.08168	5.3
112.08498	0.5
112.98564	74.5
113.02437	2.0
113.09704	0.5
113.98923	1.1
119.03477	0.6
125.09737	0.6
151.11253	0.9
153.12881	0.4
161.04530	1.1
163.11247	0.4
165.12840	1.1
167.10771	0.9
169.12329	1.5
171.10237	0.8
177.12787	0.9
179.10742	0.5
181.12325	0.9
183.13928	0.6
191.10747	0.4
195.13893	2.5
197.11818	17.2
198.12090	2.0
199.13466	0.7
201.11363	2.1
209.11810	4.1
210.12173	0.5
211.13438	2.3
223.13336	0.6
227.12938	1.4
235.08157	1.4
245.19124	0.8
247.20621	0.9
253.09265	6.6
254.09677	0.5
255.23332	0.8
263.20114	2.1
264.20502	0.6
265.17911	0.4
275.20123	1.1
277.21744	1.2
289.18060	1.7
290.18765	0.7
291.19644	29.3
292.19958	3.8
293.21216	6.5
294.21542	0.7
307.19138	3.8
308.19446	1.4
309.20706	16.5
310.21051	3.3
311.22144	1.6
337.21759	0.3
351.49600	0.3
397.13443	0.6
445.20682	0.3
446.20538	0.3
586.38092	0.4
631.82617	0.3
837.46503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.7
61.98837	1.9
62.93701	0.3
69.03459	0.7
69.20001	3.3
71.01381	4.2
71.25740	0.3
72.99315	0.4
73.02941	1.2
76.14092	0.3
78.95867	0.4
81.03461	0.3
83.01379	0.5
83.05019	0.6
85.02947	0.9
86.87834	0.4
87.00880	0.6
89.02438	3.0
91.75429	0.3
95.01409	0.4
96.96045	0.5
97.02946	0.6
97.06569	0.5
101.02441	4.9
109.06593	0.8
111.08159	11.2
113.02426	2.2
119.03506	0.9
123.08165	0.5
125.02455	0.4
125.09742	0.4
127.07632	1.5
133.05101	0.3
143.03447	0.4
151.11298	1.1
153.09219	0.6
153.12857	1.8
161.04564	2.4
163.84715	0.3
165.12802	0.5
167.10727	0.6
169.12334	5.2
170.12556	0.4
171.10332	0.5
179.05571	0.7
179.10736	0.8
181.12375	1.7
183.13911	1.4
193.12355	0.8
195.13887	0.4
197.11819	58.3
198.12177	3.6
199.13406	3.9
209.11795	0.5
211.13390	11.7
212.13661	0.7
225.81726	0.3
227.12909	1.0
235.08205	1.9
253.09280	23.9
254.09642	1.3
263.20114	5.5
264.20621	0.6
265.18030	1.1
273.18509	0.9
289.17984	0.7
291.19650	18.8
292.20013	2.2
293.20975	0.4
307.19092	0.5
308.19598	0.4
309.20706	100.0
310.21033	10.5
329.17636	0.4
433.20789	0.4
527.29071	0.5
545.29315	2.2
546.30200	0.5
601.40759	2.3
602.41223	0.4
687.48798	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.0
61.98833	2.0
69.03452	0.8
70.24636	0.4
70.24984	1.2
71.01379	4.8
73.02943	1.1
78.95942	0.4
80.02663	0.3
83.01380	0.4
83.05030	1.0
84.02116	0.5
85.02949	1.0
87.00872	0.8
89.02442	3.9
93.07112	0.4
95.01392	0.7
97.02952	1.4
97.06625	0.5
101.02439	4.5
104.84754	0.4
109.06609	1.1
110.17757	0.3
111.08158	16.9
112.08481	0.5
113.02438	2.5
119.03512	0.8
123.08154	0.4
125.09780	0.5
127.07658	0.9
131.03482	0.4
137.09756	0.4
141.09180	0.8
143.03560	0.4
151.11266	1.0
153.09154	0.5
153.12920	1.6
161.04543	2.0
163.11264	0.4
165.12833	0.7
166.93930	0.3
167.14412	0.3
169.12326	7.3
169.13686	0.5
171.10231	0.9
179.05608	0.9
179.10757	0.6
179.14371	0.6
181.12343	1.4
183.13901	1.0
193.12309	1.0
197.11819	80.1
198.12177	4.7
199.13344	4.3
209.11789	0.6
211.13367	11.7
212.13664	0.6
223.13277	0.4
227.12872	2.5
229.19528	0.4
235.08229	2.4
247.20578	1.0
253.09265	21.1
254.09654	1.2
263.20135	4.1
265.18042	2.2
273.18503	1.5
289.39264	0.3
291.19641	27.7
292.19864	2.6
304.15518	0.3
309.20691	100.0
310.21045	10.5
403.26236	0.4
433.20639	0.8
527.28418	1.0
545.29523	2.3
566.97046	0.4
569.18097	0.4
601.41089	2.3
602.40784	0.6
619.56702	0.4
837.49133	0.5
838.50903	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.0
67.01878	0.5
69.03471	0.6
69.33712	2.6
71.01373	2.5
72.99297	0.5
73.02949	0.9
79.01895	0.5
83.01375	0.7
85.02956	6.5
86.74062	0.3
87.00860	1.5
89.02457	0.5
93.03452	2.8
95.01362	1.4
96.95999	0.6
101.02453	1.3
103.77355	0.3
104.46390	0.3
107.01411	2.4
109.02957	0.7
111.00888	1.0
111.04520	1.1
113.02451	0.8
119.05016	0.3
123.00892	7.1
124.01669	0.4
125.02439	9.7
127.03988	1.9
136.98790	0.7
139.00386	3.0
140.01186	1.6
141.01854	0.5
145.02963	0.7
151.00369	5.3
163.04016	1.5
168.00642	1.8
169.01414	13.5
170.01747	0.7
173.04527	1.5
184.49046	0.4
191.05606	100.0
192.05949	3.1
211.02454	2.4
244.76297	0.3
253.03401	0.4
256.48944	0.4
271.04611	4.2
313.05591	2.3
331.06567	0.3
337.09271	27.9
338.09662	2.2
342.14948	0.3
499.18222	80.7
500.18536	11.9
542.98505	0.3
588.28625	0.4
640.54456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	1.4
59.01379	14.3
61.98838	5.4
69.03465	2.0
71.01394	11.0
73.02946	2.7
78.95895	3.1
81.03470	1.1
83.01382	2.6
83.05003	2.7
85.02930	3.3
87.00887	2.2
89.02467	6.1
95.01347	1.5
95.05062	2.6
95.19193	1.2
96.96021	13.4
96.96952	1.3
97.02943	2.7
97.06588	4.6
98.25475	1.0
101.02451	9.9
103.89584	1.1
109.06606	1.5
111.08182	10.5
112.08531	1.3
113.02451	4.3
116.92841	1.5
117.02526	1.0
119.03473	2.5
123.04529	1.4
123.08170	2.1
125.09737	9.2
137.09691	2.4
141.09241	1.2
141.12891	1.1
145.49794	1.1
161.04543	4.1
161.09811	1.4
163.11244	3.8
165.12857	2.9
167.10733	3.4
169.12317	3.6
171.10280	2.8
177.12863	3.2
179.05562	1.6
179.10738	2.2
181.12300	3.2
185.11806	5.9
186.12143	1.2
191.10762	2.2
191.14374	5.8
195.13916	12.9
197.11841	31.9
198.12123	4.5
199.13483	2.2
201.11281	5.2
201.32582	1.2
202.81776	1.0
205.12170	1.2
207.10309	1.9
209.11836	17.6
211.13376	6.0
223.13391	9.7
225.11308	1.9
227.12859	5.1
235.08162	4.5
236.47104	1.1
237.11194	2.6
245.19102	11.6
247.20665	2.1
253.09288	25.8
254.09668	2.8
255.23351	1.2
256.13174	3.1
263.20135	3.5
265.18002	1.4
271.17093	2.1
275.20273	6.3
276.20398	1.3
277.21738	3.1
287.12366	1.0
289.18115	37.9
290.18448	5.5
291.19681	64.0
292.19940	8.1
293.21234	100.0
294.21619	12.5
307.19141	28.3
308.19452	6.4
309.20691	32.0
310.20926	6.1
311.21918	1.6
397.13208	1.3
442.33801	1.2
729.65997	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	837.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	2.0
70.75414	1.4
79.86012	0.7
83.01398	2.7
84.01746	0.7
85.02946	1.5
93.03483	0.7
95.01451	0.9
96.89909	0.7
107.01396	3.2
108.02220	0.7
109.02937	2.1
111.00919	0.9
121.02937	1.0
123.04524	2.2
125.02445	53.5
125.58416	0.6
126.02754	2.0
137.02467	1.9
139.04007	1.6
144.04539	0.8
149.02463	6.3
150.03209	1.1
151.00368	18.9
151.04030	0.9
152.00952	1.2
153.01936	18.1
161.02486	1.0
163.03983	0.7
165.01944	0.8
165.09192	2.8
167.03421	0.8
174.03159	1.1
175.00380	4.4
175.04002	6.5
177.00485	1.1
177.01907	10.9
178.99863	12.1
181.01418	8.9
188.04823	1.5
189.05553	1.8
190.05099	1.2
191.03513	1.6
191.07147	1.7
195.02951	1.8
199.04002	3.3
201.01929	1.0
205.01427	1.2
208.36978	0.6
209.08176	6.3
210.66948	0.6
217.05112	3.9
223.04613	1.2
231.06284	0.8
236.34950	0.6
240.04115	1.0
241.05098	2.9
244.95030	0.7
259.06158	2.1
275.05609	12.8
276.06049	0.9
285.04034	31.5
286.04352	2.4
299.05646	3.7
303.05081	100.0
304.05350	8.3
313.05750	0.8
327.05066	1.1
341.05161	4.7
343.06619	2.3
359.47729	0.6
371.09283	0.8
371.13705	2.9
437.10934	1.5
447.09250	2.0
465.10370	18.7
466.10806	1.8
507.91559	0.9
831.49316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.516
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98539	0.2
64.77415	0.1
71.12448	0.2
78.50097	0.1
79.12596	0.1
79.60451	0.1
80.96497	0.2
131.09630	0.1
131.87871	0.1
140.72591	0.1
141.72542	0.1
189.28664	0.1
221.50455	0.1
352.98660	0.1
512.29169	0.1
551.33044	0.1
837.48987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.98832	100.0
62.98524	0.2
68.99570	0.2
71.01397	0.4
85.02953	0.1
89.02460	0.2
96.96047	0.1
97.02975	0.2
97.71336	0.1
98.19855	0.2
101.02471	0.2
112.98609	0.2
116.92891	0.2
125.02474	0.2
127.90563	0.1
138.03352	0.1
163.11378	0.1
169.01477	0.2
194.48547	0.1
199.13518	0.1
209.11835	0.9
210.12236	0.4
211.13425	0.2
227.12968	0.3
397.13733	0.3
398.13977	0.1
401.38480	0.1
416.60468	0.1
457.85208	0.1
487.84772	0.1
836.39288	0.2
837.41248	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	836.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98830	100.0
63.99258	0.3
71.01380	1.5
78.95909	0.2
79.95739	0.5
80.86396	0.1
80.96545	0.3
83.05066	0.1
87.00874	0.2
89.02454	0.2
96.96025	1.2
101.02466	0.1
113.02469	0.2
115.46843	0.1
118.25082	0.1
125.02468	0.4
125.09824	0.2
151.95059	0.1
169.01476	0.2
171.10338	0.3
187.24210	0.1
197.11832	0.2
199.13367	0.2
201.11249	0.2
207.10245	0.3
209.11815	1.2
210.12184	0.4
211.13437	0.5
212.13718	0.2
225.11392	0.3
227.13026	0.4
229.03914	0.2
278.53674	0.1
320.25598	0.1
341.23303	0.1
380.40741	0.2
397.13715	0.3
398.13956	0.2
402.76263	0.1
759.51703	0.1
836.38934	0.6
837.40015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
61.98831	100.0
62.98516	0.4
62.99256	0.2
63.99265	0.9
71.01396	1.0
71.50054	0.3
77.78622	0.2
78.95904	1.2
79.95755	0.3
80.91695	0.3
80.96510	1.2
82.95430	0.7
89.02444	0.4
94.98080	0.2
96.96033	0.2
96.96976	0.2
97.02978	0.2
101.02450	0.2
125.02462	0.2
125.08232	0.2
141.93826	0.2
147.45168	0.1
152.99637	0.3
160.06177	0.3
161.00966	0.2
161.04558	0.2
161.08284	0.2
191.08202	0.1
195.13924	0.2
197.11958	0.3
204.72430	0.2
209.11836	1.7
210.12108	0.3
211.13467	0.7
225.00748	0.2
227.12923	0.3
241.14545	0.3
295.22876	0.8
329.23505	0.2
397.13535	0.3
641.34790	0.2
659.35999	0.7
660.35986	0.4
744.45056	0.5
762.46179	0.4
836.40210	0.8
837.41125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.5
61.98827	49.1
68.99532	1.5
69.03430	2.6
71.01380	17.3
71.45911	1.4
72.99303	1.5
73.02947	2.5
78.95898	5.5
80.96545	3.2
83.01354	2.3
83.05023	5.3
85.02932	3.9
87.00870	3.4
89.02428	11.3
89.09670	1.3
94.98075	2.1
95.01429	1.5
95.05008	2.7
96.96023	7.7
96.96947	1.8
97.02893	3.3
97.06593	11.8
98.19956	4.6
101.02436	14.1
109.06570	2.2
111.08161	19.9
113.02444	9.0
125.02427	3.3
125.09673	3.9
137.09697	1.8
145.05061	2.3
149.09691	1.9
149.68399	1.4
151.11258	9.5
153.09180	2.4
153.12823	2.6
155.10747	3.4
161.04578	6.6
163.11281	3.0
165.12860	13.2
167.10814	2.1
169.12309	10.8
171.10239	4.5
179.10713	4.2
181.12355	13.9
183.13864	3.5
191.10750	6.1
191.14354	2.8
195.13992	1.6
197.11824	80.0
198.12108	4.1
199.09764	7.3
199.13354	6.1
205.12163	1.4
207.10240	2.7
209.11823	41.2
210.12100	3.3
211.13361	19.5
216.64540	1.4
221.15408	1.4
225.11369	1.9
227.12872	17.0
228.13087	1.6
229.14270	1.6
233.33656	1.5
235.08241	10.1
239.09142	1.7
245.19142	11.3
253.09285	27.5
254.09694	1.8
255.23297	4.8
263.20142	22.4
264.20309	1.7
265.18094	3.4
271.17032	2.3
273.18744	1.9
277.21695	4.0
279.19684	2.3
289.18100	28.3
290.18295	2.6
291.19626	30.5
292.19958	3.9
307.19138	76.3
308.19516	10.8
309.20697	100.0
310.21106	11.3
397.13416	5.2
445.20715	15.4
446.21069	2.4
460.19363	2.2
525.27045	2.7
543.28113	13.2
544.28180	2.0
599.39301	1.8
683.31799	1.8
737.40863	5.2
835.44647	5.6
836.45374	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	835.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.9
59.01109	1.5
59.01379	19.1
61.98830	17.3
65.87029	0.8
68.51466	0.7
69.03439	3.4
69.45814	4.7
69.46221	2.0
71.01378	21.5
72.99282	1.7
73.02945	4.4
75.00892	0.8
78.95913	2.4
79.95728	2.7
80.02673	0.9
80.96510	4.4
81.03449	2.0
81.67702	0.8
83.01381	2.6
83.05009	3.7
85.02953	4.9
87.00864	3.4
89.02440	11.6
94.98071	1.8
95.01367	1.3
95.05011	2.8
96.96015	6.7
97.02964	2.5
97.06583	10.9
98.20587	1.9
99.00872	1.1
101.02448	13.1
109.06580	2.6
111.08158	21.5
112.08542	1.1
113.02450	6.6
119.03520	4.0
123.04518	1.6
125.02439	3.0
125.09702	3.7
127.07651	2.4
127.11316	1.3
130.00037	0.8
135.08080	1.4
137.09703	1.5
141.01959	1.3
143.03506	1.1
145.05064	1.8
149.09703	2.1
149.69788	0.9
151.11288	9.9
153.09174	2.5
153.12839	3.5
155.10789	4.5
161.04538	4.5
161.09680	1.1
163.11247	3.7
165.12852	16.4
166.13194	0.9
167.10753	2.8
169.12347	10.9
171.10284	5.1
172.38564	0.9
177.12836	1.8
179.05577	2.4
179.10789	4.8
181.08678	1.4
181.12349	11.3
182.12598	1.0
183.13873	3.8
191.10780	5.9
191.14384	3.3
193.12344	1.2
197.11823	84.5
198.12117	3.5
199.09732	11.8
199.13316	3.9
200.10030	0.9
201.11310	1.2
205.12271	2.4
207.10265	1.4
209.11812	38.5
210.12122	3.4
211.13371	15.5
212.13690	1.1
213.35353	1.0
221.06609	1.2
226.12000	1.0
227.12859	14.3
235.08221	8.4
245.19078	13.5
247.16991	1.5
253.09253	31.0
254.09639	1.2
255.23225	7.3
263.20135	27.5
264.20416	1.8
265.18005	2.3
271.17004	1.8
277.21701	1.2
279.19580	3.9
279.23236	1.8
289.18085	28.2
290.18375	3.9
291.19650	29.6
292.19916	3.0
293.21167	3.4
307.19128	83.6
308.19495	8.6
309.20697	100.0
310.21036	9.3
323.21738	1.0
397.13461	5.6
400.88339	0.9
415.14633	1.2
419.31766	1.1
431.19412	1.3
441.60428	1.0
445.20752	16.9
446.21124	2.0
460.19714	1.6
525.26880	3.7
527.28748	2.0
543.27991	15.3
544.28448	2.2
545.29846	2.1
597.23492	2.0
601.34174	1.0
731.36707	1.4
737.40973	4.3
738.42242	1.4
817.46271	1.3
835.47266	6.8
836.43317	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	835.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.2
59.01378	15.7
61.98827	41.1
67.01872	0.9
68.99555	0.7
69.03452	3.3
71.01380	14.2
71.05007	0.6
72.24769	0.5
72.99297	1.1
73.02944	3.5
78.95902	2.4
79.91621	0.5
80.02672	1.4
80.96494	1.1
81.03467	3.2
83.01389	3.7
83.05010	3.8
85.02961	4.0
87.00867	2.7
89.02438	9.8
89.02952	0.9
91.03991	1.1
93.03436	0.4
93.07111	0.5
95.01387	1.6
95.04993	2.4
96.95982	1.3
97.02949	3.0
97.06588	6.5
99.00864	0.9
101.02441	10.2
107.05006	0.9
107.08690	0.4
108.02187	0.5
109.02940	0.6
109.06582	3.0
111.04559	0.6
111.07390	1.2
111.08155	18.9
112.08498	0.6
113.02440	5.8
119.03504	1.9
119.04958	0.9
119.08675	1.4
121.06583	1.5
123.04529	3.5
123.08159	2.0
125.02446	1.6
125.06035	1.1
125.09712	7.5
127.07669	2.2
133.05081	0.6
135.08174	2.3
137.09711	4.8
139.11264	0.7
141.09248	0.7
141.12860	0.9
142.02684	0.5
143.03484	0.8
145.05099	1.2
147.08095	0.6
149.06061	1.0
149.09720	0.9
151.07712	0.6
151.11258	2.7
152.99585	0.5
153.09236	0.6
153.12830	3.2
155.10791	0.6
160.08920	0.6
161.04546	5.8
161.09703	1.1
163.07611	0.8
163.11293	10.0
163.40132	0.5
164.11700	0.8
165.09235	0.7
165.12802	3.4
166.99400	0.6
167.10786	2.1
169.12331	8.0
171.10231	2.6
172.55530	0.5
175.11266	0.9
177.12828	1.0
179.05606	1.6
179.10764	1.9
181.12312	4.3
183.13885	1.5
185.11855	7.7
189.12744	0.8
191.10760	2.2
191.14395	11.4
193.12343	1.5
195.13895	1.0
197.11823	92.0
198.12193	4.2
199.09712	1.6
199.13403	6.0
202.13480	0.6
202.74312	0.6
205.12384	0.5
206.73892	0.4
207.10220	5.7
209.11809	25.8
209.13795	1.2
210.12151	1.4
211.13377	14.8
212.13695	0.6
217.15881	1.2
221.11848	1.3
225.11345	4.1
226.12009	0.5
227.12889	4.7
227.97841	0.5
235.08286	5.9
237.11293	7.1
241.01234	0.8
243.17517	0.9
245.19087	19.5
246.19412	1.7
247.13293	0.5
247.17108	1.1
247.20546	0.8
253.09277	37.6
254.09584	1.2
255.23264	1.7
261.18625	1.2
263.20139	12.8
264.20438	1.2
265.18045	2.4
271.17075	3.0
273.18619	2.2
277.21661	1.5
281.21210	1.0
287.16629	1.2
289.18085	91.5
290.18433	10.0
291.19666	31.1
291.23022	1.1
292.20038	3.0
293.21289	2.6
305.17468	0.7
307.19138	91.6
308.19482	9.4
309.20697	100.0
310.21051	10.4
397.13446	1.2
445.20621	2.1
525.26886	1.9
543.27924	2.5
545.30029	0.7
599.39557	1.1
737.39825	0.6
757.38806	0.6
835.43140	2.9
836.45392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00599	1.1
59.01377	13.0
61.98829	37.7
63.35942	0.5
66.20807	0.6
67.01872	0.5
69.03452	2.4
71.01380	14.5
72.99300	1.6
73.02952	2.9
75.80640	0.5
76.68623	0.5
78.12467	0.6
78.95901	1.5
80.02679	1.1
81.03477	2.6
83.01390	3.3
83.05028	3.1
85.02943	4.5
87.00839	2.6
89.02430	8.0
93.03467	1.0
93.07111	0.7
95.01393	1.4
95.05027	2.4
96.96004	1.1
97.02941	3.7
97.06584	7.2
97.80821	0.5
98.75804	0.5
99.00874	0.9
101.02438	11.5
106.04213	0.9
107.05022	0.8
109.06575	2.8
110.03708	1.1
111.00863	1.1
111.04517	0.7
111.08162	17.6
112.08491	0.7
113.02454	7.0
113.40308	0.5
119.03508	2.4
119.08707	0.9
119.15009	0.6
121.02911	0.6
121.06604	1.9
123.04536	3.6
123.08118	2.5
125.02440	0.9
125.06093	0.8
125.09707	7.2
127.07650	1.3
133.05098	0.6
135.08168	2.0
137.06129	0.6
137.09714	4.6
141.01944	0.7
141.09183	0.8
141.12836	1.2
143.03549	0.8
145.05055	0.9
149.06073	1.2
149.09721	0.6
151.11310	2.4
153.09184	1.1
153.12843	2.0
154.11839	0.5
161.04523	4.5
163.07610	1.1
163.11270	9.4
164.08443	0.5
165.09239	0.6
165.12823	3.8
167.10712	0.8
169.12326	7.2
171.10240	4.0
175.11317	0.7
177.12828	1.2
179.05646	1.9
179.10760	2.2
181.12334	4.1
183.13914	1.0
185.11835	9.1
189.12805	0.9
191.05611	1.1
191.10785	1.8
191.14415	11.1
192.14659	0.8
193.01424	1.1
193.12314	1.3
197.11821	90.2
198.12173	5.5
199.09769	1.3
199.13412	4.7
203.14441	0.6
207.10313	5.5
209.11807	25.1
210.12143	1.3
211.13387	16.5
212.13690	0.9
217.15961	2.0
219.17670	0.6
225.11259	2.7
226.12054	0.8
227.12866	4.7
227.17958	0.6
235.08232	5.9
236.08458	0.6
237.11287	8.7
243.17482	0.7
245.19083	21.3
246.19456	2.4
247.16982	1.2
247.20633	0.7
249.14903	0.6
253.09268	38.0
254.09624	1.6
255.23358	0.8
261.18610	0.7
263.20129	11.5
264.20517	1.0
265.18051	1.9
271.17035	3.5
273.18600	1.8
277.21439	0.8
279.19778	0.6
281.21216	1.2
289.18076	100.0
290.18433	9.8
291.19653	35.6
291.23032	0.8
291.24585	0.7
292.20001	3.2
293.21231	1.0
307.19138	90.3
308.19492	9.2
309.20697	91.1
310.21048	8.5
325.20221	0.7
333.34119	0.6
397.13159	0.8
445.20917	1.4
525.26953	1.8
543.28052	3.0
545.29675	1.4
557.88879	0.6
591.30615	0.6
655.33203	0.8
832.07428	0.6
835.48859	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	835.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	1.7
59.01107	1.5
59.01379	18.0
61.98831	18.0
66.37086	0.9
67.01873	1.1
69.03445	3.4
70.34999	1.8
70.35397	2.8
71.01378	21.0
72.99316	1.5
73.02945	5.7
74.99470	0.8
78.95896	2.9
79.95721	2.7
80.96506	5.0
80.97469	0.8
81.03444	1.9
83.01363	2.0
83.05012	4.0
85.02960	4.7
87.00867	3.1
89.02444	10.0
93.07112	0.8
94.98090	2.5
95.01375	2.3
95.05019	3.0
96.96011	8.8
97.02940	3.1
97.06580	10.3
101.02449	11.5
109.06556	2.6
111.00903	1.7
111.08160	21.2
113.02459	8.4
114.88700	1.0
119.03467	3.6
123.00919	1.6
123.04482	1.1
123.08119	2.0
125.02415	2.7
125.09705	3.2
127.07610	1.4
137.09715	2.6
141.09283	1.1
143.03481	1.2
145.05109	2.1
149.09703	1.7
151.07672	1.1
151.10301	1.0
151.11302	12.3
153.09189	1.7
153.12784	2.6
155.10805	3.5
161.04552	5.5
163.11292	4.2
165.12837	13.5
167.10797	2.2
169.12335	9.7
170.12689	1.0
171.10254	4.7
177.12816	1.7
179.05597	3.4
179.10713	5.9
181.08722	1.1
181.12321	12.4
182.12718	1.4
183.13887	4.3
191.10805	5.3
191.14421	3.0
193.12271	2.0
196.02484	0.8
197.11823	85.7
198.12122	4.7
199.09760	11.1
199.13457	5.7
205.12289	1.4
209.11810	38.6
210.12221	1.9
211.13406	15.8
225.00748	1.2
225.11275	2.3
227.12839	16.0
235.08226	8.0
239.09146	1.0
244.31773	0.9
245.19075	12.3
246.19461	1.0
247.17020	1.3
247.20587	0.9
253.09285	30.2
254.09619	1.1
255.23291	8.7
261.18555	1.8
263.20142	28.8
264.20416	3.2
265.18011	1.9
271.16946	2.4
273.18552	1.2
277.21637	1.9
279.19617	3.2
289.18079	30.2
290.18430	4.1
291.19650	33.2
292.19885	2.2
293.21161	3.4
307.19141	78.5
308.19556	8.9
309.20694	100.0
310.21069	12.0
323.22058	1.7
397.13586	5.2
415.14847	1.1
431.19424	1.2
445.20828	13.3
446.21042	1.3
460.19617	1.9
504.98691	1.1
525.27106	2.9
543.28009	13.8
544.28522	2.0
545.29224	1.9
597.23547	1.9
702.71155	1.0
731.36682	2.2
737.41516	4.6
738.42188	1.5
752.39349	1.4
817.46716	1.4
835.46478	6.0
836.47791	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	835.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.1
61.98830	74.5
66.30849	0.5
69.03459	0.9
71.01378	8.0
71.05029	1.6
71.49568	0.5
71.49965	0.9
72.99307	0.5
73.02956	1.3
75.30941	0.5
78.91893	0.6
78.95916	2.0
79.95747	1.2
80.02653	0.7
80.91668	0.7
80.96515	2.3
81.03449	1.0
82.95402	3.9
83.01405	1.0
83.05021	0.9
85.02957	1.8
87.00877	1.4
89.02451	3.9
94.98074	0.5
95.01427	0.5
95.05025	1.1
96.96009	9.6
96.96980	1.1
97.02951	1.6
97.06630	0.7
99.00883	0.6
101.02445	4.9
106.04256	1.0
109.06596	7.7
111.04522	2.4
111.08162	8.7
113.02452	2.7
119.03500	0.9
121.06620	0.7
123.00880	0.7
123.08165	0.9
125.02446	1.1
125.09747	0.5
127.07664	2.2
135.08186	0.6
137.09726	1.4
143.03494	0.7
143.10825	0.7
143.55920	0.5
145.06580	1.6
149.09732	1.0
151.11320	1.1
152.93611	0.5
153.12881	0.8
161.04555	1.7
163.11279	1.3
164.11578	0.5
165.12933	0.5
167.10768	1.6
169.01469	1.2
169.12350	3.7
171.10280	2.6
177.12741	0.8
179.05589	0.8
179.10783	1.0
181.12305	1.4
183.13910	0.7
193.12297	0.6
195.13857	4.0
197.11833	39.7
198.12166	1.9
199.13431	3.2
201.11270	0.7
207.10187	1.2
209.11874	3.9
211.13379	7.3
212.13707	0.9
223.13361	1.0
224.82912	0.5
225.11334	1.0
227.12866	2.0
235.08232	3.4
235.13376	0.8
239.12973	0.8
245.19080	3.6
247.20595	0.6
253.09279	16.0
254.09645	0.9
263.20157	1.4
265.18085	0.8
271.16895	1.3
273.15045	0.5
273.18542	1.0
287.16617	2.2
289.18088	100.0
290.18436	11.1
291.19656	14.9
291.22946	0.5
292.19983	1.8
293.21240	2.6
300.01419	0.5
307.19031	5.4
308.19354	1.0
309.20703	44.6
310.21030	5.3
397.13452	1.3
415.14453	0.8
433.21118	0.6
491.99969	0.5
525.26929	3.6
545.29749	0.8
665.28998	0.7
733.54163	0.5
835.38782	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	835.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	0.3
58.27787	0.2
59.01381	10.4
66.70395	0.2
69.03440	0.4
71.01385	7.9
71.04989	0.4
72.99306	0.4
73.02938	1.1
75.00860	0.3
80.02661	1.5
81.03465	2.0
83.01389	0.8
83.05025	4.9
84.02157	0.9
85.02945	1.5
87.00890	1.8
89.02448	6.6
93.03446	0.5
95.01373	0.6
95.05010	0.9
96.95993	0.3
97.02948	1.3
99.00884	0.4
101.02441	6.1
104.70592	0.2
109.06612	0.2
111.04494	0.3
113.02453	3.1
115.04008	0.2
119.03494	1.9
121.71359	0.2
123.32774	0.2
125.02456	2.9
125.06094	0.7
125.09705	0.4
131.03496	0.5
135.08151	0.6
136.12106	0.2
139.03996	0.3
139.28065	0.2
143.03551	1.3
149.04568	0.2
161.04561	1.3
163.11311	3.9
165.12849	2.8
167.03494	0.3
171.10242	0.8
179.05594	2.1
181.12346	0.6
191.10750	1.2
199.13403	0.7
209.11832	100.0
210.12157	6.8
217.07091	0.4
221.06660	0.7
221.11775	0.3
227.12886	15.1
228.13222	1.1
235.08249	2.2
247.13390	0.9
251.12901	0.5
253.09349	0.3
263.07819	0.3
287.07706	0.7
305.08801	0.7
313.04932	0.2
323.09821	0.6
344.24689	0.2
379.12393	2.2
380.12421	0.2
381.98581	0.2
397.13507	18.5
398.13840	1.8
414.04880	0.3
415.14551	5.0
416.14737	0.7
419.24237	0.3
515.43579	0.3
589.25354	0.3
607.26215	1.0
761.89844	0.2
799.37402	0.8
817.38257	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.5
59.01378	10.6
69.03429	0.6
71.01381	7.8
71.04978	0.4
72.99317	0.6
73.02937	1.2
80.02677	1.5
81.03459	1.8
83.01363	1.4
83.05024	6.2
84.02150	0.8
85.02948	1.8
87.00870	2.2
89.02448	8.6
95.01404	0.8
95.05019	0.6
96.96023	0.4
97.02954	1.4
99.00884	0.3
101.02448	6.4
102.79997	0.3
109.06630	0.3
113.01722	0.4
113.02457	3.9
119.03496	2.1
125.02417	3.3
125.06080	0.5
125.09722	0.4
126.02853	0.3
127.52967	0.2
131.03471	0.5
135.08154	0.8
141.01920	0.3
143.03476	1.0
147.11913	0.3
149.09789	0.4
161.04526	1.9
163.10030	0.5
163.11281	4.4
165.12830	2.8
171.10252	0.7
179.05588	1.7
181.12299	0.5
191.10852	0.7
199.13408	0.4
209.11818	100.0
210.10098	0.4
210.12146	7.2
221.06606	0.8
221.11826	0.4
227.12885	15.4
228.13216	1.1
229.48596	0.3
235.08295	2.4
247.13422	0.9
251.12741	0.4
287.07687	0.9
305.08752	0.9
323.09760	0.4
379.12503	2.2
380.13034	0.3
397.13516	19.1
398.13840	2.3
415.14493	5.6
416.14938	0.5
538.73755	0.3
607.26086	0.8
799.37750	0.7
835.38721	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08859	0.1
59.01381	0.3
61.98829	100.0
62.98526	0.1
67.56470	0.1
70.34813	0.1
70.35173	0.4
71.01382	0.8
72.99296	0.1
78.95911	0.4
80.96521	0.3
89.02438	0.1
90.86237	0.1
94.98093	0.1
96.96016	0.3
109.06632	0.1
111.08183	0.2
117.07161	0.1
119.08653	0.1
125.02469	0.1
125.09676	0.1
164.98515	0.1
171.10291	0.4
193.10654	0.1
193.12396	0.2
197.11852	0.3
201.11256	0.1
207.10303	0.2
209.11868	0.4
210.12354	0.1
211.13451	0.6
225.11392	0.3
225.15077	0.1
227.12842	0.2
253.09203	0.2
289.18008	0.5
291.19684	0.3
293.21310	0.1
307.19254	0.2
309.20569	0.6
311.22348	0.3
341.74326	0.1
343.24979	0.3
381.67502	0.1
397.13660	0.1
438.08023	0.1
453.53894	0.1
815.85797	0.1
816.47021	0.2
817.47284	0.2
834.51794	0.7
835.39832	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	0.2
61.98833	100.0
71.01377	0.3
71.50589	0.2
72.85812	0.1
75.00879	0.2
78.91901	0.6
78.95898	0.2
79.95709	0.2
80.96521	0.7
83.72301	0.1
94.42191	0.2
96.96024	0.4
101.02441	0.3
125.09766	0.3
155.10811	0.2
155.26192	0.2
159.20724	0.1
171.10332	0.3
199.09727	0.3
209.11845	0.3
225.00818	0.1
253.09386	0.3
277.21851	0.4
289.18002	0.2
291.19885	0.2
293.21149	1.2
301.12039	0.2
323.18738	0.4
323.86591	0.2
388.02509	0.2
731.37592	0.4
835.43250	0.5
868.50415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.2
61.98830	100.0
62.99249	0.1
66.71081	0.1
68.99532	0.1
71.01404	0.2
73.95879	0.1
78.18791	0.1
78.95929	0.1
80.96542	0.1
83.83118	0.1
101.02469	0.2
113.02436	0.2
116.92835	0.2
158.79865	0.1
171.10338	0.3
197.11894	0.2
199.09888	0.4
214.25246	0.1
255.23250	0.3
277.21835	0.2
281.24847	0.2
397.13696	0.3
550.33173	0.1
593.00055	0.2
756.03247	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01722	0.8
66.67231	0.2
68.50863	0.2
69.36335	1.5
71.01384	11.8
72.99310	0.5
73.02950	3.2
83.01381	1.5
85.02949	5.2
86.00105	0.2
87.00871	0.4
89.02444	4.0
95.01408	1.1
97.02959	0.3
99.00894	1.1
99.04575	0.2
101.02441	8.1
102.02785	0.4
102.47803	0.3
107.54520	0.2
110.93519	0.2
111.00890	0.3
113.02456	5.4
113.03263	0.3
119.03507	1.3
125.02438	0.7
143.03516	0.7
159.02977	0.8
161.04558	5.5
183.02985	0.9
285.04059	0.5
313.16501	2.1
331.17624	13.4
332.17892	1.1
373.18665	30.6
374.18979	3.0
417.17172	0.2
538.22168	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.449
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44474	0.1
59.01375	0.2
61.98832	100.0
62.98520	0.1
63.99255	0.2
69.15277	0.2
69.15685	0.9
71.01398	0.3
75.53091	0.1
78.78146	0.1
78.91899	0.2
78.95911	0.2
79.95753	0.2
80.91730	0.1
80.96526	0.3
87.37703	0.1
87.71325	0.1
101.02429	0.1
114.11611	0.1
164.52805	0.1
171.10297	0.2
197.11861	0.2
207.10233	0.2
209.11894	0.4
211.13411	0.2
225.00716	0.1
225.11488	0.2
225.28723	0.1
267.67740	0.1
289.18182	0.2
293.21320	0.1
397.13837	0.1
504.09988	0.1
680.06000	0.1
686.57574	0.1
775.14636	0.1
834.51611	0.2
835.41589	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.2
61.98831	100.0
62.05944	0.1
62.16243	0.1
62.98535	0.3
63.99253	0.3
69.98945	0.2
69.99338	0.2
71.01384	0.5
78.95920	0.4
80.96532	0.2
84.88490	0.1
89.02420	0.1
96.11469	0.1
96.96017	0.2
101.02449	0.1
125.02479	0.1
157.17886	0.1
171.10225	0.2
176.19090	0.1
185.37395	0.1
197.11829	0.3
207.10374	0.2
209.11935	0.3
211.13342	0.5
225.11424	0.2
225.15056	0.1
227.13037	0.1
289.18323	0.2
293.21481	0.1
309.20584	0.1
311.22372	0.2
343.24905	0.3
351.58292	0.1
382.73804	0.1
386.34955	0.1
397.13846	0.1
834.51263	0.6
835.52942	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	834.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
61.98834	100.0
69.64431	1.0
71.01382	0.9
71.05026	0.2
75.76498	0.1
78.95920	0.5
80.96523	0.2
85.02971	0.2
86.80573	0.1
88.98822	0.2
89.02467	0.3
89.31618	0.1
92.79150	0.2
94.98089	0.1
95.05061	0.2
97.02927	0.2
97.06603	0.4
98.19927	0.1
101.02444	0.5
109.06611	0.2
111.08181	0.5
119.03533	0.2
123.04550	0.2
123.08275	0.2
125.09730	0.6
131.75594	0.2
137.09778	0.3
138.05923	0.1
143.03554	0.2
150.97719	0.2
152.99599	0.2
161.04568	0.2
163.11292	0.6
165.12859	0.2
169.12375	0.4
171.10252	0.4
181.12349	0.2
185.11841	0.6
191.14444	0.4
197.11829	3.4
197.13548	0.2
199.13487	0.2
207.10294	0.3
209.11830	1.2
211.13437	1.5
215.33891	0.2
225.11496	0.3
227.13020	0.2
235.08238	0.4
237.11247	0.2
243.17612	0.2
245.19200	0.9
253.09285	1.8
263.20255	0.4
287.16641	0.3
288.16901	0.2
289.18082	5.1
291.19623	2.3
293.21344	0.6
305.17615	0.4
306.17990	0.2
307.19196	5.6
309.20712	5.0
327.13843	0.2
343.25223	0.3
397.13657	0.2
543.28479	0.3
698.64197	0.2
835.48505	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.2
59.90591	0.1
61.98830	100.0
62.98542	0.2
64.21989	0.1
66.13084	0.1
70.97907	0.3
71.24041	0.1
71.97031	0.1
86.85479	0.1
96.04312	0.1
101.02471	0.1
101.15701	0.1
102.59886	0.1
119.03606	0.1
207.10294	0.1
209.11932	0.3
211.13469	0.2
225.11247	0.1
278.55804	0.1
326.47571	0.1
457.93369	0.1
470.91861	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	834.414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
61.98831	100.0
62.98543	0.2
64.90379	0.1
70.50074	0.4
71.01382	2.1
73.02957	0.2
80.96529	0.3
81.03466	0.1
83.05013	0.2
85.02935	0.2
86.56773	0.1
87.00891	0.3
89.02440	0.6
94.98096	0.1
95.01405	0.1
96.49841	0.1
96.96043	0.2
97.02941	0.2
98.19985	0.1
101.02436	0.9
109.06606	0.2
113.02467	0.4
113.91787	0.1
116.92908	0.1
119.03514	0.2
121.80501	0.1
122.97275	0.1
124.29207	0.1
125.02469	0.5
125.09718	0.1
130.08757	0.4
141.05714	0.1
143.03510	0.1
156.74991	0.1
157.51344	0.1
161.04601	0.1
163.11296	0.4
169.01402	0.1
169.12344	0.1
171.10240	0.6
179.05609	0.2
181.12419	0.1
185.11786	0.2
190.69495	0.1
197.11865	0.4
199.13394	0.7
201.11282	0.3
207.10252	0.8
208.10742	0.1
209.11832	3.0
210.12192	0.2
211.13434	1.3
221.06598	0.1
225.11356	0.7
226.11609	0.1
227.12900	1.3
229.63705	0.1
235.08241	0.2
253.09393	0.2
322.20276	0.3
344.30640	0.1
397.13669	1.3
398.14102	0.2
415.14755	0.4
419.23926	0.2
458.69290	0.1
518.33978	0.1
799.38239	0.4
817.38440	0.3
834.38287	0.3
835.39209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.4
60.99365	0.4
61.98826	2.0
63.28115	0.4
65.79575	0.4
69.01274	0.4
69.06810	0.4
70.56180	1.3
71.01373	1.8
78.23678	0.5
78.95899	1.4
79.95702	0.4
80.96510	1.8
82.76797	0.4
82.78158	0.4
85.02969	0.4
89.02425	1.1
94.98126	0.5
101.02435	1.4
102.98035	0.4
137.85788	0.4
157.96860	0.4
161.04510	0.5
196.89507	0.5
225.00815	0.5
235.08183	1.4
253.09225	4.1
255.23138	0.5
277.21701	100.0
278.22043	9.0
279.23126	0.6
501.25562	0.4
513.30212	0.6
783.73840	0.5
833.51141	3.0
834.51410	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.1
61.98832	100.0
63.99022	0.1
67.61587	0.1
71.01408	0.2
71.24380	0.1
79.04641	0.1
98.19849	0.2
101.02434	0.1
112.73740	0.1
129.71724	0.1
169.20578	0.1
207.10347	0.2
208.10638	0.1
209.11864	0.4
210.10271	0.1
210.12317	0.1
225.11443	0.2
247.47226	0.1
365.99588	0.1
860.46582	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	833.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.1
59.01377	29.7
61.98829	2.4
65.03966	1.7
65.43800	0.6
67.01932	0.7
69.03450	1.4
70.81627	1.7
70.81998	1.0
71.01383	21.0
71.01776	1.3
72.99315	1.9
73.02930	3.9
79.35197	0.7
80.02670	2.4
81.03452	6.7
83.01386	3.3
83.05028	11.7
84.02173	2.0
85.02952	4.7
87.00870	4.9
89.02442	16.9
93.03461	2.4
95.01398	1.9
95.05018	2.3
95.72858	0.8
96.95973	1.3
97.02955	11.4
97.06565	2.1
99.00887	3.1
101.02438	14.0
107.05019	1.9
109.02952	0.9
109.06584	24.6
110.03725	2.3
110.06860	1.0
111.00927	1.1
111.04527	2.1
113.02451	7.0
119.03521	4.3
119.04858	0.7
121.06608	2.0
123.04530	1.0
123.08099	1.0
125.02451	6.9
125.09710	2.6
126.90428	2.1
128.03488	0.9
135.08179	5.3
136.05397	1.4
141.01950	1.1
142.02713	2.7
143.03481	1.8
145.04851	0.8
145.10318	0.8
161.04552	3.4
161.09657	1.7
163.11276	21.7
164.11636	1.0
165.12833	3.3
169.01404	1.7
171.10274	3.0
175.02419	1.0
179.05617	4.5
181.12320	5.8
185.11842	2.1
187.09755	1.0
189.09201	0.8
191.10774	1.5
199.13301	0.7
201.11240	1.1
207.10251	70.6
208.10596	6.0
209.11815	100.0
210.12112	5.3
211.13409	1.5
217.12292	1.0
221.06657	2.9
223.09744	1.1
223.13316	1.2
225.11307	38.9
226.11633	2.8
227.12880	11.8
231.10150	0.8
235.08208	4.2
235.13362	1.4
243.12456	2.1
245.11755	1.0
247.13425	1.0
249.11189	1.9
253.09338	1.2
263.12811	1.4
265.23416	0.8
299.14938	1.6
305.08835	1.7
323.09595	0.9
379.12521	2.2
397.13504	28.4
398.13800	2.4
399.21570	4.4
407.24048	0.8
415.14621	8.0
416.14685	1.0
417.22845	5.8
435.23755	1.5
444.46869	0.9
605.24512	4.6
606.24878	1.1
623.25671	7.7
725.48370	0.8
797.36249	9.5
798.36420	3.1
815.37061	18.2
816.37616	4.7
833.38141	30.9
834.38824	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
59.76930	0.3
67.59587	0.3
70.99012	0.8
73.15819	0.3
79.47000	0.3
95.01397	0.7
98.18813	0.4
98.19861	0.3
105.03481	0.6
109.02945	0.6
119.05027	0.6
123.00909	0.9
125.02509	0.5
131.05023	0.6
133.02948	0.9
137.02425	3.4
144.19084	0.4
145.02951	1.5
146.84796	0.4
147.04507	1.8
149.02348	0.4
149.06081	0.6
157.02895	0.6
159.04544	1.9
161.02467	0.5
163.00345	0.9
163.03981	0.9
163.05330	0.4
165.01848	0.8
169.01431	0.4
173.02422	1.5
174.53209	0.3
175.03987	3.3
177.01933	1.1
177.05531	1.0
179.00011	0.3
185.02431	3.3
187.03992	0.5
189.01915	0.9
190.02649	0.7
190.99789	0.9
191.03528	1.7
193.01410	3.5
193.05009	0.8
201.01910	2.4
203.03497	7.5
205.01424	1.0
205.05083	1.2
206.99236	0.4
207.03020	0.4
208.00166	0.5
209.00853	0.4
213.02013	0.6
217.01407	0.7
218.99411	0.6
219.02951	1.0
221.04539	0.8
229.01392	5.1
230.01752	0.5
231.02971	3.1
235.02405	0.4
237.00365	3.7
245.00795	2.3
247.02483	4.8
248.02785	0.5
249.04027	2.8
251.01747	0.5
257.00885	3.4
258.01587	1.2
265.03607	0.5
266.25012	0.4
273.00507	0.6
274.01340	0.4
275.01947	11.2
276.02295	1.2
279.01468	1.9
283.99588	2.5
291.01465	0.6
293.02957	1.4
299.99191	2.3
300.99872	100.0
302.00217	8.1
303.00363	0.5
319.00845	1.0
339.03531	0.7
399.05704	3.4
463.04544	0.4
481.06149	2.7
499.06580	0.7
564.89014	0.3
626.52942	0.4
701.06561	0.8
733.08472	0.5
783.06635	0.4
801.07971	2.1
805.11188	0.9
815.09143	1.0
833.10358	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.1
59.57774	0.3
61.98833	100.0
69.03455	0.8
69.14177	0.3
69.95821	0.7
69.96220	0.9
70.82234	0.3
71.01385	6.7
72.99315	0.8
73.02948	1.1
75.00873	2.1
78.95923	1.6
79.50965	0.3
79.95749	0.6
80.02705	0.7
80.96516	1.2
81.03460	1.4
83.01405	1.1
83.05032	2.8
84.02203	0.4
85.02962	1.4
87.00875	1.9
87.36469	0.3
89.02448	4.8
93.03492	0.6
94.98091	0.4
95.01411	0.6
95.05054	0.5
96.96019	0.8
97.02969	3.4
97.06616	0.6
99.00882	0.7
101.02446	5.1
107.05070	0.5
109.06592	6.7
111.08189	0.5
111.44406	0.5
113.02457	1.6
119.03523	1.3
121.06607	0.6
123.08103	0.4
125.02466	1.9
125.09724	1.0
127.11259	0.4
135.08168	1.2
136.05295	0.7
142.02721	0.8
143.03558	0.6
152.99620	0.5
161.04506	0.9
161.09732	0.8
163.11301	5.6
165.12862	0.7
169.12349	0.7
171.10234	2.7
172.02562	0.3
175.47978	0.4
179.05626	1.5
181.12346	1.6
185.11903	0.7
189.09187	0.5
197.11766	2.3
199.13408	0.6
201.11299	1.5
207.10263	19.7
208.10635	1.7
209.11830	30.0
210.12146	2.0
211.13335	1.0
221.06624	0.5
223.13399	0.5
225.11320	11.7
226.11682	0.9
227.12947	3.7
235.08174	1.4
235.13293	0.5
249.11325	0.6
253.09200	1.0
255.23080	0.5
287.07690	0.4
291.19455	0.5
309.20749	1.4
341.23007	0.4
379.12518	1.0
397.13531	7.3
398.13730	0.9
399.21945	0.7
415.14606	2.2
416.14560	0.6
417.22726	1.3
605.24731	1.9
623.25671	2.0
624.25580	0.4
651.83789	0.4
797.35883	3.4
798.36780	0.5
815.37030	4.5
816.36908	1.5
833.38000	11.5
833.51318	0.6
834.38257	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	832.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.0
61.98830	100.0
62.37157	0.1
62.98542	0.2
65.89402	0.1
69.75547	0.6
71.01385	0.8
73.02940	0.1
75.00879	0.5
78.90294	0.1
78.95904	0.8
79.95761	0.2
80.96513	0.3
81.03439	0.2
83.01395	0.2
83.05065	0.3
85.02951	0.2
87.00862	0.2
88.98809	0.1
89.02466	0.4
95.60015	0.1
96.96037	0.3
96.96959	0.2
97.02963	0.3
101.02464	0.4
109.06595	0.4
113.02466	0.2
116.92843	0.2
119.03563	0.1
125.02477	0.3
125.09731	0.2
152.99660	0.1
163.11302	0.5
171.10245	0.3
179.05544	0.1
181.12228	0.1
197.11920	0.2
207.10269	1.6
209.11813	2.2
225.11359	1.2
227.12955	0.5
241.01216	0.1
244.54564	0.1
252.11029	0.1
255.23315	0.3
397.13455	0.8
412.26990	0.1
415.14795	0.2
605.97668	0.1
797.36053	0.2
815.37079	0.3
832.37268	0.2
832.50861	0.2
833.37939	1.1
833.51819	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.4
59.45452	0.1
61.98832	100.0
62.98536	0.2
63.99266	0.3
71.01393	0.4
71.50012	0.1
75.00871	0.2
78.91878	0.1
78.95909	0.6
80.96485	0.1
88.98822	0.3
89.02444	0.2
101.02431	0.1
109.39900	0.1
111.58825	0.1
123.01009	0.1
125.09723	0.2
135.08130	0.1
140.33109	0.1
152.99596	0.1
163.11176	0.1
169.01488	0.3
171.10226	0.6
197.11882	0.3
205.99657	0.1
207.10323	0.2
209.11908	0.5
211.13434	0.7
212.13762	0.4
213.14204	0.2
225.11328	0.2
228.46249	0.1
242.30896	0.1
253.09457	0.2
287.16647	0.5
289.18265	0.5
291.19809	0.3
293.21326	0.2
305.17679	0.3
307.19272	0.5
309.20868	0.4
343.24991	0.2
488.62381	0.1
539.51221	0.1
542.02747	0.1
832.50836	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98529	0.3
70.24431	0.4
71.01383	0.2
72.99335	0.2
78.95937	0.2
86.96777	0.1
101.02467	0.1
125.02493	0.2
130.23553	0.1
130.67963	0.1
169.01460	0.3
171.10246	0.1
182.38371	0.1
197.11945	0.2
207.10316	0.2
209.11885	0.2
311.22562	0.1
469.05341	0.1
579.19904	0.1
608.91766	0.1
832.50195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.9
61.98829	100.0
62.98538	0.2
63.99235	0.1
69.03444	0.1
71.01379	0.9
71.50764	0.1
72.99324	0.1
78.95912	0.2
80.96517	0.1
81.03452	0.1
83.01405	0.1
83.05025	0.2
85.02964	0.2
87.00875	0.2
87.65876	0.1
89.02421	0.5
89.88160	0.1
96.35203	0.1
96.96009	0.8
97.02985	0.2
101.02436	0.5
109.06583	0.4
109.40567	0.1
113.02462	0.2
115.00412	0.2
119.03473	0.1
125.02459	0.3
163.11346	0.3
164.80579	0.1
169.01479	0.3
169.12254	0.1
169.71655	0.1
171.10307	0.2
175.02516	0.3
183.13866	0.2
195.13945	0.1
197.11813	0.3
199.13373	0.1
205.12447	0.1
207.10207	0.8
209.11803	2.1
210.12233	0.6
211.13449	0.4
223.13368	0.7
224.13757	0.3
225.00731	0.1
225.11308	0.6
227.12857	0.6
228.13177	0.2
253.09380	0.1
284.68497	0.1
302.00348	0.1
397.13602	0.7
398.13840	0.2
415.14395	0.2
786.50238	0.1
814.36749	0.1
815.37158	0.3
832.37708	0.1
833.36658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.4
59.87864	0.7
63.96221	0.9
70.54008	0.8
70.54340	1.3
71.01370	1.8
78.95906	84.7
78.98579	1.4
79.95736	4.3
80.96519	13.6
85.38030	0.7
88.37837	0.7
94.98091	4.2
96.96383	1.5
96.96960	18.2
97.02904	0.9
122.97546	1.2
134.98546	1.0
152.99593	22.4
164.98590	1.8
178.10841	0.7
212.08704	0.7
223.00104	7.8
225.00694	2.5
241.01190	34.4
242.01318	1.8
255.23280	58.9
256.23581	6.3
259.02209	2.4
277.21725	32.7
278.22070	3.8
297.03693	2.1
315.04926	1.3
368.96823	0.7
391.22519	10.4
392.22775	0.9
409.23526	1.1
413.20834	1.2
553.27722	6.7
732.04779	0.9
749.51965	2.1
763.80182	0.8
831.50110	100.0
832.50415	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	831.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.7
60.99318	2.8
61.98831	100.0
66.89233	0.7
69.03432	0.9
71.01389	5.0
71.50325	1.0
72.99313	3.3
75.00890	0.8
78.95891	3.7
79.95756	1.5
80.96527	1.9
81.37209	0.7
83.05032	0.9
88.98804	12.2
89.02449	2.5
95.01398	0.8
96.96962	0.8
101.02457	2.8
109.06600	0.9
111.00941	0.8
111.08167	2.5
113.02451	2.0
119.03481	1.0
125.02450	2.5
125.09713	0.7
136.05688	0.7
160.06792	0.7
161.04625	1.0
161.09743	1.0
163.11284	1.1
169.01437	2.0
169.12524	0.8
170.41753	0.8
171.10339	3.6
172.10687	2.0
179.05644	0.9
182.34230	0.8
183.13971	3.2
197.11830	12.6
198.12347	0.9
199.13339	0.7
207.10262	3.2
209.11797	4.1
211.13388	48.0
212.13812	3.2
223.09808	1.5
225.11378	1.3
235.08261	3.0
241.01230	0.8
253.09261	6.8
255.23325	1.0
263.48257	0.8
277.21866	2.7
278.22290	0.8
291.19604	6.3
309.20688	18.0
310.21164	1.9
347.96378	0.9
397.13531	1.5
447.22214	4.3
545.29547	1.0
550.91547	0.8
813.35614	1.2
831.37360	2.9
831.50629	2.7
832.51257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
63.96228	2.4
67.03228	0.7
71.01376	9.4
71.12310	1.1
71.12663	1.0
73.02952	2.2
78.95918	1.7
78.98590	8.1
79.95734	40.5
80.96515	100.0
81.03462	1.6
83.47153	0.6
85.02971	4.0
87.00874	2.8
87.53332	0.7
91.74834	0.7
94.98086	20.9
95.57203	0.7
96.96009	2.3
97.02971	1.8
101.02448	2.5
106.98074	4.2
108.33131	0.7
122.97585	7.0
125.02447	4.1
126.35352	0.7
127.03984	0.9
134.97598	7.2
136.99139	2.7
148.99136	7.9
152.98630	9.0
155.45901	0.7
161.04593	0.9
164.98634	15.4
167.00325	0.7
179.00192	0.7
206.99693	3.9
225.00742	25.0
226.01019	1.0
241.00226	1.1
255.23198	3.7
283.04938	3.3
305.11383	0.7
341.05496	1.5
353.88290	0.7
355.07080	1.6
537.27448	2.0
553.26526	0.8
575.25543	1.8
609.30035	1.5
623.31006	1.4
693.39008	1.3
733.42053	0.8
831.49329	96.8
832.49573	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.1
60.50110	0.3
61.98829	100.0
62.29464	0.2
63.99223	0.2
66.75310	0.3
69.27930	0.2
71.01363	1.5
75.00886	0.8
78.91900	0.9
78.95912	1.2
79.85038	0.3
83.05031	0.6
85.02964	0.7
87.00900	0.6
88.98811	0.6
89.02440	1.3
96.96992	0.3
97.02962	0.8
101.02467	1.4
104.38860	0.3
109.06612	0.5
111.08151	1.8
113.02477	1.1
119.03532	0.4
125.02432	0.8
125.09745	0.4
128.59895	0.3
137.09834	0.4
152.99641	0.4
159.94299	0.3
161.09781	0.4
163.11353	0.4
165.12796	0.4
169.01448	0.6
169.12370	0.5
171.10281	1.1
179.10893	0.3
181.12256	0.3
183.13914	2.1
193.12383	0.8
197.11826	9.2
198.12169	0.3
199.13409	0.5
207.10295	1.5
209.11794	2.4
211.13385	35.0
212.13719	2.3
223.09760	0.4
223.13268	0.3
225.11388	1.1
227.12854	0.8
235.08200	2.0
244.42490	0.3
253.09247	4.6
253.11787	0.3
277.21735	0.4
289.18024	0.5
291.19641	5.0
292.19968	0.6
297.30585	0.3
305.17645	0.4
309.20691	13.5
310.20987	1.3
326.37372	0.3
343.44818	0.3
397.13528	0.4
447.22278	2.1
448.22849	0.5
503.34293	0.6
527.28430	0.5
545.29858	1.0
813.36456	0.5
831.37830	1.1
831.51788	0.5
832.37787	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
61.98829	100.0
62.98531	0.2
67.07804	0.1
71.01387	0.4
73.02950	0.1
75.00873	0.3
78.95917	0.3
88.98826	0.3
89.02417	0.2
101.02480	0.3
109.06613	0.1
119.03572	0.1
123.00839	0.1
125.02470	0.4
132.04095	0.1
145.76666	0.1
147.15672	0.1
152.99619	0.1
162.68005	0.1
169.01468	0.5
171.10272	1.0
172.10681	0.2
209.11804	0.8
211.13411	0.6
212.13654	0.1
235.08385	0.2
253.09352	0.2
255.23265	0.1
273.00461	0.1
277.21667	0.5
278.21960	0.3
289.18301	0.2
290.18469	0.1
293.21399	0.3
397.13651	0.2
398.14014	0.2
406.00824	0.1
831.50464	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.2
61.98828	100.0
62.98527	0.2
71.49581	0.3
75.00896	0.2
77.56545	0.2
78.95902	0.6
88.28707	0.2
88.98795	0.3
94.18449	0.2
94.98075	0.2
103.93834	0.2
111.66191	0.2
117.70256	0.2
152.99579	0.3
243.12965	0.2
255.23427	0.4
277.21759	0.5
296.41800	0.2
329.32019	0.2
388.52274	0.2
390.83899	0.2
730.90704	0.2
831.50262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00579	1.1
59.01382	18.5
61.98828	11.6
69.03450	2.3
71.01382	15.4
71.05007	0.5
71.85091	0.4
72.99300	1.8
73.02921	1.8
80.02661	1.5
81.03467	2.1
83.01359	2.0
83.05021	5.9
84.02181	1.1
85.02947	3.9
87.00874	4.2
89.02446	15.7
95.01379	1.1
95.05006	1.5
96.95985	1.0
97.02936	3.4
99.00880	0.9
101.01815	0.6
101.02450	11.9
101.03099	1.0
107.05003	0.5
109.06583	0.9
111.04432	0.6
113.02454	6.7
115.03993	0.5
115.33997	0.4
119.03525	3.5
121.11477	0.4
125.02468	5.1
125.06097	0.5
125.09703	1.2
131.03462	0.7
135.08127	0.8
139.03920	0.5
141.01866	0.6
143.03517	2.3
161.04567	2.5
161.09630	0.4
163.11287	4.7
165.12822	2.7
167.10759	2.0
171.10281	1.0
177.12843	0.5
179.05617	4.2
179.10776	1.1
179.14357	3.0
181.12340	0.6
191.10744	1.1
193.76949	0.5
195.13893	6.5
197.11838	0.5
199.06079	0.6
205.12337	6.6
206.12717	0.6
207.10277	1.0
209.11816	100.0
210.12167	5.2
211.13274	0.6
217.07224	0.6
221.06619	1.9
223.13390	62.4
224.13725	4.3
225.11349	1.5
227.12875	15.2
228.13168	0.9
235.08208	4.4
253.09351	1.2
261.14981	0.9
265.14392	0.5
287.07709	1.4
305.08765	1.4
323.09702	0.9
333.76721	0.4
379.12491	4.6
397.13501	37.0
398.13806	3.0
415.14590	9.6
416.14838	0.7
453.06995	0.5
492.85925	0.6
589.25061	1.1
603.26709	2.4
607.26215	1.3
621.27692	5.5
622.28210	0.8
795.38483	0.6
813.38593	1.2
831.37622	0.6
848.21033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	18.2
61.98830	76.1
67.57939	0.6
67.58322	0.6
69.03426	0.7
71.01384	6.3
71.50589	0.9
72.99282	1.2
73.02950	1.2
75.00889	1.3
78.95897	1.8
80.02698	0.8
81.03448	1.1
83.01382	1.7
83.05016	0.7
85.02946	1.1
87.00866	1.8
88.98779	0.8
89.02441	3.3
95.05006	0.6
97.02972	1.4
97.06587	1.5
101.02457	4.7
109.06533	0.7
110.78326	0.6
113.02427	2.5
119.03544	0.8
123.04561	0.9
125.02437	2.6
125.09720	2.0
137.09744	1.4
141.12886	0.7
161.04553	1.8
163.11305	3.5
165.12885	1.1
167.14354	1.2
169.01442	1.5
171.10275	10.8
179.05513	0.7
181.12340	0.8
183.13911	7.3
185.11797	3.1
191.14426	2.8
193.12328	2.7
201.43942	0.6
207.10211	2.1
207.45956	0.6
209.11806	8.2
210.12025	0.6
211.13385	100.0
212.13710	6.4
225.11342	1.7
235.08220	3.5
237.11311	1.0
245.19142	5.7
253.09291	8.6
263.20224	1.7
271.17111	1.0
277.21732	5.7
278.22107	1.0
289.18100	28.2
290.18503	3.1
307.19141	26.7
308.19464	2.0
379.12399	1.1
397.13388	3.3
415.14481	0.9
419.02820	0.6
444.25943	0.7
447.22369	5.0
483.30783	1.0
501.32037	1.3
525.26978	1.6
621.32727	3.4
622.32916	0.7
701.39044	1.2
714.79547	0.7
719.40723	1.0
737.41168	1.2
760.11047	0.8
829.42566	0.7
830.46960	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.7
59.01379	18.2
60.01726	0.4
60.99300	1.1
61.98827	1.9
68.15467	0.2
68.99813	0.5
69.03449	1.0
69.84380	0.3
71.01381	17.2
72.01739	0.3
72.99314	1.6
73.02937	3.1
75.00882	0.8
76.30255	0.3
78.95888	0.3
81.03467	1.1
82.21221	0.3
83.01402	1.8
83.05042	0.4
85.02947	4.7
87.00878	5.8
87.04494	0.3
88.98814	4.3
89.02445	13.6
93.03462	0.3
95.01399	1.0
97.02934	2.6
99.00896	1.1
99.04502	0.4
101.02438	13.5
102.02778	0.4
109.02955	0.3
111.00917	0.4
111.04509	0.4
113.02455	7.7
115.03963	0.4
119.03497	3.4
121.02957	0.3
124.01656	0.3
125.02454	7.9
125.09721	1.0
126.02792	0.4
127.11302	1.8
131.03526	0.5
133.05099	0.7
139.04008	1.0
141.01936	0.3
143.03514	3.6
149.04604	0.3
152.99573	0.3
153.09239	0.7
161.04556	3.5
167.03482	0.6
171.10266	100.0
172.10602	4.5
179.05630	3.5
181.04958	0.5
199.06152	0.8
209.11824	1.2
217.07115	1.0
219.04755	0.3
221.06711	1.2
235.08214	6.6
236.08493	0.3
245.06624	0.6
253.09261	1.2
259.08362	0.4
263.07663	0.5
275.20081	0.5
277.21710	63.2
278.22058	6.2
287.07880	2.2
291.23248	0.6
305.08896	2.4
319.22910	0.6
323.09814	1.0
361.11380	0.3
379.12439	10.3
380.12689	1.2
397.13495	38.6
398.13910	3.4
415.14526	8.2
511.61975	0.3
551.23193	1.1
569.24542	0.5
675.36279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	0.7
59.01380	15.5
60.99310	0.2
61.98830	2.1
64.13119	0.3
69.03458	1.1
70.51040	0.6
71.01382	16.3
72.28264	0.3
72.99303	1.9
73.02946	2.8
75.00868	0.4
78.95893	0.4
81.03465	1.0
83.01385	2.2
85.02944	4.0
87.00880	4.9
88.98818	2.9
89.02442	12.8
91.04040	0.4
95.01385	1.5
97.02948	2.2
99.00908	0.8
99.04536	0.3
101.02445	13.3
102.02801	0.4
103.00368	0.4
109.02924	0.4
111.04511	0.6
113.02453	8.1
114.02785	0.3
115.04045	0.4
119.03496	3.8
123.00816	0.4
125.02454	7.7
125.09705	1.2
127.11313	2.0
131.03488	0.7
133.05060	0.3
139.04005	0.6
141.01962	0.5
143.03516	2.4
149.04579	0.4
153.09210	0.5
161.04556	3.7
167.03490	0.6
171.10268	100.0
172.10602	4.3
179.05602	3.2
199.06139	0.6
209.11787	0.8
213.11285	0.5
217.07115	1.1
221.06653	1.2
233.22635	0.4
235.08202	6.0
236.08588	0.4
253.09302	0.7
259.08145	0.4
263.07840	0.5
277.21713	51.9
278.22028	5.5
287.07626	2.1
305.08820	2.2
323.09781	0.9
379.12448	9.4
380.12811	0.8
397.13492	33.9
398.13751	2.6
415.14560	7.9
416.14914	0.5
518.71722	0.3
551.23541	1.0
569.24402	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.3917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.0
60.99309	19.3
61.98834	2.7
70.99076	0.7
71.01380	0.5
87.00879	0.8
88.00404	2.5
88.98806	100.0
89.02438	7.9
89.99143	1.0
96.95969	0.3
101.02441	0.5
105.01936	0.4
116.92876	0.9
123.00890	0.6
125.02461	1.9
126.02841	0.3
168.00641	0.3
169.01434	1.8
171.10266	0.7
201.11217	0.4
209.11841	2.7
227.12857	0.6
300.99814	0.4
327.21725	0.5
637.33173	0.3
652.54871	0.3
723.08112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	17.9
59.22476	5.5
61.98830	100.0
71.01362	11.4
71.49889	9.4
72.99313	9.3
75.00866	13.3
78.95908	11.8
85.02978	10.5
88.98810	26.2
89.02451	12.2
97.02995	7.7
101.02451	8.1
125.02400	11.2
134.02315	6.2
169.01395	17.8
195.13809	5.9
197.11827	9.2
209.11813	9.9
211.13432	11.1
221.11839	34.3
223.13342	34.9
225.11217	10.0
237.21767	5.9
239.12927	33.3
253.09207	19.5
257.76508	6.0
289.18146	10.5
291.19662	19.5
307.19214	9.6
309.20724	32.3
309.96066	6.3
323.70779	7.0
401.61316	6.2
469.04364	6.0
495.82047	6.7
558.18817	5.9
651.03790	6.3
669.38776	6.8
706.36157	7.9
767.41064	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	827.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36124	0.5
59.01386	2.7
61.98837	9.6
67.01891	1.5
68.99802	0.6
69.03484	1.2
71.01382	3.1
72.99343	0.7
79.01895	1.2
81.03457	0.6
83.01371	1.4
83.05037	0.8
85.02972	0.9
87.00886	0.9
88.98795	1.6
89.02447	1.0
90.09524	0.6
95.01389	2.0
96.59086	0.6
96.96015	1.0
97.02938	1.0
99.00894	0.6
100.34529	0.6
101.02446	1.6
103.00362	1.2
105.01888	0.6
107.01403	7.9
109.02956	0.5
110.88755	0.5
111.00867	3.1
113.02497	0.6
116.92851	2.5
117.92863	1.0
120.99599	0.6
123.00894	11.7
124.01643	2.2
125.02455	37.6
125.09736	1.0
126.02769	1.7
127.00406	1.2
136.98776	2.0
137.02399	1.1
137.06082	0.6
139.00383	4.8
140.01180	4.8
141.01920	1.1
143.44519	0.5
145.02965	0.7
146.82080	0.5
151.00380	5.7
153.01935	0.8
163.03940	0.8
166.99863	1.8
168.00662	5.7
169.01431	41.5
170.01711	2.0
175.04001	0.6
179.03432	0.7
191.03537	0.8
193.01366	0.8
193.05040	0.7
209.11848	9.2
209.15381	1.1
211.02478	1.8
227.12720	0.7
229.46637	0.6
237.04071	0.6
243.61186	0.5
300.99850	1.2
302.41293	0.5
313.05527	0.9
453.04346	0.7
505.20792	7.7
506.21280	1.2
523.21875	14.7
524.22272	2.3
675.22986	100.0
676.23315	23.5
676.35181	1.2
795.36096	0.8
827.22919	0.6
827.37091	4.3
828.36993	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.5
61.98831	15.7
65.00317	0.6
67.01882	1.2
69.03445	1.2
69.21436	0.9
69.21830	3.6
71.01384	2.1
72.99284	0.8
73.02944	0.6
79.01892	1.3
81.03458	0.5
83.01405	0.6
84.96192	0.4
85.02932	1.3
87.00848	0.8
88.98790	1.6
89.02428	0.8
95.01397	3.1
96.95977	0.5
97.02958	1.4
99.00894	0.6
101.02420	1.5
105.01951	0.7
107.01394	8.2
109.02950	0.6
110.00093	0.5
111.00894	2.7
113.02485	0.9
116.92849	1.2
123.00888	13.0
124.01695	2.1
125.02451	41.3
125.09733	2.2
126.02788	2.0
127.00343	1.2
130.46342	0.4
136.98801	1.5
138.99448	0.6
139.00389	6.2
140.01176	5.3
140.51132	0.4
141.01918	1.1
147.04488	0.4
149.02419	0.6
151.00378	6.3
152.00871	0.4
153.01866	1.0
154.99783	0.5
161.02470	0.6
163.03955	0.5
164.01251	0.4
166.99823	1.6
168.00648	6.5
169.01422	45.2
170.01752	2.1
179.03503	0.9
183.02930	0.4
187.09750	1.2
193.01295	0.8
207.02875	0.6
209.09898	0.7
209.11833	8.8
209.15442	0.7
210.12177	0.5
211.02461	2.0
213.22215	0.4
227.12863	1.6
237.04037	0.6
271.04654	0.6
298.76624	0.5
300.99683	2.2
313.05637	0.8
397.13617	0.5
452.02859	0.4
479.22217	0.6
505.20895	7.4
506.20856	1.1
523.21924	12.1
524.22180	2.7
675.22955	100.0
676.23260	21.2
676.35162	0.9
795.35974	2.9
827.23810	1.3
827.37256	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	827.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.2
61.98831	1.0
65.00643	0.4
67.01876	0.7
71.01373	2.5
71.51957	0.6
73.02927	1.0
78.02354	0.4
79.01907	0.9
83.01372	0.6
83.96048	0.4
85.02964	1.4
87.00867	0.4
93.03468	0.4
95.01394	1.2
96.95979	0.8
99.00832	0.5
101.02444	1.7
107.01394	2.7
107.05000	0.5
111.00867	1.9
113.02414	0.8
116.92847	0.7
120.01231	1.2
123.00890	11.7
125.02454	12.3
126.02776	0.6
127.00311	0.5
128.71811	0.4
136.98798	1.0
137.02406	0.7
139.00389	3.8
140.01193	2.5
141.01955	1.2
145.02914	0.5
151.00366	7.3
155.03477	0.5
168.00618	2.6
169.01422	15.5
170.01720	0.9
209.08156	0.5
209.11678	0.7
211.02493	1.1
271.04633	0.5
300.99875	0.6
313.05756	1.0
523.21838	100.0
524.22198	17.7
675.22876	12.7
675.35638	3.7
676.23596	2.8
696.21674	0.4
722.54993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34662	0.8
61.98828	4.5
63.96236	2.2
69.03453	1.3
71.01372	8.4
71.50079	1.8
73.02929	1.9
78.95895	6.2
78.98592	8.3
79.95741	18.0
80.96516	100.0
81.03440	1.2
85.02938	3.5
87.00905	2.6
94.98096	22.2
96.96021	1.8
97.02944	2.7
101.02418	3.0
106.98088	6.3
111.51132	0.9
121.39589	0.9
122.97607	4.8
125.02434	3.9
132.83627	1.0
134.97591	7.6
136.99136	1.3
148.99142	8.5
152.98561	6.3
152.99686	2.1
164.97313	1.4
164.98636	16.4
176.20309	0.8
196.89342	1.6
206.99719	4.3
209.02180	0.9
209.11819	1.9
224.98689	1.7
225.00754	22.4
255.23221	2.2
283.26407	1.5
365.27054	2.9
422.30023	1.0
541.19647	2.2
565.30493	2.1
574.28619	1.0
754.47882	1.0
807.41785	1.8
808.42249	1.1
825.46631	89.5
826.46906	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	825.406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	27.4
59.95705	3.3
61.98835	36.3
71.01380	38.1
71.50777	6.0
73.02930	5.8
83.05043	3.9
85.57805	3.0
87.00877	7.7
89.02463	9.4
95.05071	4.4
101.02440	13.9
109.06601	8.9
111.08170	10.6
113.02469	7.3
116.92892	7.2
119.03539	6.0
125.02486	5.2
125.09747	11.9
127.11304	4.0
137.09698	5.3
147.04350	3.0
161.04599	3.7
161.46194	3.4
163.11327	7.3
164.94673	2.9
167.86594	3.0
169.12347	6.6
171.10281	61.3
172.10510	3.9
175.30667	3.2
181.08754	4.4
181.12331	7.7
182.32530	3.1
185.11719	3.7
197.11829	56.4
198.12190	3.6
199.09799	41.6
199.13397	9.9
200.10217	4.4
201.11337	86.0
202.11635	5.1
207.10298	34.1
209.11819	61.1
210.12163	4.6
211.13406	15.5
215.12982	3.2
223.09746	5.1
225.11307	54.3
226.11581	6.2
227.12961	16.0
235.08191	18.7
243.12386	7.9
253.09258	49.2
254.09705	5.1
263.20184	3.5
289.18121	13.4
291.19598	27.7
307.19208	19.0
309.20700	100.0
310.21063	9.5
327.21942	7.8
341.23309	3.2
343.24985	6.0
381.27277	3.2
387.68030	4.0
397.13589	3.7
433.20789	4.6
435.18732	9.2
461.20374	12.1
547.36945	3.7
664.32819	3.5
723.74615	3.2
727.39667	11.0
728.39026	4.3
735.37848	4.9
753.40308	10.9
754.41052	6.6
769.39771	3.8
771.41364	9.0
789.42944	14.7
790.43604	4.2
825.41144	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	825.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00225	0.9
59.01365	3.4
61.98834	8.8
62.00890	1.0
65.00311	2.6
65.63053	0.9
67.01879	3.1
68.99810	1.7
71.01374	6.5
71.51490	1.4
72.99294	3.4
75.00864	3.1
81.03400	0.8
82.00615	0.9
83.01373	3.3
83.05015	1.4
84.47399	0.7
87.00866	3.0
88.98811	2.7
89.02444	1.9
95.01385	3.3
96.95977	0.9
97.02924	1.3
99.00869	1.2
99.92587	3.3
101.02416	1.5
103.00362	5.1
106.00601	1.7
107.01363	1.5
110.00084	3.2
111.00166	1.5
111.00883	21.9
116.92857	16.0
123.00893	15.7
124.01690	10.9
125.02457	10.9
127.00383	8.7
134.89476	16.6
135.02974	1.5
136.98781	11.8
138.99335	1.6
139.00368	25.6
140.01157	32.9
151.00334	2.3
154.99831	2.9
161.02367	1.4
162.03114	1.5
163.11282	1.3
164.01135	2.3
165.12886	1.2
166.99910	6.3
168.00644	22.9
169.01460	8.2
171.10255	2.5
174.03188	1.2
177.05484	1.1
191.03429	1.8
192.04262	4.3
201.11308	3.5
207.10178	1.6
209.04660	1.0
209.11809	31.0
210.12126	2.2
225.11287	2.1
227.12819	3.4
235.08241	1.4
253.09285	2.2
259.73560	0.9
271.13318	2.0
273.11319	1.5
273.14856	1.4
289.14407	2.4
299.12946	5.9
308.82025	0.9
317.10284	2.0
317.13843	13.9
318.14014	1.4
327.21686	1.8
335.14850	1.2
361.12854	6.8
390.39145	1.1
417.53558	0.9
469.05429	1.0
536.58960	1.2
553.22876	2.1
571.23804	5.1
573.16223	1.2
615.22760	15.2
616.22992	2.6
745.40100	1.2
781.35278	2.2
825.35443	100.0
826.35785	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.4
60.99298	1.8
61.98832	13.8
71.01380	20.5
73.02947	2.7
75.00854	2.2
78.95894	1.3
81.03454	2.2
83.05012	3.7
85.02949	3.7
87.00855	1.8
88.98811	13.7
89.02448	5.8
96.96039	1.4
97.02974	1.9
97.06593	1.5
98.19856	2.4
99.00873	2.3
99.92566	1.6
101.02469	6.0
107.62119	1.3
109.06590	14.7
113.02439	4.1
116.92873	13.8
125.02464	4.4
125.05991	1.0
125.09733	2.1
135.08177	2.0
148.09772	1.2
161.04544	3.3
163.11282	11.7
165.12816	2.2
169.01451	4.2
171.10271	17.3
179.05559	1.9
181.12390	2.7
183.13918	1.5
185.11890	1.8
197.11713	1.5
199.09695	1.5
201.11292	4.4
207.10239	42.2
207.12190	2.1
208.10616	4.5
209.11816	100.0
210.12132	7.5
211.13409	10.5
221.18611	1.2
225.11299	23.3
226.11562	2.3
227.12871	21.6
228.13185	2.0
229.14505	6.6
229.70461	1.5
235.08205	7.5
239.12703	1.6
243.12225	2.0
253.09244	24.5
289.18417	1.7
291.19611	2.8
307.19205	2.1
309.20773	5.5
327.21747	64.9
328.21982	6.8
443.19077	1.8
445.20670	1.5
461.20282	9.1
466.36053	1.3
563.30957	1.7
771.41827	10.0
772.42749	4.0
825.37646	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	823.5209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86934	0.3
58.00582	0.5
59.01376	7.5
61.98827	3.8
69.03445	1.3
71.01379	7.3
72.99323	0.6
73.02947	2.3
78.95908	0.6
80.96512	1.0
83.01363	1.2
83.05005	1.0
84.02173	0.4
85.02946	8.5
87.00852	2.8
89.01919	0.5
89.02437	4.6
94.98051	0.4
95.01384	0.5
96.96008	0.7
97.02960	2.0
97.06596	2.0
98.20734	1.0
99.00911	0.8
101.02444	8.0
110.93788	0.4
111.08163	0.8
113.02445	4.2
115.03958	0.4
119.03468	2.2
122.55604	0.3
125.02420	0.8
125.09711	0.8
127.07605	0.3
127.11268	1.3
133.05049	1.1
134.84593	0.3
137.09721	2.0
143.03493	0.6
145.05057	1.7
150.83138	0.3
155.10770	0.9
157.05049	0.8
161.04538	4.2
165.12849	0.7
167.14391	0.4
169.04990	0.4
171.10258	20.6
172.10648	0.9
177.12740	0.5
178.69823	0.3
179.05612	0.8
181.12408	0.5
183.13870	1.5
185.11856	0.7
193.12321	0.6
195.13896	1.2
197.11778	2.1
201.11313	1.3
203.10782	0.4
209.11787	1.3
211.13379	8.5
212.13719	0.5
221.11818	1.4
221.31351	0.3
227.12895	0.5
229.14415	6.5
235.08220	16.6
236.08676	0.9
239.12869	0.8
253.09273	23.9
254.09618	1.6
259.20621	0.6
275.20242	0.6
277.21701	100.0
278.22028	9.3
291.19675	4.8
292.20087	0.4
293.21289	3.3
294.21539	0.7
295.22736	5.1
296.23007	0.4
309.20691	14.8
310.21072	1.6
311.22235	2.2
317.35339	0.4
326.36841	0.3
327.21738	66.4
328.22046	6.3
351.21600	0.5
513.30908	0.5
545.29449	1.8
563.30865	2.0
587.43359	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	823.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50610	1.2
63.96230	2.8
70.31695	1.5
71.01380	10.0
73.02936	2.6
78.95894	10.2
78.98604	7.9
79.95729	15.6
80.96517	100.0
85.02921	2.8
87.00872	4.0
94.98093	25.0
96.95992	2.1
106.98087	4.0
122.97549	5.0
125.02454	3.5
134.97581	5.7
136.99132	2.2
148.99132	7.0
152.98546	6.4
152.99611	4.2
158.97311	1.3
164.98607	13.9
171.10286	2.4
180.92520	1.3
196.89468	4.4
206.99634	2.9
209.11792	2.9
217.81830	1.4
225.00737	24.0
255.23311	1.5
435.13593	1.4
563.28741	1.9
610.81421	1.5
823.45294	92.7
824.45612	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	15.7
61.98832	87.3
69.47832	9.4
69.48244	24.6
71.01387	23.7
78.95908	45.9
80.96478	6.7
84.30477	4.5
84.87591	3.9
89.02436	5.4
96.95984	13.4
97.18179	4.9
98.20600	10.4
101.02433	10.5
113.02437	7.0
125.02451	6.4
125.09773	8.8
152.99591	17.0
163.11308	6.9
166.49588	4.7
169.01416	9.3
171.10251	27.4
187.09784	4.4
195.15382	4.6
197.11877	9.4
199.09709	7.1
199.13361	5.0
207.10292	22.5
209.11835	100.0
210.12128	13.5
211.13373	15.3
225.11293	32.7
225.14952	6.5
227.12846	25.0
235.08255	6.6
253.09248	22.0
264.60849	4.4
282.43939	3.9
291.19608	68.5
292.19992	7.1
293.21100	22.5
307.19031	4.7
343.24860	8.8
391.21368	5.2
479.23764	5.8
491.84726	4.7
755.42566	8.3
787.41547	8.9
823.49652	14.8
824.50677	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	823.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.6
61.98830	17.9
71.01389	15.2
72.25454	2.2
72.66045	1.8
78.14606	2.0
88.98805	4.4
89.02420	4.3
96.96021	2.5
97.02956	2.0
100.48949	1.9
101.02430	5.8
109.06633	4.9
113.02470	3.3
116.92864	24.0
121.55066	2.1
125.02485	3.2
135.45207	1.9
143.03474	3.4
163.11319	3.7
169.01358	2.6
171.10249	9.2
197.11795	3.4
199.13324	2.1
201.05838	2.1
201.11269	5.5
207.10210	9.9
209.11815	100.0
210.12151	4.9
211.13458	2.0
225.11287	6.1
225.14952	5.0
227.12888	21.3
235.08272	10.3
243.15984	3.3
253.09239	18.3
325.20197	3.5
341.23288	72.7
342.23703	7.4
445.20731	8.5
533.34534	4.9
577.32129	5.6
769.42249	3.2
823.42493	36.8
824.43164	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	823.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.95457	2.5
59.01389	7.7
60.09299	2.2
61.91596	2.5
61.98834	33.6
68.09500	2.5
71.01382	34.1
74.53960	2.9
78.95901	12.7
81.94234	2.4
82.95416	17.2
83.01347	2.5
83.05010	3.9
85.02983	3.5
85.49534	2.3
89.02438	3.6
96.96013	13.1
96.96988	2.8
101.02442	5.7
109.06594	10.4
113.06100	6.3
125.09679	2.7
152.99571	4.2
160.89064	2.5
163.11246	5.8
169.01360	4.6
171.10248	20.0
181.12303	5.4
199.09750	22.5
201.11317	6.6
207.10265	25.4
209.11816	100.0
210.12180	6.2
211.13452	3.0
223.13419	4.7
225.11298	24.2
227.12930	26.3
235.08249	4.3
253.09343	17.8
316.02548	2.7
435.18680	5.4
461.20367	8.4
519.97571	2.6
572.95190	3.1
574.60822	3.5
627.30603	3.4
653.30347	7.9
671.32513	3.7
823.39496	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	823.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67081	0.8
61.98831	100.0
63.36165	0.8
66.46308	0.9
69.31846	2.6
69.32270	3.5
71.01388	1.8
78.95904	58.8
78.98583	1.8
79.95746	2.3
80.96525	14.1
83.05003	1.1
88.98801	0.9
94.98090	2.7
96.96968	2.5
97.02934	1.3
98.20593	1.9
99.92590	10.3
106.98154	0.7
115.92079	18.0
116.92230	0.9
116.92867	22.6
117.92873	1.5
120.96951	0.9
124.06092	0.7
125.02413	0.8
128.98132	0.9
136.47920	1.1
150.97968	1.1
152.98611	1.0
152.99625	15.5
155.15742	0.8
155.95193	0.9
163.11275	1.0
163.89758	2.2
164.98643	2.0
171.00652	0.9
171.10297	0.9
172.95395	1.9
178.88463	4.4
179.89215	18.2
180.90076	6.7
181.90816	0.8
194.87849	1.9
195.00626	1.0
196.89481	17.1
197.89558	1.1
205.90775	1.1
209.11761	7.0
217.57045	1.1
225.00635	2.4
226.35638	0.8
235.91849	2.7
236.92583	2.5
277.21655	1.6
278.21878	1.1
289.17914	0.9
308.19534	1.5
433.11191	1.1
732.29883	1.8
755.28601	2.1
787.31165	1.6
823.33295	28.5
823.45563	10.7
824.32935	8.8
824.46033	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	822.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
61.98831	100.0
63.65169	0.2
68.99562	0.7
71.01382	0.5
78.95900	2.7
80.96523	1.9
87.00876	0.2
91.58087	0.2
94.98100	0.3
99.92606	0.4
101.02474	0.3
112.98566	0.5
115.92113	1.0
116.92859	1.1
152.99655	1.0
164.98695	0.2
178.88402	0.3
179.89220	0.6
180.89967	0.3
196.89508	1.2
209.11900	0.6
225.00800	0.3
277.21735	2.7
278.22131	1.7
289.18204	0.7
290.18634	0.6
307.19241	0.6
308.19495	0.3
531.42798	0.2
755.28528	0.3
823.31989	1.5
823.47192	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	821.5057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.8
59.01377	10.8
61.98829	14.3
69.03421	1.1
71.01374	8.0
71.86537	0.7
72.99294	0.9
73.02937	1.4
74.59262	0.8
75.00828	0.6
76.22419	0.8
77.68225	0.7
78.95902	1.8
79.95736	1.5
80.96534	4.0
81.03481	0.7
85.02943	2.0
87.00889	2.0
88.98828	0.9
89.02454	5.4
94.98105	1.3
95.01390	0.8
95.05057	1.1
96.96007	1.3
97.02940	1.2
97.06645	1.3
98.20670	2.0
99.00854	1.2
101.02443	6.7
111.08158	10.0
113.02444	3.3
113.09750	0.9
115.92097	1.2
116.92892	0.9
119.03514	1.4
125.02391	1.2
137.09732	1.2
141.09251	0.7
149.09837	0.8
153.24333	0.8
161.04579	3.0
167.10780	2.1
171.10286	1.1
177.12857	3.0
179.05675	1.5
179.10725	1.3
179.14320	0.9
181.12341	1.1
185.11836	9.3
195.13892	14.3
195.15591	1.3
196.14337	1.3
197.11859	1.6
205.15866	0.8
209.11830	3.2
211.13425	1.2
216.83736	0.8
223.13383	6.3
225.00812	1.9
225.15042	1.0
228.13632	1.4
229.20583	0.8
235.08170	3.3
239.13100	0.9
247.20702	1.3
253.09299	19.7
254.09686	1.3
255.23239	5.8
256.13110	2.1
273.18536	1.8
275.20090	8.5
276.20428	0.9
277.21698	6.6
281.24915	3.9
289.18219	2.6
291.19656	100.0
292.19968	8.3
293.21234	97.0
294.21539	8.5
295.22742	3.9
307.19073	3.9
309.20624	3.2
325.20215	1.9
379.12543	1.4
397.13367	3.5
572.30371	1.0
730.46155	1.2
778.48102	0.9
821.43884	3.0
822.43518	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	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.9
59.01377	6.8
61.98828	29.9
69.03436	0.5
71.01383	5.5
73.02936	0.9
77.23689	0.7
78.95895	2.2
79.95725	0.9
80.91679	0.7
80.96513	1.9
85.02936	1.7
87.00871	0.8
89.02422	4.0
94.98093	0.6
95.01402	0.7
95.05028	0.5
96.95992	0.6
97.02953	0.6
98.19866	1.3
101.02438	5.4
111.08160	8.5
113.02445	2.3
113.09805	0.7
119.03504	1.0
127.57867	0.6
131.03493	0.5
136.47762	0.5
150.24664	0.5
151.11211	0.7
153.12845	0.7
161.04591	2.5
167.10719	0.6
169.12332	3.3
171.10240	0.7
177.20406	0.5
177.81595	0.5
179.05513	0.9
179.10782	0.7
179.14403	1.1
181.12260	0.9
183.13898	0.9
195.13876	8.4
196.14447	0.7
197.11818	43.6
198.12137	2.5
199.13405	2.4
205.12204	0.6
211.13383	6.6
212.13730	0.8
223.13393	6.0
224.13707	0.7
227.12894	0.8
228.13615	0.7
235.08340	2.6
253.09256	27.0
254.09714	1.0
256.13071	1.2
263.20160	2.1
265.18008	1.1
273.18576	0.7
275.20129	7.4
276.20538	1.0
279.23315	2.5
280.23593	1.7
291.19641	12.4
292.19983	2.1
293.21207	100.0
294.21545	10.6
309.20688	50.6
310.21042	5.1
403.73639	0.5
492.22095	0.6
529.29889	1.1
545.29901	1.4
580.57837	0.6
585.41522	2.1
586.42291	1.1
591.00208	0.6
731.36932	0.7
821.42084	1.8
822.41821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.7
58.00607	0.4
59.01377	5.5
61.98829	41.8
69.03487	1.1
71.01379	5.2
72.99329	0.5
73.02965	0.9
78.95949	1.0
80.91726	1.4
80.96561	1.5
83.05082	0.7
83.53516	0.4
85.02993	1.3
87.00913	1.2
89.02448	3.7
95.01382	0.6
95.05075	0.6
96.96053	0.6
97.06634	0.5
98.19833	0.5
101.02448	5.1
109.06647	0.9
111.08155	6.8
111.08876	0.5
113.02437	2.6
115.36800	0.4
117.70443	0.4
119.03512	0.9
127.07687	0.9
143.03520	0.6
145.05095	0.5
153.12894	0.9
161.04561	2.7
167.10841	0.9
169.12325	3.0
171.10355	0.8
179.05637	1.1
179.10739	0.6
179.14438	0.7
181.12357	1.8
182.61928	0.4
183.13968	0.7
193.12386	0.4
195.13901	8.1
196.14432	1.2
197.11821	37.2
198.12163	2.3
199.13356	2.1
205.12341	1.1
205.15993	0.4
209.11800	0.7
211.13370	6.3
223.13373	5.5
224.13817	0.7
225.00728	0.5
227.12837	0.7
229.12245	0.5
231.21172	0.5
235.08253	2.5
241.01205	0.4
253.09271	28.8
254.09651	2.0
256.13043	0.7
263.20020	2.8
265.18039	0.9
265.21545	0.5
273.18454	0.9
275.20102	5.6
279.23196	1.3
280.23639	1.1
291.19647	13.5
292.19989	1.5
293.21216	100.0
294.21552	9.3
309.20688	57.2
310.21039	6.7
514.55664	0.4
514.64087	0.4
524.25348	0.4
529.30054	0.5
530.30475	0.4
545.29645	0.8
585.41840	3.0
586.42444	0.6
722.49835	0.5
729.45068	0.4
821.40485	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.7
57.23035	1.5
57.55577	1.5
58.00576	2.1
59.01381	34.4
61.98831	22.0
65.34372	1.4
68.99570	4.0
69.03461	4.2
71.01380	100.0
72.01716	4.2
72.99310	2.6
73.02952	5.7
73.44262	1.4
74.84774	1.3
81.03466	4.8
82.95422	2.2
83.01384	3.2
83.05036	10.1
84.02193	2.3
85.02951	8.3
87.00880	6.5
89.02441	21.2
90.02792	3.4
93.03463	2.2
95.01389	2.4
95.05028	1.7
96.95995	11.0
97.02953	5.5
97.06610	3.1
99.00884	3.2
101.02445	24.0
102.02803	2.1
103.02857	2.6
109.06607	10.3
111.00885	1.7
112.98547	3.4
113.02448	12.3
114.02781	2.0
116.92855	7.8
119.03517	4.9
123.77048	1.3
125.02451	11.0
125.09743	3.1
127.11246	1.8
135.08121	2.7
142.02711	1.5
143.03561	2.1
161.04559	6.1
163.11319	11.7
165.12859	3.2
169.01404	4.4
171.10268	54.3
172.10602	3.4
179.05632	4.0
181.12302	4.9
183.13924	5.4
184.14195	2.2
185.11842	6.2
189.09238	1.9
191.10779	1.8
193.12363	4.1
196.52086	1.4
197.11819	2.8
199.09854	4.5
199.13356	2.0
201.11325	12.7
207.10248	25.5
209.11821	95.4
210.10332	2.7
210.12177	36.4
211.13478	78.2
212.13736	36.0
213.13983	13.8
219.75401	1.4
221.11823	1.8
225.11317	24.1
225.14903	3.1
226.11748	1.9
227.12904	15.1
228.13217	5.8
229.14317	4.9
235.08214	8.3
236.08720	2.1
241.14470	3.8
243.12393	3.2
243.16008	1.9
253.09227	17.4
291.19687	3.9
309.20660	5.7
327.21741	33.0
328.22073	4.2
341.23315	26.1
342.23660	3.8
379.12518	4.5
380.12769	2.9
381.12927	1.9
397.13559	22.0
398.13791	16.5
399.14148	14.9
400.13983	1.8
415.14636	4.4
416.14954	4.1
417.15146	4.4
461.20190	4.7
469.05057	2.3
592.26520	1.7
609.27148	3.0
611.27740	2.5
711.08533	1.6
748.13098	1.6
771.42438	3.8
785.40045	2.0
789.43286	2.2
821.44238	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	821.4094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90190	0.9
59.01380	3.1
59.60991	1.0
61.98834	100.0
63.99257	6.0
71.01388	3.4
78.95897	3.5
78.98628	1.1
79.95741	2.0
80.91699	1.5
80.96531	2.9
82.95433	2.7
88.98800	1.9
89.02409	1.1
90.20493	0.9
90.56596	1.0
98.19760	2.0
101.02435	1.6
108.07278	1.0
109.27136	1.1
115.93948	1.1
116.23592	1.0
125.02443	2.5
138.07455	0.9
152.99623	1.5
163.11343	1.6
165.12811	1.0
169.01402	3.9
169.12358	1.8
171.10310	2.2
190.62695	0.9
197.11784	1.3
205.12398	1.1
207.10294	4.0
209.11826	11.1
210.11974	1.3
211.13417	3.0
225.00752	1.7
225.11339	4.2
229.27176	1.2
235.08095	1.4
253.09346	1.1
300.99979	1.1
307.19147	2.4
364.44235	1.0
461.20068	1.4
625.28418	2.0
821.39716	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	821.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71375	0.7
59.01376	1.7
60.92554	0.7
61.98835	100.0
63.99258	1.5
70.97849	1.8
71.01385	3.3
73.02968	0.9
77.85670	0.7
78.95895	3.6
80.96530	1.4
83.05033	1.0
87.00880	1.4
99.00895	1.1
100.84680	0.8
119.17455	0.8
120.94789	0.9
124.46145	0.7
125.02386	0.9
143.99123	1.4
145.05049	2.7
152.99585	1.9
171.10207	1.6
190.76633	0.8
197.11887	0.8
207.10188	1.5
209.11848	9.2
210.12204	1.0
225.11298	2.3
227.12927	1.3
253.09273	1.1
289.18076	2.3
307.19247	2.2
341.23383	0.8
342.24521	0.8
366.64755	0.9
815.81641	1.1
821.38940	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	821.3817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
58.00580	1.7
59.01384	24.5
61.98538	1.0
61.98829	11.2
68.44212	1.0
68.99568	3.7
69.03452	2.4
71.01007	1.5
71.01389	19.0
72.99306	2.5
73.02940	4.5
75.00883	2.2
80.02675	1.1
81.03436	2.9
83.01390	3.7
83.05031	6.8
84.02161	1.4
85.02933	4.3
85.13010	0.9
87.00865	4.5
89.02453	17.2
95.01399	1.3
95.04996	2.6
96.96017	15.7
97.02956	4.8
97.06573	4.5
98.19877	2.7
99.00883	1.9
101.02444	15.4
107.01379	1.7
112.98584	3.1
113.02444	7.0
114.93391	4.1
115.00371	1.0
116.92892	2.2
119.03490	3.5
121.02937	1.3
121.40463	1.0
123.00848	2.1
125.02444	11.8
125.09717	1.2
141.40649	1.2
146.04573	1.1
147.02965	1.3
151.11305	14.9
160.26918	1.1
161.04616	1.4
163.11307	5.1
165.12823	2.5
169.01453	8.6
169.12347	72.4
170.12636	3.4
171.10309	2.0
171.98666	0.9
176.06046	1.1
176.57272	1.1
179.05591	2.4
181.12328	1.2
182.12587	1.1
185.11891	1.6
195.10312	1.8
197.11920	2.3
199.13277	1.4
209.11838	60.4
210.12201	7.6
211.13499	5.3
212.13737	2.6
213.11324	12.2
221.06607	3.5
225.11272	1.9
227.12910	6.5
235.08249	2.0
264.71140	1.0
274.56396	1.1
286.82285	1.1
300.99875	2.2
339.87720	1.3
360.89279	1.1
397.13486	6.9
398.13794	2.4
415.14615	2.4
461.52902	1.0
469.05084	2.3
593.24847	1.7
611.25684	3.6
652.89343	1.2
730.10669	1.5
803.38336	1.8
821.38177	100.0
822.38531	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
61.98829	100.0
62.98554	0.7
63.99245	1.6
71.01383	5.6
72.93246	0.5
77.79833	0.4
78.95912	2.1
79.95734	1.1
80.91676	2.4
80.96521	2.5
82.95433	2.0
83.05041	1.0
88.98810	0.6
89.02465	0.6
94.98129	0.7
97.02976	0.9
97.06571	0.6
98.20660	1.1
99.00879	0.8
101.02478	1.2
109.06586	2.8
110.86819	0.5
113.02474	0.5
113.06061	1.0
125.02468	2.1
125.09745	0.5
126.38367	0.5
135.08200	0.5
163.11301	1.7
164.98627	0.5
169.01471	2.1
169.12480	0.4
170.50745	0.4
171.10249	2.5
173.06334	0.5
176.81100	0.5
180.12735	0.5
181.12326	0.7
185.11896	0.6
197.11952	0.6
199.09760	0.9
201.11349	0.5
205.08842	0.4
207.10240	7.5
209.11806	6.0
210.12245	0.6
211.13484	1.2
223.09856	1.2
223.13495	0.5
225.11299	5.0
226.11646	0.5
227.12915	1.5
233.11644	1.0
235.08400	1.2
253.09352	2.1
291.19559	0.5
293.21222	0.4
301.00024	0.7
459.18954	0.6
460.77521	0.5
461.20404	1.4
469.05344	0.7
547.16223	0.5
577.37775	0.5
607.27850	0.7
625.29236	1.5
643.30255	1.5
651.30225	1.3
669.31842	1.5
670.32794	0.6
687.32434	0.5
744.34808	0.6
821.38940	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	820.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98827	100.0
62.98544	0.2
63.99246	0.3
71.01387	0.2
78.91882	0.1
78.95918	0.4
80.96509	0.4
98.20726	0.3
101.02445	0.1
126.65868	0.1
136.80334	0.1
171.10307	0.3
178.99850	0.2
179.82310	0.1
196.07423	0.1
209.11989	0.2
211.13370	0.2
229.25368	0.2
244.98108	0.1
291.19708	0.3
293.21292	0.4
418.32239	0.1
555.18854	0.3
579.42999	0.2
674.22540	0.1
713.25024	0.2
821.40027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.3
60.31983	0.1
61.98829	100.0
62.98525	0.2
63.99261	0.4
65.42946	0.1
70.34885	0.2
71.01391	0.8
75.72507	0.1
75.91294	0.1
78.91933	0.1
78.95917	0.4
79.95723	0.1
80.91708	0.2
80.96532	0.5
83.43760	0.1
85.95686	0.1
87.00891	0.2
94.98096	0.1
98.20695	0.1
101.02473	0.3
108.15292	0.1
109.06592	0.1
113.02450	0.1
125.02467	0.2
131.52328	0.1
137.12978	0.1
143.99181	0.3
163.11340	0.1
164.13675	0.1
169.01469	0.2
169.12471	0.1
171.10303	0.3
184.45148	0.1
197.11888	0.3
207.10341	0.2
209.11806	1.0
210.12219	0.3
211.13445	0.3
212.13791	0.1
225.11343	0.3
241.01460	0.1
241.42329	0.1
253.09254	0.1
293.21384	0.2
382.92877	0.1
397.13565	0.2
468.27661	0.1
617.29663	0.1
820.38214	0.2
820.52063	0.1
821.39148	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.1
58.43876	0.4
59.01379	20.1
61.98820	1.4
68.99574	1.5
69.03445	1.5
70.25700	1.0
70.26084	0.8
70.32642	0.4
71.01382	16.7
72.99320	1.3
73.02943	3.4
80.02679	1.2
81.03444	2.9
83.01400	2.1
83.05022	5.1
83.16060	0.4
84.02180	1.0
85.02946	4.3
87.00880	4.8
89.02445	14.8
91.03991	0.5
93.03445	0.5
95.01388	1.3
95.05043	1.3
96.96005	1.4
97.02940	2.7
99.00890	0.9
101.02448	12.8
102.02773	0.5
109.06595	0.5
111.00864	0.6
111.04507	0.9
112.98582	0.8
113.02451	7.1
114.81520	0.4
119.03519	3.3
121.02975	0.6
125.02455	4.7
131.03488	1.1
133.05087	0.8
137.14969	0.4
143.03477	2.5
161.04547	3.3
163.11288	4.2
165.12836	3.0
171.10274	1.4
179.05611	4.3
183.12381	0.7
183.13892	6.4
191.10779	0.7
193.12323	1.5
207.10236	0.9
209.11823	100.0
210.12140	5.8
211.13390	85.4
212.13736	6.0
217.07175	0.5
221.06662	1.3
225.11330	0.4
226.11621	0.5
227.12888	14.9
228.13187	0.5
235.08223	5.0
249.14893	1.0
251.12823	0.7
253.09279	1.0
287.07697	1.0
291.78824	0.4
305.08795	1.8
323.09641	0.8
341.23425	0.8
379.12476	5.8
380.12717	1.0
381.13379	0.5
397.13504	34.1
398.13718	3.0
403.24649	0.6
415.14587	9.1
416.15060	0.9
421.26035	0.6
589.25305	0.7
591.26501	1.3
607.26111	0.9
609.27448	2.9
783.37506	0.9
801.38904	0.7
819.39838	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.3
61.98830	100.0
62.98540	0.7
63.99258	2.9
69.03456	0.6
71.01384	13.7
72.01714	0.5
72.99310	0.5
73.02945	0.8
75.00876	0.4
78.95928	1.6
79.95755	1.8
80.81765	0.4
80.96516	3.7
83.01400	0.6
83.05003	1.1
85.02959	1.0
87.00896	1.3
89.02457	1.5
94.98083	0.5
95.05032	0.5
96.96032	1.4
97.02962	1.5
97.06587	1.2
99.00887	1.6
101.02451	1.9
109.06561	2.4
111.04554	0.8
113.02455	1.0
117.95499	0.4
123.04520	1.1
125.02460	1.0
125.09744	1.6
137.09659	0.5
152.98647	0.7
161.04607	0.5
163.11319	2.0
169.12363	0.6
171.10289	3.5
179.05493	0.5
179.10765	0.8
181.12302	2.1
181.86714	0.5
185.11925	1.1
193.12404	0.6
197.11806	2.1
199.13440	1.2
201.11308	1.0
205.08751	1.8
207.10231	4.5
209.11850	4.6
211.13440	2.0
221.11847	0.5
223.09734	2.5
223.13280	0.9
225.00922	0.7
225.11285	5.6
226.11748	0.6
227.12953	0.9
235.08318	0.8
243.12459	1.2
245.19090	0.7
253.09322	1.9
289.18225	1.6
290.80746	0.5
291.19586	2.5
307.19321	1.3
309.20746	1.5
341.23413	0.9
397.13449	1.2
461.20764	0.7
479.21597	0.6
769.40686	0.6
819.37854	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	819.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.9
59.01382	16.7
61.98828	32.6
69.03444	3.2
70.10461	1.5
70.93249	2.9
71.01382	21.8
73.02938	2.6
75.00897	1.6
78.95906	4.5
79.95743	5.6
80.96526	12.1
81.03467	2.8
83.01375	2.2
83.05025	5.9
84.02139	3.4
85.02962	5.1
87.00881	4.7
89.02448	9.5
94.98109	2.4
95.01389	1.9
96.95383	1.8
96.96014	33.0
96.96964	2.7
97.02956	2.2
97.06579	4.3
99.00904	2.0
101.02455	10.7
109.06608	2.4
112.98583	1.5
113.02462	6.8
116.92886	1.7
119.03476	2.1
125.02438	4.1
125.09682	3.0
135.08167	1.6
137.09782	1.3
142.02702	1.2
144.30598	1.3
153.14188	1.2
161.04562	4.3
163.11249	5.0
164.98573	1.9
165.12823	3.4
169.12340	26.6
170.12682	1.8
171.10281	18.6
172.10568	1.9
179.05556	1.9
181.12367	2.7
183.13869	6.9
193.12378	6.9
197.11771	3.0
199.13393	2.8
201.11441	1.5
207.10266	6.0
208.10478	1.8
209.11827	100.0
210.12134	10.3
211.13428	29.1
212.13751	3.0
225.00739	3.2
225.11316	8.6
225.15004	7.9
226.11597	1.4
227.12935	12.1
228.13167	2.1
235.08220	13.6
241.14534	2.1
243.15912	4.0
246.53767	1.6
253.09274	16.8
254.16853	1.5
273.17084	2.5
323.22290	1.9
327.21585	1.5
341.23306	68.3
342.23618	5.8
348.67352	1.5
397.13498	13.5
398.13785	1.9
405.21140	3.2
415.14603	3.4
445.20743	1.9
559.31079	3.4
577.32300	3.9
609.27979	1.8
648.22272	1.5
703.35565	1.6
705.25671	1.7
773.43109	2.4
791.43079	1.8
801.40637	3.0
819.39191	18.0
820.39337	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	819.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
65.48631	0.4
71.01390	0.8
71.52168	0.4
77.12641	0.4
83.01411	0.3
85.02937	0.5
86.33440	0.3
99.00883	0.5
103.14100	0.3
109.75961	0.3
110.00056	0.3
111.00900	1.5
123.00940	0.6
124.01665	1.3
125.02441	1.1
127.00404	0.5
136.98796	1.5
139.00346	1.9
140.01173	2.4
151.00404	0.4
168.00645	4.5
169.01399	1.5
183.02991	100.0
184.03349	4.0
254.62227	0.3
284.49475	0.3
286.16449	0.4
335.04092	17.2
336.04559	1.7
469.05103	0.7
483.18631	0.7
525.19983	1.5
819.31970	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	819.402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.7
58.00590	1.0
59.01381	21.0
61.98830	4.9
68.99565	1.2
69.03452	1.8
70.99239	0.4
70.99547	0.6
71.01382	16.2
72.73275	0.4
72.99290	1.5
73.02939	2.5
78.95918	0.5
80.02676	1.2
81.03453	2.5
83.01372	1.7
83.05023	5.4
84.02159	1.1
85.02962	3.4
86.61299	0.4
87.00880	5.7
89.02448	15.0
95.01392	2.0
95.05037	0.6
96.95993	2.4
97.02948	2.0
99.00880	1.1
101.02449	11.7
109.06622	0.5
111.04483	0.6
112.98552	0.9
113.02451	5.9
114.93453	0.5
119.03520	3.2
119.04294	0.6
125.02459	5.1
131.03520	0.7
135.08153	0.5
139.04042	0.7
141.01944	0.5
143.03497	2.3
150.29153	0.4
155.10785	0.5
161.04567	3.4
163.11298	3.7
165.12852	2.3
167.03406	0.7
167.10887	0.6
167.14442	1.0
169.01418	0.5
171.10272	1.5
179.05592	4.9
181.12299	1.0
183.13881	5.3
184.14369	0.6
193.12303	1.8
197.11838	0.5
199.13440	0.7
207.10341	0.6
209.11826	100.0
210.12122	7.6
211.13388	87.2
212.13747	5.2
221.06667	1.8
223.26779	0.4
225.11029	0.5
225.15012	0.8
227.12881	15.9
228.13188	1.2
235.08208	4.3
249.14789	0.6
259.08295	0.6
287.07706	1.3
305.08740	1.6
323.09842	1.0
341.23691	0.7
379.12555	5.4
380.12939	0.5
397.13477	37.4
398.13736	2.3
415.14563	7.8
416.14645	0.9
421.25842	0.5
589.24915	0.8
591.26489	1.2
607.26196	2.0
609.27594	2.7
610.27869	0.6
653.37152	0.5
783.38763	1.1
801.38922	0.7
811.28259	0.5
819.39630	1.1
852.35626	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	17.8
58.60208	0.9
59.01385	2.5
64.34346	0.9
65.22654	1.0
68.99832	1.1
71.01376	8.2
71.50539	1.4
72.99321	2.1
73.02946	3.5
73.44863	1.0
75.00891	2.4
83.01392	11.1
84.02182	2.6
85.02953	100.0
86.03310	2.0
99.00858	1.1
101.02467	7.8
107.62888	0.9
111.00883	37.8
112.01288	1.1
117.03423	0.9
119.05006	10.3
125.02414	4.9
129.01945	54.1
130.02281	1.7
138.71378	1.1
145.02979	2.6
147.02953	1.2
159.02986	1.4
161.04518	4.9
163.04039	9.4
169.01416	3.0
187.02534	3.8
191.05576	5.8
192.05824	1.1
205.03520	50.9
206.03912	1.3
209.08208	1.5
223.04584	86.7
224.04991	2.9
287.05499	1.7
300.99957	6.6
302.00189	1.6
303.00577	2.2
351.07077	1.7
369.08215	37.4
370.08612	3.5
371.13406	1.6
395.25131	1.0
567.30078	1.1
751.41016	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
60.57750	0.1
61.98829	100.0
70.79813	0.2
70.80139	0.2
80.96519	0.5
293.21286	0.2
307.18915	0.1
337.38104	0.1
611.50146	0.1
734.01331	0.1
819.42114	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.8
61.98829	100.0
63.99257	0.2
71.01382	1.2
78.95914	1.4
79.95731	0.2
80.96523	0.9
82.06661	0.2
83.12341	0.2
87.05642	0.7
87.38386	0.2
88.98852	0.3
96.96998	0.2
97.04034	0.3
98.20703	0.4
110.61224	0.2
112.07721	0.2
113.02419	0.3
121.04124	0.3
125.02475	0.4
129.10341	3.2
130.08698	0.4
139.08813	0.4
140.07214	0.6
146.06178	0.4
155.08305	0.8
164.09558	0.6
164.11607	0.2
165.10342	0.8
167.08244	0.3
169.01439	0.3
171.10252	0.4
182.13065	0.3
183.11385	0.4
197.11853	0.7
197.16583	0.3
197.21492	0.2
198.12253	0.3
200.14032	1.0
207.10353	0.4
207.15004	2.2
209.11940	0.5
211.13441	0.7
224.17706	1.2
225.11407	0.4
225.16139	0.5
241.13382	0.5
242.18750	2.0
259.14429	0.5
275.41415	0.3
276.17215	0.3
277.21777	0.3
291.19778	0.6
293.21173	0.4
295.21768	1.1
309.20837	0.3
312.17218	0.3
313.22519	0.8
337.26111	1.4
355.27277	0.8
382.71527	0.2
397.13480	0.4
472.60303	0.2
539.39569	0.5
573.37256	0.3
615.41650	0.2
781.09821	0.2
782.51825	16.4
783.52112	5.1
808.20435	0.2
818.49988	2.5
819.51971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
60.77684	0.1
61.98835	100.0
62.98534	0.2
62.99299	0.1
66.88084	0.1
71.01387	0.6
71.89491	0.1
75.00880	0.2
78.95911	0.8
80.96530	0.3
83.05051	0.2
89.02459	0.3
98.19881	0.3
101.02467	0.4
102.33235	0.1
111.41860	0.1
113.02456	0.2
119.08716	0.2
121.02997	0.1
121.10270	0.1
122.51602	0.1
123.08147	0.1
125.02378	0.2
125.09723	0.2
129.37097	0.1
135.08203	0.4
135.11385	0.1
135.85069	0.1
136.75369	0.2
140.01227	0.3
152.99657	0.2
171.10265	1.1
185.11807	0.3
186.12317	0.1
193.12500	0.2
195.13945	0.2
197.11838	0.2
199.09927	0.2
207.10210	0.3
209.11894	0.7
211.13495	0.6
223.13441	0.3
225.14983	0.2
235.08289	0.2
253.09378	0.6
275.20261	0.1
277.21698	0.2
289.18115	1.1
290.18478	0.6
291.19687	1.4
292.20114	0.5
293.21225	1.6
295.22778	0.5
307.19238	0.5
308.19467	0.2
309.20844	0.3
311.22406	0.4
341.69934	0.1
343.25055	0.5
369.08923	0.1
525.26617	0.2
612.91919	0.2
800.48303	0.2
801.49249	0.3
818.52014	0.9
819.38141	0.3
819.52332	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.42
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.1
59.01377	0.9
61.98829	100.0
62.98534	0.1
63.96236	0.1
69.03465	0.1
71.01389	1.5
71.50026	0.2
73.02965	0.2
77.51059	0.1
78.95920	0.2
78.98598	0.2
79.95739	0.5
80.96517	3.1
83.01377	0.2
83.05009	0.1
85.02956	0.4
87.00891	0.4
89.02437	0.6
94.98095	0.8
97.02982	0.4
99.00923	0.1
101.02464	0.7
106.98106	0.2
109.06590	0.7
113.02483	0.3
122.97599	0.1
123.08113	0.1
124.25370	0.1
125.02464	0.4
125.09760	0.2
131.82587	0.1
134.97609	0.1
148.99194	0.1
152.98656	0.3
163.11285	0.4
164.98607	0.5
171.10301	0.5
179.05634	0.2
183.13962	0.2
197.11801	0.2
199.13434	0.1
201.11427	0.1
206.99693	0.1
207.10249	1.2
208.10497	0.5
209.11810	1.6
210.12280	0.1
211.13379	2.3
211.15149	0.2
212.13725	0.6
217.07341	0.1
225.00758	0.8
225.11380	0.7
226.11798	0.3
227.12946	0.4
235.08299	0.2
241.14497	0.3
341.23398	0.2
362.34521	0.1
369.65485	0.1
379.12271	0.1
384.22992	0.2
397.13559	0.8
398.13828	0.2
401.23276	0.1
402.23480	0.1
415.14728	0.2
473.31012	0.1
520.39368	0.1
589.35706	0.1
591.25287	0.1
772.36877	0.1
800.37085	0.8
818.37927	1.1
819.38477	3.4
819.53357	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.1
61.98829	100.0
62.98531	0.2
70.75253	0.1
70.75597	0.2
71.43928	0.1
81.15607	0.1
486.87814	0.1
501.33084	0.1
755.28040	0.1
828.26746	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	818.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
62.98540	0.2
80.96552	0.1
104.08506	0.1
129.89612	0.1
176.83534	0.1
209.11833	0.2
233.08711	0.1
280.76682	0.1
335.54944	0.1
689.10632	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98832	100.0
62.98534	0.2
63.99263	0.5
69.63599	0.7
71.01402	0.3
78.95906	0.2
79.95763	0.1
80.96527	0.3
97.02976	0.1
98.20668	0.1
103.66640	0.2
125.02420	0.1
171.10278	0.2
207.10431	0.1
209.11876	0.4
211.13445	0.3
293.21347	0.3
473.05713	0.1
560.17535	0.1
779.73871	0.2
785.76434	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	818.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.7
61.98830	100.0
62.98531	0.3
68.78661	0.1
69.50198	0.1
71.01385	1.2
73.02973	0.2
79.95741	0.4
80.96519	1.7
85.02962	0.2
87.00892	0.4
89.02424	0.5
94.98091	0.4
97.02969	0.3
98.20689	0.2
101.02459	0.4
109.06623	0.4
110.89928	0.1
113.02453	0.2
119.03457	0.1
125.02454	0.4
125.09753	0.2
128.65594	0.1
149.80418	0.1
152.98659	0.1
163.11298	0.2
164.98593	0.3
171.10321	0.3
195.58762	0.1
201.11482	0.1
207.10156	0.8
208.10594	0.2
209.11795	1.3
211.13405	1.4
212.13762	0.3
223.09660	0.1
225.00774	0.4
225.11342	0.4
226.11903	0.2
227.12903	0.3
229.26472	0.2
235.80342	0.1
244.66373	0.1
290.15472	0.1
309.75397	0.1
331.20969	0.1
341.23322	0.2
397.13599	0.4
398.13965	0.2
401.23438	0.1
415.14581	0.2
515.47260	0.1
624.26697	0.2
800.38025	0.6
818.37921	0.7
819.38318	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	818.215
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	0.3
71.50109	0.4
73.64423	0.2
82.52085	0.2
85.02956	0.2
92.81688	0.2
116.05069	2.4
117.03436	0.3
123.00841	0.2
125.02457	1.0
137.02425	0.6
145.02925	0.3
147.04498	0.2
151.00398	0.2
159.03244	0.5
159.04468	0.4
160.04036	100.0
161.02380	0.4
161.02960	0.3
161.04375	5.2
169.01416	1.2
171.81329	0.2
173.02446	0.3
175.04051	0.4
185.02377	0.7
191.03464	0.4
191.05496	0.3
201.01909	0.7
203.03609	0.3
204.03024	3.9
211.02484	0.4
217.01372	0.3
226.99750	0.2
229.01451	1.1
230.01781	0.4
231.02989	0.9
245.00800	0.4
247.02534	0.7
249.04083	0.6
257.00946	0.8
258.01331	0.3
271.04663	0.8
273.00446	0.4
275.02008	2.5
276.02271	0.6
283.99640	0.4
298.98383	0.3
299.98947	0.5
300.99887	16.9
302.00220	5.9
303.00482	1.3
304.00693	0.4
355.10330	0.2
366.08273	45.7
367.08527	5.1
405.04987	0.2
483.07071	0.2
649.30090	0.3
786.08795	0.6
787.07953	0.4
818.10779	1.4
819.11560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
59.33413	0.6
61.57220	0.5
61.98829	1.7
64.01108	0.5
65.00332	1.1
67.05624	0.4
78.39490	0.5
83.01371	0.7
93.03468	0.6
99.18861	0.5
107.01401	2.2
108.02184	1.4
109.02938	0.7
125.02451	1.1
135.00854	0.8
148.01657	1.3
151.00360	6.4
152.01060	0.5
163.00368	1.2
164.01094	0.7
169.01457	1.6
178.99879	2.2
191.05597	7.3
199.04054	0.7
216.04202	0.8
226.02731	1.5
227.03442	2.4
235.70049	0.5
243.02968	10.3
244.03465	0.8
254.02213	2.0
255.02985	22.1
256.03418	1.6
271.02466	50.8
272.02927	5.8
299.01913	2.2
300.02740	100.0
300.99762	1.0
301.03229	13.6
337.09280	1.1
400.29135	0.5
403.32339	0.5
572.76221	0.5
755.20367	66.4
756.20624	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	817.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.2
59.88251	0.3
61.98830	100.0
62.98529	0.5
63.99247	0.4
67.73048	0.4
69.03490	0.5
71.01382	2.9
71.49682	0.5
71.50085	0.5
75.00887	1.4
77.26779	0.3
78.95914	1.0
79.95741	0.8
80.96519	2.4
81.03446	0.5
85.02956	0.8
87.00871	0.5
89.02438	1.7
95.01385	0.4
96.88198	0.4
97.02984	0.8
99.00914	0.4
101.02454	2.3
109.06612	0.7
111.08185	1.5
113.02499	1.1
119.03465	0.5
125.02469	1.0
136.24020	0.4
141.01750	1.0
153.12865	0.7
163.11337	1.2
169.01453	0.9
169.12355	2.6
171.10347	0.9
179.05647	0.5
197.11830	35.6
198.12166	2.9
199.13498	0.5
207.10246	3.1
209.11755	2.0
211.13376	3.6
225.11421	1.6
227.13004	0.7
233.16536	0.4
235.08310	1.6
239.12990	0.6
253.09251	3.7
291.19687	4.1
292.20221	0.4
293.21030	0.5
300.99802	0.6
309.20703	11.7
309.24210	0.6
310.21021	1.7
397.13687	1.0
433.20697	2.6
527.28766	0.5
545.30066	1.0
799.37958	1.1
817.39044	2.0
817.52435	0.6
818.50458	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.5
59.01382	6.6
61.98831	100.0
62.98528	0.4
64.34117	0.3
69.03455	0.6
70.81453	0.4
71.01387	2.2
71.40330	0.4
73.02951	0.6
75.00891	0.8
78.95919	1.0
79.95736	0.6
80.96521	1.3
82.96029	0.3
83.05037	0.7
85.02926	0.9
87.00887	0.9
89.02454	1.5
97.02976	0.5
98.73940	0.4
101.02446	1.8
109.06620	0.9
111.08180	0.8
113.02454	0.7
125.02458	0.7
125.09734	0.4
141.01735	1.0
161.04561	0.9
161.47589	0.4
163.11296	0.8
165.16786	0.4
169.01477	0.4
169.12302	2.0
171.10307	0.4
183.13889	0.4
185.11841	0.4
197.11835	29.4
198.12122	2.0
207.10277	3.1
209.11870	1.9
211.13448	3.5
218.18456	0.3
225.00732	0.5
225.11339	1.8
227.13013	0.5
235.08324	1.5
253.09346	3.8
291.19620	3.9
301.00046	0.6
309.20709	10.7
310.21121	1.1
311.22244	0.6
327.21472	0.5
397.13571	1.4
401.23611	0.6
433.20834	1.6
545.29779	0.9
763.55988	0.4
799.37964	1.3
817.37042	2.5
817.50916	1.3
818.37146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02450	0.3
69.76638	1.6
91.25233	0.3
93.13815	0.4
95.01350	0.8
97.02999	0.4
107.01389	1.2
111.00870	0.5
123.00845	1.8
125.02451	9.1
129.03424	0.3
131.05025	0.4
133.02980	0.5
137.02422	0.4
139.00368	0.6
140.01208	0.5
145.02956	1.7
147.04424	0.4
157.02948	0.6
159.04443	0.5
161.02446	0.5
163.03979	0.5
167.03430	0.4
168.00623	1.1
169.01416	8.5
170.01840	0.4
173.02425	1.6
173.71207	0.4
175.03992	1.0
185.02393	2.8
189.01981	0.4
191.03360	0.4
193.01361	1.0
201.01921	3.2
203.03525	2.4
204.52492	0.4
211.02477	1.5
213.01981	0.5
217.01366	0.6
219.02959	0.6
226.99753	0.7
229.01384	5.6
230.01828	0.6
231.02992	1.7
245.00870	2.2
247.02512	0.6
249.04048	3.3
257.00928	4.0
258.01505	1.1
271.04523	1.4
273.00418	0.7
275.01962	10.0
276.02423	0.7
283.99643	2.5
284.99899	0.4
298.98563	0.4
299.99161	2.9
300.99878	100.0
302.00238	7.8
303.00400	0.8
313.05652	0.4
331.06842	0.5
341.46783	0.3
443.48087	0.4
483.07669	3.7
484.08298	0.5
515.10297	0.8
734.19458	0.4
767.96204	0.4
785.08289	4.1
786.09308	1.4
817.11096	12.3
818.11542	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	817.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.1
58.00586	0.2
59.01379	3.9
61.98830	100.0
62.98530	0.1
69.03457	0.5
71.01382	3.1
72.99311	0.2
73.02950	0.5
73.30781	0.1
78.95918	0.4
80.02663	0.1
80.96510	0.7
81.03466	0.3
83.01386	0.4
83.05018	0.4
85.02968	0.7
87.00879	0.7
88.98868	0.1
89.02442	2.4
93.03490	0.1
95.01403	0.2
95.05015	0.3
97.02953	1.3
97.06597	0.3
99.00906	0.3
101.02445	2.2
103.01752	0.1
109.02956	0.2
109.06593	2.5
110.03751	0.1
111.04540	0.2
111.18800	0.1
113.02452	1.1
116.92872	0.2
119.03515	0.5
121.06600	0.2
123.08167	0.1
125.02450	0.8
125.09710	0.5
135.08163	0.5
136.05258	0.2
139.03934	0.1
142.02730	0.3
143.03487	0.2
161.04509	0.4
163.11279	1.4
164.11655	0.1
167.14476	0.2
171.10266	0.5
179.05672	0.6
179.10776	0.2
181.12323	0.5
183.13924	1.0
185.11844	0.4
189.09158	0.2
193.12331	0.2
197.11809	0.5
202.41086	0.1
206.99878	0.1
207.10245	6.8
208.10594	0.5
209.11807	1.3
210.12123	0.1
211.13388	7.6
212.13776	0.7
215.62981	0.1
221.06627	0.4
221.11707	0.1
221.15474	0.2
223.13416	0.3
225.11310	3.8
226.11606	0.3
227.12862	0.2
229.76480	0.2
233.11752	0.1
235.08167	0.5
247.13347	0.2
249.14966	0.2
251.12852	0.2
253.09196	0.4
279.84982	0.1
280.15854	0.1
287.07669	0.1
293.20776	0.1
299.14850	0.1
339.23154	0.4
341.23053	0.2
355.22864	0.2
357.24496	0.2
373.23724	0.3
375.25305	0.1
379.12427	0.2
383.22354	0.6
391.24850	0.5
397.13461	2.9
398.13770	0.3
401.23285	1.5
402.23584	0.1
415.14594	0.8
419.24457	1.1
420.24756	0.2
605.24341	0.4
609.26282	0.2
615.43756	0.1
619.30005	0.1
623.25281	0.4
771.37958	0.5
772.38232	0.2
781.36359	0.3
782.36597	0.2
785.42584	0.2
799.37622	3.3
800.37598	1.0
817.38281	4.6
818.38330	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	816.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.3
61.98832	100.0
64.67486	0.2
69.57954	1.4
72.38416	0.2
78.95910	2.8
79.95757	0.7
80.96522	1.7
85.02923	0.2
88.98826	0.2
94.98103	0.7
96.96015	0.5
96.96976	0.6
134.97549	0.2
136.89136	0.2
152.99643	0.5
164.98647	0.3
171.10312	0.7
209.11899	0.3
225.00745	0.4
225.11259	0.4
227.47179	0.2
241.01257	0.8
255.23405	1.0
256.23663	0.5
277.21777	0.5
279.23145	0.4
291.19739	0.4
562.31879	0.3
726.39587	0.7
780.40466	0.5
798.40729	1.5
799.41064	0.4
816.49756	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90716	0.3
59.01383	0.4
64.35201	0.4
67.01898	0.4
67.50843	0.4
69.13910	0.4
69.32625	0.3
69.38302	3.0
85.02943	0.4
95.01364	0.9
98.19952	0.9
107.01387	1.4
109.02974	0.4
110.08222	0.4
111.00896	0.4
113.02430	0.5
123.00920	2.0
125.02457	7.7
126.02778	0.5
137.02385	0.4
145.02917	0.9
147.04486	0.8
151.00391	0.4
157.02937	0.9
159.04559	0.7
161.02487	0.8
163.03989	0.6
167.67448	0.4
168.00760	0.8
169.01425	9.1
173.02470	1.9
175.03946	0.9
177.01854	0.4
185.02461	3.4
189.01924	0.7
190.02649	0.4
191.03496	0.7
193.01431	1.7
197.94862	0.4
201.01955	2.5
203.03497	2.9
207.03104	0.4
208.18372	0.3
211.02562	2.2
213.01947	0.8
217.01338	1.3
227.00021	0.5
229.01414	6.6
230.01878	0.8
231.02998	2.6
241.03763	0.5
245.00999	2.0
247.02496	0.5
249.04050	3.8
255.99919	0.4
257.00839	4.0
258.01639	1.5
271.04630	1.5
273.00409	0.8
274.00928	0.5
275.01950	11.1
276.02332	0.6
283.99634	2.7
299.98990	3.0
300.99875	100.0
301.96936	0.8
302.00220	10.1
310.95724	0.4
331.06717	0.7
391.29968	0.4
395.57813	0.4
483.07715	4.5
515.10352	0.9
785.08356	8.9
786.08521	1.7
817.10931	12.1
818.11523	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	816.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98829	100.0
62.98544	0.3
71.26447	0.2
75.26333	0.1
77.79858	0.1
84.81947	0.1
91.34614	0.1
121.34624	0.1
130.29037	0.1
141.01726	0.3
144.85014	0.1
171.70021	0.1
172.29793	0.1
286.92828	0.1
461.20612	0.2
819.21997	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	816.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
60.99315	0.2
61.98835	100.0
62.98549	0.2
63.99270	0.2
65.04509	0.1
69.64203	0.7
70.59743	0.1
71.01389	0.2
74.21626	0.1
78.91925	0.2
78.95924	0.2
79.95760	0.2
80.96540	0.6
84.02030	0.1
88.98821	0.7
94.98087	0.2
101.02454	0.1
109.06626	0.2
146.00372	0.1
150.04617	0.1
207.10326	0.4
209.11981	0.2
211.13496	0.4
223.13589	0.1
225.11324	0.1
309.20773	0.2
311.22498	0.1
521.55420	0.1
636.79938	0.1
742.42236	0.3
799.38177	0.2
800.62988	0.1
816.51270	0.2
817.38501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
61.98831	100.0
62.98555	0.1
71.01398	0.4
73.02937	0.1
79.95737	0.2
80.96513	0.9
83.05024	0.1
87.00887	0.1
89.02435	0.2
94.98123	0.2
96.96049	0.2
98.66063	0.1
114.52677	0.1
116.92870	0.2
169.01509	0.1
175.16122	0.1
175.46091	0.1
197.11880	0.7
198.12183	0.2
207.10352	0.3
209.11835	1.7
210.12143	0.7
211.13481	0.4
225.00778	0.3
225.11461	0.1
227.12909	0.3
253.09409	0.3
291.19736	0.3
292.19955	0.2
309.20764	0.6
310.21112	0.5
311.71817	0.1
397.13739	0.1
538.21802	0.1
644.48651	0.1
756.80109	0.1
816.49634	0.6
817.36298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
61.98830	100.0
62.98541	0.1
69.90443	0.5
71.01417	0.1
78.95911	0.1
80.96525	0.3
81.02779	0.1
82.99487	0.1
84.97311	0.1
91.96733	0.1
113.78971	0.1
116.92914	0.1
130.23570	0.1
154.05295	0.1
183.88051	0.1
197.11960	0.1
207.10379	0.1
207.63815	0.1
209.11951	0.2
211.13429	0.1
465.77893	0.1
768.24042	0.1
817.37726	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	816.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
61.98831	100.0
68.99557	0.2
70.58112	0.1
71.01377	0.6
72.31750	0.1
72.99325	0.1
74.75948	0.1
75.68748	0.1
78.95924	0.3
79.95715	0.2
80.96538	0.2
85.02973	0.1
87.00868	0.2
88.98814	0.2
89.02452	0.4
94.98106	0.4
95.05035	0.2
96.96011	2.7
96.96935	0.2
97.02980	0.1
101.02457	0.4
109.06586	0.3
112.98609	0.2
113.02496	0.2
123.00829	0.1
123.44246	0.1
125.02490	0.4
126.90464	0.2
129.10368	0.1
163.11224	0.2
169.01465	0.3
197.11790	0.2
207.10330	0.7
209.11842	1.1
211.13399	0.7
225.11314	0.9
227.12923	0.1
243.37955	0.1
365.10721	0.1
397.13577	0.6
401.23410	0.2
409.95569	0.1
415.14636	0.2
443.27954	0.1
443.34100	0.1
799.38416	0.4
817.38708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98829	100.0
62.98521	0.3
63.99257	0.6
71.01374	0.4
75.00888	0.2
78.95921	0.8
80.96534	0.7
89.02451	0.2
93.08972	0.2
97.02937	0.2
101.02477	0.2
116.92882	0.3
125.02460	0.3
140.01224	0.2
168.94641	0.2
169.01572	0.4
169.12392	0.2
171.10255	0.4
197.11823	0.4
207.10272	0.4
209.11870	0.5
211.13469	0.7
212.13663	0.2
253.09531	0.3
261.07867	0.2
262.54309	0.2
277.21814	0.2
291.19839	0.3
293.21262	0.6
295.23077	0.4
309.20914	0.2
313.73199	0.2
341.23288	0.5
758.08215	0.2
799.36890	0.3
816.49811	1.3
817.37543	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98547	0.2
75.00881	0.2
78.95913	0.2
87.30712	0.1
87.69932	0.1
94.16456	0.1
102.41986	0.1
132.01768	0.1
169.01433	0.2
197.11879	0.1
209.11894	0.2
224.13831	0.1
229.09735	0.2
262.85178	0.1
787.95959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	10.4
61.98830	100.0
69.02726	1.6
70.81573	2.3
70.81916	4.6
71.01382	7.7
72.99330	2.4
80.96523	12.9
81.03471	2.5
83.05037	3.9
87.00887	2.8
89.02453	3.7
94.98109	2.2
97.02927	3.4
101.02407	6.0
111.08112	3.8
125.02449	3.1
149.61331	2.1
163.11345	3.5
165.12846	2.1
197.11804	16.0
199.13477	4.2
207.10284	3.7
209.11829	64.5
210.12173	4.3
211.13370	8.4
225.00703	2.5
227.12849	10.4
235.08197	3.0
253.09312	10.9
291.19626	7.9
309.20651	30.0
310.21030	2.8
341.23163	2.7
397.13577	2.6
453.87439	2.2
496.07211	2.1
815.36621	5.7
815.50079	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	815.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.4
61.98818	5.3
69.42890	5.0
69.43307	2.9
71.01376	3.6
73.02954	1.7
75.00858	1.7
78.95900	15.8
79.95725	1.2
80.96488	3.3
83.05032	3.9
87.00867	1.2
88.98801	1.3
89.02433	1.8
93.82482	1.1
96.96938	3.2
101.02445	2.3
109.06604	1.2
129.66954	1.4
152.99556	4.0
156.29120	1.3
163.11232	2.0
165.02376	1.2
165.12669	1.3
171.10284	5.8
172.72336	1.1
199.09744	1.4
209.11819	100.0
210.12201	6.7
223.00131	1.4
225.11313	1.7
227.12845	11.3
235.08159	4.3
241.01176	7.8
253.09305	8.0
255.23273	8.3
277.21710	84.1
278.22052	8.7
445.20291	1.9
509.74054	1.3
553.27643	1.9
725.38800	4.6
779.39923	2.3
797.40570	13.0
798.41968	2.5
815.40387	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	815.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.0
61.98834	0.7
63.96241	2.1
69.03461	1.4
71.01383	11.2
71.49710	1.0
73.02956	1.2
78.95902	1.3
78.98595	8.4
79.95731	18.6
80.96516	100.0
81.03453	0.8
85.02953	3.2
87.00856	3.1
88.01163	0.7
94.98087	20.6
95.01366	0.8
96.95998	1.6
97.02937	2.0
99.00887	0.8
101.02441	3.5
106.98105	4.1
122.97587	5.0
125.02462	3.4
127.04026	0.9
134.97583	8.2
136.99150	2.0
146.97658	0.8
148.99146	6.5
149.99445	0.7
152.98627	7.6
164.72952	0.6
164.98615	14.2
196.89536	0.7
206.99649	3.4
225.00719	18.7
255.23233	2.4
276.13934	0.6
277.21921	1.4
440.74371	0.6
537.27142	1.2
559.25586	2.2
815.49835	85.7
816.50183	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.4
61.98838	1.0
63.96249	2.4
69.03458	0.6
70.71521	1.0
71.01385	10.0
72.99321	0.5
73.02951	2.4
78.95908	0.4
78.98595	7.3
79.95741	17.1
80.96519	100.0
81.03474	0.8
85.02957	3.9
87.00491	0.3
87.00893	4.0
94.98090	22.4
96.96005	1.6
97.02962	2.2
99.00880	0.5
101.02460	2.3
106.98090	4.4
122.97591	4.8
125.02447	4.1
126.06624	0.3
127.04019	0.9
134.97585	7.8
136.99124	1.7
141.01712	1.3
143.99141	0.6
146.97615	0.4
148.99142	7.9
152.97485	0.5
152.98640	7.6
152.99719	0.3
164.98630	14.3
167.90868	0.3
168.70828	0.3
179.00121	0.5
183.15666	0.4
192.35854	0.3
206.99716	3.1
225.00745	18.2
226.01108	0.7
239.20642	0.4
255.23250	1.5
267.99353	0.4
277.21732	1.0
283.05057	0.5
537.27454	0.9
559.25641	1.5
559.34070	0.4
584.38489	0.4
815.49847	85.3
816.50134	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	814.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.3
61.98833	100.0
62.98552	0.3
63.99266	0.3
65.32288	0.1
71.01388	0.3
72.99328	0.2
75.00875	0.5
76.41270	0.2
78.95918	0.4
80.96518	0.5
88.98812	0.1
90.25040	0.1
99.27085	0.2
121.41486	0.1
128.68628	0.1
133.19502	0.1
140.36018	0.2
151.07654	0.2
152.99596	0.2
157.08705	0.3
169.01480	0.1
171.10326	0.2
183.97768	0.1
209.11870	0.4
211.13454	0.4
253.09167	0.2
277.21835	0.6
278.22192	0.3
291.19696	0.2
299.82916	0.2
301.00110	0.3
357.01688	0.2
397.13544	0.2
631.96252	0.1
815.49500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.5
70.06112	3.5
71.01346	2.9
83.01389	1.6
85.02937	3.0
95.01387	3.3
97.02958	1.7
99.00895	1.2
101.02443	5.1
107.01400	9.4
111.00930	1.4
113.02438	5.4
123.00875	15.0
124.01677	2.7
125.02448	60.5
126.02782	2.5
136.98802	2.2
139.00371	5.8
140.01152	4.1
141.01910	1.9
151.00351	8.9
153.02014	1.4
161.02434	4.1
164.94008	1.2
165.01942	2.0
166.99864	2.0
167.03468	2.5
168.00653	4.6
169.01422	100.0
170.01750	3.7
179.03473	7.7
191.03459	3.0
193.01401	3.0
203.03554	2.1
209.04707	1.3
211.02399	1.1
221.00909	1.8
223.02599	1.4
229.04961	1.4
255.03096	1.9
257.04770	1.6
284.03278	1.4
285.04080	7.2
295.04550	3.1
300.99890	1.5
313.05643	35.3
314.05890	3.5
387.78519	1.2
421.07825	7.2
440.77252	1.5
465.06744	91.3
466.07101	9.7
583.91724	1.2
599.10010	3.0
631.25299	1.2
751.11371	19.9
752.12024	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	814.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74225	0.1
59.01369	0.3
61.98829	100.0
62.98536	0.2
71.01392	0.3
75.00876	0.1
78.95914	0.2
79.95731	0.1
80.96506	0.6
89.02464	0.1
101.02427	0.2
113.02518	0.1
116.92880	0.2
141.17009	0.1
167.34879	0.1
169.01508	0.1
197.11859	0.2
206.10364	0.1
207.10054	0.2
209.11844	0.4
211.13504	0.2
225.00743	0.1
227.12852	0.2
291.19882	0.2
307.19135	0.2
309.20737	0.2
313.64767	0.1
539.58405	0.1
550.06738	0.1
559.19037	0.1
814.47534	0.1
815.37500	0.2
815.51831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50734	0.1
58.72702	0.1
59.01374	0.3
61.98829	100.0
62.98548	0.3
71.01394	0.1
75.00877	0.1
78.95911	0.2
80.96517	0.3
85.02940	0.1
116.92822	0.2
125.02468	0.1
169.01511	0.2
170.18898	0.1
197.11809	0.5
199.13470	0.2
209.11885	0.3
211.13510	0.3
220.91467	0.1
223.13351	0.2
227.12962	0.1
274.65463	0.1
278.21478	0.1
289.18271	0.1
309.20688	0.2
310.21259	0.1
529.38806	0.1
815.50330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01382	3.1
59.42982	0.2
61.98829	100.0
71.01387	1.2
71.50163	0.3
72.99297	0.4
73.02976	0.4
75.00860	0.3
78.95902	0.9
80.02661	0.3
83.01392	0.3
83.05019	1.7
85.02994	0.3
89.02455	0.8
96.95999	0.4
97.06603	0.7
97.63284	0.3
99.00877	0.3
101.02420	1.4
109.06576	0.6
113.02454	0.4
123.34576	0.3
125.02468	0.6
125.09715	0.8
135.08177	0.4
151.11293	0.5
152.99562	0.4
161.04630	0.4
163.11264	1.8
164.11606	0.4
165.12851	1.0
169.01411	0.4
171.10349	0.6
181.12398	0.6
185.11885	0.6
191.10767	0.6
191.14404	0.8
197.11867	0.8
199.13391	0.3
207.10254	1.5
208.10680	0.5
209.11821	29.7
210.12184	1.7
211.13370	0.8
225.11319	1.9
226.11806	0.7
227.12877	4.2
235.08263	1.0
245.19130	1.0
253.09355	2.2
263.00342	0.3
263.20090	0.7
271.17151	0.6
280.01480	0.3
289.18085	5.3
290.18610	0.7
291.19360	0.4
307.19144	6.3
308.19562	0.9
309.20633	0.5
350.17722	0.3
461.19638	0.3
543.28430	0.6
635.72906	0.3
637.32294	0.5
753.41650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.3
60.99306	18.6
61.98836	2.0
63.89994	0.4
69.17123	0.3
70.09523	1.4
73.02962	0.3
73.23526	0.3
78.95907	1.5
81.75536	0.3
87.00864	1.3
88.00395	2.5
88.98804	100.0
89.02443	14.0
89.99152	1.3
90.37811	0.3
152.99619	0.4
155.20131	0.3
187.69557	0.3
198.60010	0.3
209.11801	1.8
234.50429	0.3
237.03169	0.3
241.01201	0.6
255.23369	0.5
268.11783	0.3
277.21753	2.0
435.66382	0.4
509.46530	0.3
537.76123	0.3
795.39734	1.0
813.42902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.3
60.99310	20.2
61.98831	1.8
71.50616	0.6
72.99332	0.4
78.95918	1.6
87.00890	1.3
88.00399	1.8
88.98810	100.0
89.02448	10.0
89.99135	1.0
100.65106	0.3
103.65322	0.3
152.99661	0.4
209.11832	2.0
255.23276	0.7
277.21762	1.5
288.91373	0.4
434.67328	0.3
524.85333	0.3
689.24493	0.4
780.54144	0.4
795.39648	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
61.98829	1.8
71.01381	1.8
78.95905	72.0
78.98589	1.4
79.95731	3.8
80.02679	1.4
80.96517	16.6
81.03453	2.2
83.05034	6.9
84.73681	0.9
94.98096	5.1
96.96970	15.0
98.19853	2.2
103.47630	0.9
106.98096	0.9
125.02441	1.7
125.47133	1.1
134.97595	1.2
148.99136	1.9
152.98605	2.0
152.99628	15.8
163.11302	5.2
164.98595	3.3
165.12852	3.2
191.10622	1.2
208.26314	0.9
209.11824	63.9
210.12187	3.4
223.00133	4.0
225.00708	3.6
227.12843	4.2
240.98727	1.7
241.01175	27.7
242.01579	1.1
245.40164	1.0
253.21719	1.3
255.23286	42.8
256.23654	5.0
259.02222	2.2
270.63217	1.1
319.28009	0.9
391.22498	2.9
395.14926	1.1
410.82434	1.0
468.32507	1.1
477.69870	1.1
525.17322	1.0
553.27832	3.2
643.24750	1.1
709.38275	10.9
710.38623	3.4
781.41113	4.9
782.42126	1.3
795.41290	1.4
813.43988	100.0
814.44324	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59615	27.2
60.27858	24.5
61.98808	40.1
68.02460	27.1
69.83838	100.0
69.84254	56.1
78.95895	45.8
95.04806	36.4
197.15150	28.1
277.21768	49.7
295.11664	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62291	0.3
59.01362	0.6
60.99308	20.0
61.98827	4.5
65.81911	0.3
69.47874	0.3
71.01389	0.9
71.43526	0.3
72.99311	1.5
82.61887	0.2
82.91942	0.3
85.03157	0.3
87.00895	0.9
88.00401	1.0
88.98808	100.0
89.02444	2.1
89.99142	1.1
98.20699	0.4
105.01950	1.0
107.01392	0.4
116.92858	1.1
123.00862	0.5
125.02499	1.5
137.02440	0.3
150.18040	0.3
169.01433	1.8
207.24474	0.3
209.11800	1.6
210.12137	0.4
211.13300	0.5
225.11348	0.4
253.09344	0.3
300.99893	0.6
464.50510	0.3
811.36768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	0.1
61.98833	100.0
62.98518	0.1
71.49623	0.1
71.50014	0.2
72.99313	0.2
78.95897	0.1
88.85825	0.1
101.82965	0.1
113.02589	0.1
125.02449	0.1
209.11929	0.2
223.13499	0.2
224.13809	0.2
277.21729	0.2
309.20825	0.1
385.64383	0.1
444.62720	0.1
450.79422	0.1
801.41077	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	809.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71670	1.4
57.03434	2.3
59.01377	28.4
61.15982	1.3
61.98829	21.6
69.03449	3.2
71.01375	11.2
71.05011	1.6
73.02944	1.7
77.72952	1.5
78.95908	6.0
83.01467	1.7
83.05015	2.1
85.02915	1.8
87.00861	3.1
88.54662	1.5
89.02453	4.3
89.80486	1.2
97.06578	5.1
101.02431	4.9
108.93990	1.6
109.06588	3.0
111.08144	2.7
113.02429	2.8
118.92072	1.5
121.02937	2.1
125.02460	1.8
145.05185	1.4
149.09631	2.0
149.85464	1.4
151.11246	3.4
152.99576	1.9
161.42976	1.6
165.12859	4.4
167.10753	3.8
167.28310	1.4
171.10287	5.4
177.12761	2.0
179.05571	2.0
179.10759	2.2
179.14409	5.1
181.12369	5.3
183.13800	1.7
191.10793	2.0
195.13882	12.2
205.12296	10.8
207.10223	2.3
209.11807	18.2
211.13423	2.1
223.13388	100.0
224.13718	6.6
225.11272	2.3
227.12868	3.6
235.08174	5.0
237.14972	1.8
239.55724	1.7
245.19138	7.0
251.19836	1.7
253.09230	11.1
255.23265	3.3
263.20132	7.3
277.21732	4.4
289.18051	13.0
307.19147	39.2
308.19467	4.6
311.89676	1.6
445.20895	7.6
459.22415	6.8
543.27740	8.7
544.28003	2.0
595.30920	2.0
651.33545	2.6
741.15350	1.6
749.41534	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	809.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.6
59.01378	21.0
61.98828	8.6
69.03445	2.5
71.01376	7.5
72.99298	0.9
73.02946	0.8
78.70247	0.7
78.95868	1.7
81.03465	1.5
83.01385	1.2
83.05012	1.2
85.02953	1.2
87.00874	1.9
89.02440	3.7
95.05016	1.2
97.02937	1.4
97.06593	1.7
98.19831	1.0
100.50912	0.7
101.02454	4.1
109.06590	1.4
111.08227	0.6
113.02435	2.8
117.44017	0.8
119.03507	1.1
123.04485	1.3
123.08116	0.8
125.02415	1.0
125.09740	2.6
137.09752	1.6
139.07646	0.7
141.09193	1.0
145.05054	0.9
152.99538	0.9
161.04532	2.0
163.11281	3.4
165.12807	1.2
167.10774	2.9
171.10283	1.5
177.12790	1.5
179.05621	0.7
179.10739	1.9
179.14375	4.1
181.12315	1.3
185.11833	4.8
191.10777	0.7
191.14395	2.7
195.13887	11.3
197.11760	1.2
199.09807	0.8
205.12335	9.9
207.10255	1.9
209.11824	9.5
211.13327	2.3
223.13380	100.0
224.13702	8.0
225.11292	2.2
235.08214	4.5
237.11258	1.2
245.19032	6.7
253.09271	11.8
254.09627	0.7
263.20093	1.0
271.17044	1.1
277.21762	1.3
287.86630	0.7
289.18085	31.1
290.18390	2.9
307.19138	30.4
308.19507	2.1
397.23901	1.0
415.24811	1.3
459.22342	8.2
460.22620	1.5
495.31091	1.3
513.32050	1.7
525.26984	1.4
633.32837	5.4
634.33411	1.7
651.33673	2.2
713.39453	1.4
749.41028	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	807.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.6
57.54928	0.3
58.00602	0.9
58.58751	0.4
59.01072	0.5
59.01377	15.4
61.98829	15.7
69.03467	1.1
69.77303	1.0
69.77692	0.7
71.01380	18.3
72.99287	1.7
73.02947	2.8
75.00869	0.5
77.74266	0.3
78.95891	1.7
79.95732	0.6
80.96522	3.6
81.03447	0.7
83.01387	2.1
85.02943	4.3
87.00874	5.5
87.01382	0.4
88.98811	0.9
89.02441	13.4
90.02831	0.4
90.60748	0.3
94.98088	1.1
95.01395	1.5
97.02940	2.7
98.20567	0.5
99.00878	0.8
101.02443	12.4
102.02844	0.5
103.22036	0.3
109.02987	0.5
111.00915	0.5
111.04536	0.4
112.98597	0.4
113.02449	7.7
115.03957	0.7
119.03491	3.8
121.02948	0.4
125.02445	8.2
125.09709	0.8
127.11278	2.2
131.03514	0.6
133.05103	0.6
139.04021	0.8
143.03488	3.0
147.69827	0.3
152.99661	0.5
153.09244	0.8
161.04584	4.2
164.98640	0.4
171.10262	100.0
172.10591	5.2
179.05580	2.9
181.05025	0.4
181.96117	0.3
195.13901	0.6
199.06107	0.7
201.04082	0.4
203.05598	0.4
209.11844	0.4
213.11302	0.8
217.07207	1.3
221.06592	1.2
225.00745	0.7
235.08203	6.9
253.09293	1.5
255.23276	65.2
256.23627	6.6
259.08276	0.9
269.24805	0.6
287.07608	2.5
293.21204	2.2
295.22827	2.8
296.22678	0.4
297.24118	0.7
305.08789	2.3
323.09674	1.3
361.11111	0.7
379.12427	12.1
380.12799	1.1
397.13480	38.9
398.13895	3.5
415.14508	7.5
416.15192	0.6
501.65958	0.4
551.23492	0.8
569.24091	1.2
635.36542	0.4
653.37677	1.6
738.21918	0.4
807.42120	4.3
808.41888	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	1.8
69.03448	1.3
70.51150	1.4
70.51516	1.2
71.01379	5.2
83.01385	0.9
85.02924	1.1
87.00873	8.8
89.02436	1.0
95.01392	1.0
97.02916	1.3
97.89760	0.6
100.46324	0.6
101.02435	2.3
107.01361	3.0
108.02199	6.5
109.02947	1.7
111.00866	1.0
113.02448	2.5
123.00875	6.4
125.02442	39.0
126.02763	1.4
137.02409	1.8
139.00342	2.2
140.01183	1.2
141.01868	0.9
151.00377	5.9
151.04016	0.8
152.01125	5.5
153.01913	2.5
161.02396	0.9
165.01883	1.3
168.00662	3.2
169.01424	47.7
170.01735	2.6
177.01894	1.3
179.03456	2.9
196.36931	0.6
205.01425	1.1
211.02513	6.9
223.02448	4.5
239.02029	1.3
241.03510	2.4
271.04565	10.5
283.04578	5.3
313.05637	42.6
314.06119	3.0
315.07205	4.6
331.06607	3.8
373.07678	0.7
493.11963	100.0
494.12305	15.8
531.62402	0.6
559.59192	0.7
695.88593	0.6
704.25104	0.7
803.10645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.2
61.98822	13.7
64.12730	1.8
70.09190	1.8
71.01382	6.0
73.23306	1.7
80.02666	1.9
83.05020	4.1
84.12817	2.2
85.02944	2.5
87.00897	2.3
88.98812	9.5
89.02471	4.1
91.11098	1.9
99.92568	2.3
101.02413	2.7
105.01942	5.2
116.92866	12.7
123.00893	1.8
125.02454	6.9
161.04643	3.0
169.01393	8.4
171.10284	5.8
183.93918	1.9
201.11331	2.2
209.11832	100.0
210.12125	8.5
211.13423	8.5
215.58182	2.0
221.11830	2.5
227.12912	25.9
229.14380	3.6
235.08212	17.6
253.09294	30.0
291.19589	3.0
306.55481	2.1
309.20630	12.9
314.52460	2.0
327.21777	80.2
328.22037	9.8
395.26691	2.3
445.20862	10.5
463.21774	2.8
545.29724	6.1
560.17389	2.3
563.30737	9.6
611.15302	2.3
643.74261	2.3
773.42987	3.1
809.41193	27.7
810.41705	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	809.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.8
61.98835	60.8
71.01373	11.6
71.50787	7.6
75.00868	12.3
78.95912	10.7
88.98832	10.1
89.02460	6.3
99.92590	6.3
101.02447	10.2
103.00379	14.0
111.08150	6.0
116.92860	52.2
117.92891	11.1
125.02467	17.0
139.00414	6.8
163.11246	6.9
163.48851	4.2
169.01437	15.4
171.10286	14.0
172.45602	4.3
183.13847	4.5
197.11798	42.3
199.13406	12.9
201.11327	50.0
207.10240	11.9
209.11838	100.0
210.12238	10.3
211.13391	12.8
225.11314	11.1
227.12889	51.3
235.08180	15.2
253.09264	40.7
291.19757	17.5
300.99658	7.2
309.20703	89.2
310.21097	6.6
433.66217	5.8
437.20236	12.0
445.20813	10.8
463.21899	15.2
527.27954	8.4
545.29712	9.9
553.17456	5.4
701.35333	5.2
755.42096	13.5
809.40344	34.5
810.41089	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	807.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	11.2
61.98830	77.1
62.01843	6.7
69.65485	9.6
69.65894	28.6
71.01385	63.5
71.24966	6.1
73.02934	8.7
75.00896	5.6
78.95905	81.3
83.05051	6.9
87.00851	9.8
89.02419	14.2
91.73837	6.8
95.54223	6.6
97.02932	10.0
98.19937	5.9
101.02445	17.5
109.06568	47.7
125.02410	12.4
132.63261	6.3
152.99583	24.2
163.11266	21.7
164.77556	6.4
169.01370	8.8
171.10265	34.2
185.11794	9.2
195.13925	8.1
197.11798	14.1
204.13638	6.2
207.10303	100.0
208.10580	13.2
209.11880	37.7
211.13417	32.0
223.09781	29.1
223.13341	7.7
225.11345	64.1
227.12836	7.4
235.08252	12.6
241.10722	6.7
253.09221	26.1
289.18185	9.9
291.19681	66.8
293.21201	22.5
305.17673	7.8
309.20679	18.4
330.14685	6.4
447.22446	8.3
461.20016	16.9
544.90295	7.7
615.54071	6.8
807.43188	18.6
808.40393	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	807.431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	11.8
61.98541	6.9
61.98833	100.0
62.44268	3.9
63.99238	7.0
68.11880	3.9
71.01399	21.0
72.17103	4.3
73.08419	3.6
78.95904	54.5
89.02434	4.4
95.80692	4.4
96.96016	4.3
99.41584	4.0
100.83277	4.4
106.15347	4.2
109.06623	7.9
125.02419	4.6
152.99561	17.2
163.11249	6.1
169.01402	9.5
171.10239	18.1
197.11818	15.1
199.09491	4.9
207.10245	18.0
209.11795	17.2
211.13422	33.5
212.13647	6.0
225.11296	18.0
227.12915	5.9
253.09294	8.4
291.19577	14.9
309.20654	16.5
329.23193	5.9
349.07651	3.9
396.05420	4.6
461.20822	4.4
465.22501	10.1
631.82538	4.2
730.39825	4.8
807.42969	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	807.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	10.5
59.68048	6.1
61.98832	100.0
71.01388	8.3
78.95892	35.2
80.91689	7.7
89.02448	7.2
94.82836	6.1
98.79726	5.8
115.50600	5.8
125.02396	8.2
139.16000	7.3
152.99600	10.1
169.01442	8.9
171.10248	14.0
181.12376	6.8
194.15239	5.9
197.11838	11.2
199.11790	6.7
207.10281	11.5
209.11838	62.8
211.13513	12.5
223.13466	7.3
225.11337	18.3
227.12956	8.6
235.08060	6.3
247.16896	6.7
253.09297	26.6
289.18085	10.8
291.19458	12.3
293.21216	55.6
294.21671	7.5
309.20721	8.4
467.18088	7.3
691.31305	7.4
807.42804	28.1
808.43396	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	807.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	13.4
61.98833	42.3
70.04594	4.4
71.01382	16.7
78.95933	5.1
81.03393	4.1
87.00858	4.0
87.04473	3.5
88.98824	22.6
89.02437	10.5
93.17681	3.5
95.01359	6.4
96.96023	11.4
97.02991	7.7
99.92600	12.9
101.02433	8.4
109.06607	12.2
111.79570	4.1
116.92864	100.0
117.92887	10.8
123.00889	5.2
125.02444	11.6
163.11304	8.6
169.01414	14.8
171.10277	25.8
197.11810	12.0
201.11365	13.8
207.10255	36.0
209.11818	90.1
210.12189	8.4
211.13403	13.1
225.11311	17.8
227.12839	23.7
235.08215	12.7
253.09254	27.5
289.18045	6.0
305.43359	4.3
309.20691	14.7
311.86069	4.5
325.20151	34.2
327.21777	37.9
328.22018	5.8
340.18997	4.1
343.24921	5.1
397.13641	5.9
445.20609	4.4
468.54730	6.2
753.40588	5.5
771.41455	20.3
772.41443	5.6
807.39154	34.1
808.40112	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	807.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	12.2
61.98834	62.0
71.01380	21.7
72.77589	2.2
78.95901	11.6
80.96525	9.0
85.02988	3.2
86.38850	2.4
87.00853	3.0
89.02440	5.8
97.02969	3.7
99.00883	11.3
101.02451	12.8
109.06584	9.6
113.02441	4.2
124.06873	2.8
125.02419	8.8
125.09740	4.3
126.02750	2.7
152.99617	5.7
161.04660	3.3
163.11249	12.5
168.63002	2.9
169.01451	5.9
171.10277	33.5
181.12328	16.7
197.11855	3.8
199.13344	14.3
207.10242	49.1
208.10571	5.4
209.11861	5.9
225.09244	4.2
225.11325	49.2
226.11731	4.0
232.06863	2.6
235.08189	8.3
243.12395	15.0
251.73497	2.4
253.09282	11.0
255.23256	18.0
277.21716	100.0
278.22083	9.7
279.19647	6.6
293.21457	3.3
397.13525	10.6
450.29147	2.8
461.20166	11.1
479.21146	9.9
655.18280	4.5
721.41089	17.5
722.42084	5.5
739.42676	36.4
740.43060	11.6
771.44867	12.5
807.42358	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	807.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	2.9
59.71796	1.3
62.51340	1.3
65.00338	1.6
67.01860	1.7
69.03470	1.8
69.93776	5.1
79.01882	1.9
83.01405	3.4
95.01364	6.5
97.02989	2.2
99.00938	1.6
106.63685	1.4
107.01429	1.8
109.02964	2.5
111.00917	3.0
123.00911	3.0
125.02459	69.4
126.02803	3.2
133.03001	2.0
134.44995	1.5
136.98828	1.4
137.02443	6.9
139.00357	4.4
145.02921	3.4
147.04488	1.5
154.99896	3.4
161.02589	1.8
163.00381	15.4
163.04008	2.1
164.98360	3.2
165.01956	8.3
166.99817	3.2
169.01434	100.0
170.01750	5.3
173.02486	3.2
175.02554	1.4
177.01953	1.5
178.99750	1.6
185.02443	3.5
187.03908	1.5
189.01956	2.9
190.99869	8.7
201.01924	3.2
203.03545	1.8
205.01454	2.7
206.99426	2.0
208.00189	3.0
209.00914	21.2
210.01369	1.5
216.00723	2.2
217.01392	5.7
218.02083	1.6
229.01459	8.5
231.02985	1.6
243.02986	2.5
245.00945	8.0
247.02573	2.3
257.00870	5.2
270.98981	3.0
271.99762	1.5
273.00415	10.0
274.00998	3.1
275.01996	8.7
283.99564	2.0
285.00305	3.2
298.98352	2.7
299.99091	21.6
300.99899	99.6
302.00272	10.0
313.00046	2.5
315.01440	4.6
331.06741	1.8
335.04141	3.1
343.01096	6.3
353.05029	8.6
445.04019	3.6
447.05801	5.0
461.03809	6.5
463.05231	59.4
463.11780	2.9
464.05472	5.8
475.05087	15.4
476.05591	1.9
491.05197	3.4
493.06308	4.6
501.03220	4.3
505.06125	2.7
523.07288	8.4
524.07922	1.6
550.23474	1.5
575.96381	2.0
593.07825	2.6
613.04968	4.3
633.07758	3.4
689.06042	2.9
730.40173	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	807.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.3
65.00327	2.0
67.01891	2.0
69.03460	3.1
71.01384	2.9
71.50610	0.7
71.63771	0.6
73.02905	0.7
78.95930	0.7
79.01893	1.3
81.03444	1.0
83.01397	4.2
85.02948	2.4
89.02467	0.7
91.01897	1.3
92.99833	0.8
93.03472	1.5
95.01383	7.1
97.02948	2.6
99.00879	1.3
101.02446	1.9
102.83212	0.7
105.03488	1.1
107.01395	1.9
108.02196	1.1
108.05850	0.7
109.02956	3.0
111.00868	4.3
111.22835	0.6
113.02446	1.3
116.64800	0.5
117.03462	1.6
119.05028	2.5
121.02934	0.6
123.00898	3.4
124.01682	1.1
125.02447	74.2
126.02770	3.0
129.03418	0.6
133.02946	1.3
135.04541	0.8
136.98801	0.9
137.02470	5.6
139.00371	5.1
141.02139	0.7
141.29497	0.7
142.33357	0.7
145.02937	3.5
147.00967	1.0
147.04588	1.0
149.02420	1.4
151.00363	1.4
151.11575	0.7
153.01881	0.8
154.99873	4.5
157.01472	1.5
157.02907	0.9
159.04578	0.9
161.02449	2.6
163.00374	17.3
163.04037	4.2
164.01111	1.5
164.98302	2.8
165.01935	10.7
165.09206	2.3
166.99821	3.1
169.01419	98.7
170.01779	3.0
171.04381	0.9
173.02359	3.2
175.02516	0.9
175.03979	1.4
177.01923	1.9
177.73500	0.7
178.99832	2.2
185.02364	3.2
189.01907	3.4
190.99867	8.9
191.03474	1.7
191.05588	0.8
191.07236	1.2
192.00589	0.8
193.01405	2.7
199.03951	0.7
201.01962	3.7
203.03473	2.1
205.01414	0.9
206.99336	2.1
208.00082	3.1
209.00896	19.3
209.08142	7.2
210.08479	0.8
213.01909	2.3
216.00577	1.5
217.01418	4.9
219.02827	0.9
226.99785	0.9
229.01421	7.0
230.02142	0.9
231.03021	1.2
233.00885	1.2
241.01439	1.1
242.99321	1.1
243.03015	2.3
245.00882	9.7
247.02467	1.7
251.01962	1.7
257.00839	3.3
258.01587	1.5
259.02356	1.8
261.00327	1.5
269.01071	0.9
270.98819	1.6
271.02237	0.9
273.00357	11.1
274.00964	3.2
275.01974	10.3
283.01138	0.9
283.99640	2.9
285.00363	2.6
287.01938	2.4
297.00351	1.0
298.98392	3.1
299.01590	0.8
299.99088	23.0
300.99875	100.0
302.00165	7.8
312.99915	2.0
313.05679	1.6
314.00659	1.9
315.01517	4.3
315.04907	1.0
316.99130	1.2
331.06790	2.2
335.04092	3.3
343.00864	6.2
349.18713	1.9
353.05133	10.8
354.05579	1.0
371.13449	5.0
391.19662	5.5
424.09283	1.0
433.04227	1.9
437.07404	2.4
445.04001	2.9
447.05688	5.5
453.06747	1.4
461.03448	6.3
463.05157	56.5
464.05612	6.5
465.06769	1.3
475.05243	15.0
476.05322	1.7
491.04526	1.9
493.06104	3.0
501.03302	3.1
505.06189	2.5
519.04034	1.6
523.07312	6.0
565.20740	0.8
569.05347	0.9
587.06580	0.8
593.07813	2.0
609.07355	0.9
612.87823	0.8
613.04578	2.2
629.04858	0.7
631.05908	2.5
633.07233	4.5
634.07489	0.7
637.06744	1.1
645.07300	1.5
661.07184	0.9
671.05701	3.2
689.06207	1.3
789.09393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.3
59.01378	3.3
61.98828	6.5
69.03454	0.2
71.01378	2.5
73.02967	0.4
78.95890	0.6
79.95717	0.2
80.96507	0.8
82.95414	0.6
83.01389	0.2
83.04995	0.2
85.02940	0.6
85.06586	0.2
87.00869	0.5
89.02441	2.1
95.01393	0.3
97.06590	0.2
101.02434	2.3
102.03242	0.1
111.08174	0.4
113.02432	1.2
113.09711	0.3
119.03485	0.7
131.03531	0.3
143.03557	0.2
143.97577	0.1
147.50955	0.1
149.09822	0.1
152.99612	0.2
160.68301	0.2
161.04544	1.3
164.98630	0.2
167.10704	0.3
169.12396	0.2
171.10237	0.6
176.28314	0.1
177.12828	0.3
179.05630	0.5
179.14349	0.7
181.12358	0.2
195.13895	8.4
196.14432	0.6
205.12296	0.7
205.16013	0.4
211.13414	0.4
223.13374	5.9
224.13684	0.4
225.00745	0.2
228.13599	0.7
231.21083	0.3
235.08264	0.8
239.12839	0.1
249.22287	0.3
253.09267	15.8
254.09566	0.9
256.13217	1.4
265.21832	0.3
275.20148	5.9
276.20398	0.4
277.21585	0.3
279.23761	0.2
291.19693	0.2
293.21207	100.0
294.21542	10.3
327.46146	0.2
342.10849	0.2
415.22540	0.2
451.98868	0.2
492.21997	0.5
529.30249	0.6
569.42157	1.2
570.42517	0.4
731.35950	0.2
805.40454	0.5
806.41766	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98808	1.5
62.76219	1.2
66.69199	1.5
68.75986	1.3
69.03454	2.3
69.35725	7.1
69.36137	3.1
69.44253	1.2
78.95905	80.8
80.96511	5.0
83.94172	1.5
84.02177	8.2
86.13644	1.3
86.21274	1.2
96.96963	6.6
97.02905	2.7
97.06583	11.9
98.20666	2.2
99.04508	3.2
110.98562	1.8
125.09692	2.1
145.36578	1.2
150.98051	1.8
152.99597	97.2
158.10393	1.2
165.12932	1.6
165.63406	1.2
171.00639	9.3
171.10291	29.4
172.10545	1.8
193.12309	13.8
199.09689	3.4
207.10400	3.0
209.11806	3.7
211.13315	3.6
225.11366	2.5
225.14972	21.8
227.03287	6.6
235.48752	1.4
243.15970	11.1
245.04385	1.8
253.14352	2.4
253.21732	31.4
253.24446	2.2
254.22073	3.0
255.23326	4.7
291.19632	3.1
341.23328	41.1
342.23618	4.0
455.16977	2.5
471.16248	3.2
477.22623	8.4
483.27512	2.7
551.26221	5.1
567.83441	1.6
569.27338	100.0
570.27716	13.2
707.38007	6.1
805.48694	81.9
806.49243	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
58.00593	0.5
59.01382	5.6
61.98539	0.6
61.98835	7.0
65.66844	0.4
69.03439	0.4
70.64581	0.4
70.64904	0.8
71.01387	4.8
72.99316	0.5
73.02942	1.6
78.95901	1.0
79.86730	0.3
80.96508	1.0
83.01414	0.8
83.05042	0.6
85.02963	1.5
86.37763	0.3
87.00885	0.6
89.02432	3.4
94.98084	0.4
95.01395	0.5
97.02940	0.4
101.02458	3.9
111.08154	5.7
113.02456	2.7
115.04022	0.5
119.03499	0.7
125.02444	0.4
127.07635	0.9
133.05020	0.7
143.03549	0.4
145.05020	0.6
151.11259	0.5
151.37540	0.4
152.99596	0.7
153.12851	0.4
161.04591	2.5
169.12343	3.4
179.05605	0.6
180.47612	0.3
181.12341	1.1
197.11838	39.0
198.12184	2.3
199.13432	2.6
209.11880	0.4
209.15445	0.5
211.13394	4.5
227.12894	1.0
235.08212	6.2
236.08574	0.4
253.09308	16.1
253.21675	0.4
254.09572	0.7
255.23213	0.9
263.20105	3.1
265.18039	0.8
273.18655	0.8
277.21725	100.0
278.22089	10.1
291.19662	18.9
292.20020	1.5
309.20724	39.8
310.21069	4.3
421.83221	0.4
433.20972	0.4
509.27179	0.4
527.28717	0.6
545.29578	0.6
805.42010	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.1
57.81003	1.0
58.00588	2.3
59.01381	10.8
61.87060	1.0
61.98829	13.4
68.99566	2.9
69.03450	1.6
69.24725	9.2
71.01382	14.8
71.05021	1.2
72.99309	1.5
73.02952	2.6
81.03481	2.3
83.01402	1.1
83.05032	4.5
84.02180	1.2
85.02966	4.4
87.00848	2.9
87.75835	1.0
88.98785	1.8
89.02444	6.2
95.05035	1.1
96.96014	17.6
97.02952	2.4
97.06603	3.0
98.95606	2.1
99.00860	2.8
99.92560	1.4
101.02462	6.5
109.06582	2.1
112.98560	2.8
113.02443	3.4
115.00372	1.0
116.92870	8.0
119.03532	1.2
125.02442	5.7
125.09727	1.1
133.01419	2.9
133.05074	1.4
143.03493	1.5
161.04492	2.9
163.11269	3.8
165.12839	1.3
169.01462	6.3
169.12335	3.0
171.10265	20.7
172.10620	2.6
175.83344	1.1
181.12384	1.3
183.13857	1.9
191.10779	1.3
193.12370	2.2
197.11841	10.6
198.12099	1.3
199.13353	2.7
201.11296	16.3
207.10272	3.9
209.11824	100.0
210.12239	6.8
211.13472	9.0
221.11623	1.8
225.11293	3.4
225.14986	3.6
227.12865	17.3
228.13190	1.9
229.14456	5.6
235.08243	10.8
253.09283	25.1
254.09547	1.5
259.15491	1.6
291.19730	3.4
309.20715	6.2
325.20142	1.9
325.53677	1.2
327.21756	40.0
328.22034	4.4
341.23312	21.4
342.23685	3.4
343.23837	1.5
397.13547	4.0
445.20935	2.1
461.20456	1.4
469.05304	1.4
545.29260	1.3
563.30835	4.0
805.39001	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.4
61.98837	3.1
69.36439	19.3
71.45394	2.5
78.95906	81.2
80.96532	14.2
81.25709	2.5
82.47456	3.2
94.98080	4.0
96.96951	6.2
109.06610	7.6
122.97600	7.8
127.11317	3.3
152.98398	6.7
152.99593	100.0
153.00830	6.1
163.11322	3.8
171.00647	16.6
171.10275	71.8
172.10640	3.6
190.72464	2.3
193.61766	2.5
197.11928	2.9
199.09779	18.1
201.11340	3.0
207.10269	11.8
209.02174	8.0
209.11852	20.0
210.12363	2.9
225.00690	3.4
225.11322	13.9
227.03297	8.7
227.12895	7.1
233.34457	2.6
253.21706	27.8
255.23239	12.1
394.28326	2.7
399.14197	18.7
409.12769	3.8
427.13599	7.7
453.15125	15.1
455.17001	20.5
471.16309	25.6
483.27219	5.3
483.34360	2.8
496.25394	3.0
547.63495	3.1
569.23584	14.2
635.35724	17.0
636.36017	3.4
707.37830	8.5
805.45410	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	805.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.3
59.71128	1.0
65.05980	1.1
71.01379	5.0
73.02964	1.5
78.95905	92.0
79.95723	2.8
80.02690	1.3
80.96523	5.9
83.05041	2.0
84.02179	1.0
94.98052	1.7
96.96971	6.5
97.06534	1.3
99.04507	1.1
109.06570	7.3
113.06101	2.6
115.07705	1.1
122.97563	3.5
125.09715	2.6
127.11297	2.2
132.69394	1.1
137.09698	1.3
141.09190	1.6
143.10748	2.3
150.97939	1.2
152.99590	100.0
153.09126	1.3
153.99945	1.9
155.10767	1.2
163.11249	4.0
165.12782	1.2
171.00632	14.2
171.10275	76.0
172.10596	3.8
181.12364	2.4
195.00723	1.1
196.60114	1.0
199.09760	21.4
199.13391	2.8
200.10034	1.0
201.11353	2.4
207.10254	10.6
208.10567	1.2
209.02177	6.8
209.11838	25.9
210.12137	1.5
211.03732	1.8
213.01634	1.4
215.12767	1.1
225.00882	2.2
225.11324	12.9
227.03284	9.6
227.12901	6.8
228.03450	0.9
235.17018	1.0
242.27246	1.1
244.69792	1.0
245.04280	4.2
253.21724	22.4
254.22060	3.0
255.23300	10.4
261.93784	1.0
269.04352	1.1
279.15964	1.3
287.05508	1.5
335.08893	1.0
359.11627	0.9
361.02615	1.0
361.10703	3.1
363.12115	2.5
371.14859	1.5
379.11563	2.7
381.13104	1.9
399.14200	17.4
400.14648	1.5
409.12518	2.2
427.13641	11.0
435.13785	1.0
437.15613	1.1
453.15250	15.8
454.15533	1.8
455.16840	17.0
456.17154	2.4
471.16394	21.9
472.16656	1.7
473.17941	1.4
483.27231	5.5
551.22449	1.1
569.23401	12.7
635.35559	11.0
636.36035	1.8
663.35590	2.6
689.36182	2.6
691.38293	1.6
707.37622	5.2
751.85992	1.3
805.45337	8.4
806.45813	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	805.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	3.0
59.01380	21.8
61.40760	2.5
61.98832	67.5
68.15842	2.2
69.03443	5.5
71.01382	100.0
72.02122	2.1
73.02948	4.9
78.95911	5.3
83.01381	5.7
83.05029	5.6
85.02938	5.5
87.00879	8.7
88.98807	7.0
89.02442	12.6
96.96031	3.0
97.02950	8.6
97.06590	5.7
101.02467	13.5
109.06575	9.0
112.98596	3.2
113.02464	7.3
116.92862	26.1
125.02440	5.4
125.09711	13.8
127.11266	3.3
137.09720	6.1
145.05090	3.9
161.04507	4.9
163.11275	6.1
165.12790	3.0
169.01404	6.4
171.10266	67.3
172.10565	4.0
179.05635	2.6
179.10828	2.7
181.12343	5.2
183.13943	5.2
185.11772	7.5
187.09758	10.2
191.14340	2.8
195.13834	3.4
197.11853	30.1
198.12270	2.9
199.09633	3.4
201.11333	16.9
207.10251	21.6
209.11813	37.3
210.12152	3.2
211.13382	33.6
212.13754	17.0
213.13985	4.9
223.09782	5.9
223.13354	23.9
225.11288	21.6
225.15038	3.1
227.12860	6.7
229.14291	2.7
235.08264	10.8
241.14494	3.6
245.19110	5.2
253.09283	23.2
272.61896	2.4
289.18109	28.3
291.19711	7.0
307.19147	10.1
309.20602	10.8
310.21378	3.6
327.21680	21.3
328.22223	3.0
341.23447	2.8
343.24887	8.0
397.13577	5.5
398.13852	3.2
407.47891	2.2
415.14505	2.8
459.22409	6.5
461.20367	3.3
545.29858	3.7
575.81470	2.7
751.38513	2.6
769.40887	27.4
770.40985	5.2
805.39905	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	805.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
58.00582	1.0
59.01380	100.0
60.01715	1.3
61.82600	0.7
61.98815	1.0
63.77962	0.6
69.03455	1.5
69.54501	4.0
71.01385	38.7
72.99306	1.2
73.02947	48.6
74.03303	0.9
75.00883	0.9
79.35030	0.7
79.38013	0.7
83.01389	14.8
85.02950	7.9
85.52412	0.6
87.00903	1.8
89.02444	9.8
95.01411	1.5
97.02960	0.9
99.00917	1.2
101.02445	49.6
102.02816	1.6
113.02455	19.9
119.03506	5.6
125.02476	4.6
131.03511	4.6
138.06889	1.3
143.03531	5.1
149.04568	11.1
153.09216	4.7
155.03488	1.5
159.03101	0.7
161.04546	23.4
169.01474	2.5
191.05693	1.1
203.05602	3.1
221.06679	7.6
225.14964	5.1
229.25578	0.7
247.13477	0.8
267.70526	0.6
301.00015	0.8
339.60303	0.7
367.54568	0.7
373.18777	2.1
387.20370	3.2
516.90771	0.7
829.01471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	0.5
58.00601	0.7
59.01381	19.7
61.01986	0.4
61.98828	5.6
68.99557	2.9
69.03459	2.0
70.05742	0.4
71.01384	15.5
72.99332	1.2
73.02945	2.4
75.00905	0.6
78.95928	1.0
80.02719	0.9
81.03465	2.2
82.95415	2.2
83.01405	2.0
83.05032	5.0
83.17344	0.4
84.02199	1.2
85.02956	3.8
87.00865	4.2
89.02445	12.7
95.01417	1.6
95.05060	0.7
96.96015	6.5
96.96992	0.7
97.02942	2.7
98.20782	0.8
99.00918	1.2
101.02440	11.3
111.00896	0.5
112.98582	2.8
113.02446	6.2
114.93446	1.8
116.92882	1.0
119.03482	3.7
123.00867	1.0
125.02451	8.4
125.06150	0.4
125.09745	0.7
131.03555	0.6
135.08202	0.5
139.00414	0.4
139.04050	0.8
141.01996	0.6
143.03491	2.4
149.04492	0.6
151.11234	0.6
153.09276	0.6
153.12766	0.8
154.74615	0.4
161.04575	3.2
163.11311	4.1
165.12814	2.7
169.01422	2.7
169.12332	6.0
170.12753	0.5
171.10312	2.4
179.05594	4.8
179.10760	0.9
181.12358	0.9
185.11710	0.5
191.10732	0.8
197.11826	81.6
198.12131	5.0
199.06142	0.6
199.13356	1.2
201.11334	1.7
207.10287	0.8
209.11819	100.0
210.12178	6.6
211.13364	1.3
217.07217	0.8
221.06613	1.5
223.13382	0.7
225.11247	0.6
227.12880	16.1
228.13362	0.8
235.08253	4.9
235.13365	1.1
253.09264	1.8
259.08322	0.6
263.07462	0.6
287.07587	1.7
300.99957	0.7
305.08704	1.5
317.14148	0.4
323.09818	1.0
327.21674	0.6
371.21832	0.6
379.12476	6.0
380.12585	0.5
389.23517	0.7
397.13495	35.9
398.13806	3.2
415.08978	0.5
415.14542	10.7
416.14917	1.1
444.78851	0.4
577.24927	0.8
595.26251	2.9
596.04285	0.4
596.26190	0.8
607.25696	1.2
617.31995	0.4
769.35620	1.3
787.36951	1.0
805.38568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00613	1.5
59.01380	11.7
61.98832	20.3
68.99561	1.9
71.01372	14.5
71.51263	2.5
73.02945	4.2
78.95904	4.5
80.02689	1.7
83.05032	5.2
84.02143	1.5
85.02949	1.7
87.00893	5.2
89.02449	6.4
96.96011	24.5
97.02956	2.5
97.06613	5.1
99.00889	3.8
99.22601	1.6
99.92592	2.1
101.02467	5.6
107.11291	1.5
109.06599	7.6
112.98544	2.3
113.02428	3.4
116.92857	22.4
125.02440	6.6
125.09736	4.8
126.72952	1.6
127.11308	1.7
135.08185	1.8
137.09634	1.7
158.85388	1.6
161.04544	2.9
163.11298	8.7
169.01450	5.6
171.10286	20.8
171.89912	1.4
181.12302	3.0
183.13835	2.3
185.11855	2.6
193.12378	3.7
197.11853	7.3
199.13234	1.7
201.11319	26.9
207.10265	27.7
208.10619	2.6
209.11823	100.0
210.12131	6.0
211.13409	8.6
212.13800	3.0
225.11301	21.4
225.14969	5.0
226.11794	2.4
227.12872	20.0
235.08218	5.4
243.12340	3.3
243.16049	3.3
253.09286	26.1
283.32944	1.7
287.16464	2.9
305.17630	5.8
327.21683	2.1
341.23294	41.0
342.23633	7.0
343.24765	2.1
397.13528	3.6
399.21680	2.2
443.19067	2.2
445.20526	3.4
461.20117	5.0
462.20490	2.0
525.33850	1.9
533.35175	1.8
577.32721	3.4
635.30927	14.7
636.31311	2.5
653.31580	14.5
654.31805	3.4
671.32788	17.1
672.33411	9.0
733.38898	1.9
751.39850	4.0
805.37476	12.0
806.38574	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	805.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
66.21445	0.4
67.01913	0.6
71.01385	1.3
72.42329	0.4
78.57085	0.4
83.01414	0.7
85.02950	1.9
87.00892	0.9
92.89421	0.4
93.03439	1.8
95.01398	0.5
98.19878	1.1
101.02428	0.8
107.01385	3.8
111.00870	1.1
113.02438	1.2
119.05007	0.6
123.00911	5.6
123.04530	30.4
124.01681	0.5
124.04851	1.1
125.02449	25.2
126.02796	1.0
127.00428	0.4
129.48193	0.5
136.98811	0.7
137.06046	0.5
139.00389	2.0
140.01117	1.4
141.02058	0.5
149.02448	0.4
151.00386	3.8
152.54640	0.4
153.05576	43.4
154.05910	1.9
163.03989	0.9
168.00623	2.5
169.01424	41.7
170.01773	2.0
173.04570	1.0
183.74089	0.4
191.05620	6.1
192.05806	0.4
193.01268	0.4
202.20325	0.4
211.02428	2.9
229.53459	0.5
234.78717	0.4
241.03416	0.7
253.03505	0.8
271.04648	4.2
313.05652	19.5
314.06046	1.9
315.10806	0.8
331.06668	1.8
337.09253	1.1
379.84940	0.5
382.45462	0.4
417.14166	1.2
467.11938	100.0
468.12289	13.7
583.48999	0.5
631.38855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98832	100.0
62.98537	0.2
63.99270	0.2
71.01388	2.0
71.49855	0.3
78.95900	1.4
80.96523	0.7
89.02483	0.2
101.02438	0.3
105.18398	0.2
109.06600	0.2
109.60823	0.2
113.02486	0.2
117.65119	0.2
121.02978	0.2
125.02490	0.5
152.99644	0.5
163.11325	0.2
164.79062	0.2
169.01474	0.7
171.10318	0.8
172.82425	0.2
197.11855	0.4
201.11438	0.2
207.10274	0.7
209.11777	0.2
211.13455	0.3
223.13408	0.4
225.00809	0.2
225.11389	0.6
225.14771	0.2
227.12912	0.2
253.09352	0.4
293.21353	0.3
309.20520	0.2
341.23358	0.4
342.23767	0.6
397.13406	0.2
469.05707	0.3
469.55975	0.2
580.42401	0.2
804.38239	0.2
805.40314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.1
61.98830	100.0
62.98539	0.2
63.99250	0.3
71.01406	0.2
78.95908	0.1
80.96506	0.5
90.07910	0.1
130.32834	0.1
152.99725	0.1
164.98573	0.1
171.10292	0.2
176.34576	0.1
195.59695	0.1
207.93095	0.1
229.01985	0.1
343.25000	0.1
804.40338	0.4
805.39838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
59.01385	7.6
61.98833	100.0
62.98539	1.0
63.99239	1.2
66.72879	0.7
68.41689	0.7
69.03459	0.9
71.01385	67.0
73.02943	2.0
78.95905	11.7
79.81404	0.8
79.95745	1.1
80.96523	5.8
84.02172	3.0
85.02972	2.4
87.00903	1.6
89.02468	3.4
94.98060	2.1
95.05048	1.8
97.02953	3.8
97.06595	3.1
99.00892	1.6
101.02464	2.7
109.06573	7.4
110.98544	1.3
111.08173	0.9
113.02489	2.0
119.94023	0.8
121.06516	0.8
125.02416	1.0
125.09731	2.3
125.82661	0.8
127.11284	1.6
135.08246	1.0
138.75577	0.9
140.01228	2.1
145.04953	1.1
152.99590	2.7
155.10867	0.9
161.04623	1.0
163.11304	6.0
164.98668	1.4
169.01392	1.1
169.12317	1.9
171.10275	29.7
172.10690	1.9
179.10825	1.5
181.12346	3.5
183.13850	0.9
185.11853	1.5
185.44669	0.8
187.09636	1.0
189.09212	1.0
193.12361	5.7
197.11847	3.6
199.09796	1.1
199.13377	2.4
201.11351	8.9
207.10251	19.8
208.10612	1.7
209.11897	1.6
211.13406	10.1
212.13777	1.4
215.12976	0.8
218.89485	0.8
225.00786	1.0
225.11331	20.8
225.14763	5.9
226.11673	1.3
229.31912	1.5
230.07664	0.9
235.08275	2.5
243.12372	2.2
243.16037	2.3
253.09286	8.5
277.21689	1.1
291.19714	1.3
293.21271	3.0
294.21518	1.2
309.20639	1.0
311.22235	13.0
312.22702	7.9
338.96030	0.8
341.23328	44.8
342.23660	6.1
461.20322	3.6
509.27158	1.4
785.43677	3.1
786.44727	1.7
802.47833	1.2
803.49902	14.6
804.48553	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	803.443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.6
58.00584	1.7
59.01383	17.8
61.98830	11.7
64.69803	1.1
69.03450	3.0
70.53620	1.0
71.01382	73.7
72.99301	1.8
73.02940	6.8
81.03451	1.8
83.01388	4.2
83.05019	4.4
84.02168	3.3
85.02951	7.1
87.00871	4.2
89.02442	9.6
95.01382	1.6
95.05006	2.4
96.96004	7.8
97.02943	4.4
97.06580	9.8
98.19886	3.3
99.00909	1.9
99.04486	1.4
101.02445	15.9
109.06605	9.2
113.02457	7.1
119.03484	3.2
121.06543	1.5
125.02409	2.7
125.06129	1.2
125.09699	8.4
127.11246	4.1
134.87549	1.0
135.08112	1.9
143.03487	3.4
145.05023	1.0
145.10167	1.1
147.08086	1.1
149.63905	1.0
155.10750	1.9
161.04568	4.0
161.09666	1.3
163.11307	9.9
165.09254	1.3
165.12830	1.9
167.10727	1.2
171.10263	65.4
172.10570	3.3
179.05569	1.8
181.12268	4.1
183.13882	2.8
185.11765	3.6
189.09196	2.8
191.10782	1.6
193.12314	11.8
194.12695	1.1
197.11797	3.9
201.09578	1.9
201.11328	25.2
202.11618	1.1
207.10251	29.8
208.10619	3.0
209.11813	44.0
210.12100	3.3
211.13388	53.5
212.13658	5.2
215.12952	3.1
225.11328	42.9
225.14819	16.6
226.11771	5.5
226.15338	1.6
226.87003	1.2
227.12816	4.3
229.19414	1.1
235.08191	9.0
241.14438	14.2
242.14954	1.4
243.12285	3.6
243.15968	8.3
244.16409	1.0
253.06641	1.9
253.09280	27.1
253.14470	2.1
295.10226	1.8
321.20590	2.7
323.21744	1.3
341.23297	100.0
342.23660	12.9
369.62912	1.1
374.19458	1.3
379.12369	2.3
397.13525	11.5
398.13596	1.7
415.14691	2.2
443.19348	1.4
461.20218	9.1
472.00482	1.2
479.21576	1.3
495.32904	1.5
525.34357	2.0
577.32275	2.6
609.27991	1.5
738.34216	1.3
785.43176	5.4
786.43323	1.1
796.22467	1.2
803.43787	7.6
804.45038	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	803.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.3
58.00597	1.6
59.01379	19.4
61.98833	12.5
67.01900	1.1
68.51451	0.9
68.99569	3.0
69.03456	4.2
71.01385	40.8
72.99305	1.9
73.02948	6.2
78.95936	1.7
80.02700	1.7
81.03452	2.4
83.01385	6.0
83.05043	5.9
84.02169	3.3
85.02956	5.1
87.00861	4.5
89.02444	10.2
95.01375	1.9
95.05032	3.3
96.96017	21.6
96.96656	1.2
96.96951	2.2
97.02960	4.7
97.06589	9.5
99.00881	2.1
99.04546	1.2
101.02448	13.1
109.06599	7.2
112.98581	2.8
113.02461	5.6
116.92894	1.4
119.03506	3.0
121.06560	1.2
123.08128	1.3
125.02457	3.1
125.06005	1.1
125.09705	7.0
127.11302	3.1
128.78900	0.9
130.48984	1.0
135.08188	1.5
137.09705	1.4
142.02632	1.1
143.03508	2.5
145.05057	2.0
149.09743	1.2
151.11191	1.1
153.09261	1.0
155.10718	1.5
161.04561	3.7
163.11296	11.3
164.11661	1.1
165.12871	3.5
169.12370	1.3
171.10278	71.9
172.10603	3.7
175.11299	1.2
179.05637	1.6
179.10828	1.8
181.12338	3.9
183.13896	3.7
185.11874	3.8
189.09190	1.2
191.10835	2.8
193.12372	10.8
197.11865	3.2
199.09503	1.1
201.11331	26.4
207.10272	21.5
208.10622	1.3
209.11836	59.5
210.12183	3.0
211.13416	40.4
212.13756	4.1
215.12871	2.2
221.11871	1.3
225.11343	40.8
225.14879	17.0
226.11852	4.1
227.12845	6.3
235.08226	10.5
239.12732	1.1
241.14474	19.4
242.14809	2.2
243.12317	2.7
243.15970	7.4
253.09279	26.1
253.14481	1.8
254.09518	1.1
295.10544	1.4
321.20615	3.0
341.23315	100.0
342.23715	11.8
379.12793	1.2
396.15149	1.1
397.13498	8.7
415.14468	1.4
443.19159	2.0
458.37979	1.2
461.20120	7.7
462.20703	1.6
479.21475	1.9
495.33575	1.5
525.34338	1.5
577.32654	1.5
591.26672	1.2
609.27374	1.6
765.72955	1.1
784.23938	1.1
785.42944	3.9
786.42432	1.2
803.44330	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	803.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	15.7
61.98830	25.5
67.24452	2.1
69.46790	2.3
70.23833	2.2
70.98261	4.4
71.01388	38.8
73.02939	3.4
78.95889	2.5
79.95761	2.3
80.96514	7.4
81.03461	5.5
82.69319	2.4
83.01406	4.8
83.05008	11.4
84.02161	2.5
85.02973	3.6
85.17109	2.0
87.00896	3.2
89.02469	7.6
94.98096	2.7
95.05029	2.8
96.96008	9.6
97.02946	7.4
97.06615	3.3
99.00877	5.9
101.02448	7.2
109.06578	9.7
111.08121	4.1
113.02450	6.4
125.02467	2.9
125.09746	6.4
135.08144	4.1
137.09669	2.2
139.11415	2.2
159.85078	2.6
160.33192	2.3
161.04521	3.2
163.11339	16.0
165.12828	5.7
169.34554	2.2
171.10286	32.6
178.51006	2.4
181.12352	7.5
185.11806	6.6
197.11852	17.2
199.13390	4.7
201.11285	10.9
204.82170	2.4
207.10268	30.2
208.10555	2.8
209.11819	100.0
210.12149	7.1
211.13359	12.2
225.11310	36.6
227.12860	16.0
228.64189	2.6
235.08238	5.1
243.12309	5.9
245.19153	5.2
249.59297	2.5
253.09312	21.9
254.09866	3.2
256.75925	2.5
289.18033	16.2
291.19617	14.7
307.19012	12.5
309.20743	28.8
310.21298	3.3
397.13287	2.9
461.20294	3.9
506.73090	2.8
506.87662	3.0
555.61987	2.5
687.32672	4.3
753.40369	3.5
803.40619	7.5
804.39288	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	803.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.8
58.00585	0.7
59.01384	11.5
61.98832	15.0
69.03460	1.4
71.01382	10.7
71.05022	0.4
71.50747	0.4
72.69569	0.3
72.99315	0.9
73.02951	1.8
75.00865	0.7
78.95908	0.6
81.03481	0.4
83.01389	1.1
83.05011	0.8
84.02166	0.8
85.02952	3.0
87.00886	2.3
88.98839	0.5
89.02444	8.5
95.01385	0.6
95.04991	0.5
95.30807	0.3
96.96010	5.2
96.96974	0.5
97.02966	2.2
97.06600	0.7
99.00892	2.1
101.02451	7.1
102.02770	0.5
109.06581	0.9
111.04538	0.5
113.02457	4.6
114.97702	0.3
115.03997	0.4
116.92870	0.6
119.03522	2.4
121.02963	0.4
125.02461	4.1
125.09715	1.0
131.03535	0.5
143.03477	1.5
161.04541	2.0
163.11256	1.3
167.14401	1.0
169.01411	0.9
169.12289	0.4
171.10266	7.9
172.10634	0.5
179.05626	2.1
179.07045	0.4
181.12346	1.2
183.13905	7.6
184.14276	0.3
185.11841	0.6
185.58794	0.3
193.12347	2.8
197.11845	1.0
199.13364	1.1
201.11316	1.1
207.10300	3.0
209.11810	3.6
210.12193	0.5
211.13397	100.0
212.13742	6.8
221.06657	0.8
222.79366	0.4
225.11342	5.8
225.14977	1.2
227.12918	0.8
235.08199	3.2
241.14519	0.4
243.12323	1.1
243.16017	0.7
245.06506	0.4
253.09273	2.5
253.14552	0.4
263.07816	0.5
287.07825	0.7
289.18005	0.4
305.08792	0.8
323.09991	0.6
325.20172	0.8
341.23380	6.5
342.23541	0.9
379.12378	4.5
392.30695	0.3
397.13486	19.5
398.13861	1.9
415.14600	4.1
416.14841	0.4
461.20251	0.8
542.93457	0.4
591.26605	2.8
592.27020	0.5
609.27594	3.7
610.28033	1.0
785.40448	1.7
786.39612	0.5
803.44769	5.7
804.44849	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01379	100.0
60.01712	1.1
61.98829	32.9
62.43062	0.4
62.98525	0.5
63.10477	0.4
63.99253	0.8
68.99564	0.6
69.65991	0.4
69.66355	2.9
71.01382	11.6
73.02946	3.4
75.00876	0.5
78.95905	0.7
83.01398	1.6
85.02957	4.6
87.00885	0.9
89.02432	2.7
95.01378	1.1
96.96015	4.9
96.96992	0.6
97.02990	0.6
99.00905	1.3
101.02443	6.5
108.12561	0.5
113.02450	4.4
115.66705	0.5
119.03542	0.6
123.00881	0.5
124.84850	0.4
125.02448	1.5
127.56625	0.5
161.04552	3.7
166.99966	0.5
169.01447	1.5
209.11995	0.7
220.70038	0.5
315.18140	12.4
316.18607	1.4
357.19211	5.1
358.19470	0.6
361.06979	0.5
376.86374	0.5
417.07797	0.5
456.56015	0.6
537.52295	0.5
633.45850	0.5
651.30780	0.7
656.01257	0.5
741.40094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	3.5
61.41247	1.0
61.98829	100.0
69.03416	1.2
69.79520	4.8
71.01382	14.0
78.59391	0.8
78.72757	0.7
78.95905	9.7
79.95797	0.8
80.79093	0.8
80.92706	0.9
80.96532	4.4
81.03493	0.8
81.61327	0.8
85.02981	1.0
89.02454	2.0
97.06595	1.2
101.02436	3.1
103.28439	0.9
109.06592	1.0
125.02441	2.0
125.09729	1.9
140.01089	1.0
152.99565	3.0
163.11256	1.7
169.01462	0.9
171.10239	6.4
181.12384	1.2
185.11826	1.9
193.12360	1.3
195.13924	2.0
197.11798	2.4
201.11395	1.9
205.12334	2.0
207.10208	3.2
209.11888	5.7
210.12143	1.0
211.13397	5.6
212.13736	1.0
223.13377	20.0
224.13780	1.9
225.11319	3.8
225.14946	1.0
235.08199	1.6
239.12859	1.4
243.15894	0.9
245.19093	1.9
253.09256	5.6
277.21579	1.2
289.17999	8.4
290.18250	0.9
291.19705	1.1
293.21094	1.4
307.19101	7.2
309.20770	2.9
311.22244	3.1
312.22620	1.6
341.23242	8.3
342.23740	0.9
397.13370	1.2
403.80875	0.9
439.46509	0.9
459.21973	1.0
543.74152	0.9
600.38544	0.9
803.36890	1.9
803.49408	2.3
804.40430	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	803.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98830	7.5
62.91380	0.1
63.99253	0.4
68.99564	0.5
71.01375	0.6
78.95902	8.8
79.95738	4.0
80.64558	0.2
80.96513	0.2
82.95415	0.2
85.02937	0.2
87.00879	0.2
88.04062	0.2
89.02445	0.3
94.98078	0.4
95.97588	0.2
96.96012	100.0
96.96917	9.6
97.95982	0.4
98.20649	0.4
101.02431	0.3
112.98563	0.2
113.02420	0.2
116.92878	0.2
123.00838	0.3
125.02449	0.6
125.09733	0.2
128.90176	0.3
132.03062	0.3
163.11307	0.2
168.00647	0.2
169.01387	0.8
171.10287	0.5
179.05667	0.1
195.10199	0.2
197.11890	0.3
204.04092	0.2
207.10269	0.4
209.11865	1.7
211.13396	0.5
221.73528	0.1
225.00874	0.2
225.11368	0.3
227.12924	0.3
253.09247	0.5
285.04031	0.3
397.13696	0.4
803.37225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47319	0.3
57.03464	0.6
59.01380	1.5
61.98829	100.0
62.98544	0.4
71.01383	9.5
71.49842	0.4
73.02953	0.3
75.12433	0.3
78.95905	5.3
79.95753	0.5
80.96503	1.6
83.32973	0.3
84.02170	0.6
85.02923	0.4
95.01407	0.6
97.02954	0.6
97.06586	0.7
99.08138	0.5
99.56824	0.3
101.02448	0.7
109.06596	0.5
112.98753	0.4
113.02467	0.4
113.09719	0.7
114.80147	0.3
118.58568	0.3
122.00168	0.5
129.09219	0.8
131.38414	0.3
140.01213	2.1
140.98776	0.3
151.11215	0.4
152.99634	0.7
153.12917	0.4
161.91541	0.3
163.11253	1.0
169.12349	0.9
171.10260	4.4
181.12358	1.2
183.13904	0.6
193.12216	0.7
195.13785	0.4
196.03812	0.8
197.11836	3.3
199.13383	1.3
201.11264	1.0
207.10229	3.2
209.11792	0.8
211.13402	4.2
223.73976	0.4
224.09943	0.4
225.11345	2.8
225.14822	0.6
253.09247	1.5
277.21573	0.4
293.21194	2.8
295.22742	0.7
300.99805	0.5
311.22275	16.8
312.22809	1.7
341.23285	5.5
342.23761	0.4
461.20074	0.8
490.25696	0.3
508.26657	1.3
644.75946	0.4
697.03204	0.4
785.43317	0.6
802.48846	11.7
803.50592	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	802.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98519	0.2
69.68210	0.5
78.95901	0.2
79.95715	0.1
80.96529	0.3
98.10054	0.1
98.19949	0.1
126.82401	0.1
129.92308	0.1
262.84247	0.1
277.21707	0.2
362.82074	0.1
802.49554	0.1
803.39124	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71334	0.1
59.01396	0.1
61.98834	100.0
62.98553	0.2
69.85525	0.1
71.01405	0.3
71.26730	0.2
72.32670	0.1
72.35706	0.1
74.47520	0.1
78.95926	0.1
79.95728	0.1
80.96507	0.1
90.73701	0.1
173.42619	0.1
177.67703	0.1
197.11810	0.1
203.64998	0.1
207.10304	0.1
209.11853	0.2
211.13458	0.2
289.18176	0.1
307.86139	0.1
337.50967	0.1
341.23566	0.2
437.91519	0.1
570.83954	0.1
646.79926	0.1
683.96277	0.1
690.62708	0.1
691.93536	0.1
802.47809	0.3
803.38324	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.98547	0.2
66.58480	0.1
69.77026	0.2
69.77434	0.4
78.95927	0.2
80.96514	0.2
86.43596	0.1
211.13400	0.3
212.13789	0.3
225.00819	0.2
277.21774	0.3
278.22131	0.3
279.22662	0.2
289.18155	0.1
523.59509	0.1
768.29529	0.2
803.42401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.2
60.86102	0.4
61.98829	100.0
71.01383	12.2
71.01785	0.6
71.50715	0.8
78.95901	7.4
79.69824	0.4
80.96509	1.4
84.02183	0.6
85.02988	0.4
89.02448	0.8
95.05025	0.4
96.96973	0.5
97.02969	0.8
97.06606	0.9
99.00848	0.5
99.08150	0.9
99.94395	0.4
101.02422	0.8
109.06628	1.2
110.98638	0.5
113.02429	0.6
113.09726	0.9
113.70900	0.4
122.00108	0.5
123.08179	0.7
125.02415	0.6
125.09698	0.6
129.09247	1.2
137.09682	0.4
139.79344	0.4
140.01207	3.0
149.94104	0.4
151.11304	0.4
152.99611	0.8
163.11284	1.5
169.12341	1.4
170.62801	0.5
171.10266	6.9
173.00912	0.4
179.10890	0.4
181.12360	1.6
183.13896	0.7
191.30757	0.4
193.12379	1.5
196.03789	1.4
197.11766	4.6
199.13412	2.2
201.11324	1.7
207.10231	5.0
209.11816	1.0
211.13370	6.6
225.11322	4.8
225.15001	1.4
235.08263	0.6
243.12492	0.6
243.15961	0.9
253.09283	1.9
275.20135	0.5
277.21790	0.6
293.21198	3.6
295.22641	0.5
309.20401	0.5
311.22281	21.7
312.22720	2.3
341.23294	8.4
461.20694	0.6
490.25861	0.5
508.26886	1.5
509.26804	0.4
785.43427	1.1
802.48859	12.9
803.49756	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	801.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81694	0.9
57.03445	1.8
59.01381	10.4
61.98831	52.2
63.30791	0.7
68.99517	0.9
69.03465	5.7
71.01385	7.2
71.05019	3.0
72.54688	0.9
73.02924	1.4
78.91875	1.2
78.95890	1.2
81.03430	1.6
83.05023	1.9
84.02135	1.6
85.02939	2.2
87.00836	2.0
95.01379	1.2
95.05001	1.0
96.96011	2.3
97.02959	1.4
97.06602	8.4
98.20776	1.5
101.02463	6.1
102.07961	0.8
113.02416	2.7
115.00361	2.8
117.49582	0.9
120.40137	0.9
123.08173	1.8
125.02433	2.5
125.09745	5.6
126.10023	0.9
137.09697	1.7
151.11246	4.0
153.12817	1.5
161.04512	2.1
161.09697	3.7
163.11249	1.1
169.01427	2.6
169.12309	2.1
171.10278	9.0
175.11497	1.0
179.10780	7.1
185.11838	1.5
193.12320	8.8
197.11832	78.1
198.12138	3.6
207.10231	1.9
209.11772	6.5
210.12012	0.9
211.13451	6.5
212.13602	0.8
221.11740	1.5
223.09715	2.1
225.11354	1.4
225.14928	12.4
226.15181	1.5
235.08223	1.1
241.10828	3.7
243.16153	5.1
253.09366	5.6
266.85385	1.0
291.19568	1.5
309.20706	0.9
341.23279	15.1
342.23593	1.3
477.19464	1.2
486.46085	0.9
506.13635	0.9
544.87457	0.9
708.35626	0.9
769.40369	2.0
770.40613	1.8
801.42755	100.0
802.43164	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.7
61.98832	65.2
64.69148	0.9
65.00305	1.5
74.63277	0.8
76.14671	0.9
80.68917	0.8
98.19855	2.0
101.02451	0.8
102.14186	0.8
107.01371	2.4
113.39834	0.9
125.02444	3.0
135.00847	1.4
145.02901	0.9
149.80058	0.9
151.00345	3.1
163.00323	1.2
168.20261	0.8
169.01358	2.8
194.62395	0.9
204.33022	0.8
213.05672	0.9
217.01416	1.2
227.03488	34.8
228.03777	2.8
229.05025	2.6
246.01224	1.4
255.02985	68.8
256.03488	9.6
257.04459	2.0
270.98743	1.0
273.00443	1.9
274.00980	1.5
283.02429	1.8
284.03262	100.0
285.03915	25.6
286.04337	2.3
298.98325	1.2
300.99823	2.0
302.00232	1.5
516.28259	0.9
624.07416	1.1
739.20898	75.5
740.21210	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	802.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98518	0.2
71.01395	0.1
71.90688	0.1
75.34544	0.1
78.95930	0.4
79.24556	0.1
79.95737	0.3
80.96510	0.7
94.98130	0.1
98.19861	0.3
125.11584	0.1
152.99603	0.2
164.98698	0.1
166.94240	0.1
169.33556	0.1
171.10258	0.3
209.11867	0.1
211.13544	0.1
225.00954	0.2
277.21777	0.2
311.22287	0.3
416.55807	0.2
785.38367	0.3
802.47803	0.2
803.39789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
68.54424	0.1
70.96953	0.1
70.97573	0.2
71.01390	0.1
75.53059	0.1
78.95926	0.3
79.95734	0.2
80.96497	0.6
94.98067	0.1
126.91209	0.1
140.27000	0.1
197.11801	0.2
209.12135	0.1
211.13506	0.2
247.09547	0.1
277.21753	0.2
293.21317	0.4
295.22867	0.2
311.22385	0.4
382.48676	0.1
758.81525	0.1
785.38751	0.2
803.39594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.6
59.01376	8.4
61.98830	59.0
67.01880	1.2
69.03446	5.0
71.01374	6.9
71.05009	2.0
72.99281	1.2
73.02949	1.7
74.99612	0.6
78.91878	1.6
80.96518	1.0
83.01394	1.3
83.05027	2.2
84.02165	1.9
85.02942	1.9
86.24756	0.8
87.00867	1.5
96.96004	1.1
97.02962	1.8
97.06582	6.8
98.19888	1.7
99.00895	0.9
99.04520	1.1
101.02444	5.3
110.98590	0.9
111.08124	1.2
113.02457	3.4
115.00365	2.3
116.92844	1.1
119.04996	0.7
123.08173	1.3
125.02434	2.0
125.09711	5.0
131.03552	0.7
137.09683	1.5
139.76062	0.7
143.03426	0.9
144.55647	0.7
151.11252	2.4
153.09062	0.8
153.12791	1.3
161.04541	1.9
161.09692	3.9
163.11249	1.0
169.01352	1.8
169.12297	1.6
171.10255	10.9
179.10777	7.0
191.45134	0.7
192.87959	0.9
193.12332	6.5
197.11826	70.1
198.12186	4.1
199.13339	1.0
209.11809	7.1
211.13437	5.8
223.09779	1.6
225.11397	1.3
225.14961	10.9
235.08147	1.1
241.10780	2.8
243.16005	6.2
253.09306	3.9
264.66245	0.7
289.37805	0.8
291.19772	0.9
301.00037	0.8
309.20816	1.1
341.23276	15.6
342.23788	1.7
397.13351	1.5
477.20007	1.1
483.13052	0.8
769.39722	1.2
783.40845	1.0
801.42798	100.0
802.43091	23.7
802.58081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39041	1.1
57.03445	3.6
58.00604	2.5
59.01076	1.7
59.01379	43.8
61.98832	100.0
65.03952	2.0
68.61736	1.1
68.99564	2.3
69.03457	3.3
71.01385	39.0
72.01688	1.3
72.99305	4.3
73.02953	6.8
75.00877	1.9
78.91898	15.9
78.95908	2.5
79.95741	13.1
80.96528	9.5
81.03459	3.7
83.01381	3.4
83.05042	7.2
85.02942	9.3
85.06557	1.3
87.00874	9.4
89.02442	30.3
93.03438	1.9
94.98096	4.1
95.01394	2.9
95.05030	1.5
96.96014	12.5
96.96918	2.5
97.02969	5.7
97.06582	2.9
98.02087	1.1
98.19949	3.7
99.00898	1.8
101.02445	21.1
109.02966	1.1
109.06594	2.1
111.08169	5.4
112.98581	3.5
113.02467	13.6
119.03513	5.1
119.05000	1.6
123.08181	1.8
125.02460	11.4
125.09728	8.6
126.90436	2.9
129.66499	1.1
137.09740	1.8
143.03461	2.8
161.04559	3.5
163.11269	2.9
168.00586	1.3
169.01367	6.2
171.10271	25.9
172.10632	1.1
179.05574	7.3
183.03006	2.3
183.13997	2.3
185.11870	3.2
189.16579	1.4
193.12431	1.3
205.15961	3.3
207.13847	2.1
209.11798	22.8
210.12166	1.7
211.13403	24.5
214.07722	1.2
215.14514	5.6
217.12401	1.3
221.06761	6.6
225.00803	2.7
225.11258	1.6
227.12764	1.7
231.13972	2.8
233.15471	37.2
234.15738	3.0
235.08255	3.4
249.14926	16.2
250.15369	2.0
251.16548	1.9
257.17685	1.2
263.07629	1.8
305.08942	1.5
307.38501	1.1
323.23679	1.4
331.26471	2.7
341.24689	4.3
357.23849	1.4
359.26233	1.7
367.22696	2.4
375.25253	2.7
379.12454	3.7
385.23788	14.2
386.24670	2.5
393.26620	2.6
397.13510	21.8
397.18497	2.0
398.13852	2.4
403.24915	28.9
404.25287	4.5
415.14761	3.1
421.25946	15.7
468.54929	2.0
480.56161	1.4
647.29053	2.1
679.26666	1.5
697.28339	2.4
765.76312	1.3
773.40204	2.5
783.38037	62.5
784.38287	16.4
801.39117	47.9
802.39355	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	801.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
58.00610	0.4
59.01382	28.3
61.98833	100.0
62.98534	1.0
63.99252	1.0
68.99552	0.6
69.03456	1.1
70.65602	0.6
70.65958	0.8
71.01387	10.8
72.99306	1.3
73.02946	2.2
74.53195	0.4
78.95905	0.8
79.95741	0.8
80.96521	1.2
81.03483	0.7
82.81995	0.4
83.01411	1.7
83.05030	1.9
84.02165	0.7
84.60837	0.4
85.02955	4.9
87.00861	1.8
89.02446	5.1
95.01399	1.6
96.96020	2.3
96.96986	0.5
97.02961	1.5
97.06609	1.1
99.00892	0.8
101.02450	6.0
109.06599	0.7
111.04532	1.1
112.98589	0.9
113.02447	5.8
113.34008	0.4
117.95035	0.4
119.03521	1.4
123.00858	0.5
123.08154	0.5
124.01707	1.1
125.02445	4.3
125.09734	1.2
127.03960	0.4
143.03548	2.0
143.88089	0.3
153.09149	0.5
161.04544	2.0
161.09727	1.0
163.11336	1.6
165.12877	0.5
169.01392	1.1
169.12346	0.8
171.10268	5.0
178.50810	0.4
179.05643	1.0
179.10806	0.5
183.13918	0.5
185.11906	0.5
185.99637	0.4
197.11823	3.1
207.10269	1.2
209.11836	17.9
210.12245	1.1
210.15784	0.3
211.13402	14.6
212.13760	0.6
221.06703	0.4
222.37755	0.4
223.09746	2.5
225.11394	1.2
225.15030	1.3
227.12889	1.9
233.15443	2.3
235.08212	1.5
235.13466	0.4
243.16110	0.6
249.98352	0.4
253.09277	2.6
287.16559	2.2
300.99902	0.6
301.87933	0.4
305.17554	2.5
341.23383	4.8
379.12347	0.5
385.23898	1.2
397.13559	4.6
398.14001	0.5
403.25101	1.6
407.19037	0.4
415.14798	1.1
436.67685	0.5
449.28766	0.5
467.30191	0.7
468.55264	0.6
469.05258	0.5
591.26025	0.6
593.33167	3.0
594.34064	0.6
607.25323	0.5
611.34283	12.3
612.34949	2.2
629.35388	4.2
630.35944	0.9
653.35663	1.3
671.36487	3.1
697.30865	0.8
733.39697	0.5
783.37903	6.0
784.38977	1.2
801.42102	4.9
802.42871	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
61.98831	100.0
63.96227	0.9
69.97408	2.0
71.01385	6.8
73.02941	1.2
78.95916	1.6
78.98584	4.0
79.95738	9.8
80.96518	55.9
81.03490	0.6
83.01437	0.4
83.05021	0.5
85.02963	1.8
87.00899	1.7
88.98837	0.6
94.98088	12.1
95.01398	0.6
96.96031	2.5
97.02959	1.8
99.00882	0.9
101.02480	2.3
106.98091	2.7
113.02464	0.5
118.98074	0.5
122.97593	2.6
125.02466	3.6
127.04028	0.6
134.97571	2.7
136.99124	1.2
148.99112	3.9
152.98630	3.9
163.11302	0.7
164.98621	9.3
165.98994	0.5
169.01398	1.2
183.03093	0.7
206.99667	1.9
209.11829	8.9
210.12216	1.6
211.13452	0.9
225.00742	15.4
226.01027	0.9
227.12917	0.5
241.01216	0.5
248.15695	0.4
290.89151	0.4
300.99945	0.8
305.05823	0.5
323.05710	1.2
509.17081	1.0
541.19415	1.7
550.34265	0.4
635.41223	0.4
659.33539	0.6
677.34833	0.6
801.35858	52.7
802.36090	12.1
827.13855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
60.82274	0.1
61.98830	100.0
62.98550	0.2
68.75720	0.1
71.01392	1.2
71.06594	0.1
71.06913	0.2
75.00883	0.4
78.95881	0.2
83.95441	0.1
94.28741	0.1
97.02984	0.1
100.31725	0.1
101.02438	0.1
104.36781	0.1
109.06543	0.2
111.11906	0.1
111.80529	0.1
125.09756	0.2
138.12535	0.1
153.47240	0.1
163.11328	0.2
171.10294	0.4
185.11909	0.2
194.99333	0.1
197.11800	0.3
199.13387	0.2
207.10229	0.7
209.11769	0.8
211.13403	0.7
212.13745	0.1
225.11407	0.5
227.12932	0.1
253.09398	0.3
260.92801	0.1
273.17017	0.3
289.18164	0.4
291.19702	0.3
293.21329	0.4
294.21417	0.1
300.99973	0.2
307.19308	0.3
309.20731	0.3
310.20996	0.1
329.64771	0.1
461.20193	0.2
800.47571	0.1
801.40076	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98829	100.0
62.98529	0.3
71.01383	0.1
78.95902	0.3
98.20669	0.2
100.24541	0.1
107.65256	0.1
135.11510	0.1
195.13939	0.2
197.11809	0.2
198.12291	0.1
207.10301	0.3
209.11836	0.3
211.13387	0.9
212.13745	0.3
239.12939	0.3
253.09286	0.1
291.19507	0.1
293.21307	0.4
294.21661	0.2
309.20831	0.4
310.21057	0.2
800.46820	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	16.1
59.25808	0.3
61.98832	2.8
62.52685	0.4
69.03460	0.5
69.24535	0.3
69.77908	2.1
71.01382	4.9
73.02936	1.1
78.95897	1.7
78.98593	1.5
79.95741	3.1
80.96519	20.6
82.96113	2.0
85.02956	1.3
87.00887	0.9
89.02448	1.3
94.98080	5.6
96.96040	0.8
96.96951	0.5
97.02958	0.5
98.20723	0.4
101.02420	2.1
106.98116	1.0
113.02475	1.3
122.97601	0.9
125.02509	0.8
134.97597	1.3
136.99130	0.6
148.99101	1.5
152.98619	1.3
161.04604	0.7
164.98634	2.9
179.05646	0.7
183.13898	6.2
184.14354	0.4
188.98608	0.5
193.12332	1.7
206.99661	0.5
211.13383	100.0
212.13734	6.1
225.00743	6.2
227.00583	0.4
227.12834	0.6
235.08165	1.4
241.01219	0.9
253.09280	6.4
255.23431	0.9
277.21710	51.0
278.22040	6.4
392.23328	0.4
412.97314	0.4
429.21213	1.2
447.22263	7.8
448.22656	0.7
513.30396	0.7
537.27625	0.7
707.43494	0.8
709.38403	10.4
710.38519	2.7
781.40521	4.8
782.41034	1.4
799.42352	12.7
800.42035	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	800.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.91221	0.1
62.98547	0.2
69.59064	0.1
73.30219	0.1
73.87780	0.1
80.96506	0.1
88.98785	0.1
234.19431	0.1
347.55472	0.1
433.93726	0.1
491.00922	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.5
59.01382	5.2
59.05560	0.6
61.98830	100.0
69.03446	0.6
71.01390	2.4
73.02956	0.6
78.95908	1.8
80.96527	0.7
87.00864	0.7
89.02467	1.9
97.02986	1.3
97.06623	0.6
101.02470	2.0
111.08157	3.5
113.02480	1.1
125.09703	0.7
126.77367	0.5
151.69394	0.5
153.12918	0.7
161.04631	1.1
164.07060	0.5
165.12830	0.8
169.01448	0.7
169.12392	1.4
171.10323	1.0
179.05786	0.9
183.13919	3.3
193.12367	1.3
195.14005	0.7
197.11830	16.9
197.13544	1.1
198.12170	1.3
199.13458	1.4
207.10374	0.7
209.11835	6.3
211.13388	54.9
212.13795	3.6
215.12941	1.0
223.13481	0.7
227.12914	1.9
235.08260	2.0
253.09291	8.3
263.20306	0.6
273.00558	0.6
275.20200	0.7
291.19690	8.8
292.19995	0.8
293.21237	6.1
293.33304	0.5
309.20728	25.7
310.21088	3.2
311.22531	1.0
447.22296	4.2
472.77271	0.6
545.29321	0.8
729.24432	0.6
739.41388	0.7
799.47455	1.1
800.47595	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	799.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
61.98832	100.0
71.01397	0.6
71.50223	0.4
78.95914	0.6
80.96479	0.2
83.05043	0.3
87.00909	0.3
89.02460	0.3
94.75222	0.2
101.02452	0.8
109.06585	0.2
111.08173	0.6
113.02460	0.3
121.62957	0.2
125.02460	0.4
150.09271	0.2
152.99593	0.3
161.04622	0.3
169.12349	0.5
171.10347	0.3
179.05653	0.2
181.12393	0.3
183.13951	0.9
195.14041	0.3
197.11845	3.4
199.13518	0.3
207.10217	0.4
208.10551	0.3
209.11835	1.4
211.13393	14.7
212.13696	1.0
223.13327	0.4
225.11375	0.3
227.12810	0.5
235.08253	1.0
253.09312	2.2
263.20279	0.4
273.17200	0.3
291.19568	1.6
292.19986	0.4
293.21210	1.1
294.21561	0.3
309.20731	5.9
310.21109	0.8
439.79968	0.2
447.22498	1.1
466.21637	0.2
527.29187	0.2
545.30029	0.2
589.96143	0.2
773.31708	0.2
799.36353	0.2
800.47260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53882	0.3
63.56173	0.3
65.74623	0.3
67.89879	0.3
69.16398	2.6
71.01366	0.6
111.00866	1.7
124.01648	1.3
124.06853	0.4
127.00406	0.8
136.98816	1.3
139.00357	1.6
140.01141	2.9
168.00645	4.6
183.02982	100.0
184.03336	5.5
189.54085	0.4
266.23923	0.5
271.02539	1.1
300.02774	1.4
301.03549	1.0
335.04077	15.1
336.04471	1.6
463.08740	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	799.3765
Annotation	Win 66306
Peak:m/z	Relative Intensity
57.03448	1.4
59.01382	20.1
61.98834	100.0
63.55222	0.7
65.03970	1.7
69.03452	2.0
71.01385	20.9
72.99304	3.8
73.02963	2.9
75.00877	1.6
80.02691	0.8
80.96554	1.0
81.03485	1.6
83.01407	2.4
83.05044	1.2
85.02959	4.6
87.00868	4.0
88.98820	3.5
89.02444	13.5
93.03473	1.3
94.98119	2.5
95.01424	1.9
95.05044	1.2
96.96031	2.4
97.02969	3.7
97.06615	1.9
101.02444	12.0
107.46210	0.7
109.06620	2.1
111.00902	1.2
113.02459	6.2
115.05585	1.5
119.03529	1.9
121.02998	0.9
123.00918	0.8
123.08220	1.5
125.02458	5.0
125.09731	8.1
135.08167	1.3
139.39760	1.0
143.03552	1.7
161.04584	1.9
163.11319	1.4
169.01460	2.6
171.10316	2.3
179.05673	2.7
185.11913	1.4
187.09886	1.0
187.14978	4.7
201.12939	0.9
203.01578	0.8
203.14299	0.9
205.12350	1.5
207.10345	2.1
209.11810	8.4
211.13474	2.2
213.12846	2.5
215.10786	0.8
221.06613	4.0
221.15567	1.2
225.11443	1.3
231.13905	12.0
233.11885	1.4
235.13454	0.8
249.15135	1.0
339.23483	1.6
355.23224	1.2
357.24689	0.9
363.36728	0.8
365.21109	1.5
373.23831	1.4
383.22208	5.8
384.22586	1.4
391.25003	1.4
397.13535	4.7
401.23392	14.2
402.23877	1.5
415.14850	1.4
419.24475	4.5
771.37952	1.5
781.36505	62.7
782.36938	14.4
799.37506	19.2
800.38013	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	798.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.1
61.98829	100.0
98.19754	0.2
160.44841	0.1
209.11868	0.2
211.13441	0.4
212.13817	0.2
229.10593	0.1
277.21890	0.2
291.19516	0.1
294.97092	0.1
309.20972	0.2
341.58652	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	798.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
60.99295	0.3
61.98833	100.0
62.98527	0.2
71.01397	1.1
72.99313	0.4
75.00891	0.2
78.95900	0.2
83.05051	0.2
85.02944	0.4
86.86646	0.2
87.00907	0.2
88.98817	1.9
89.02448	1.0
96.96011	0.3
97.06622	0.2
101.02465	0.5
113.02486	0.3
119.03484	0.3
124.47451	0.2
125.02460	0.8
125.09734	0.5
140.01143	0.2
169.01448	0.8
171.10272	0.5
176.06627	0.2
185.11891	0.3
201.11339	0.2
205.12378	0.3
207.10345	0.4
209.11862	1.0
211.13539	0.3
211.33273	0.2
225.11423	0.3
231.13995	0.3
232.38638	0.2
274.78876	0.2
313.81003	0.2
383.22263	0.3
390.39908	0.2
397.13773	0.5
401.23413	1.0
415.15002	0.2
419.24667	0.4
551.22888	0.2
647.13611	0.2
755.35327	0.2
764.96686	0.2
781.36249	1.3
799.37701	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	797.433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34024	0.9
59.01382	13.1
61.98832	29.5
62.79002	0.8
65.34479	0.8
71.01389	3.9
72.99311	1.3
73.02947	1.3
78.95901	3.2
79.92478	0.8
83.05065	1.4
85.03055	1.0
85.83067	0.8
87.00863	1.4
89.02463	2.8
95.01353	0.8
97.02932	1.3
97.06609	1.6
98.20654	3.6
101.02434	2.8
109.06584	1.1
113.02508	1.1
123.00865	1.0
125.02441	1.0
125.09734	1.5
137.09747	1.5
161.04538	1.5
163.11378	2.2
171.10240	1.1
179.05559	1.2
181.12344	1.8
182.68510	0.8
183.13887	7.0
185.11790	3.6
191.14473	2.2
193.12364	1.7
207.10258	3.2
209.11827	7.3
211.13391	100.0
212.13728	5.0
225.11279	3.7
235.08144	1.8
245.19096	5.1
253.09319	7.8
263.19913	1.3
289.18085	27.5
290.18497	2.6
293.21185	2.6
307.19171	20.2
308.19470	3.0
309.20944	1.5
360.74905	1.0
447.22409	3.4
483.29941	1.1
488.61533	1.0
501.32111	1.1
528.83179	1.1
621.32489	2.0
621.93506	1.0
639.34326	1.2
737.41217	1.6
738.40491	1.0
798.46204	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	797.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88096	1.4
59.01383	11.9
60.43682	1.3
60.70015	1.2
61.98829	100.0
67.88806	1.3
71.01382	3.7
71.49855	1.6
72.99300	1.6
78.95898	4.7
85.02948	1.5
89.02448	3.7
96.96004	1.4
97.02950	3.7
98.92040	1.2
101.02435	3.8
109.06583	14.1
110.03749	1.7
111.08125	1.6
123.04469	1.9
125.02410	2.2
135.09007	1.5
148.72180	1.4
161.04500	2.2
163.11288	8.0
165.59729	1.3
169.01370	2.2
181.12318	1.6
189.09164	1.3
195.00172	1.3
195.13878	5.5
197.11815	4.0
207.08366	2.7
207.10239	38.7
208.10481	2.3
209.11810	7.7
211.13361	3.2
223.13354	13.4
225.11269	10.7
226.11673	2.2
235.08206	3.8
253.09268	14.0
275.20047	4.4
291.19760	7.0
293.21228	68.9
294.21506	7.1
309.20645	4.4
461.20505	3.4
472.17328	1.3
719.40314	1.7
724.42090	2.5
737.41058	20.7
738.41772	5.3
798.45685	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	797.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.1
60.99314	9.7
61.32457	1.2
61.98834	100.0
71.01382	2.6
71.45509	1.2
71.51846	1.8
71.99089	1.4
72.88604	1.3
72.99312	13.2
78.95901	2.3
79.66738	1.2
80.96512	1.6
82.86734	1.2
86.89323	1.3
87.00864	2.1
88.98808	58.1
89.02444	3.3
89.99104	1.4
96.95982	2.6
101.02454	1.3
105.01969	1.7
107.01386	1.8
122.14882	1.5
123.00886	2.7
125.02449	9.0
154.23851	1.2
163.11241	1.5
169.01447	12.3
171.10240	2.3
179.03528	2.9
209.11836	36.3
210.12036	2.8
227.12833	5.1
253.09229	3.7
294.69791	1.4
442.59085	1.5
797.35187	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	797.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.8
66.56316	1.2
69.48882	6.9
69.49298	2.8
71.01388	4.9
71.13670	1.3
72.00656	1.3
82.58691	1.3
84.21172	1.1
85.02992	2.1
95.01407	1.9
96.96072	1.9
101.02414	1.8
107.01400	10.6
109.02966	1.8
113.02449	2.2
123.00874	9.2
124.01617	2.2
125.02448	63.0
126.02788	2.1
139.00415	2.8
139.04243	1.6
140.01186	2.6
142.82535	1.5
151.00354	7.0
153.01959	1.7
166.99872	3.2
167.03542	1.3
168.00641	10.9
169.01424	100.0
170.01791	3.8
174.81036	1.3
181.01372	1.8
183.03020	1.5
191.05693	1.3
194.99348	5.5
211.02467	35.1
212.02666	1.9
241.03545	6.0
271.04593	30.7
295.04730	1.5
297.02350	1.5
297.13449	1.7
300.99866	3.4
307.74884	1.7
313.05634	29.9
314.06036	4.2
331.06662	10.6
339.03671	1.6
373.07843	7.2
394.61041	1.4
403.08746	5.1
433.09885	14.5
434.10571	1.5
439.08771	1.6
465.06485	13.2
466.07288	1.6
475.10950	5.3
483.07797	21.1
484.08258	2.8
493.12482	2.4
525.08655	1.7
555.09753	5.1
585.10803	18.9
586.11572	2.9
611.01154	1.2
627.11987	9.4
645.13098	42.2
646.13245	7.7
797.14233	21.0
798.14178	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	796.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	13.1
61.98828	97.7
64.76850	1.1
71.01382	4.6
72.99306	1.9
73.02946	1.8
75.00876	11.2
78.95904	62.0
78.98588	3.4
79.95739	8.5
80.02669	1.5
80.96519	33.2
81.03468	3.5
83.01401	5.2
83.05022	5.9
84.02183	2.0
85.02944	1.8
87.00869	1.6
94.98089	8.1
95.04999	1.3
96.96961	4.8
97.02947	1.5
100.65318	1.4
101.02447	1.7
106.98107	1.7
109.06597	1.6
113.22878	1.2
122.97650	1.8
122.98488	1.3
124.31149	1.1
125.00094	4.1
125.06062	1.5
125.09702	4.5
128.03581	2.0
128.07188	1.9
129.01932	1.2
134.97575	1.8
134.98578	1.3
135.08160	1.7
138.20012	1.3
147.11807	1.2
148.99121	3.4
152.98598	2.5
152.99614	10.5
163.11293	9.1
164.98586	4.2
165.12878	5.1
168.04300	8.9
171.10287	4.4
179.01016	1.5
181.12292	1.8
191.10738	7.2
199.09735	1.7
206.99709	1.8
207.10272	3.4
209.11821	77.1
210.12184	6.2
223.13332	6.3
224.06923	5.1
225.00711	11.8
225.11362	5.3
226.12082	4.9
227.12845	10.8
241.01309	8.0
241.14433	60.2
242.14796	4.9
255.23282	100.0
256.23645	9.3
277.21887	1.8
281.24811	1.4
322.66086	1.2
419.25528	2.8
462.29840	1.2
466.22388	1.4
480.30988	6.6
523.15570	1.7
619.36243	9.5
620.36310	1.8
645.37921	5.6
646.38306	2.0
667.33661	1.4
684.83392	1.5
690.43518	8.9
704.45038	51.8
705.45581	15.2
722.46039	31.4
723.46490	8.9
743.41187	1.4
779.39130	19.1
796.41803	4.6
797.40320	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.366
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83268	0.3
59.01373	0.5
60.18933	0.3
60.99310	18.3
61.98832	1.4
70.82164	0.7
71.01382	0.6
74.31771	0.2
87.00886	0.8
88.00401	1.2
88.98810	100.0
89.02444	4.8
89.99140	1.1
102.30475	0.2
105.64005	0.2
105.96149	0.3
125.02410	0.3
169.01450	0.6
171.10243	0.3
209.11803	1.9
225.11348	0.3
230.37430	0.3
245.77924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4416
Annotation	A 77003
Peak:m/z	Relative Intensity
59.01342	0.9
59.07457	0.8
61.98798	2.9
63.96202	2.9
65.16425	0.8
65.76151	0.8
69.03429	0.9
71.01381	11.4
73.02912	2.3
77.61759	0.8
78.95904	7.0
78.98586	7.4
79.95733	18.5
80.96514	100.0
81.03439	1.0
82.14740	0.7
82.96038	1.0
85.02901	3.4
85.86062	1.0
87.00866	4.4
94.98086	22.9
95.01360	1.2
96.55004	1.0
96.95969	1.7
97.02890	2.2
99.00869	1.0
101.02381	2.2
104.74720	1.0
106.98081	4.2
122.97586	6.1
125.02386	4.9
125.40974	0.8
127.03979	0.9
128.90649	0.8
130.40620	0.8
134.97603	7.9
136.99083	2.6
142.85988	0.9
148.99136	9.3
152.98541	6.4
152.99556	3.4
161.04344	0.9
164.98637	17.8
171.10135	2.3
206.99634	4.0
209.11694	2.4
211.13266	0.9
225.00732	28.6
226.00801	1.0
230.15268	0.9
244.57124	1.0
255.23283	6.8
283.04764	1.3
283.26175	1.2
327.21613	1.4
364.20807	1.0
428.71689	0.8
509.16122	2.8
521.81287	0.9
555.24835	1.0
557.26233	2.7
565.30469	1.2
793.43250	93.0
794.43329	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.4
64.08829	1.0
69.30640	8.9
71.01382	2.3
78.95905	54.6
79.95731	1.6
80.96511	8.0
91.37071	1.1
94.98071	2.1
96.96978	5.7
97.06605	1.1
99.08180	3.4
106.20749	1.2
108.33481	1.2
125.09737	1.1
127.11299	4.0
139.11322	6.5
152.99588	64.8
164.98608	1.6
171.00639	7.8
171.10277	26.1
183.13934	3.4
193.12312	1.6
196.89500	1.1
199.13570	1.0
209.11906	1.2
211.13390	22.8
212.13826	1.6
225.00781	2.2
227.03305	3.9
229.14433	14.2
230.14989	1.7
236.78835	1.0
245.04305	1.4
253.21758	10.9
254.21924	1.1
255.23329	19.7
256.23727	1.5
314.44815	1.3
327.21906	3.9
329.23306	38.4
330.23761	3.8
385.67819	1.2
465.22632	7.2
539.26520	4.4
557.27295	52.3
558.27808	7.8
633.42719	1.2
793.48987	100.0
794.49261	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	793.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60952	3.1
59.01370	5.9
61.98826	49.6
64.89388	3.4
68.48044	3.7
69.79054	18.3
71.01393	5.7
75.64854	3.4
78.95898	8.5
80.96499	5.2
99.92543	9.1
106.39046	4.1
116.92865	100.0
117.01954	6.1
117.92857	12.7
125.02415	11.8
144.11717	3.8
152.99629	5.3
156.05284	3.9
169.01399	12.5
197.11760	11.6
199.13426	4.2
209.11815	9.0
211.13441	6.8
225.11247	14.3
227.12758	4.6
253.09215	7.9
258.01596	4.7
293.21198	12.8
294.21530	3.7
309.20584	8.0
739.43146	4.1
793.40149	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	793.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60952	3.1
59.01370	5.9
61.98826	49.6
64.89388	3.4
68.48044	3.7
69.79054	18.3
71.01393	5.7
75.64854	3.4
78.95898	8.5
80.96499	5.2
99.92543	9.1
106.39046	4.1
116.92865	100.0
117.01954	6.1
117.92857	12.7
125.02415	11.8
144.11717	3.8
152.99629	5.3
156.05284	3.9
169.01399	12.5
197.11760	11.6
199.13426	4.2
209.11815	9.0
211.13441	6.8
225.11247	14.3
227.12758	4.6
253.09215	7.9
258.01596	4.7
293.21198	12.8
294.21530	3.7
309.20584	8.0
739.43146	4.1
793.40149	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	793.417
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56940	6.7
59.01372	16.7
60.00321	9.2
61.98833	92.1
63.13530	8.5
71.01374	22.4
74.98733	7.7
78.95910	20.6
80.96525	8.7
87.00893	14.7
88.98791	13.7
95.20035	9.7
109.06541	8.8
113.02509	9.0
116.92867	27.0
125.02422	15.4
139.23907	7.9
150.66339	7.5
151.55051	8.9
161.04512	8.8
169.01379	25.2
171.10245	19.2
183.13838	14.8
197.11794	19.7
197.42050	7.5
201.11224	9.6
207.10168	11.1
209.11807	100.0
210.12230	10.3
211.13408	34.4
225.11270	12.7
227.12967	47.1
229.14439	9.6
247.09462	17.5
253.09225	34.3
265.10699	10.7
291.19699	12.4
293.21234	41.3
294.32434	7.9
309.20590	22.2
311.22302	38.1
445.20740	12.5
463.21503	10.3
739.42242	19.8
793.40942	43.5
822.44049	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	791.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.5
61.98831	38.8
68.87210	2.8
71.01385	9.8
71.49740	4.4
74.03581	2.7
78.95903	47.1
83.01389	2.9
83.94046	2.9
85.02959	2.9
89.02457	4.0
96.96999	4.7
97.06594	4.8
101.02422	3.4
109.06601	7.2
125.02467	7.0
125.09710	4.7
128.17444	2.7
152.99590	23.1
163.11313	3.9
169.01399	8.2
171.10287	13.5
183.13895	13.8
197.11823	9.9
199.13358	4.4
207.10287	12.7
209.11830	18.6
211.13400	100.0
212.13693	9.3
225.11316	10.5
227.12903	10.7
235.08272	6.0
245.18924	3.6
253.09381	16.8
289.18112	22.0
291.19620	18.1
293.21277	21.1
307.19156	17.9
309.20752	8.5
311.22241	3.3
343.24911	3.8
447.21722	3.9
737.41425	3.9
791.48248	18.9
792.47308	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	791.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
70.62611	13.4
78.95923	41.7
104.96985	11.1
110.20527	10.8
118.62331	10.9
123.76158	15.3
152.99580	16.6
160.55705	12.1
195.53403	12.2
209.11823	85.0
210.49088	11.1
253.08948	14.6
277.21722	84.2
278.22104	17.2
282.98361	12.0
424.42688	12.2
555.81226	13.8
791.43390	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	793.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
61.98833	2.7
71.01383	0.3
72.96524	0.2
73.02946	4.4
74.02454	0.2
75.00874	0.6
78.95896	0.3
80.73340	0.2
81.44148	0.2
87.00905	0.2
89.02395	0.2
98.19862	0.4
99.00867	1.4
99.92584	12.0
100.92583	0.7
110.83746	0.1
114.93412	0.5
116.92861	100.0
116.97227	1.3
117.01936	9.2
117.05537	0.3
117.92867	6.1
118.02328	0.2
125.02433	0.2
201.11319	0.3
209.11810	0.4
229.23491	0.3
293.21252	0.3
397.13297	0.2
422.23581	0.2
612.96509	0.2
763.37720	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69538	1.2
58.17695	1.3
59.01383	11.9
59.66947	1.3
61.98835	4.3
71.01378	20.3
71.05651	1.3
71.54858	1.5
73.02925	1.5
74.06799	1.3
78.95918	2.9
83.13814	1.5
85.02969	1.4
87.00890	2.3
89.02442	4.2
97.02962	1.5
97.06583	1.5
98.19910	4.4
99.00874	1.7
101.02459	5.4
109.06602	5.1
113.02454	2.8
119.03554	1.5
125.09733	2.6
127.11292	1.7
148.03444	1.3
151.04059	1.8
154.53418	1.7
155.10791	2.3
161.04599	3.3
163.11320	3.8
171.10281	27.3
175.59521	1.3
181.08701	1.9
181.12305	2.5
199.09784	24.4
199.13309	3.7
201.11324	29.4
201.62616	1.6
202.11588	1.8
207.10257	15.5
209.11905	1.5
223.09807	2.4
225.11336	26.9
226.11665	2.2
235.08215	7.5
243.12332	3.6
253.09250	13.5
254.09517	1.6
277.21729	100.0
278.22086	12.1
291.19739	3.3
379.07285	1.4
435.18686	3.9
443.19592	1.7
461.20230	5.8
462.20584	1.5
479.21542	2.9
578.65820	1.5
695.40161	8.3
696.40631	2.7
721.41364	6.0
722.42230	2.5
737.41400	1.8
739.42786	4.4
757.43939	7.2
758.44458	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	791.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09978	2.7
57.11582	2.5
59.01385	9.8
61.78667	2.5
61.98833	100.0
71.01387	10.1
71.49993	5.3
78.95911	63.7
80.20071	2.7
81.73321	3.0
90.44488	2.8
96.96955	7.3
97.02939	4.8
99.08129	2.8
101.02406	3.4
109.06574	4.1
111.00488	2.5
112.24499	2.5
113.09760	3.9
125.02451	3.7
146.99271	2.8
152.99588	27.1
161.04520	3.3
163.11201	4.7
165.12849	4.8
166.79228	3.1
169.01567	5.6
171.10260	10.7
178.19020	3.0
179.49649	2.8
181.40596	2.6
183.13914	25.6
184.14256	5.2
185.11719	3.0
197.11844	9.1
207.10237	14.4
209.11835	11.9
211.13385	61.9
212.13701	6.2
225.11333	10.3
225.15004	3.7
227.12880	6.1
235.08199	6.1
253.09264	13.0
289.18143	9.4
291.19638	6.4
293.21259	28.7
307.19150	17.0
309.20786	11.3
343.24969	4.0
447.21750	6.5
461.19928	3.1
479.24133	4.7
491.86612	3.1
665.33020	2.9
737.41351	7.6
755.42535	4.9
791.46973	28.7
792.47424	5.3
799.78906	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	791.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.9
61.98836	45.6
63.26649	2.7
69.36268	24.4
71.01392	30.2
71.90948	3.0
72.99297	2.6
73.02965	4.8
76.70980	2.7
78.95909	30.5
83.05025	5.9
85.02986	3.5
89.02458	6.7
95.90472	2.9
97.02941	5.1
101.02459	9.2
103.69754	2.6
107.97884	3.0
109.06604	30.2
111.08180	3.4
113.02467	6.6
116.92886	2.9
123.00888	4.0
125.02480	8.3
134.05031	3.1
149.87471	3.3
152.99612	9.2
161.04506	4.1
163.11267	13.4
167.10768	3.4
169.01434	10.7
171.10266	27.3
195.13889	5.4
197.11816	2.9
199.09692	5.0
201.11273	5.3
207.10263	75.1
208.10652	4.6
209.11833	75.1
210.12195	7.0
211.13408	12.5
223.13467	6.1
225.11310	42.1
226.11494	3.4
227.12828	15.9
235.08136	6.6
253.09258	28.2
258.01682	9.0
275.20212	4.1
279.45248	3.2
291.19705	100.0
292.19989	12.0
293.21231	69.0
294.21555	6.6
307.19208	4.2
309.20554	6.1
324.29916	2.8
327.21729	3.7
388.69943	3.4
461.20413	20.5
485.02771	3.3
491.24432	4.9
527.28693	4.1
639.17505	4.3
705.32715	6.2
737.40906	17.6
738.41754	4.4
791.39642	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	791.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	14.3
70.75929	10.6
71.01362	4.1
83.05050	3.6
86.67487	3.5
98.35488	3.1
116.92866	4.0
123.78880	3.3
145.64381	3.4
191.06642	3.8
197.11858	26.6
199.13362	3.9
209.09889	6.9
209.11810	100.0
210.12170	9.3
211.13457	4.8
227.12857	20.0
235.08177	10.1
253.09282	20.8
291.19571	14.6
309.20685	58.8
310.20975	5.4
417.35605	4.0
442.91849	3.2
445.21185	4.3
584.82318	3.7
643.80426	3.3
647.13538	4.4
791.39520	28.8
792.40369	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	791.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07325	2.7
58.48534	2.5
59.01368	3.9
60.82900	2.4
61.98832	10.7
62.46503	2.9
71.01407	4.2
77.02319	2.7
78.07063	2.6
79.01540	2.5
82.48593	2.6
100.80237	2.7
101.02438	2.7
108.02417	2.8
111.08137	2.6
125.02460	3.0
156.78165	3.0
197.11842	15.7
209.11835	100.0
210.12199	6.8
211.13411	2.9
227.12946	19.9
235.08275	3.6
253.09253	13.6
291.19647	11.5
309.20709	44.4
310.20840	5.3
445.20935	5.6
545.30127	4.4
791.40015	25.7
792.39960	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	791.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42422	0.2
59.01365	0.8
61.98836	1.3
64.40781	0.1
68.99577	0.2
69.03470	0.2
71.01384	1.0
71.51128	0.2
73.02946	3.3
75.00854	0.4
85.02966	0.4
87.00874	0.5
89.02460	0.5
96.96009	0.9
97.02956	0.2
99.00874	0.9
99.92587	10.9
100.92599	0.7
101.02446	0.5
109.06573	0.2
112.98597	0.4
113.02420	0.2
114.93420	0.7
115.00375	0.2
116.92862	100.0
117.01936	6.4
117.92875	5.8
125.02447	0.4
125.09697	0.3
130.47342	0.2
143.03485	0.2
161.33461	0.2
163.11275	0.4
165.12820	0.2
169.01399	0.5
171.10258	1.7
179.05696	0.2
185.11810	0.6
197.11818	0.2
199.09714	0.5
201.11331	1.8
207.10237	0.5
209.11813	3.0
210.12157	0.3
211.13483	0.9
225.11325	0.9
227.12982	0.6
229.14427	0.2
235.08183	0.3
253.09268	0.9
309.20761	0.3
327.21799	2.3
328.22064	0.4
369.22369	0.2
393.28842	0.2
397.13571	0.5
563.30438	0.3
791.37018	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98540	0.2
65.01816	0.1
69.68580	0.5
78.95905	2.1
79.95702	0.1
80.96504	0.6
94.98102	0.1
96.97003	0.1
98.20618	0.2
99.92617	0.2
108.27861	0.1
115.18968	0.1
115.92100	0.4
116.92829	0.5
121.60986	0.1
123.15012	0.1
152.99590	1.4
164.98650	0.1
171.10347	0.2
172.33327	0.1
178.88474	0.2
179.89256	0.6
180.90056	0.2
184.82669	0.1
194.88071	0.1
196.89508	0.4
207.10226	0.1
209.11841	0.2
211.13478	0.2
225.00784	0.2
253.21855	0.1
261.89902	0.1
300.26819	0.1
307.77911	0.1
327.21857	0.2
368.90973	0.1
428.03699	0.1
445.59943	0.1
555.25793	0.6
616.98175	0.1
755.29114	0.4
791.30646	0.6
791.45453	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	791.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67423	1.2
59.01365	3.5
71.01371	1.5
71.51842	1.6
107.01378	3.8
119.05032	1.6
123.00833	1.2
125.02443	10.0
132.98132	1.3
151.00371	5.9
169.01414	12.2
178.99837	3.0
191.05568	6.7
192.00713	1.0
221.79735	1.3
227.03366	2.3
235.75919	1.1
243.03012	9.6
254.02165	2.5
255.02965	24.9
256.03360	3.2
271.02448	56.9
272.02924	6.7
299.01941	2.3
300.02734	100.0
301.03278	13.2
313.05588	2.5
330.84268	1.3
337.09253	1.4
465.06497	1.5
541.42944	1.1
621.09540	1.7
755.20319	58.4
756.20331	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	789.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.6
57.90021	1.3
58.00598	2.1
59.01377	18.0
61.98833	9.5
71.01382	84.2
73.02940	3.8
80.02648	1.9
81.03453	1.9
83.01349	2.3
83.05035	7.1
84.02128	1.4
85.02942	4.0
87.00869	5.9
89.02436	8.2
95.01390	2.5
95.05019	2.6
96.96003	5.2
97.02924	3.7
97.06580	3.9
99.00874	1.7
99.08159	1.7
101.02443	10.3
109.06589	4.8
111.08163	8.7
113.02435	5.1
114.93399	2.8
116.92876	3.5
119.03485	1.5
125.02408	1.7
125.09704	5.5
127.07611	1.7
127.11263	6.6
135.08078	1.5
137.09698	3.6
139.11208	1.7
143.03528	1.4
151.11288	2.1
153.09181	1.5
153.12865	1.4
155.10773	3.5
161.04543	4.9
163.11261	10.0
165.12813	5.8
167.10716	2.2
169.12303	4.3
171.10262	71.9
172.10594	4.3
179.05592	2.1
181.08778	1.5
181.12286	3.9
185.11812	2.9
191.14549	1.4
191.87273	1.5
193.12276	3.8
197.11830	34.0
198.12228	3.3
199.09737	9.1
199.13356	6.1
201.11322	45.8
207.10239	13.7
209.11818	100.0
210.12216	8.9
211.13374	9.5
225.11334	20.1
225.14874	5.8
226.11609	1.5
227.12860	13.6
235.08195	8.4
243.15945	2.7
245.19075	2.8
250.29706	1.7
253.09271	29.2
263.20059	3.1
265.18210	1.8
289.18033	12.7
291.19644	19.3
292.19907	2.1
307.19080	11.3
309.20676	45.0
310.20963	6.7
327.21762	3.2
336.64709	1.5
341.23309	1.4
343.24866	32.5
343.29053	1.9
344.25156	3.7
355.65054	1.3
438.88766	1.4
445.20624	2.3
461.20224	3.4
517.66943	1.5
523.44501	1.3
753.40192	2.9
754.40466	2.0
789.42303	8.1
790.42554	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	789.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.6
58.00583	2.2
59.01378	13.7
61.98824	15.3
68.99550	2.2
69.03437	2.9
71.01381	77.1
71.04983	1.3
72.01701	1.1
73.02960	5.9
73.03335	1.0
80.02678	1.2
81.03424	2.9
83.01375	2.3
83.05044	7.7
83.84933	1.1
84.02149	1.9
85.02943	11.7
87.00871	3.8
89.02448	6.6
95.01372	1.8
95.05023	2.9
96.95996	8.1
97.02944	3.1
97.06591	4.2
99.00878	3.2
101.02425	9.3
109.06602	10.7
110.78094	1.2
111.00857	1.5
112.98533	1.4
113.02449	6.5
116.92811	3.0
119.03503	2.3
119.94762	1.3
121.06572	1.3
125.02435	1.6
125.06030	1.2
125.09707	5.0
127.11208	3.8
135.08128	3.0
137.09631	1.7
139.07690	1.3
149.89951	1.1
155.10770	2.9
161.04510	3.2
163.11267	12.9
165.12798	3.6
171.10269	81.8
172.10548	2.7
179.05583	2.8
179.10793	1.9
181.12332	5.0
183.10303	1.4
183.13893	2.3
185.11743	3.6
191.10788	1.3
197.11807	4.9
199.09732	1.5
199.13339	1.7
201.11292	21.9
207.10239	28.4
208.10477	1.4
209.11816	81.9
210.12119	3.7
211.11508	1.6
211.13376	19.5
212.13715	1.8
215.12794	3.1
221.11807	3.5
225.11324	49.6
226.11691	3.6
227.12869	9.6
229.14421	11.8
235.08217	11.5
239.12981	1.5
243.12364	4.5
253.09270	30.9
254.09663	2.1
291.19592	6.3
295.10202	1.9
307.19037	1.6
309.20688	11.0
327.21753	100.0
328.22055	10.7
342.23590	1.5
343.70328	1.2
443.19354	1.4
461.20291	8.8
545.29535	2.0
563.30493	2.5
771.41388	4.8
772.42291	2.6
789.42719	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	789.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43384	0.5
57.03455	0.7
59.01384	100.0
60.01713	1.2
68.54057	0.6
68.99844	0.6
69.60970	2.5
69.61377	1.0
71.01384	12.5
73.02953	5.0
80.96535	1.4
83.01400	2.2
85.02969	4.7
87.00894	1.3
89.02465	2.4
89.38780	0.6
95.01394	1.2
96.96039	1.9
98.19992	0.9
98.48627	0.7
99.00898	1.5
101.02451	10.5
107.01418	0.8
108.02208	0.8
111.00858	0.7
113.02464	5.1
123.00946	0.9
125.02485	4.8
143.03615	0.8
143.14597	0.6
151.00418	0.7
159.03009	1.5
161.02571	0.7
161.04555	7.1
169.01421	4.8
169.12366	0.8
170.01782	0.9
189.67281	0.6
227.03491	0.7
251.30751	0.8
285.69336	0.7
313.16663	1.1
331.17642	12.8
331.21262	0.9
332.18073	1.5
371.20938	1.3
373.18680	12.2
374.19086	1.2
415.82510	0.6
789.32477	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	789.383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.2
59.01386	8.4
61.98830	100.0
69.27237	16.6
71.01381	58.7
73.02946	2.9
78.95919	14.0
80.96534	2.5
83.01414	2.0
83.05033	4.4
85.02956	7.2
87.00889	2.4
89.02455	4.8
94.93531	2.2
97.02966	4.6
97.06565	3.0
101.02441	3.5
109.06603	6.9
111.08154	2.4
113.02459	2.5
125.02442	2.9
125.09732	2.9
127.11309	3.4
128.25429	2.0
152.99588	3.6
155.14243	2.2
160.73233	1.9
163.11298	7.2
165.12883	3.3
171.10271	35.5
181.12346	4.5
183.13896	3.7
197.11800	6.6
199.13382	2.9
201.11362	7.2
207.10228	19.1
209.11818	62.6
210.12132	5.5
211.13391	14.5
213.51093	2.0
225.11304	24.1
227.12869	17.4
229.14476	5.4
235.08319	4.7
243.12163	2.0
253.09230	15.1
263.20013	2.8
289.18112	6.3
291.19730	7.1
307.19049	12.5
309.20654	5.7
312.22485	2.3
327.21750	42.6
328.21988	3.8
388.16522	2.3
429.70004	2.4
445.20532	3.8
461.20264	5.5
771.41473	4.1
789.44489	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	789.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
61.98832	25.4
68.99564	3.5
70.98154	0.8
70.98502	1.1
71.01379	9.5
73.02935	3.6
75.00857	1.0
78.95903	1.0
79.95708	0.9
80.91675	0.8
81.15853	0.8
82.95409	3.7
83.01400	1.1
83.05009	2.0
84.95136	0.9
89.02454	2.8
90.15220	0.7
95.05035	1.0
96.96014	18.5
96.96960	1.3
97.02966	1.3
97.06636	1.0
98.95557	1.1
99.00871	3.1
99.92587	11.9
100.92649	0.9
101.02432	2.9
109.06596	2.8
112.98590	3.0
113.02443	2.4
114.93396	1.1
116.92864	100.0
117.01947	4.3
117.92886	5.8
119.03491	0.7
125.02409	1.8
125.09737	1.2
127.11280	0.8
130.36229	0.7
161.04517	0.7
163.11324	3.4
169.01445	2.7
171.10266	8.7
172.10545	0.9
181.12326	3.6
191.70393	0.9
196.55479	0.7
197.11784	3.4
199.13451	2.8
201.11382	2.1
207.10245	11.6
208.10500	0.9
209.11819	31.8
210.12184	5.0
211.13440	3.0
212.61461	0.9
225.11304	16.9
226.11710	1.8
227.12888	7.8
235.08286	2.4
243.12437	4.0
253.09189	4.8
309.20786	0.8
327.21750	3.1
341.23447	1.6
342.23944	1.7
391.24820	1.0
397.13315	0.9
461.20392	5.3
479.21576	2.8
511.23102	0.8
616.43097	0.9
635.31085	2.3
653.32239	2.5
671.32843	4.6
672.33746	1.2
689.33826	9.3
689.43658	1.0
690.34546	1.7
721.36652	4.7
722.37585	1.2
771.38593	1.7
771.81311	0.8
777.90204	0.7
789.40002	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	789.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	16.3
60.41600	6.4
61.98829	55.3
69.82632	8.3
71.01384	29.2
77.49828	6.4
78.95918	8.0
80.96544	11.1
88.98815	31.7
89.02454	9.7
98.20731	16.0
101.02449	10.5
109.06575	12.2
120.43311	7.4
152.90199	8.4
158.98975	7.0
160.23898	6.9
163.11295	14.5
171.10258	21.6
197.11833	17.4
207.10255	54.0
208.10616	7.5
209.11806	100.0
211.13403	11.3
216.81274	7.5
225.11360	26.8
227.12851	20.7
249.73705	7.4
253.09268	35.2
289.18216	41.3
291.19678	16.1
307.19165	32.2
309.20636	61.4
324.01651	7.4
327.21744	11.1
335.99304	9.1
409.63327	8.1
606.37848	9.5
753.40741	37.0
789.37872	50.2
790.38141	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	789.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.8
61.98829	100.0
68.99568	43.0
69.03432	3.3
69.51297	10.1
71.01386	16.1
78.95897	9.1
80.96520	3.7
85.02952	3.5
88.98815	3.2
89.02426	2.4
98.20653	3.0
101.02471	2.4
109.06576	6.5
112.98568	33.5
112.99902	2.7
113.02468	13.3
123.12116	2.1
127.04339	2.0
163.11266	3.8
171.10229	8.6
181.12398	2.1
197.11803	4.2
201.11276	3.0
207.10236	23.9
209.11823	23.5
210.12183	2.6
211.13412	4.6
225.11240	11.3
227.12849	8.2
235.08157	6.1
250.83583	2.1
253.09210	7.9
289.18073	5.3
291.19507	2.1
307.19220	6.6
309.20789	16.4
327.21677	8.2
383.32077	2.3
445.20816	2.9
461.20517	3.3
753.40826	9.7
754.41229	2.5
789.38251	12.3
790.38324	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	789.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
59.01384	15.0
61.98832	80.2
63.99236	2.2
68.99560	4.2
69.03436	3.0
70.89256	5.7
71.01385	28.7
73.02937	5.5
75.58887	1.9
79.95707	2.3
80.96476	3.1
81.03465	2.7
82.95412	4.4
83.01391	2.6
83.05040	8.7
85.02954	2.4
87.00847	3.3
89.02437	7.9
93.03481	2.1
95.04997	3.0
96.96012	37.2
97.02921	5.4
97.06569	1.9
98.95560	5.2
99.00880	10.9
99.92565	7.3
101.02454	9.7
109.06583	11.0
112.98582	3.1
113.02444	5.3
114.93416	3.7
116.92867	61.2
117.01938	3.7
117.92872	3.9
121.06644	2.1
125.02441	7.6
125.09698	4.3
127.11249	2.2
135.28960	1.9
145.93292	2.2
155.10780	2.2
161.04512	4.1
163.11288	12.9
169.01395	7.3
169.12231	2.3
171.10277	32.4
181.12292	10.5
185.11871	3.3
189.09332	2.0
197.11848	11.6
199.13374	13.1
199.18832	1.8
201.11258	16.1
207.10275	32.6
208.10553	3.3
209.11827	100.0
210.12108	5.5
211.13409	11.7
225.11333	51.4
226.11612	3.9
227.12903	20.7
228.13339	2.4
229.14470	5.6
235.08179	8.2
239.12689	2.4
243.12407	12.6
253.09286	20.3
309.20602	4.0
321.73996	2.1
325.20215	9.1
327.21796	23.9
328.21912	3.5
399.21649	2.4
417.22824	2.1
438.89975	2.3
461.20523	13.0
479.21243	7.8
489.10446	2.1
511.62619	2.0
513.81018	1.7
563.30243	2.2
635.30182	3.3
653.31812	6.5
671.33307	9.4
689.34027	29.7
690.34137	8.1
721.36530	14.0
722.35132	3.9
789.40961	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	788.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23979	0.1
61.98829	100.0
62.98526	0.2
71.01408	0.2
71.33927	0.2
78.95906	1.1
79.95744	0.2
80.63620	0.1
80.96532	0.8
94.98094	0.2
110.98608	0.3
116.92821	0.1
135.88814	0.1
152.99606	0.4
164.98749	0.2
171.10281	0.3
193.12395	0.2
197.11827	0.2
209.11862	0.2
225.00719	0.2
225.11478	0.1
225.14888	0.1
271.89862	0.1
279.23370	0.2
280.23865	0.2
293.21225	0.2
295.22864	0.6
325.76337	0.1
329.23325	0.2
343.24850	0.4
451.70178	0.1
619.23285	0.1
788.50891	0.5
789.40405	0.5
789.51294	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85978	0.1
61.98829	100.0
62.98539	0.1
69.21695	0.1
71.01397	0.2
74.10616	0.1
78.49133	0.1
78.95902	0.8
79.95737	0.2
80.96511	0.8
86.17164	0.1
94.98066	0.2
142.15700	0.1
152.99590	0.3
171.10269	0.4
197.11778	0.2
225.11378	0.2
229.74774	0.2
255.23257	0.3
277.21793	0.3
278.22229	0.2
279.23352	0.2
281.24835	0.2
293.21286	0.2
295.22803	0.3
311.22534	0.2
681.15375	0.1
788.50781	0.5
789.41266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.4
57.03453	0.7
59.01380	100.0
60.01713	1.5
69.33928	3.6
71.01384	8.5
72.99327	0.5
73.02946	3.3
76.92510	0.4
83.01394	1.5
85.02952	3.1
89.02445	5.2
95.01383	1.2
96.96011	0.5
99.00891	0.4
101.02443	7.2
108.02204	1.3
109.02982	0.9
113.02443	4.1
119.03502	2.6
121.03036	0.5
122.03728	4.4
124.01672	0.5
125.02450	0.7
131.03516	0.6
135.04530	4.9
136.01662	1.6
143.03452	0.9
159.02945	0.6
161.04558	2.7
161.05942	0.4
163.07625	1.0
165.09207	29.2
166.09506	1.6
179.05635	0.7
189.05577	0.7
191.07129	36.0
192.07478	2.5
194.22943	0.4
205.77608	0.4
209.08185	77.5
210.08513	4.2
255.02744	0.8
331.17599	5.7
332.17917	0.6
348.15839	0.5
371.13449	43.2
372.13828	4.0
373.13925	0.9
373.18646	17.8
374.18994	1.6
417.08255	0.7
494.09869	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
61.98829	100.0
62.98531	0.3
66.98499	0.1
68.62666	0.1
69.03442	0.1
71.01384	1.5
73.02950	0.1
76.60681	0.1
78.95913	0.7
78.98588	0.1
83.05044	0.1
85.02966	0.2
87.00875	0.2
92.47552	0.1
97.02965	0.2
101.02461	0.2
109.06620	0.2
113.02483	0.2
119.08692	0.1
121.02956	0.2
122.65266	0.1
125.02502	0.1
125.09760	0.2
139.64896	0.1
146.53375	0.1
152.99577	0.2
163.11284	0.2
169.01398	0.2
171.10258	1.3
181.12335	0.2
197.11858	0.5
198.12170	0.1
199.13493	0.2
201.11334	0.2
207.10240	0.6
209.11839	0.6
210.12239	0.2
211.13423	0.6
225.11317	0.8
226.11690	0.1
227.12938	0.3
229.12245	0.1
229.14384	0.1
235.08453	0.2
241.14532	0.2
253.09204	0.5
291.19681	0.3
303.43683	0.1
309.20758	0.4
310.20847	0.1
320.09637	0.1
327.21875	0.8
339.36365	0.1
341.23431	0.3
342.23853	0.3
461.20108	0.2
483.55545	0.1
771.42529	0.1
788.44440	0.2
789.44891	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.444
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10463	0.1
61.98829	100.0
62.98535	0.2
63.61473	0.1
63.99248	0.4
71.01373	0.2
75.87006	0.1
78.95908	0.8
79.95778	0.2
80.96521	0.9
88.67340	0.2
91.64214	0.1
96.96889	0.2
98.20667	0.3
110.98578	0.2
152.99611	0.4
171.10237	0.3
195.13878	0.2
204.16367	0.2
225.11327	0.2
295.22943	0.4
311.22580	0.2
427.10056	0.2
525.16486	0.2
633.62872	0.2
788.39075	0.3
788.51788	0.2
789.40417	0.5
789.51941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.8
59.01377	19.1
60.99311	8.6
61.98830	100.0
66.44146	3.3
68.99843	3.7
69.03482	3.1
71.01381	65.9
71.05015	3.1
71.70251	4.0
75.39532	3.2
78.95911	42.0
81.03472	6.4
82.01189	3.1
83.01387	4.7
83.04997	7.7
85.02966	8.6
87.00885	33.5
88.98798	35.4
89.02440	15.3
95.05056	4.6
97.02979	9.8
97.06604	5.6
101.02434	13.2
104.40697	2.8
109.06618	19.8
111.08125	4.2
113.02502	4.5
125.02465	9.8
125.09736	7.1
129.01945	6.2
135.08177	5.1
152.99583	12.5
163.11288	15.2
165.12766	6.0
169.01401	12.4
169.12372	4.8
171.10268	49.8
181.12326	9.3
185.11882	5.3
195.13908	5.3
197.11858	16.6
199.13400	6.8
201.11328	13.6
205.08780	4.9
207.10234	44.8
209.11821	79.8
210.12125	14.0
211.13425	7.3
213.11386	3.6
215.12976	4.1
223.09799	9.4
223.13419	8.7
225.11320	45.6
227.12888	11.8
235.08144	8.5
239.55212	3.3
243.12300	5.0
247.20804	3.8
253.09291	25.8
275.19998	3.5
289.18103	6.7
291.19626	39.5
293.21216	39.8
294.21619	4.0
309.20557	14.5
327.21866	14.8
341.23129	10.3
343.24976	4.6
445.20172	3.8
461.20294	12.5
475.86050	3.3
737.41827	5.0
738.42389	3.2
755.42499	4.7
769.40082	4.2
787.44116	34.5
788.44470	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	787.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.3
57.03435	0.5
58.23413	0.3
59.01376	4.9
59.03332	0.3
61.98832	2.0
67.25940	0.3
68.15823	0.3
69.03448	1.1
70.25768	1.2
71.01390	4.3
72.56346	0.3
72.99290	0.4
73.02956	0.8
80.02681	1.4
81.03456	1.4
83.01376	0.6
83.05029	4.9
84.02159	2.6
85.02951	1.2
87.00858	1.5
87.35299	0.3
89.02448	2.8
95.05009	0.8
96.96013	3.7
96.96953	0.5
97.02943	0.8
97.06590	5.4
99.04529	1.4
101.02442	3.7
109.06599	0.6
113.02446	1.9
119.03489	1.1
125.02496	0.4
125.06055	0.4
125.09703	1.1
127.11299	0.5
133.05083	0.4
135.08186	0.9
137.09720	0.8
138.60197	0.3
143.03494	0.3
145.04987	0.4
161.04564	1.9
163.11302	4.4
165.12836	2.9
171.10257	9.5
172.10620	0.6
175.11359	0.3
179.05563	0.7
181.12303	0.7
185.11911	0.7
186.48273	0.3
191.10736	1.2
193.12329	7.1
194.12648	0.6
197.11816	0.5
209.11824	100.0
210.12166	7.0
211.13414	2.1
215.12859	0.5
221.11812	0.5
225.11374	0.8
225.14975	11.2
226.15343	0.7
227.12883	10.4
228.13199	0.7
235.08215	5.1
242.52220	0.3
243.16020	5.1
244.16473	0.4
253.09285	13.4
253.14510	0.6
254.09621	0.6
291.19598	1.3
305.21185	0.7
309.20773	0.4
323.22226	0.8
325.20203	0.7
341.23309	59.6
342.23651	7.8
420.16898	0.4
445.20609	1.6
461.20532	0.4
533.34576	2.0
577.32452	1.3
787.42419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.5
57.03451	0.8
59.01377	5.3
61.98830	5.7
69.03439	1.1
71.01383	4.0
73.02958	0.6
79.39395	0.4
80.02679	1.3
81.03460	1.4
83.01375	1.1
83.05020	5.3
84.02160	3.4
85.02944	1.2
87.00862	2.5
89.02438	3.6
95.05042	1.1
96.96007	1.7
97.02959	1.3
97.06575	4.4
98.20681	0.9
99.04507	1.0
101.02444	4.0
109.06602	0.8
113.02477	2.2
119.03497	0.8
125.06080	0.6
125.09749	1.2
127.11307	0.4
135.08122	1.1
137.09674	0.8
143.03464	0.4
151.11230	0.5
161.04576	1.6
163.11288	4.2
165.12848	1.7
169.01430	0.4
169.12466	0.4
171.10269	12.8
172.10541	0.5
175.11273	0.4
179.05629	0.7
181.12386	0.8
185.11763	0.5
191.10728	0.9
193.12337	5.9
194.12605	0.4
196.50603	0.4
197.11848	0.8
199.13383	0.4
201.11339	1.3
203.40031	0.4
207.10277	0.6
209.11818	100.0
210.12148	6.8
211.13432	1.7
221.11711	0.4
225.11359	1.4
225.14952	9.1
226.11743	0.4
227.12894	10.5
235.08205	4.6
243.15971	3.7
253.09265	15.2
254.09570	0.7
285.19052	0.4
289.18240	0.4
291.19699	1.4
305.21140	0.8
323.22363	1.1
325.20236	1.8
327.21625	0.5
341.23309	63.0
342.23724	6.1
391.30176	0.4
445.20850	1.1
462.75867	0.4
528.37469	0.4
533.34753	2.2
534.35773	0.4
551.35516	0.6
577.32202	1.3
787.41705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.2
61.98837	14.9
68.99557	2.9
70.88013	1.5
71.01389	19.2
73.02937	2.1
78.95882	1.6
81.03460	2.7
83.01392	1.5
83.05037	5.2
85.02972	2.0
87.00900	3.9
89.02458	6.3
96.67129	1.7
97.02936	2.0
97.06580	1.7
101.02443	6.5
111.08180	8.5
111.08841	1.6
112.98570	1.9
113.02496	3.8
125.02477	2.5
125.09736	4.0
127.11305	1.7
145.92213	1.5
160.46989	1.3
161.04568	3.2
163.11316	4.6
165.12862	2.6
169.01456	3.0
169.12338	34.6
170.94023	1.5
171.10265	19.4
171.65955	1.5
179.05547	1.7
179.10736	1.7
183.13846	1.9
185.11819	2.5
197.11830	47.1
197.13576	3.2
198.12199	2.0
199.13351	5.0
201.11302	4.2
207.10318	4.2
209.11835	100.0
210.12222	6.9
211.13391	8.8
223.09590	2.3
225.11305	3.1
227.12856	18.2
235.08269	11.3
253.09245	21.3
263.20300	2.0
267.25693	1.5
279.25726	1.7
289.18146	3.6
291.19629	22.2
307.19284	2.9
309.20697	57.6
309.24231	3.2
310.21036	6.8
341.23404	3.2
405.21582	3.2
545.30408	2.6
741.40576	2.3
787.41455	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.8
57.03448	2.3
59.01380	9.0
61.98830	100.0
62.98506	1.1
63.99255	3.2
68.99580	1.7
69.03458	5.6
69.85107	4.0
71.01380	9.0
71.04642	0.7
71.05036	2.6
72.99309	1.0
73.02946	2.4
78.95933	1.4
79.95741	1.7
80.96511	2.2
81.03448	1.3
82.95428	2.0
83.01396	1.7
83.05036	2.3
85.02947	5.0
87.00885	1.4
89.02446	4.1
90.39789	0.8
94.98119	1.0
95.05030	1.8
96.96008	15.3
96.96967	1.5
97.02949	2.3
97.06596	3.5
98.20586	1.0
101.02431	6.0
109.06609	1.8
112.98583	1.5
113.02462	3.7
116.92815	0.9
119.03519	1.6
123.08176	1.5
125.02458	3.8
125.09735	2.1
127.11334	1.2
132.03067	0.9
137.09689	0.9
149.09747	1.1
151.11339	2.6
155.10811	0.8
161.04581	2.2
161.09758	2.9
163.11290	1.5
165.12900	1.6
167.14442	0.9
169.01389	3.9
171.10274	17.2
179.10751	5.8
181.12241	1.1
183.13918	1.9
185.11829	1.2
193.12344	1.7
197.11835	59.6
198.12198	4.1
201.11320	3.0
207.10292	2.1
209.11830	24.2
210.12204	2.2
211.13345	9.7
213.36415	0.8
221.11821	2.5
223.09795	1.8
225.11406	4.9
225.15038	0.9
227.12898	4.0
229.14442	6.4
235.08133	1.5
239.12845	1.8
241.10835	3.0
242.46223	0.8
253.09293	7.5
273.17062	1.5
291.19678	2.3
325.20200	2.6
327.21786	14.6
328.21890	1.5
341.23297	8.8
456.12231	0.9
461.20306	1.1
533.71387	0.9
769.39532	1.6
787.41296	85.7
788.41559	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	787.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.4
57.03430	3.5
58.00588	1.7
59.01379	19.8
61.98827	33.0
64.51617	1.1
68.99856	1.3
69.03449	2.8
71.01381	100.0
72.00764	1.1
72.01738	1.4
72.99294	4.0
73.02925	4.9
75.00875	1.5
78.27094	1.2
78.95933	3.0
80.52982	1.3
81.03464	2.0
83.01362	2.6
83.05004	3.4
85.02943	5.8
87.00340	2.0
87.00876	36.5
88.00449	1.2
89.02454	7.9
95.01443	1.3
95.05009	3.0
97.02950	7.6
97.06584	4.3
99.00911	1.5
101.02440	8.9
109.02945	1.7
109.06591	9.2
111.04501	4.9
111.08180	2.0
112.98586	1.6
113.02442	4.2
113.20589	1.4
119.03483	1.7
122.03689	1.3
123.04491	3.2
123.08169	1.9
125.02424	4.3
125.06105	1.9
125.09705	11.2
127.11299	3.1
135.08113	2.4
136.05136	1.4
137.09715	2.4
143.03477	1.8
149.09647	1.8
151.11292	3.2
152.99504	1.7
153.09177	1.9
154.69870	1.3
155.10732	3.1
161.04510	3.4
161.09705	4.8
163.11313	8.6
165.12782	3.1
167.10744	2.6
169.01375	3.4
169.12329	3.2
171.10274	52.8
172.10591	3.3
177.09149	2.3
179.10764	4.4
181.12315	5.2
183.14003	1.2
185.11823	8.6
187.09689	2.7
191.14374	2.6
193.12343	1.7
197.11824	9.7
199.09680	4.1
199.13457	3.9
201.11333	25.8
205.08690	5.5
207.10258	18.0
208.10509	1.6
209.11823	20.1
210.12263	1.5
211.13440	9.3
212.13858	1.3
213.11278	5.3
215.12837	4.5
221.11888	1.5
223.09764	13.9
224.86269	1.4
225.11333	24.8
226.11737	1.9
227.12891	7.6
229.10341	1.3
232.03183	1.4
235.08199	4.1
243.12340	3.1
245.19063	4.6
253.09309	15.5
259.15497	3.8
289.18082	16.1
290.18103	2.1
291.19647	13.6
307.19165	8.0
309.20660	15.4
341.23294	9.0
405.18204	1.3
445.20969	1.5
461.20010	1.9
479.21283	1.5
746.83124	1.5
751.38684	1.5
769.39746	2.7
787.42560	7.4
788.41180	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	787.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18058	4.7
57.03430	5.9
59.01383	23.4
61.98831	100.0
71.01379	50.6
71.50054	6.2
78.95898	38.5
81.38179	3.9
83.05015	4.7
87.00882	14.0
89.02432	9.8
97.02943	4.2
97.06542	5.5
101.02474	8.0
109.06593	12.7
113.02470	6.3
119.03487	3.9
123.97147	4.4
125.02404	10.7
125.09698	5.3
134.68828	3.9
152.99606	12.1
163.11327	6.8
169.01395	10.5
169.12320	8.4
171.10268	38.0
175.76758	3.7
179.10718	4.1
181.12401	6.1
183.13930	16.4
197.11835	26.8
199.13416	8.1
201.11336	4.7
207.10268	28.1
209.11819	38.2
210.12015	3.7
211.13393	31.6
212.13538	5.0
223.05536	3.9
223.09746	10.9
223.13411	15.6
225.11272	28.1
227.12865	12.2
235.08226	7.1
241.24918	4.2
253.09372	20.4
289.18265	8.8
291.19540	11.6
293.21158	13.8
307.19199	6.3
309.20667	20.7
311.22391	6.6
325.19897	6.5
327.21744	13.0
341.23300	11.1
748.42627	4.9
787.42493	27.4
788.41956	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	787.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01878	0.6
69.03477	1.2
69.16509	5.5
69.16929	1.9
71.01389	2.3
72.29673	0.8
72.99321	0.9
79.01882	1.1
81.03483	1.0
85.02961	1.7
95.01395	3.1
97.02949	2.3
98.20695	1.1
101.02448	1.5
106.70647	0.8
107.01392	7.2
111.00882	1.6
113.02452	1.9
123.00890	10.8
124.01670	1.8
125.02444	75.5
126.02757	3.8
128.11304	0.7
136.98767	1.2
137.02469	1.5
139.00342	4.0
140.01134	2.5
143.03519	1.3
145.22780	0.7
149.02519	1.0
151.00369	3.9
153.02095	1.1
161.02423	0.7
165.01990	0.9
166.99869	3.6
168.00656	6.5
169.01416	100.0
170.01746	4.7
175.03938	1.0
179.03482	1.5
181.01434	1.4
183.02972	0.7
185.02498	0.7
191.03415	1.5
192.99831	0.8
193.01363	4.1
201.01874	0.8
203.03372	1.0
205.01442	1.6
207.02983	1.3
211.02492	5.5
215.03267	0.9
223.02487	1.2
230.01776	0.9
232.03404	0.8
235.02391	1.5
241.03500	1.3
249.03893	2.2
250.04330	0.8
271.04559	2.4
275.01889	3.2
276.02295	2.0
277.03455	1.7
295.04593	6.6
297.06000	0.8
300.99896	8.1
302.00211	4.7
303.00363	3.2
313.05615	13.4
314.05936	1.0
321.02502	1.1
347.01456	0.7
402.54752	0.7
408.66138	0.7
423.05737	1.3
447.05688	2.7
465.06693	34.4
466.07080	3.1
483.07886	4.2
617.07782	18.6
618.08057	1.5
634.07239	0.9
635.08716	19.7
636.08911	3.4
733.57446	0.8
787.09814	30.2
788.10156	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	787.1003
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
60.69082	0.7
61.48858	0.6
67.01888	1.7
67.48095	0.7
69.03448	2.1
69.80400	3.9
70.12288	0.7
71.01386	2.1
75.02000	0.6
79.01903	1.9
79.19806	0.7
81.03453	0.7
85.02976	1.6
95.01383	2.7
97.02958	2.1
98.20642	0.9
101.02488	1.3
107.01404	5.8
111.00906	2.2
113.02481	1.1
123.00887	9.4
124.01678	1.2
125.02454	84.7
126.02798	3.2
129.37096	0.7
136.98784	1.3
137.02454	0.9
139.00407	3.7
140.01198	3.4
143.03581	0.9
149.02425	1.0
151.00412	2.2
151.04068	1.0
161.02501	0.9
165.02019	0.9
166.99873	2.6
168.00630	6.1
169.01430	100.0
170.01743	4.5
177.01999	0.9
179.03474	1.6
181.01459	1.1
191.03554	1.3
193.01447	2.6
201.94096	0.7
205.01466	1.5
207.03032	1.1
211.02415	4.3
235.02441	1.4
241.03540	1.1
271.04633	2.4
277.03427	1.1
295.04651	6.3
300.99936	1.6
313.05621	9.6
447.05716	2.0
465.06857	10.7
466.06952	1.8
483.07907	2.5
617.07751	17.1
618.08521	3.5
621.23419	0.9
635.08862	20.8
636.09454	3.9
662.51343	0.8
787.09991	29.4
788.10028	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	787.0996
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
56.11560	0.7
59.01395	0.8
66.79195	0.8
67.01874	1.0
69.03445	1.3
69.40332	3.3
69.40757	2.6
71.01382	2.2
79.01911	1.2
81.03474	0.9
83.01405	1.1
84.12164	0.6
85.02959	1.7
85.27988	0.7
85.29499	0.7
95.01404	4.2
97.02940	2.3
101.02449	0.8
107.01398	6.9
111.00900	2.3
113.02425	0.9
121.02934	1.0
123.00898	11.3
124.01655	1.8
124.71962	0.8
125.02448	81.9
126.02792	3.6
127.83340	0.7
136.98828	1.1
139.00381	3.3
140.01189	3.6
141.01854	0.9
143.03511	0.8
149.02438	1.3
149.12335	0.8
151.00362	2.5
151.03947	1.2
155.36305	0.8
161.02480	1.3
166.50293	0.9
166.99840	3.1
168.00609	6.1
169.01419	100.0
170.01743	4.9
177.01949	1.2
179.03500	1.1
181.01215	0.9
193.01387	2.5
205.01372	1.9
206.58878	0.8
207.03056	0.9
211.02463	5.7
221.00673	0.9
235.02496	1.5
241.03639	1.2
271.04700	3.7
277.03397	1.0
295.04520	3.8
313.05695	11.7
447.05621	2.5
465.06677	11.5
466.06863	1.4
483.07712	4.1
617.07788	18.6
618.08142	2.9
635.08948	9.2
636.08972	1.3
695.28577	1.2
787.10010	28.6
788.09918	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	786.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.98830	100.0
70.64249	0.3
70.64594	0.2
71.01385	0.8
78.95912	1.1
80.76575	0.1
85.83942	0.2
89.02443	0.2
95.05056	0.1
109.06566	0.3
125.02438	0.3
152.99626	0.4
159.55438	0.1
163.11313	0.3
171.10277	0.5
201.11368	0.2
207.10315	0.4
209.11842	1.8
223.13461	0.1
225.11293	0.3
227.12988	0.2
241.14502	0.2
253.09328	0.2
270.07901	0.2
277.21643	0.8
291.19791	0.2
300.02600	0.2
343.24820	0.2
369.51529	0.1
385.10449	0.2
712.42334	0.9
713.42456	0.2
787.43011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.2
59.01379	1.9
59.83543	1.0
67.01862	1.9
68.58797	1.2
69.45689	3.7
69.46100	4.7
71.01382	4.7
79.01908	1.9
83.01392	2.5
85.02954	3.6
86.61942	1.2
87.00886	1.6
91.94044	1.4
95.01383	2.6
96.96002	1.9
97.02941	2.1
100.72034	1.2
101.02444	5.8
107.01392	9.7
109.02906	2.2
111.00889	2.2
111.64430	1.1
113.02443	5.8
118.51346	1.2
123.00904	13.8
124.01643	2.8
125.02444	67.9
126.02730	3.0
137.02486	1.2
139.00351	6.3
140.01129	3.6
141.01950	1.5
143.03484	2.0
149.02435	1.6
151.00366	10.6
151.03986	1.6
161.02411	4.9
163.03970	1.8
166.99809	3.0
168.00655	5.7
169.01419	100.0
170.01740	4.2
177.01926	1.8
179.03564	7.6
191.03468	1.3
193.01297	3.6
207.02994	2.2
211.02434	2.9
229.04967	3.0
235.02533	2.6
255.02740	1.5
257.04379	1.5
285.03976	9.5
295.04636	4.7
313.05621	39.9
314.05780	2.8
346.45139	1.3
421.08139	5.9
424.47363	1.2
463.61685	1.4
465.06714	97.4
466.07007	11.6
599.10449	3.8
617.07819	2.3
751.11450	23.9
752.11829	4.9
787.31482	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	785.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.2
59.01110	1.0
59.01380	11.3
61.98832	13.1
69.03448	1.3
69.79676	0.8
71.01378	7.0
73.02954	1.0
73.29718	0.7
73.44875	0.8
74.71173	0.8
75.00884	1.2
83.01405	1.3
83.05024	0.9
84.02164	1.2
85.02956	1.7
87.00834	1.4
89.02434	3.8
97.02963	2.2
97.06544	1.3
98.19856	2.1
101.02448	5.2
109.06612	6.4
111.08155	3.6
113.02413	2.5
116.92890	1.9
119.03469	1.4
121.02962	28.2
123.08116	1.0
125.02409	1.5
125.09715	1.9
161.04507	1.7
163.11287	4.5
165.12825	1.1
169.01395	1.5
169.12312	6.8
171.10252	6.8
179.10713	1.9
181.06528	1.1
193.12343	2.1
195.13893	1.2
197.11826	100.0
198.12184	6.5
199.13336	1.3
207.10257	12.6
209.04556	18.7
209.11810	10.0
211.13380	4.3
223.09653	1.3
223.13377	4.3
225.11327	8.8
225.14938	2.0
227.12929	2.6
235.08231	4.6
247.20720	1.2
253.09270	15.2
263.19925	1.0
291.19678	13.8
292.19885	1.8
293.21100	3.0
309.20718	32.5
310.21005	3.3
341.23306	11.9
342.23541	1.7
343.24893	3.1
368.61432	0.9
401.08682	2.9
433.20883	4.2
461.20285	2.0
545.29626	1.7
563.27472	0.9
706.10870	1.1
785.43127	5.7
786.42975	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	785.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.6
57.03450	1.7
57.88932	0.6
59.01377	16.5
61.98836	16.3
67.01890	1.0
68.99797	0.7
69.03464	2.5
71.01385	10.2
71.05004	1.0
71.73438	0.6
72.99313	0.9
73.02947	2.5
78.95896	1.6
80.02684	1.5
81.03455	4.0
83.01398	2.3
83.05036	5.1
84.02167	5.4
85.02956	3.5
87.00866	4.5
89.02447	6.7
89.37395	0.6
93.03448	0.9
95.01369	1.2
95.05025	2.0
96.96021	17.2
96.96922	1.4
97.02945	10.7
97.06581	9.1
98.20652	1.8
99.00876	3.9
99.04491	1.7
101.02442	8.1
106.04259	0.9
107.05020	1.0
109.06593	33.1
110.03698	1.3
110.06940	1.4
111.00865	1.6
111.04527	1.6
113.02469	4.3
116.92845	2.0
119.03477	1.4
119.08639	0.8
121.06599	1.9
125.02431	1.9
125.06051	0.9
125.09737	4.4
135.08179	4.4
136.05299	1.5
137.09724	2.2
142.02713	3.1
145.05104	1.8
146.50854	0.8
153.09245	1.1
155.10820	0.8
161.04575	4.0
161.09702	3.0
163.11285	21.9
164.11533	1.1
165.12883	0.9
169.01401	2.7
169.12302	1.2
171.10263	23.1
172.10585	1.7
179.05550	0.9
179.10760	1.7
181.12386	5.8
185.11792	2.0
189.09222	2.4
193.12335	9.0
197.11821	2.7
198.67474	0.7
199.09801	1.0
201.11392	1.2
205.08664	0.9
207.10252	92.3
208.10623	5.5
209.11819	13.1
210.12236	0.9
211.13353	6.7
213.11311	1.1
221.11819	0.9
223.09799	1.8
225.11328	45.5
225.14809	15.5
226.11703	2.4
227.12877	1.7
228.41060	0.7
235.08260	7.8
239.12808	1.1
241.14456	3.0
243.12332	2.6
243.16022	6.6
244.16472	0.8
253.09268	22.5
253.14478	1.1
254.09680	1.0
287.16614	1.2
289.18137	1.4
291.19604	3.4
299.14883	1.2
300.99854	1.0
305.17700	1.6
305.21039	1.1
307.18994	1.0
309.20831	2.7
311.21936	0.9
321.20892	1.2
323.22583	1.5
341.23294	100.0
342.23654	12.9
404.66745	0.8
427.09055	0.8
443.18994	4.3
461.20218	14.0
462.20544	1.0
479.20694	0.7
505.34827	1.2
531.33069	2.2
549.34485	1.7
577.32220	3.1
745.82831	0.8
767.42175	3.3
785.43201	38.4
786.43634	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	786.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59340	0.2
61.98831	100.0
63.69513	0.1
63.99255	0.4
71.01382	0.2
78.95927	0.4
79.95732	0.1
80.96510	0.7
82.96092	0.3
94.98096	0.2
98.19869	0.3
100.49519	0.1
111.71497	0.1
116.92871	0.2
152.98500	0.2
229.05081	0.1
243.93269	0.1
277.21771	0.2
329.54477	0.1
341.23450	0.1
356.05856	0.2
575.76660	0.1
577.96875	0.1
629.96167	0.1
782.27057	0.2
786.42212	0.5
787.39557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32695	0.1
58.28572	0.1
61.98829	100.0
62.98524	0.2
63.14107	0.1
70.24673	0.4
80.96504	0.1
83.37153	0.1
90.54546	0.1
103.72539	0.1
122.62080	0.1
401.17227	0.1
704.89105	0.1
748.47906	0.1
798.52374	0.1
814.58185	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.1
61.98828	100.0
62.98531	0.2
68.48222	0.1
71.01381	0.2
78.95911	0.3
78.98624	0.1
79.95733	0.2
80.96510	1.2
94.75452	0.1
94.98089	0.3
98.20749	0.1
101.17699	0.1
106.98071	0.1
122.97607	0.1
134.97581	0.1
147.93515	0.1
148.99191	0.1
164.98627	0.2
171.10298	0.1
209.11957	0.2
211.13373	0.1
225.00809	0.3
277.21686	0.1
293.21234	0.1
294.98636	0.1
295.22885	0.3
311.22391	0.2
781.40594	0.1
786.49609	0.3
787.39032	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	786.376
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81712	0.1
59.01378	0.3
59.29229	0.1
60.11811	0.1
61.98829	100.0
62.98529	0.2
69.18185	0.4
69.18610	0.5
71.01372	0.2
73.87251	0.1
78.95908	0.4
79.95744	0.2
80.96517	0.6
85.71352	0.1
88.98836	0.1
94.38066	0.1
96.96010	1.0
96.96967	0.3
98.19947	0.2
101.02449	0.1
105.76984	0.1
107.01350	0.1
123.00900	0.2
125.02459	0.5
129.90443	0.1
130.08792	0.2
169.01476	0.7
194.68678	0.1
201.11430	0.1
206.99780	0.1
209.11742	0.5
210.12167	0.2
270.23663	0.1
320.88263	0.1
371.18234	0.1
483.18423	0.1
507.00867	0.1
637.96570	0.1
786.34558	0.4
787.34125	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.5
61.86374	2.1
61.98833	80.1
69.03465	4.1
69.41202	4.7
69.41607	15.4
69.54093	2.1
71.01385	15.9
78.95895	12.5
83.05030	5.5
84.02190	3.0
85.02915	2.5
88.98830	2.6
89.02430	6.3
95.05114	2.1
97.02940	10.4
97.06602	7.8
101.02457	8.4
103.68244	2.1
107.42841	2.5
109.06590	33.6
113.02447	4.5
121.06606	4.0
125.09682	3.3
129.09587	2.0
135.08131	6.0
142.02737	3.0
152.99548	5.3
161.04568	2.6
163.11290	21.0
167.42308	3.0
171.10255	21.8
181.12337	3.7
188.78114	2.3
189.09225	2.7
193.12312	10.2
197.11858	3.0
207.10260	92.9
208.10576	3.9
209.11884	14.7
211.13358	5.3
222.48357	2.6
225.11345	38.0
225.14775	14.5
235.08170	9.2
243.16022	6.1
253.09299	24.1
277.21741	4.1
289.17972	2.7
291.19614	3.2
293.21246	4.1
341.23303	100.0
342.23572	13.4
461.20300	9.1
577.31976	4.2
785.43317	33.2
786.43500	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	784.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
66.00033	0.1
96.96043	0.2
98.20696	0.2
150.28128	0.1
209.11926	0.2
502.15741	0.1
559.41321	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	784.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.98537	0.2
68.99580	0.1
71.01403	0.2
80.96527	0.5
96.96053	0.3
98.19858	0.2
123.42784	0.1
125.02489	0.2
125.39751	0.1
169.01485	0.2
171.10353	0.3
207.07204	0.1
207.10318	0.2
209.11815	0.2
211.13316	0.1
225.00635	0.1
225.11411	0.3
232.51059	0.1
652.73816	0.1
784.38794	0.1
785.37677	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20956	0.1
59.01375	0.3
61.98829	100.0
62.98531	0.3
71.01384	0.3
78.95939	0.1
83.05039	0.1
85.02932	0.2
88.98800	0.2
95.58878	0.1
96.96012	0.4
97.02979	0.1
98.20747	0.2
101.02449	0.3
104.87708	0.1
107.04261	0.1
109.06498	0.2
113.02461	0.2
125.02468	0.2
126.90472	0.2
145.04980	0.1
163.11287	0.2
169.01395	0.3
171.10210	0.7
207.10295	0.4
209.11899	0.5
211.13356	0.3
221.11858	0.4
225.11308	1.2
227.12906	0.1
235.08237	0.2
239.12955	0.2
253.09389	0.4
327.21866	0.5
341.23157	0.6
367.90320	0.1
461.20078	0.1
480.03806	0.1
617.61542	0.1
785.42383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22658	0.1
59.01380	0.2
61.98830	100.0
62.98535	0.1
63.28121	0.1
71.01385	0.2
72.84207	0.1
78.95895	0.2
78.98608	0.2
79.95749	0.3
80.96514	2.4
80.96960	0.2
82.96109	0.1
94.98077	0.4
118.77207	0.1
125.02467	0.1
134.97620	0.1
142.35979	0.1
148.99179	0.1
152.99731	0.1
164.98653	0.3
209.11858	0.5
225.00734	0.5
225.11453	0.1
227.12819	0.1
259.07269	0.1
277.21738	0.5
278.22226	0.3
279.22946	0.1
295.22861	0.2
309.20831	0.1
469.17859	0.1
740.40344	0.1
783.42175	0.2
784.42120	2.9
785.41968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.1
61.98828	100.0
62.98539	0.3
71.01390	0.2
73.07146	0.1
78.95908	0.2
78.98607	0.2
79.95757	0.3
80.96510	2.0
80.96958	0.2
82.28240	0.1
82.96100	0.2
87.00917	0.1
94.98100	0.4
99.92646	0.1
116.92857	0.4
127.37782	0.1
164.98714	0.2
175.43660	0.1
209.11926	0.2
225.00789	0.4
277.21707	0.1
295.61594	0.1
467.78381	0.1
784.41882	1.9
785.42218	0.5
793.63373	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	785.0843
Annotation	Tercatain
Peak:m/z	Relative Intensity
57.84763	0.5
62.51015	0.6
67.41961	0.5
69.61565	3.8
91.58717	0.6
95.01400	2.7
107.01423	1.7
117.03423	0.8
119.05029	0.9
123.00883	4.5
125.02453	11.9
129.03473	0.6
133.02904	0.6
135.04489	0.7
145.02948	1.5
147.04556	1.6
150.32533	0.6
157.02960	0.8
158.03760	0.6
159.04544	2.1
161.02477	1.5
163.04008	1.5
164.04842	0.8
169.01418	9.9
173.02403	3.7
175.03932	3.4
177.01953	1.8
185.02444	3.2
187.04007	1.1
189.01875	1.2
190.02678	0.9
191.03442	3.0
201.01926	5.1
203.03522	7.1
205.01404	0.7
213.01964	0.8
214.02583	0.6
217.01434	1.3
219.02963	1.4
221.04456	0.8
227.00009	0.7
229.01405	10.8
230.01935	2.0
231.02995	10.1
245.00882	4.7
246.01517	1.0
247.02472	2.7
248.03320	4.1
249.04044	16.7
250.04362	1.0
257.00955	9.7
258.01581	3.7
273.00461	5.0
274.01178	2.7
275.01959	43.3
276.02322	3.8
283.99667	2.3
291.01477	1.8
299.99149	2.6
300.99884	100.0
302.00186	8.9
302.55801	0.7
313.05649	0.8
419.06061	2.4
445.04089	0.9
463.05154	2.1
465.06400	0.9
589.08533	1.1
615.06219	2.6
624.82111	0.7
633.07263	23.1
634.07825	3.5
785.08356	24.8
786.08380	5.5
789.42755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21239	0.3
57.31548	0.2
69.58418	2.0
71.01363	0.3
77.60809	0.3
83.01428	0.3
98.19873	0.3
111.00868	1.7
124.01579	1.4
125.02521	0.6
127.00379	0.5
136.98814	1.2
138.00716	0.3
139.00368	1.5
140.01184	2.9
146.03940	0.3
146.50456	0.3
149.17805	0.3
168.00644	5.1
169.01376	0.9
173.51775	0.3
180.74205	0.4
183.02986	100.0
184.03311	5.2
237.88052	0.3
285.03918	0.7
300.99738	0.3
335.04071	15.7
336.04367	1.7
394.17279	0.3
447.09259	0.6
469.04807	0.5
526.41107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	3.8
61.98833	7.0
63.96230	2.3
69.03462	0.9
69.29387	4.4
69.29798	1.7
71.01386	9.5
73.02922	2.4
76.20273	0.7
78.95898	3.7
78.98589	7.0
79.95746	15.7
80.96520	84.0
81.95305	0.8
82.96117	3.9
82.96906	0.8
85.02960	3.0
87.00879	2.0
94.98093	18.1
96.96022	1.7
96.97652	0.9
97.02968	1.5
99.00888	1.0
100.21112	0.8
101.02432	2.9
106.98083	4.0
122.97625	3.9
125.02441	3.1
127.03970	0.9
134.97589	6.8
136.99132	1.3
138.10530	0.7
143.03468	0.8
148.99164	7.4
152.98636	6.9
164.98654	13.4
169.12393	0.9
171.52176	0.8
182.26213	0.8
185.11830	2.4
199.13403	4.9
206.99663	2.2
209.11809	2.7
224.98686	1.5
225.00749	23.2
225.11391	1.8
227.12910	3.1
228.42633	0.8
253.09241	0.8
255.23273	2.8
277.21756	12.1
279.23264	4.3
283.04898	0.9
483.15436	1.9
527.17706	1.5
537.27069	1.6
739.39331	3.0
765.40381	4.0
783.41870	100.0
784.42255	26.4
796.18219	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.6
59.01381	6.4
61.98833	4.7
69.03450	3.8
71.01385	6.1
71.05016	1.2
73.02941	1.2
78.95907	0.9
79.74223	0.6
82.95403	0.6
83.01340	0.5
83.05019	1.5
84.02165	2.7
85.02960	1.5
87.00858	1.6
88.98814	0.7
89.02447	3.7
93.03445	0.7
95.05014	1.0
96.96015	6.4
96.96985	0.7
97.02951	1.9
97.06588	4.3
99.04523	1.4
101.02438	4.3
111.08154	0.8
113.02435	1.9
122.80319	0.6
125.02408	1.1
125.09753	1.1
145.05043	1.5
149.09650	0.8
153.09282	1.2
161.04565	3.0
167.10782	3.3
169.01454	0.8
171.10272	11.7
172.10594	0.7
175.11226	0.7
177.12791	1.0
179.10770	1.4
179.14445	3.1
185.11731	1.0
189.62349	0.6
193.12354	6.2
194.12650	0.6
195.13896	10.3
196.14313	0.8
197.11787	1.9
205.12334	10.0
209.11826	1.9
210.12234	0.8
210.26115	0.5
211.13373	1.8
214.69791	0.6
221.11714	1.4
223.13380	100.0
224.13733	8.0
225.11540	0.7
225.14941	8.7
226.15323	0.8
227.12833	0.8
235.08174	9.6
235.47446	0.7
239.12694	0.7
243.16006	4.1
253.09271	15.4
254.09784	1.2
269.67728	0.7
291.19565	2.1
300.99869	0.8
305.21359	0.6
309.20596	1.1
323.22247	1.3
341.23297	75.5
342.23669	8.0
459.22342	12.9
460.22653	2.0
468.96628	0.8
547.36371	2.3
548.36633	0.9
577.32355	1.9
578.32129	1.0
752.39191	0.7
783.43848	1.3
784.39581	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	783.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	13.8
61.98825	27.9
64.01086	1.5
70.35126	3.3
71.01361	4.8
72.35219	1.6
73.02942	1.6
78.95914	2.5
80.96523	2.4
83.05042	2.6
83.95734	1.5
89.02433	3.6
101.02429	4.5
101.35372	1.4
104.58239	1.3
110.06876	1.6
113.02431	2.6
127.06937	1.5
171.10281	1.6
181.12303	2.0
183.13832	5.5
193.12141	1.6
195.13811	4.4
209.11832	11.9
211.13387	100.0
212.13713	4.7
223.09839	2.8
223.13379	3.8
225.11200	1.7
235.08177	4.8
253.09297	16.5
254.09682	1.7
275.20187	4.4
277.21686	10.4
278.22031	5.0
286.16544	2.4
293.21228	58.8
294.21533	6.7
300.99939	5.9
341.23416	2.1
426.61331	1.5
447.22272	7.0
496.70111	1.5
529.29578	1.9
547.52728	1.6
583.23010	1.8
783.43036	4.4
784.46106	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	785.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37469	0.2
56.00615	0.2
58.95696	0.2
59.01382	0.8
61.19648	0.2
61.98833	100.0
62.98524	0.3
63.96229	0.2
64.07174	0.2
69.03436	0.2
71.01389	3.9
71.51779	0.3
72.99285	0.3
73.02957	0.5
73.45752	0.2
76.04411	0.2
78.91887	0.3
78.95911	1.4
78.98615	1.5
79.95741	21.3
80.96522	19.3
81.03468	0.2
85.02983	0.6
87.00885	0.9
88.98846	0.4
89.02482	0.3
94.98087	3.9
94.98679	0.2
96.05431	0.2
96.96024	2.8
96.96981	0.3
97.02946	0.4
101.02474	0.7
102.57414	0.2
106.98110	0.8
107.01410	0.2
109.06618	0.2
111.94667	0.2
113.02474	0.2
122.97610	1.3
123.00893	0.4
125.02485	1.8
133.07162	0.2
134.97585	1.5
136.99113	0.5
137.02444	0.4
148.99156	1.3
152.98654	1.5
159.20277	0.2
161.04610	0.5
164.98634	2.8
169.01418	0.8
171.10201	0.5
206.99658	1.3
207.10223	0.3
209.11844	1.8
210.12137	0.5
225.00768	5.4
239.12773	0.2
241.00177	0.4
243.01794	0.2
244.02245	0.2
283.04788	0.4
299.80215	0.2
300.99942	0.7
335.74625	0.2
341.05368	1.2
355.07230	0.5
391.03140	0.2
397.11972	0.4
425.14990	1.2
507.15439	0.2
541.19824	1.4
569.18915	0.8
583.20355	0.5
613.21741	0.4
623.97839	0.2
641.24615	0.6
653.28094	0.4
669.28229	0.4
681.27380	0.4
683.29205	0.5
739.32117	0.2
752.65234	0.2
767.31653	7.3
768.31903	1.7
785.32678	7.8
786.33228	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	783.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.9
94.43871	2.2
98.19862	5.3
111.00909	2.5
115.50737	2.9
125.02441	6.4
139.00351	4.1
139.07634	4.9
149.51756	2.1
164.00320	2.4
168.00650	2.2
169.01410	7.1
174.12859	2.1
183.02986	100.0
184.03337	2.7
200.37241	2.7
279.12335	4.9
335.04102	12.8
351.73044	2.6
469.05042	4.2
469.55545	6.1
523.63049	2.5
747.23663	2.6
797.09332	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	781.4408
Annotation	lugdunin
Peak:m/z	Relative Intensity
59.01365	0.7
60.78857	0.6
61.37988	0.6
63.96235	1.7
69.03464	0.9
69.45079	0.5
71.01378	8.2
73.02943	2.3
78.98590	6.2
79.95732	15.3
80.96516	82.7
81.03449	0.7
83.01375	1.0
85.02940	2.8
87.00870	2.5
94.98083	18.3
96.96010	1.7
97.02956	1.8
101.02422	2.3
106.98109	3.7
107.80526	0.6
120.19911	0.7
122.97568	3.6
123.28213	0.6
125.02450	2.9
127.04033	1.3
134.97589	5.0
136.99115	1.6
148.99117	8.1
152.98630	7.8
164.98618	13.8
183.14001	0.6
206.99718	3.2
211.13426	1.6
225.00735	20.5
244.80658	0.6
255.23277	1.5
327.69226	0.7
327.73352	0.7
525.20410	3.2
537.27631	1.5
625.96338	0.7
763.39642	1.3
781.44061	100.0
782.44379	25.9
803.66614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98851	1.0
63.41876	0.6
63.96242	2.7
69.03461	0.7
70.16244	0.7
70.16579	2.9
71.01394	9.5
73.02953	1.7
78.98582	7.7
79.95737	15.9
80.96519	92.2
81.03490	1.1
85.02948	3.8
87.00896	3.4
94.98089	20.7
96.96000	1.1
97.02946	2.4
99.00867	0.8
101.02433	2.7
106.98097	3.3
122.97572	4.4
125.02474	4.0
127.04029	1.1
134.97595	7.6
136.59552	0.6
136.99129	2.2
148.99147	8.2
152.98642	6.6
164.98636	14.6
206.99657	3.2
211.13345	2.0
225.00749	21.5
226.01053	1.0
233.66524	0.6
245.11908	0.6
255.23311	1.9
277.52243	0.7
525.20172	2.8
526.20288	0.7
537.27295	2.2
749.41998	1.0
781.44086	100.0
782.44354	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21022	0.1
59.01383	0.2
60.99313	0.4
61.98829	100.0
62.98532	0.2
63.99249	0.2
69.96230	0.4
70.26530	0.1
71.01376	0.2
72.99313	0.2
75.00862	0.2
78.95921	0.2
83.04980	0.1
87.80433	0.1
88.98808	1.8
89.02454	0.3
94.98142	0.2
96.96008	0.7
104.52817	0.1
105.01939	0.2
116.92900	0.1
123.00897	0.1
124.23203	0.1
125.02464	0.2
146.91690	0.1
166.53458	0.1
169.01416	0.2
171.10294	0.2
200.48329	0.1
209.11810	0.6
210.12245	0.1
211.13426	0.2
223.09683	0.1
267.09772	0.1
301.00040	0.1
315.46915	0.1
341.23318	0.2
364.75558	0.1
469.05093	0.1
782.45398	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	782.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
59.17205	0.1
61.98830	100.0
62.98542	0.3
69.70522	0.2
71.01379	0.4
72.99305	0.4
75.00886	0.5
78.95918	0.4
80.96528	0.3
83.05018	0.2
88.98805	1.6
94.64745	0.2
96.95998	0.3
98.19857	0.3
101.02472	0.2
112.89424	0.2
113.02511	0.2
121.52097	0.2
122.35686	0.1
125.02418	0.3
151.87178	0.1
163.11259	0.2
169.01419	0.5
171.10327	0.5
183.25067	0.2
207.10324	0.2
209.11844	2.6
210.12207	0.5
211.13440	0.9
212.13785	0.4
223.09798	0.2
225.15009	0.2
227.12962	0.4
253.09251	0.2
273.17023	0.3
301.00037	0.2
343.24969	0.5
416.14478	0.2
750.42737	0.2
782.45575	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
59.01377	12.9
61.98833	8.4
71.01376	5.4
73.02959	1.5
75.18712	0.5
75.25272	0.6
76.13068	0.7
78.95882	0.8
78.98587	1.7
79.49503	0.5
79.95744	4.6
80.96513	21.8
81.03500	0.6
81.79970	0.5
83.01395	0.8
85.02953	2.1
87.00875	1.6
89.02429	1.1
94.98080	4.9
95.01431	0.8
97.02961	4.3
97.06545	0.7
99.00868	7.3
101.02446	3.4
106.98125	0.9
108.70851	0.5
109.06605	0.8
113.02458	1.6
122.97583	1.3
125.02482	1.0
125.09730	1.8
134.97591	1.8
136.05344	0.6
136.99202	0.7
142.02719	1.2
145.05083	0.9
147.76717	0.7
148.99144	2.3
152.98639	1.5
161.04594	0.8
163.11287	4.6
164.98595	3.6
181.12338	8.6
189.12967	0.7
199.13377	0.8
206.99667	1.1
207.10251	26.6
208.10641	1.1
225.00725	6.6
225.11310	53.9
226.11598	3.5
229.18114	0.6
235.08180	3.1
243.12338	6.0
253.09254	3.0
255.23412	0.7
277.21707	100.0
278.22049	8.9
293.21100	0.9
411.13931	0.6
443.19153	3.7
461.20221	6.6
462.20343	1.2
513.30505	0.7
525.17041	0.8
721.41687	19.4
722.42029	5.4
781.40424	23.8
782.40594	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	781.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.6
61.98826	39.5
63.96217	1.5
68.99545	3.6
71.01381	13.4
73.02936	1.7
78.95898	8.4
78.98569	3.8
79.95742	7.5
80.02683	1.1
80.96516	40.9
81.03455	3.2
83.01366	1.4
83.05019	4.0
85.02952	2.7
87.00919	1.2
89.02422	4.1
94.98078	9.5
96.96952	1.9
97.02936	6.1
99.00877	1.5
100.28144	1.0
101.02440	5.8
106.98103	1.8
109.06591	34.1
110.03737	1.5
112.98594	1.5
113.02405	1.8
120.14353	1.1
121.06602	1.5
122.97562	1.8
125.02404	1.3
128.81625	1.1
134.97569	3.2
135.08138	3.6
142.02696	1.8
145.04994	1.2
148.99150	3.3
152.98615	3.1
163.11270	17.3
164.11714	1.4
164.98640	7.3
179.05595	1.6
181.12277	4.3
189.09187	3.5
202.99525	1.3
207.10257	100.0
208.10599	5.7
209.11844	7.6
210.81297	1.2
218.92245	1.1
225.00719	9.2
225.11313	34.5
226.11661	2.4
235.08183	3.0
241.01276	1.5
243.12350	1.5
253.09290	13.1
255.23201	5.1
256.23605	2.2
277.21722	73.8
278.22052	8.0
299.14935	2.3
378.51273	1.3
383.35046	1.1
441.34256	1.8
443.19229	5.1
444.20004	1.5
461.20203	13.2
461.53680	1.0
537.48816	1.2
721.41675	28.6
722.42114	8.6
781.40540	46.7
782.40576	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	781.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	13.5
61.98828	40.5
63.96227	1.3
67.40652	1.1
68.77614	1.0
68.99570	9.0
70.64481	1.5
70.64809	2.2
71.01384	11.1
73.02937	2.6
78.95900	10.6
78.98589	3.7
79.73885	1.1
79.95728	9.1
80.96516	52.5
81.03436	2.1
83.01381	1.4
83.05010	2.2
85.02950	4.9
87.00872	4.0
89.02440	2.2
94.98085	12.1
96.96964	3.2
97.02955	4.2
99.00864	1.8
101.02417	5.3
106.98067	2.1
109.06589	16.0
112.98560	6.8
113.02482	2.6
121.06605	1.2
122.97559	3.0
125.02421	2.4
131.81764	1.1
134.97563	3.5
135.08180	2.6
136.54851	1.1
148.99136	3.0
152.98570	4.6
152.99648	1.4
157.59413	1.0
161.04503	1.8
163.11287	9.2
163.12485	1.4
164.98611	9.9
181.12268	2.1
189.09253	2.4
206.99727	2.5
207.10249	48.6
208.10542	3.2
209.11821	9.5
225.00726	16.6
225.11317	17.5
226.11465	1.2
235.08267	7.4
241.01154	4.7
253.09286	11.5
255.23341	6.9
277.21713	100.0
278.22089	7.8
318.17923	1.2
321.95111	1.2
443.19095	3.0
447.98853	1.2
461.20053	3.6
525.16901	1.8
721.41614	24.4
722.41882	6.0
781.40582	68.1
782.40924	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	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01107	1.3
59.01380	17.7
61.89280	0.8
61.98827	18.9
68.38036	0.8
69.17910	4.3
69.18336	4.6
71.01391	6.5
71.05019	1.3
73.02935	1.9
78.98573	3.5
79.95722	6.3
80.96512	34.9
81.03440	1.1
83.01357	0.9
85.02940	2.3
87.00903	1.0
89.02418	2.0
94.98088	7.9
95.01320	0.9
97.02943	9.2
99.00864	9.8
101.02427	4.2
106.04251	0.8
106.98075	1.8
109.06593	1.8
110.03714	1.1
113.02424	1.8
114.45458	0.7
119.03519	1.2
121.65501	0.8
122.97569	2.1
123.04502	0.8
123.08126	1.0
125.02414	2.6
125.09712	2.6
134.97546	2.5
135.08047	1.1
138.00935	1.0
142.02690	2.5
145.10176	0.9
146.61867	0.9
148.99092	2.1
152.98630	3.0
161.04469	1.1
163.11272	8.8
164.11569	1.0
164.98613	5.2
181.12325	15.7
182.12766	1.1
190.51997	0.9
199.13399	1.2
206.99625	1.3
207.10248	50.0
208.10535	3.5
213.87521	0.9
225.00748	8.8
225.11304	100.0
226.11557	6.2
235.08200	2.0
243.12358	11.7
253.09372	1.6
255.23206	1.3
277.21698	91.2
278.22083	9.0
278.57193	0.8
375.72565	0.9
443.19241	4.3
461.20248	44.3
462.20584	4.7
721.41718	28.8
722.42017	7.6
781.40405	38.1
782.40552	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	781.423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.5
60.99296	5.5
61.97858	1.4
61.98829	49.1
67.98808	1.5
69.79950	3.5
69.80369	4.7
71.01383	4.2
72.99310	4.2
75.00868	4.3
80.96510	4.2
83.05024	4.6
87.00851	2.1
88.98809	22.2
89.02418	3.0
96.96029	2.9
101.02416	2.8
153.48495	1.4
163.11246	3.3
169.01424	1.7
171.10202	3.8
183.13953	7.1
209.11833	93.0
210.12195	7.1
211.13388	100.0
212.13768	6.4
225.00891	1.5
227.12865	13.9
235.08250	3.5
253.09277	8.7
300.99829	2.0
315.17523	1.5
337.86301	1.5
443.65573	1.7
445.20804	5.0
447.22299	9.6
448.22372	1.8
639.33600	3.0
677.29144	1.8
781.36914	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	781.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81659	0.9
61.98534	1.4
61.98829	13.8
63.96233	1.7
64.20227	0.9
69.26291	0.9
71.01386	4.7
73.02950	1.4
78.95907	42.7
78.98586	3.9
79.95745	24.3
80.96519	58.4
81.03456	2.8
83.05022	4.9
85.02943	3.1
87.00862	2.2
94.98093	12.0
95.01406	1.1
96.96012	1.3
96.96958	8.9
101.02432	2.6
106.98088	1.9
122.97534	2.7
125.02423	2.1
126.99224	0.9
134.97533	4.1
134.98476	1.5
136.99057	1.4
148.99147	4.6
152.98578	3.8
152.99673	8.9
163.11250	3.6
164.98636	8.9
165.12831	1.9
181.89131	1.0
202.95216	0.9
206.99651	3.3
209.11821	37.6
210.12178	2.5
223.00099	2.7
225.00742	17.7
227.12819	3.5
241.01207	23.5
255.23309	23.4
256.23676	2.7
259.02267	2.7
341.05563	1.6
363.12296	1.6
391.22485	1.1
425.14890	1.7
446.15179	1.0
463.93561	1.0
483.32895	1.2
507.15247	1.2
525.16394	1.4
528.40015	1.1
537.27692	1.6
704.26050	1.1
763.39490	13.6
764.39398	3.9
781.40973	100.0
782.41376	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.406
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91408	0.7
58.00603	0.8
59.01365	0.7
61.98830	42.4
63.96245	1.9
69.03472	1.0
71.01381	7.3
72.99329	1.0
73.02952	1.8
78.91892	1.8
78.95902	11.4
78.98586	7.6
79.95737	25.7
80.96519	82.7
81.03451	1.2
83.05014	1.1
85.02939	3.3
87.00868	3.2
94.98092	19.8
96.96015	1.7
96.96953	3.3
97.02941	1.6
98.93049	0.8
101.02411	2.2
106.98082	3.7
122.97566	4.2
125.02435	3.6
127.03987	1.3
134.97607	6.0
136.99115	1.3
148.99107	6.5
152.98618	8.3
152.99644	2.0
163.11296	1.9
164.98627	13.7
199.13432	1.3
206.99677	5.2
207.10304	1.0
209.11787	9.1
210.22739	0.8
223.13428	1.0
225.00737	25.2
225.11252	1.3
226.01149	1.2
227.12860	1.6
241.01224	5.6
255.23274	10.7
278.22086	0.9
283.04831	1.3
481.13739	1.0
525.16193	1.5
537.27393	1.0
679.36682	1.1
763.39374	14.1
764.39514	4.1
781.40607	100.0
782.41040	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	781.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.6
61.98536	1.3
61.98832	19.4
63.96231	2.0
66.66257	0.7
69.03452	1.4
70.05576	2.6
71.01383	10.8
73.02948	2.3
73.78938	0.7
75.00837	0.7
78.95898	6.0
78.98605	8.1
79.95737	39.3
80.96518	100.0
81.03449	1.4
82.96101	1.0
83.01391	1.2
85.02946	4.1
87.00875	3.6
94.98090	24.9
96.96021	1.8
96.96973	1.3
97.02952	2.6
98.65504	0.7
99.00900	0.8
100.63488	0.8
101.02440	3.1
106.98078	4.3
113.02473	0.8
122.97594	3.6
125.02418	2.8
127.04040	1.2
134.97583	6.4
136.99104	1.0
148.99155	8.7
152.98607	9.5
152.99727	1.0
164.98631	16.2
206.99741	4.2
207.10194	1.2
209.11813	2.8
225.00732	26.7
225.11438	1.2
226.01073	1.5
227.12900	0.9
241.01128	2.2
255.23370	4.5
281.24734	2.8
341.05576	1.9
396.12802	0.9
464.59683	0.7
507.15616	1.3
525.16571	1.2
537.27332	2.1
737.38171	1.2
763.39423	22.3
764.40106	6.3
781.40448	83.1
782.40759	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	781.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.50580	0.6
61.98825	1.1
63.96237	1.7
64.97001	0.6
69.03460	0.9
70.02956	0.6
70.64304	1.6
71.01385	7.3
73.02956	2.0
78.95898	1.5
78.98588	5.7
79.95735	100.0
80.96515	77.3
81.03436	1.0
85.02962	2.0
87.00880	2.4
94.98082	17.2
95.01408	0.7
96.96011	1.8
97.02953	2.5
99.04525	0.9
101.02431	2.7
106.98104	4.3
108.97121	0.7
122.97604	4.0
123.47202	0.6
125.02409	3.7
127.04006	0.8
134.97572	6.6
136.99129	3.5
148.99115	7.0
152.98647	5.8
161.04527	2.9
164.98624	11.4
206.99710	5.0
223.99966	1.7
225.00723	28.0
226.01085	1.1
241.00323	3.1
255.23250	3.5
283.04910	1.6
341.05463	6.2
355.06891	2.0
397.11658	1.0
413.07501	0.8
425.14905	5.7
537.27332	5.4
538.27551	1.2
609.29541	1.6
623.31323	1.1
637.32623	3.0
651.33350	1.1
679.37274	3.2
728.33276	1.0
735.40137	1.9
736.41602	0.9
763.39349	39.0
764.39594	9.0
771.43280	0.9
781.40466	36.2
782.40796	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	779.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95672	0.3
57.03447	0.5
58.00605	0.8
59.01380	14.2
60.99311	3.1
61.98830	4.0
69.03471	0.9
71.01382	12.6
72.06974	0.3
72.99305	1.8
73.02930	2.3
80.02681	1.1
81.03465	1.8
83.01376	1.7
83.05025	5.0
84.02178	0.8
85.02950	2.4
87.00883	3.4
88.98808	19.9
89.02448	12.0
89.03000	0.4
91.04023	0.4
95.01392	0.9
95.05045	0.9
96.96040	0.6
97.02943	2.3
97.06607	0.6
99.00884	0.9
99.04573	0.4
101.02440	9.2
105.01940	0.5
109.06607	0.5
111.04520	0.7
113.02451	6.7
115.03994	0.3
116.92875	1.0
119.03504	2.7
123.00853	0.8
125.02443	6.5
125.06104	0.4
125.09762	1.1
127.11294	1.5
129.01958	0.7
131.03470	0.4
135.04445	0.4
135.08188	0.6
139.03903	0.4
143.03494	1.9
151.03879	0.4
153.09248	0.4
161.04552	2.8
162.00745	0.3
163.11293	3.8
165.12859	2.4
168.06792	0.3
169.01398	1.3
171.10272	68.9
172.10640	3.1
179.05618	3.7
181.12392	0.6
191.10791	0.9
197.11809	0.4
201.11327	0.6
209.11824	100.0
210.12175	7.0
213.11479	0.5
217.07112	0.7
221.06598	1.2
225.11336	0.6
226.68822	0.4
227.12886	14.6
228.13292	1.1
235.06082	0.5
235.08231	4.8
251.12746	0.5
253.09198	1.2
263.07822	0.4
287.07855	2.1
305.08728	1.9
323.09622	0.5
379.12479	7.6
380.13171	0.4
397.13489	33.8
398.13895	3.4
415.08939	0.5
415.14578	9.1
416.14828	1.1
569.24194	1.2
607.26086	1.4
630.92804	0.4
762.53271	0.4
779.36731	0.6
786.12018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
60.99319	0.7
61.98831	100.0
71.01392	0.3
71.15767	0.1
72.99320	0.4
73.02972	0.2
74.66312	0.2
75.00874	0.3
83.17106	0.1
88.98808	4.7
89.02454	0.4
89.99166	0.1
96.96046	0.2
98.20641	0.4
105.01973	0.5
125.02479	0.3
141.01741	0.3
169.01466	0.5
171.10324	0.5
209.11874	1.7
210.12170	0.2
211.13380	0.9
217.08450	0.2
227.12975	0.2
273.17120	0.3
781.34869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
61.98836	5.4
62.79622	0.8
65.00314	1.8
67.01868	1.0
69.03449	1.2
69.16718	5.5
69.17119	1.6
71.01381	5.2
72.99293	2.0
73.02936	0.9
79.01891	1.2
81.03456	1.0
83.01386	2.3
85.02945	3.5
88.98817	8.3
89.02464	1.7
93.03452	2.5
95.01370	3.2
96.95981	1.6
97.02950	2.6
98.20680	1.8
101.02441	5.5
105.03416	1.2
107.01392	10.8
109.02956	1.4
111.00864	3.0
113.02465	6.9
119.04990	1.6
121.02956	7.1
123.00886	15.8
123.04530	1.1
124.01656	2.6
125.02448	74.5
126.02774	3.3
137.02446	2.2
139.00377	7.0
140.01135	3.3
141.01976	1.8
145.02931	1.4
149.02448	2.0
149.99586	1.1
150.03220	0.9
151.00381	11.1
151.03999	1.1
153.01912	1.2
154.99812	1.3
161.02399	4.5
163.03944	2.7
165.01942	16.3
166.02542	1.1
166.99860	4.5
167.03468	1.4
168.00653	7.0
169.01430	100.0
170.01804	3.7
171.10272	2.8
172.10603	0.9
177.01888	1.6
178.34760	0.8
179.03514	7.2
183.02960	5.0
187.06508	0.9
191.03456	2.1
193.01457	5.0
193.05022	1.2
203.03482	1.2
206.02191	1.0
207.02943	1.7
209.11768	4.2
210.12126	1.3
211.02449	1.7
221.01013	0.9
223.02457	1.7
235.02394	2.1
243.02977	1.9
251.05606	1.6
254.02235	1.1
271.02365	5.8
272.03006	1.0
285.04111	1.9
287.05569	1.7
295.04770	4.5
297.06018	1.6
299.02051	4.6
300.02615	3.4
313.05649	38.8
314.04153	2.5
315.05103	25.1
316.05429	2.1
397.13486	0.8
421.07703	8.1
422.08356	1.0
459.09357	2.8
465.06726	73.1
466.07025	10.7
611.10590	4.7
612.10901	1.7
629.11432	10.8
629.31653	2.7
630.12036	1.7
659.87939	0.8
781.12457	17.5
782.12787	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	779.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
60.99305	17.4
61.98829	2.7
71.01394	1.2
72.99297	0.4
85.02948	0.2
87.00880	0.8
88.00377	0.5
88.98805	100.0
89.02419	1.0
89.99134	1.1
96.96023	0.5
97.02958	0.2
101.02462	0.5
105.01926	0.5
116.92895	0.2
125.02446	0.6
135.08286	0.2
143.18631	0.2
169.01387	0.4
171.10268	1.4
192.81950	0.2
197.11699	0.2
207.10249	0.6
209.11865	2.4
211.13226	0.2
225.11502	0.3
227.12869	0.6
229.59097	0.2
397.13513	0.7
406.84238	0.2
415.14505	0.3
443.88791	0.3
478.21567	0.2
766.75183	0.2
779.36810	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15179	1.5
59.01363	1.6
61.98824	3.8
63.96257	2.7
69.21773	1.6
69.56359	1.8
71.01381	5.9
73.02957	1.5
78.95905	12.0
78.98611	4.9
79.95742	15.6
80.96528	71.0
85.02951	2.5
94.98116	14.8
96.03880	2.1
96.96002	3.7
97.02932	2.3
98.20657	4.5
99.00853	1.9
101.02447	2.4
106.98087	3.6
122.97553	3.4
134.97586	6.0
148.99130	5.6
152.98637	6.2
164.98647	12.9
188.60185	1.7
196.89528	8.6
223.13313	2.9
225.00804	16.3
229.41928	2.7
241.01140	2.7
255.23274	5.0
777.41083	100.0
778.41614	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	778.3864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
61.98832	100.0
70.63516	0.2
71.01392	0.2
71.50151	0.2
74.73314	0.2
75.00872	0.6
78.95920	0.8
85.50902	0.2
101.02442	0.3
103.00377	1.0
105.01955	0.6
123.78492	0.2
125.02417	0.3
152.99586	0.4
161.89403	0.2
163.86742	0.2
169.01421	0.2
171.10292	0.5
172.10548	0.2
194.97983	0.2
209.11862	0.6
211.13481	0.3
251.79147	0.2
261.63733	0.2
293.21506	0.2
398.13754	0.2
437.11832	0.2
778.47284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.98547	0.2
64.44892	0.1
70.92511	0.2
70.92834	0.1
85.00893	0.1
124.17828	0.1
127.77277	0.1
136.38367	0.1
136.73595	0.1
152.08284	0.1
165.61757	0.1
173.36092	0.1
183.59616	0.1
265.73132	0.1
293.40378	0.1
424.21802	0.1
445.86017	0.1
762.73907	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79253	0.9
70.52808	1.0
71.01367	1.2
71.60546	0.9
74.38017	1.0
78.95905	53.9
79.95707	1.3
80.96506	2.8
87.13081	1.0
96.96952	4.3
99.08153	2.1
111.08167	1.7
111.38714	1.1
113.09712	2.1
122.97610	2.2
129.09216	4.2
129.37617	1.2
130.23221	0.8
139.11432	1.0
147.71574	1.2
152.99583	62.8
153.99849	1.6
165.12897	1.1
169.12341	2.6
171.00616	6.7
171.10220	1.8
181.12326	3.3
183.13841	1.5
185.11864	0.9
193.12318	2.1
197.11824	15.0
198.12263	1.4
199.13379	4.5
211.13376	13.6
227.03198	5.8
229.15901	1.3
245.04175	1.8
253.21715	27.7
254.22075	3.2
255.23311	21.4
256.23624	2.9
266.17203	1.0
279.23227	1.5
291.19687	1.9
293.21179	13.4
294.21591	1.4
309.20599	3.8
311.22290	31.2
312.22595	3.1
447.21463	6.9
521.25024	3.9
523.09540	1.1
538.25085	3.3
539.26202	100.0
540.26569	14.3
775.47614	78.0
776.48114	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	775.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63244	19.0
60.14865	19.3
61.92660	19.4
61.98843	100.0
67.70622	22.0
70.24376	92.9
78.95895	44.5
108.94254	23.0
211.13394	34.7
277.21780	41.9
329.16119	22.3
518.79907	24.6
691.52185	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	775.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42398	1.0
59.01377	11.3
61.98829	20.7
65.66853	1.0
69.69473	4.2
69.69889	2.4
71.01382	14.8
73.02940	1.7
74.49358	1.2
78.95899	28.1
80.02666	1.8
81.03440	1.9
83.05011	2.6
85.02974	2.6
89.02422	3.7
94.14788	1.1
95.22952	1.0
96.96956	2.5
97.02956	5.5
99.00886	2.0
101.02441	5.0
109.06591	31.2
113.02430	3.6
121.06609	2.3
124.34938	1.1
125.09740	1.6
135.08119	3.6
135.23444	1.0
136.05244	1.7
141.01939	1.1
142.02634	1.7
152.99596	11.7
161.04587	1.2
161.09723	1.9
163.11287	17.6
164.11642	1.4
171.10266	9.8
181.12349	5.3
189.09163	2.8
199.09700	2.1
207.10246	100.0
208.10562	6.3
209.11763	11.1
225.11311	46.1
225.14764	1.9
226.11589	3.1
227.12672	1.7
235.08195	3.1
252.02786	1.2
253.09282	15.5
277.21713	90.4
278.22067	9.5
293.21304	1.6
295.22665	3.0
299.14966	1.5
311.22198	2.6
343.24872	2.9
365.26715	1.2
431.21838	1.4
443.19019	4.6
447.21252	1.3
461.20233	22.9
462.20615	2.5
479.24268	3.1
543.69525	1.1
616.11731	1.2
679.18707	1.3
721.41577	19.5
722.41840	9.6
723.42371	1.7
775.47742	10.7
776.48260	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	775.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13138	3.8
59.01381	9.4
61.98831	64.7
70.92378	8.1
71.01376	11.5
74.21694	4.0
78.46712	4.5
78.95909	57.4
85.02984	4.2
93.52385	3.6
101.02468	4.4
109.79068	3.9
138.01266	4.0
152.99593	26.3
160.82167	4.4
169.01369	5.4
169.12358	7.2
171.10281	24.1
172.10757	5.2
201.54726	4.1
209.11833	100.0
210.12242	9.2
211.13354	12.4
227.12860	27.4
235.08446	5.0
253.09412	20.9
293.21262	82.6
294.21597	7.6
295.22690	6.1
327.21814	5.6
445.20911	7.9
463.21259	6.3
775.42346	46.7
776.43048	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	775.4038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.9
61.98827	96.2
63.43975	2.6
66.31722	2.0
67.05928	2.0
69.03439	2.9
69.84409	12.6
71.01368	10.5
78.95899	54.6
89.02442	3.5
95.05002	2.7
96.43671	2.3
97.02975	2.4
101.02437	5.0
109.06625	2.9
111.43862	2.0
113.02451	3.0
152.99574	24.9
161.04541	2.2
163.11288	6.4
171.10268	20.3
179.05649	3.1
181.08693	4.0
189.09184	3.2
199.09755	11.2
201.11313	4.9
207.10234	28.8
209.11787	3.8
211.13237	3.0
222.21832	2.3
225.11316	81.1
226.11606	4.4
235.08136	9.9
253.09293	16.2
255.23283	5.2
277.21695	100.0
278.21942	11.2
282.19498	2.8
293.21310	3.8
295.22754	5.0
309.20639	3.1
417.17477	4.3
443.18961	10.4
444.19363	2.4
445.19470	3.6
461.20267	24.5
479.23935	4.4
616.23022	3.0
695.40295	20.9
721.41528	36.2
722.42664	13.4
775.49414	12.6
776.48553	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	775.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	49.9
71.01387	6.0
78.95907	39.5
87.00861	4.3
87.79982	5.0
96.96015	100.0
96.96977	15.2
125.02436	5.6
145.84679	4.3
151.11293	5.0
152.99571	14.7
169.01338	9.4
169.12317	10.7
170.12657	5.7
171.10280	8.1
197.11848	6.7
209.11839	14.3
211.13431	36.2
214.11644	4.9
227.12839	9.5
253.09383	5.7
293.21158	14.2
309.20724	17.6
472.76917	5.4
546.36108	5.2
615.23853	6.1
775.41455	19.3
776.42053	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	775.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20326	2.9
56.80875	2.7
57.87147	3.5
59.01384	7.6
61.98827	59.1
69.97160	3.3
71.01377	11.4
71.50441	3.3
78.95913	46.7
83.05021	3.0
87.00838	3.9
96.96963	5.6
101.02461	5.1
105.40965	3.1
109.06610	12.6
137.58678	3.9
151.23460	3.1
152.99577	25.6
163.11273	8.4
171.10263	18.7
191.39264	3.7
199.09747	27.8
201.11330	9.1
207.10260	42.0
209.11754	4.5
225.11313	35.2
225.14819	4.6
228.54231	3.1
235.08203	6.3
243.12129	3.2
253.09297	17.3
255.23326	4.6
277.21646	100.0
278.22009	7.9
290.99725	3.4
295.22751	6.7
311.22284	3.3
315.22931	3.2
329.14749	3.5
357.52893	3.8
367.01489	3.2
435.18533	11.9
441.29733	5.4
443.19016	10.4
461.20108	14.3
479.23862	4.0
695.40015	38.0
696.40350	10.2
721.41486	36.7
722.42078	11.7
739.40906	4.5
775.46637	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	775.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11005	0.4
59.01368	1.3
65.04666	0.4
69.03463	0.5
71.01392	1.9
73.02949	0.5
76.82669	0.4
85.02945	6.6
87.00875	1.2
93.03462	4.6
95.01378	0.7
99.04586	0.4
101.02396	0.7
107.01400	3.9
109.02937	0.9
111.00892	0.8
111.04518	1.1
113.02451	0.8
119.05052	1.0
121.02961	8.5
122.03284	0.4
123.00883	4.9
123.04521	9.1
124.01688	0.5
125.02446	20.0
126.02837	0.5
127.04034	1.7
139.00351	2.0
140.01143	1.2
145.02917	0.8
151.00378	4.3
163.04019	1.5
168.00650	1.2
169.01416	30.9
170.01767	1.0
173.04564	1.3
191.05608	100.0
192.05942	4.5
201.50134	0.4
211.02359	0.6
229.20959	0.4
253.03499	0.5
313.05655	12.2
314.06024	0.6
337.09274	24.7
338.09671	2.1
437.10864	70.2
438.11194	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	773.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06827	1.3
61.98816	1.4
64.95679	1.1
69.17984	1.8
69.18380	8.3
71.24773	1.0
78.95903	54.0
80.96516	2.6
89.62587	0.9
91.59731	1.3
96.96957	3.3
97.06612	1.0
98.19869	2.5
98.86558	1.1
99.08198	1.0
111.08170	12.2
125.09681	1.3
152.99585	67.7
165.12868	2.0
167.01042	1.1
169.12292	4.7
171.00641	6.4
171.10220	2.5
181.12247	1.2
193.12302	2.1
197.11826	50.9
198.12122	3.7
199.13318	1.3
200.01793	1.0
209.11780	2.3
211.13361	6.3
227.03191	4.1
245.04303	1.6
253.21745	29.2
254.22102	3.4
255.23253	12.7
263.20169	1.9
279.23291	12.3
281.66827	1.1
289.18164	1.2
291.19623	8.1
309.20663	12.2
310.20691	1.5
343.24847	4.2
445.19901	5.1
448.79303	1.0
483.27267	3.6
484.19934	1.1
519.23279	3.6
536.23389	1.2
537.24689	100.0
538.24884	15.2
549.20819	1.1
773.46179	57.6
774.46198	20.2
789.00336	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	773.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46119	1.1
69.03441	1.7
69.17721	4.0
69.18130	7.6
70.35081	1.2
78.95908	78.9
80.96504	3.9
83.01320	1.2
83.05034	2.3
96.96960	5.1
97.02962	1.2
97.06615	1.9
109.06572	2.0
110.98543	1.5
111.08164	9.2
123.08105	2.0
125.09702	1.9
134.98442	1.4
152.99594	68.9
153.99973	1.8
163.11259	2.0
165.12787	3.0
169.12323	4.6
171.00627	6.9
171.10323	2.5
193.12296	1.7
193.15825	1.8
197.11841	39.1
198.12206	2.5
199.13428	2.1
209.11823	5.8
210.18053	1.2
211.13437	5.7
225.14803	1.5
227.03307	6.5
245.04401	2.0
247.20471	1.8
253.21761	32.3
254.22046	3.3
255.23318	15.0
263.20328	1.5
273.18732	1.6
279.23288	11.0
281.24698	2.0
291.19656	13.6
292.20041	2.3
307.19141	2.9
309.20667	12.7
310.21164	2.2
343.24719	4.7
398.04950	1.2
437.11752	1.6
445.20029	6.1
483.27167	4.3
484.27286	1.4
519.23602	3.4
536.23755	2.1
537.24689	100.0
538.25073	17.3
773.46161	57.6
774.46704	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	773.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	5.2
60.00825	3.2
61.98830	36.8
89.02445	3.8
96.96016	10.3
113.02445	4.3
125.02444	7.8
139.00844	3.0
142.46606	4.3
149.85788	3.1
159.06381	3.4
169.01311	5.0
171.10268	5.3
199.13261	4.6
202.36380	3.5
209.11824	100.0
227.12883	32.5
235.08231	4.9
253.09296	13.4
289.29132	3.8
327.21820	18.6
445.20801	12.3
469.05231	4.8
469.55170	4.9
570.59943	3.9
574.04260	3.6
637.32593	4.7
773.37054	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	773.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.0
61.98827	78.5
70.50406	17.1
71.01379	19.9
78.95901	55.6
79.95738	6.9
80.96519	6.2
87.00846	5.4
88.98795	15.2
89.02445	5.8
95.58310	4.2
96.20646	4.7
101.02422	6.2
109.06599	13.5
124.51749	5.2
125.02428	25.5
125.61533	4.0
150.73891	4.5
152.99562	21.3
162.86130	4.1
163.11267	8.0
165.54324	5.3
169.01396	29.6
169.12294	9.7
171.10236	19.3
195.13972	8.6
197.11798	13.2
207.10207	59.3
208.10655	6.5
209.11830	37.3
211.13359	12.6
225.11278	25.4
235.08189	5.3
253.09286	31.5
291.19675	12.5
293.21207	100.0
294.21487	7.6
295.22726	17.8
309.20682	7.5
310.21268	6.1
327.21658	9.0
436.72488	4.5
443.18555	6.1
461.20120	11.3
463.21317	5.0
469.05240	42.4
469.55069	21.2
470.05414	7.3
529.30688	5.3
691.72876	5.4
705.73755	5.4
737.41101	40.5
738.41083	8.6
773.39825	42.5
774.40302	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	773.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03445	1.5
59.01384	5.2
59.21444	0.3
61.71905	0.3
61.98824	2.0
64.58601	0.3
68.46501	0.4
69.03438	0.9
70.25926	1.2
71.01382	7.9
71.05004	0.5
73.02950	1.2
80.02663	1.3
81.03468	1.5
83.01382	1.1
83.05033	4.6
84.02175	1.0
85.02953	5.8
87.00890	1.1
89.02446	2.6
90.28035	0.3
95.05021	0.9
96.96008	1.0
97.02952	1.6
97.06573	2.2
99.00928	0.5
101.02433	4.5
109.06577	1.6
111.08135	0.4
111.41331	0.4
113.02448	2.1
116.92841	1.1
117.92808	0.4
118.06550	0.4
119.03510	0.8
125.02421	0.9
125.06096	0.5
125.09712	0.8
127.11275	1.2
135.08125	1.1
137.09749	0.7
145.05046	1.0
155.10759	0.7
155.14439	0.6
159.03136	0.4
161.04579	2.3
163.11269	4.0
165.12836	2.6
169.01387	1.2
171.10266	14.4
172.10646	1.0
179.05644	0.5
181.12376	1.2
183.13863	1.2
185.11899	1.1
191.10840	0.9
193.12355	0.6
193.71474	0.4
197.11807	0.6
199.13399	1.1
201.11314	0.8
207.10278	3.5
209.11823	100.0
210.12186	6.4
211.13377	8.4
212.13602	0.7
221.11742	1.5
225.11295	2.7
227.12866	11.9
227.15135	0.6
228.13184	0.6
229.14406	5.5
235.08203	7.0
236.08559	0.5
239.12956	0.9
243.12453	0.8
253.09274	19.9
254.09657	0.6
291.19635	3.2
309.20737	6.6
310.20923	0.5
327.21756	56.2
328.22092	5.7
400.61816	0.4
436.69363	0.4
445.20691	1.5
449.43250	0.4
469.05167	1.0
469.54938	0.7
519.33264	0.7
545.30017	0.7
563.30853	2.1
564.31219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06809	1.7
56.18180	1.7
57.03452	1.8
59.01402	1.8
61.98822	6.8
71.50237	2.2
78.95907	70.9
80.96487	4.6
81.09509	1.8
96.96984	4.3
97.02946	1.9
110.98493	4.3
111.08141	6.2
119.08675	1.7
125.09715	3.1
127.69828	1.9
129.53793	2.0
135.08138	1.9
137.09737	2.6
151.11179	1.9
152.99580	69.1
161.67912	2.0
165.12730	2.6
167.01155	3.4
169.12297	2.3
171.00670	8.4
171.10277	10.9
185.11830	4.0
194.12318	1.9
195.13936	4.4
196.89432	2.8
197.11813	16.3
209.11877	3.7
211.13374	24.3
223.13312	3.1
227.03204	7.0
253.21701	31.4
254.22173	3.1
255.23244	13.4
277.21759	7.3
278.21988	5.2
279.23157	5.6
281.24277	2.8
289.18118	4.5
291.19641	33.7
292.19965	4.2
293.21182	8.8
309.20758	14.6
310.20978	1.9
316.26514	2.1
342.23993	1.9
343.24313	2.5
410.57840	2.1
445.19800	6.5
510.23157	2.0
519.23456	8.1
520.23883	2.9
536.23126	5.8
537.24603	100.0
538.25037	17.5
609.41608	1.9
737.44165	3.1
773.45972	88.9
774.46320	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	771.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36146	2.5
58.82826	2.9
59.01384	32.2
61.98833	53.0
66.90411	3.3
71.01382	88.7
71.01780	4.2
76.28490	3.0
78.95916	15.6
85.02954	4.1
87.00887	5.0
89.02438	7.1
96.69616	3.2
97.02963	9.6
99.00915	10.6
101.02441	6.7
109.06595	28.9
110.03696	3.6
125.09749	8.4
125.42484	3.3
142.02777	3.5
152.99632	4.9
163.11304	21.4
171.10292	24.5
181.12376	18.0
185.11778	4.2
197.11833	13.8
199.13412	14.8
201.11340	11.2
207.10255	100.0
208.10619	7.2
209.11807	8.9
221.06117	3.8
225.11305	77.0
226.11760	5.8
229.08713	3.8
235.08272	6.1
243.12427	15.3
253.09247	18.8
255.23256	14.3
277.21713	87.6
278.22015	8.8
291.19867	3.8
293.21152	4.4
309.20624	13.4
310.20969	3.3
311.22208	11.7
319.13330	2.7
443.18802	5.4
461.20068	15.9
602.55304	3.2
705.74347	3.3
721.41461	13.3
722.41949	5.1
739.42822	27.7
740.43085	5.1
771.45209	57.9
772.46075	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.3
59.01375	25.7
61.98833	24.4
65.79778	1.8
69.03441	3.3
69.17326	1.9
71.00999	3.6
71.01379	40.5
73.02936	4.6
78.95895	17.4
81.03446	2.1
83.01387	2.6
83.05020	5.7
84.02226	1.9
85.02946	7.2
87.00879	5.0
89.01908	1.6
89.02448	7.5
91.24706	1.9
95.01395	2.2
95.05001	3.3
96.96025	2.4
96.96969	2.2
97.02963	7.5
97.06615	3.0
99.00883	2.7
101.02434	10.4
109.06590	18.5
110.03756	2.1
111.04486	2.4
111.08140	5.2
113.02412	3.9
121.06587	1.9
123.04488	2.5
123.08141	2.1
125.02457	2.8
125.09753	3.0
127.11256	2.4
135.08174	3.5
136.05412	2.1
137.09714	3.2
142.02602	2.7
152.99573	6.8
161.04510	3.1
163.11295	14.7
165.12810	6.4
169.12306	6.4
171.10265	47.9
172.10593	3.5
179.05714	1.8
179.10751	2.3
181.12320	6.8
183.13847	6.2
183.39711	1.9
185.11765	4.6
195.13870	4.2
197.11789	15.4
198.12236	2.9
199.13411	3.1
201.11307	7.9
205.08757	2.3
207.08334	3.7
207.10240	50.4
208.10577	4.6
209.11812	100.0
210.12175	9.3
211.13393	23.6
215.12965	2.0
223.09789	4.3
223.13428	2.3
224.10133	2.1
225.11339	35.5
226.11739	3.1
227.12862	16.8
228.13159	2.2
229.14346	6.2
235.08223	11.8
243.12273	2.6
243.42603	2.6
253.09276	35.0
275.20114	5.3
289.18097	4.3
291.19690	14.7
292.19943	4.5
293.21207	56.5
294.21481	3.3
307.19016	3.9
309.20667	20.7
310.21017	4.3
311.22086	4.5
325.23911	2.4
327.21783	40.3
328.21921	3.2
341.23209	5.2
431.45007	1.9
443.18930	5.2
445.20996	2.4
461.20096	8.0
480.48505	2.2
563.30182	2.1
739.38422	2.5
753.40009	6.9
771.41443	34.7
772.42072	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	771.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.3
58.00577	2.6
59.01381	21.9
61.98821	2.4
69.03464	2.4
71.01382	54.4
72.01693	2.0
73.02940	7.2
80.02683	2.6
81.03465	4.0
83.01389	2.3
83.05021	6.6
85.02930	4.5
86.37848	1.6
87.00880	6.0
89.02461	6.7
90.62133	1.7
95.01366	2.3
95.05026	3.8
96.96025	2.6
97.02953	11.8
97.06600	3.0
99.00867	2.6
101.02448	10.6
109.02990	2.0
109.06586	13.1
111.00849	2.6
111.08173	8.8
113.02458	9.6
119.03508	2.6
122.24760	1.8
125.09705	7.0
127.07655	2.6
127.11291	4.6
135.08185	2.5
137.09689	2.1
143.03532	4.0
145.05037	1.8
147.42006	2.0
153.12880	2.6
155.08118	1.5
161.04575	6.1
161.09721	3.1
163.11290	19.2
165.09135	2.5
165.12788	6.2
169.12350	5.8
171.10272	98.4
172.10599	5.4
179.10844	2.7
181.12367	6.5
183.10217	1.8
183.13876	2.8
185.11790	9.3
189.09183	3.3
197.11827	34.6
198.12099	3.6
199.13321	5.0
201.11327	48.4
202.11546	2.6
207.10262	40.3
208.10582	5.3
209.11829	62.0
210.12154	4.5
211.13440	17.1
215.12848	3.5
225.11322	64.3
226.11652	5.4
227.12872	12.0
235.08226	9.8
243.12338	6.2
247.20641	2.9
253.09262	30.6
254.09669	2.8
263.20178	3.5
273.18469	2.1
289.18091	7.0
291.19650	42.0
292.19907	5.3
304.22174	1.7
307.19183	6.0
309.20709	100.0
310.21213	9.8
319.69147	1.7
341.23245	6.6
423.90173	1.8
443.19333	3.1
461.20386	13.8
462.20367	2.1
753.40070	5.9
771.42285	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	773.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.3
59.01382	1.9
61.98830	4.6
63.34811	0.3
69.03501	0.3
69.27499	0.2
71.01382	6.1
71.50195	0.4
73.02950	0.8
78.95905	11.9
79.95746	3.7
81.03464	0.5
83.05030	0.4
85.02952	0.6
87.00877	0.7
89.02459	0.5
94.98120	0.5
95.05103	0.3
96.96014	100.0
96.96929	13.8
97.02917	0.4
97.06606	0.5
98.50478	0.3
99.00887	0.4
101.02444	1.0
109.06606	1.3
111.00946	0.3
113.02435	0.8
116.98816	0.4
122.60768	0.3
125.02457	0.7
125.09683	0.6
127.07749	0.3
139.11359	0.4
151.11298	0.7
161.04564	0.4
163.11284	1.0
165.12762	0.3
169.01384	0.9
169.12321	2.2
171.10277	7.9
172.10600	0.7
181.12372	0.9
183.13771	0.6
185.11859	0.7
189.65297	0.3
195.13896	0.3
197.11827	1.2
199.13379	0.3
201.11340	2.4
207.10272	3.0
208.10623	0.4
209.11809	4.7
210.12213	0.4
211.13391	2.8
212.13623	0.7
215.12846	0.4
225.11310	4.8
225.13295	0.5
226.11713	0.5
227.12872	1.3
235.08205	1.2
243.12355	0.4
253.09232	3.2
261.15726	0.3
291.19666	0.8
293.21255	3.9
294.21521	0.4
309.20639	0.8
311.22263	8.5
312.22589	0.6
327.21664	0.7
341.23538	0.5
342.23499	0.4
343.24713	0.7
435.08389	0.3
453.09097	0.4
461.20413	0.9
469.05212	1.7
469.55365	0.4
657.31335	0.6
713.30652	0.7
755.42340	0.6
773.42908	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	772.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
61.98831	100.0
69.56911	0.7
69.57320	0.8
71.01386	2.1
73.02952	1.0
77.65693	0.2
78.95902	1.7
85.99482	0.2
96.96033	0.4
99.00922	0.3
99.92587	2.9
100.92583	1.1
102.79419	0.2
109.06600	0.4
116.92863	24.1
116.97284	0.8
117.01950	1.0
117.92872	8.6
118.92715	0.9
118.96954	0.5
119.03495	0.5
125.02429	0.6
152.99554	0.5
169.01492	0.4
171.10342	0.9
197.11832	0.7
198.12207	0.4
201.11301	0.4
207.10316	0.7
208.10690	0.2
209.11903	0.5
211.13289	0.4
225.11409	0.6
225.68979	0.3
291.19760	0.3
292.20132	0.2
293.21234	0.4
309.20789	0.8
310.21085	0.5
327.21902	0.4
339.61850	0.3
345.14716	0.3
408.08234	0.3
469.05234	0.7
520.93011	0.2
570.76312	0.3
572.81311	0.3
772.42303	0.9
773.18958	0.2
773.44196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.4
58.00585	2.4
59.01375	18.6
60.03648	1.6
69.03454	4.2
71.01010	2.6
71.01380	41.3
73.02940	8.0
81.03461	2.4
83.01392	3.8
83.05023	6.3
85.02951	5.5
87.00864	4.2
89.02443	6.9
95.05042	2.5
97.02962	9.7
97.06582	3.4
99.00879	2.0
101.02442	12.2
109.06594	11.4
110.03780	2.4
111.08154	5.4
113.02412	6.5
119.03496	3.0
123.08108	1.7
125.09693	6.0
127.11244	2.1
135.08142	2.8
137.09686	2.3
139.07651	1.9
141.01913	1.5
143.03461	3.4
145.05042	2.3
149.09596	1.7
151.11313	1.6
155.10789	3.2
161.04549	5.3
161.09744	1.7
163.11296	14.6
165.09187	2.2
165.12805	6.9
171.10263	87.4
172.10616	4.8
179.10770	1.8
181.12329	7.1
183.13898	2.6
185.11795	6.3
189.09314	1.8
191.14384	2.8
193.12407	1.9
197.11832	15.9
199.13394	2.3
200.57964	1.6
201.11317	43.7
202.11635	3.1
207.10252	30.2
209.11818	63.3
210.12180	5.0
211.13399	12.4
215.12828	4.2
225.11308	69.7
226.11702	4.3
227.12889	11.8
235.08244	11.9
243.12436	3.0
245.19092	4.0
247.20642	4.4
253.09274	29.0
254.09479	2.2
263.20114	2.3
271.79044	1.9
273.18591	3.1
289.18176	11.8
291.19653	63.0
292.19952	6.0
307.19150	9.2
309.20691	100.0
310.21011	9.3
341.23212	4.1
359.01230	1.6
443.19147	3.5
461.20486	9.8
472.50378	1.5
548.38586	1.8
751.39630	1.7
753.40253	5.7
754.41827	1.6
771.41626	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	771.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03441	1.5
58.00583	1.1
59.01374	10.2
61.98542	1.2
61.98832	17.3
67.75121	1.0
68.48079	0.8
69.03456	1.7
70.92796	1.4
70.93124	1.2
71.01380	100.0
72.01722	2.2
72.99310	1.5
73.02946	3.6
78.95911	3.2
81.03454	2.0
83.01397	1.1
83.05035	1.9
85.02949	3.2
87.00883	2.4
89.02435	3.6
91.72267	0.7
95.01366	1.4
95.05048	1.3
97.02957	4.1
97.06541	0.9
99.00888	2.0
101.02456	6.2
109.06599	14.5
110.03706	1.5
111.08145	6.8
113.02451	4.0
119.03539	1.0
120.24890	0.9
125.02409	1.0
125.06031	1.1
125.09714	3.7
127.11284	2.2
131.31287	0.8
135.08176	2.7
142.02766	1.1
143.03511	1.4
145.05040	1.2
152.81860	0.8
152.99619	2.4
153.09106	1.1
153.12790	1.5
155.10770	1.6
159.01891	0.9
161.04523	2.5
161.09599	1.7
163.11269	9.9
167.10806	1.8
169.12349	4.7
171.10277	34.1
172.10641	1.4
179.05481	1.0
179.10753	1.7
181.12344	5.6
185.11789	2.9
189.09216	2.4
197.11829	49.3
198.12210	2.8
199.13347	5.6
201.09564	1.2
201.11316	16.7
202.11667	1.0
207.10254	38.5
208.10565	2.7
209.11888	2.8
211.13358	6.8
215.12871	1.7
225.11302	39.1
226.11613	1.5
235.08180	3.8
243.12292	4.0
253.09288	14.3
263.20132	2.8
277.21747	1.3
291.19675	15.0
292.19897	1.8
293.21396	1.1
295.81949	0.9
309.20703	42.7
310.21005	3.6
327.21796	1.2
443.19577	2.1
461.20209	8.8
462.20233	1.1
479.21118	1.9
525.07379	1.0
580.67474	1.0
655.06140	1.2
753.40436	5.9
754.40765	2.0
771.41669	13.4
772.41589	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98830	13.1
68.99598	0.2
69.28685	1.0
71.01382	0.5
74.34188	0.1
78.95905	7.6
79.95736	4.4
80.96519	1.3
82.95375	0.2
85.02967	0.2
94.98078	0.4
96.45498	0.1
96.96013	100.0
96.96916	9.6
97.95962	0.4
98.19934	0.3
101.02467	0.2
103.97793	0.2
125.02416	0.4
139.00403	0.1
167.68468	0.1
169.01447	0.3
171.10326	0.4
205.12358	0.2
207.10243	0.3
209.11807	1.7
211.43454	0.1
225.00743	0.3
225.11322	0.4
227.12810	0.3
253.09320	0.2
254.70015	0.2
256.60306	0.1
265.07639	0.2
305.28091	0.1
310.88370	0.1
327.21964	0.5
619.78680	0.2
753.30780	0.2
771.33807	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	771.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47652	0.9
57.03444	1.4
57.96248	0.8
59.01380	10.1
61.98827	23.7
68.99809	1.0
69.03468	1.4
71.01380	100.0
72.01696	1.4
73.02935	4.0
78.95908	4.6
80.96499	0.9
81.03448	1.7
83.01376	1.6
83.05009	2.2
85.02947	2.5
87.00874	2.9
89.02438	3.4
95.05051	1.3
97.02962	5.2
97.06602	1.6
98.19959	2.2
99.00846	1.9
101.02424	6.6
101.04570	0.8
109.06591	13.8
110.03763	1.1
111.08144	8.6
113.02454	3.1
119.03500	1.6
121.06593	1.3
123.08157	0.9
125.06036	0.9
125.09705	3.1
127.07708	0.9
127.11248	2.1
131.24638	0.9
132.81317	0.9
135.08163	2.8
142.02710	1.3
149.09729	0.9
151.11305	2.0
152.99590	2.5
155.10753	1.9
155.36867	0.9
161.04591	2.3
161.09683	1.9
163.11288	10.2
167.10814	1.2
169.12337	4.9
171.10258	35.6
172.10591	3.2
179.10706	2.5
181.12312	5.4
182.12698	1.0
185.11809	2.2
189.09291	1.3
197.11819	46.4
198.12131	3.1
199.09772	1.2
199.13451	6.3
201.09573	1.5
201.11333	16.8
202.11642	1.2
206.08980	0.9
207.10255	37.8
208.10602	2.9
209.11813	3.4
211.13455	7.7
212.13791	1.4
215.12927	2.1
223.09685	2.1
224.10162	1.4
225.11311	34.0
226.11696	2.1
227.12888	2.0
235.08189	4.4
243.12329	3.6
247.20923	0.9
253.09271	15.5
254.09755	1.3
255.00069	0.8
255.23389	1.0
263.20172	3.0
265.17700	1.0
273.18613	1.8
277.21719	2.3
289.18216	1.0
291.19672	13.0
292.19894	2.1
293.20984	1.7
295.10315	1.1
309.20685	48.4
310.21060	6.8
311.22122	1.5
327.21930	1.4
443.19125	2.4
461.20178	9.5
462.19739	1.1
479.21341	1.8
739.42065	1.3
753.40381	5.6
754.41223	2.6
771.41772	18.0
772.41827	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	770.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
59.14497	0.1
61.98832	100.0
62.98530	0.2
63.33656	0.2
75.98228	0.1
77.10188	0.2
78.95897	0.2
80.96518	0.5
108.06572	0.2
205.91292	0.2
211.13531	0.3
212.13828	0.3
229.67000	0.2
277.21930	0.3
278.22067	0.2
297.04291	0.2
369.70700	0.2
372.79852	0.2
622.72705	0.2
771.41895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05353	1.4
57.03459	1.5
57.37073	1.3
59.01384	14.3
61.98834	14.1
66.44849	1.3
66.73621	1.2
67.38908	1.3
68.99812	2.0
69.03455	3.0
69.57049	6.2
71.01383	54.1
72.99303	2.3
73.02947	4.4
78.48651	1.2
78.95913	2.7
78.97654	1.3
79.95740	1.5
80.96510	5.6
81.03468	2.4
83.01395	1.7
83.05042	4.3
85.02954	5.6
87.00880	3.9
89.02443	7.7
95.01396	1.8
95.05038	1.8
97.02936	3.8
97.06586	4.3
99.00890	3.1
99.35278	1.3
101.02455	10.0
103.04129	1.6
109.06570	2.7
111.04552	3.6
111.08184	2.7
113.02451	5.0
123.04523	2.2
123.08143	1.6
125.09709	7.0
127.11275	1.7
129.71518	1.3
135.08208	2.7
137.09747	2.3
139.07668	2.1
139.11299	1.4
145.05083	3.1
151.11252	4.2
153.12885	2.0
155.10786	4.6
161.04564	3.8
161.09744	2.4
163.11320	6.6
165.09102	1.8
165.12836	4.2
169.12344	19.0
170.12778	1.6
171.10275	35.4
179.10783	4.0
179.76358	1.5
181.12379	3.9
183.10197	3.2
185.11858	5.5
189.09155	1.4
191.14410	2.3
194.40312	1.4
195.10152	1.6
197.11819	48.8
198.12224	2.4
199.09737	2.3
199.13359	1.4
201.11337	11.4
205.08681	6.7
207.10240	13.8
209.11807	59.4
210.12186	5.3
211.13429	1.5
213.11458	7.9
223.09740	11.7
225.11346	14.5
227.12947	8.7
235.08180	5.1
245.19081	3.4
253.09276	19.1
258.99289	1.5
277.21710	100.0
278.22122	10.8
287.16611	2.3
289.17990	12.2
291.19638	6.6
305.17661	3.3
307.19107	9.8
308.19492	2.1
309.20728	15.8
323.18643	3.3
439.07330	1.7
459.18747	2.5
461.20313	2.9
651.57367	1.5
737.41101	73.8
738.41547	17.8
751.38965	5.4
769.42969	48.3
770.43518	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	770.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.8
59.01349	2.5
61.98808	1.1
67.95037	0.7
71.01355	0.6
71.50075	1.0
78.95905	42.7
79.95724	0.8
80.96499	2.8
82.96067	1.9
82.96965	0.6
83.04998	1.1
85.01183	0.6
94.98093	0.6
96.96996	2.9
96.97550	0.6
97.06538	1.1
99.08115	1.3
110.98532	3.0
113.09739	3.4
117.07097	1.1
119.08651	2.1
125.09686	1.8
129.09224	0.9
135.08150	1.8
145.85818	0.6
150.34856	0.6
152.99593	32.4
169.12321	0.7
171.00615	1.7
171.10292	6.7
177.12775	1.2
179.14406	1.4
180.91866	0.6
181.12355	1.2
183.13928	3.5
193.12285	1.5
195.13905	19.6
196.14284	1.3
197.11836	1.6
199.13412	1.0
209.11671	0.7
211.13368	1.8
225.14922	1.0
227.00455	1.0
227.03201	0.9
243.16252	0.8
253.21692	5.1
255.23392	2.1
277.21725	27.4
278.22113	2.2
279.23291	17.7
280.23666	1.5
281.24850	1.1
288.16745	0.8
289.18069	4.4
293.21246	3.7
295.22787	100.0
296.23145	10.8
297.24405	0.8
307.19235	1.3
309.20541	1.2
311.22226	7.4
312.22382	0.9
341.23340	3.3
343.24948	4.1
418.23849	1.0
474.26425	2.8
492.27423	1.8
517.22156	1.0
534.22314	0.9
535.23059	14.8
595.93036	0.7
770.50128	62.0
771.49762	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	16.0
71.01380	9.0
71.49639	8.1
77.40569	4.9
78.43844	4.5
78.95893	27.1
79.95746	11.8
80.96531	37.8
82.96117	30.3
83.43195	5.8
85.02920	7.2
94.98070	9.8
96.97626	4.9
125.02430	6.2
134.31581	5.0
134.97623	6.8
152.99638	6.6
164.98666	9.7
188.56979	5.0
196.89507	12.7
209.11801	20.0
225.00639	10.0
245.69165	4.7
255.23335	13.8
276.50229	5.2
277.21692	9.0
279.23218	9.0
293.21198	8.6
295.22784	9.3
377.12610	5.6
638.41608	5.3
697.61530	5.9
751.38562	10.5
769.40674	100.0
770.41876	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	769.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27407	0.5
57.03437	1.5
59.01379	23.2
61.98829	4.4
71.01382	13.4
71.50220	0.8
72.99293	0.8
73.02953	1.5
78.95891	0.7
80.02669	0.8
81.03466	1.4
83.01384	1.0
83.05030	4.0
84.02149	0.8
85.02969	1.6
87.00869	1.8
89.02446	3.0
95.01414	0.7
95.05052	1.6
97.02946	1.4
97.06586	2.9
99.00922	0.7
101.02428	4.8
107.05049	0.7
109.06600	2.1
111.04521	1.6
111.08164	4.7
113.02460	2.7
121.06609	0.9
123.08209	1.4
125.02464	1.3
125.06039	0.6
125.09705	3.0
127.11248	1.0
135.08162	1.0
137.09705	1.6
139.07654	1.1
145.14935	0.6
147.17831	0.6
151.11264	0.9
152.99651	0.8
153.09122	0.7
161.04523	1.4
161.09732	0.9
163.11316	4.8
165.12823	2.6
167.10780	1.0
169.12299	0.9
171.10280	17.2
177.09274	0.7
177.12769	0.6
179.10860	1.8
181.12340	1.6
183.10210	0.9
185.11790	1.2
191.10812	1.2
195.13889	2.6
197.11806	3.9
201.11267	2.9
203.14423	0.6
205.08658	1.4
207.10277	4.5
209.11827	100.0
210.12190	7.9
211.13434	1.7
213.11324	1.0
215.12869	1.1
219.17191	0.6
221.11848	1.9
223.09763	2.8
225.11417	4.5
225.14836	0.8
226.11591	0.7
227.12883	12.3
228.13170	0.9
235.08165	3.1
239.12878	1.3
241.14435	2.4
243.12105	0.7
243.17589	0.6
247.20618	1.8
253.09305	11.7
254.09608	0.8
273.18515	0.7
287.16394	1.6
289.18149	1.1
291.19666	51.1
292.19974	5.8
293.21075	1.0
305.17615	2.7
307.19153	2.4
309.20697	4.8
311.22333	1.4
323.18768	1.3
323.22137	5.3
325.20142	0.9
341.23260	6.6
342.23666	1.0
445.20901	1.3
459.18643	1.1
461.20328	1.1
527.28589	4.2
528.28729	1.0
606.10590	0.7
751.39703	2.1
769.40649	4.6
770.41486	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	769.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68025	1.0
57.03443	1.3
58.00593	1.4
59.01373	7.6
61.98837	5.0
62.08400	0.9
62.29315	1.0
66.92361	0.9
69.03455	5.4
70.80375	1.3
70.80697	1.5
71.01378	8.8
71.05000	1.8
73.02928	1.2
85.02958	1.5
87.00865	1.2
89.02472	2.4
97.02972	1.2
97.06570	1.9
101.02422	4.7
111.08174	5.6
113.02428	2.3
119.03476	1.3
123.08160	1.8
125.09702	3.7
135.08160	1.6
146.65836	0.9
149.09772	1.1
151.11266	3.0
153.12817	1.3
161.04550	1.1
161.09721	4.0
163.11177	1.0
169.12312	3.7
171.10300	8.7
179.10756	8.0
181.12328	2.2
197.11826	81.8
198.12158	5.5
199.13455	2.8
207.10249	4.5
209.11748	5.6
211.13387	4.1
213.11197	1.1
223.09740	3.5
225.11366	7.3
227.12900	1.9
235.08354	1.0
241.10791	4.1
243.12544	1.6
253.09291	5.8
263.20181	1.5
265.18134	1.1
289.17984	1.6
291.19656	4.1
307.18982	2.2
309.20807	6.6
373.85510	1.0
444.71719	1.0
459.18765	1.6
461.20233	1.3
477.19617	1.4
660.83936	1.3
674.49261	1.0
769.40094	100.0
770.40491	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	770.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.01376	1.4
59.73240	0.2
61.98831	100.0
62.98552	0.2
63.99256	0.3
65.99247	0.2
69.03462	0.3
71.01378	1.7
71.01669	0.1
71.05050	0.3
71.51624	0.3
71.51990	0.2
72.99330	0.2
73.02963	0.3
78.95923	0.3
79.95749	0.3
80.02688	0.2
80.91691	0.3
80.96514	0.9
81.03484	0.3
83.01404	0.2
83.05045	0.5
84.02175	0.2
85.02959	0.8
87.00887	0.5
89.02451	0.7
89.16023	0.2
94.98092	0.2
95.01417	0.3
95.05019	0.2
96.96017	1.9
97.02979	0.5
97.06590	0.4
99.00895	0.5
101.00238	0.1
101.02440	0.8
109.03030	0.2
109.06590	1.8
110.03730	0.2
113.02468	0.4
119.03529	0.3
121.06612	0.2
123.00853	0.2
125.02471	0.3
125.09696	0.3
126.90495	0.2
135.08183	0.3
135.34163	0.1
137.09819	0.2
161.04543	0.3
161.11232	0.2
163.11263	1.4
169.01459	0.5
169.12523	0.2
169.23175	0.2
171.10257	3.2
172.10484	0.2
179.05620	0.2
181.12323	0.6
185.11812	0.4
197.11833	0.7
199.13562	0.2
201.11392	0.5
207.10263	5.3
208.10645	0.2
209.11818	6.2
210.12178	1.1
211.13435	1.6
221.11974	0.3
225.11320	4.5
226.11594	0.4
227.12859	1.2
229.14412	0.4
235.08182	1.0
243.12500	0.3
249.95419	0.2
253.09290	2.6
287.16644	0.4
288.16815	0.3
289.18164	0.6
290.18668	0.3
291.19806	0.5
300.99921	0.2
305.17679	0.5
306.17987	0.2
307.19055	0.2
309.20679	0.7
325.20142	1.2
327.21753	5.7
440.34583	0.2
443.19214	0.2
461.20346	1.2
462.13275	0.2
462.20377	0.3
517.31775	0.2
563.30914	0.3
625.02802	0.2
659.17462	0.2
681.64111	0.2
753.41583	0.4
770.33618	0.3
771.42316	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	770.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59817	0.1
59.01381	0.3
61.98830	100.0
62.98538	0.4
63.99254	0.2
71.01391	0.6
71.13721	0.2
73.02945	0.2
78.91892	0.2
78.95916	0.5
78.98621	0.3
79.95721	0.9
80.96523	3.2
82.96099	0.2
94.98109	0.6
96.96019	0.7
97.02982	0.2
113.02505	0.2
116.94700	0.1
118.57819	0.1
122.97604	0.3
124.32562	0.2
125.02472	0.5
134.97594	0.2
146.04611	0.2
146.58110	0.2
148.99132	0.3
159.51666	0.2
164.98627	0.4
169.01477	0.2
209.11887	0.7
216.99687	0.2
225.00664	0.9
227.12932	0.2
440.52994	0.2
753.30579	0.2
770.33441	3.1
771.33545	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	769.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	41.4
65.95860	5.7
71.01377	12.0
71.49437	6.6
73.05384	5.8
78.95885	16.6
79.95753	8.0
80.96519	50.8
82.96091	26.2
86.94193	6.9
87.00882	7.7
94.98057	10.6
99.51107	6.6
135.93431	6.9
154.07446	6.6
163.05289	6.4
209.11780	18.1
227.00275	13.7
251.91006	7.1
255.23296	23.4
279.23145	10.2
293.21155	9.6
328.12000	6.9
582.49536	7.3
769.40955	100.0
770.39990	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	767.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03434	3.1
58.00590	1.1
59.01377	13.5
61.98833	5.8
65.03960	1.3
69.03459	5.0
70.98061	2.3
71.01382	12.8
71.05022	1.2
72.99306	1.3
73.02950	5.1
80.02667	1.2
80.91722	1.0
81.03468	4.3
83.01392	1.8
83.05016	7.0
84.02166	1.4
85.02483	1.1
85.02927	6.6
85.83783	0.9
87.00854	3.5
88.98807	3.0
89.02447	6.1
93.03442	1.9
94.40330	0.8
95.01385	1.2
95.05003	5.1
97.02949	10.0
97.06589	4.1
99.00882	1.6
101.02426	8.8
107.05048	1.3
109.06564	3.3
110.03703	2.3
111.04484	1.9
111.08168	1.5
113.02471	4.8
119.03484	1.8
121.06604	1.2
123.04556	2.3
123.08144	2.4
125.02453	1.4
125.09747	5.2
136.05219	1.0
137.09698	3.7
145.05132	1.9
149.09650	1.9
161.04514	3.2
163.11281	3.5
165.12874	5.3
167.10751	3.5
171.10329	8.3
175.04036	0.8
177.12833	8.3
179.05560	1.7
179.10748	1.6
179.14362	3.6
181.12302	2.6
183.13940	2.0
185.11743	3.4
191.10750	1.0
191.14410	2.9
193.12306	3.6
195.13913	7.7
197.11795	4.2
203.10811	2.7
205.12311	5.9
207.10226	3.9
209.11818	10.4
211.13370	8.3
219.10240	1.0
221.11813	64.8
222.12158	4.8
223.13388	42.7
224.13705	4.2
225.11238	1.8
227.12891	3.7
235.08145	7.9
237.11223	1.2
239.12881	100.0
240.13234	7.0
241.14459	1.8
245.19145	3.0
247.20657	3.8
253.09273	24.1
254.09592	1.6
263.20197	1.2
273.18567	1.4
289.18076	16.1
290.18372	2.1
291.19653	37.2
292.19955	4.1
307.19156	12.4
309.20697	52.7
310.21185	5.5
457.20822	4.4
475.21765	11.6
545.29846	1.1
767.42017	10.2
768.42896	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	767.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87894	0.6
59.01379	0.7
63.96242	1.2
69.03455	1.2
71.01385	9.6
73.02931	2.2
78.95901	1.8
78.98580	7.1
79.95734	14.0
80.96515	81.2
81.03410	0.7
85.02941	3.9
87.00885	2.9
94.98089	20.3
96.96003	1.3
97.02990	1.6
98.19907	2.0
99.00888	0.7
101.02460	1.9
106.98077	3.5
110.50742	0.7
122.97593	3.9
125.02398	3.2
127.04037	1.2
134.97588	6.5
136.99121	2.0
148.99135	6.8
152.98633	6.2
152.99675	0.7
164.97330	1.0
164.98622	13.1
189.50456	0.6
196.89543	0.9
197.11823	2.6
202.60707	0.6
206.99640	3.1
225.00731	17.8
226.00992	0.8
255.23267	2.3
279.23352	2.4
464.52487	0.6
511.18469	2.6
537.27478	1.2
631.28558	0.6
767.42474	100.0
768.42603	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73260	0.3
58.02977	10.2
70.02987	4.8
71.51160	0.5
72.00913	4.1
79.76937	0.4
83.38403	0.3
85.02902	0.3
91.05532	3.6
121.60561	0.4
123.00909	0.5
124.01676	0.5
125.02477	0.8
128.01071	0.3
139.00366	0.4
139.43475	0.4
147.04532	21.7
148.04884	0.8
148.43437	0.4
162.09258	0.6
164.07175	57.4
165.07504	3.1
169.01512	0.8
173.75754	0.4
206.08228	100.0
207.08566	6.2
250.07240	1.0
300.99820	0.6
314.16986	0.4
351.73340	0.4
383.13626	0.6
472.11185	0.4
503.27301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
61.43176	0.2
61.98831	100.0
62.98563	0.2
81.43177	0.1
106.21704	0.2
158.96716	0.1
200.49132	0.1
264.37674	0.1
402.00342	0.2
406.00153	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.0
61.98830	100.0
63.96223	1.4
71.01375	7.4
73.02950	1.7
78.95911	1.1
78.98594	5.5
79.95736	13.4
80.96516	61.6
81.03443	1.2
83.05011	0.7
85.02955	2.4
87.00887	2.8
88.98867	0.6
94.98086	14.2
96.96008	2.5
97.02944	1.4
98.20654	1.2
101.02444	2.4
106.98087	2.9
118.13243	0.6
122.97572	3.0
125.02436	3.6
134.97585	5.3
136.99123	1.1
148.99110	6.3
152.98618	4.6
164.98618	11.5
167.00209	0.9
169.01450	0.7
176.23480	0.5
188.98755	0.5
196.78101	0.6
206.99657	3.7
209.11813	5.1
210.12170	1.3
225.00723	20.3
257.32159	0.5
509.16913	2.2
541.19482	1.7
555.01483	0.6
769.33185	78.2
770.33521	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	769.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38960	2.3
57.03454	4.8
57.81463	1.9
59.01379	41.0
61.98821	3.8
66.72570	2.0
68.99802	10.0
69.03452	4.7
70.81381	2.6
70.81730	4.2
71.01381	47.5
72.99294	5.1
73.02930	4.2
76.18328	1.9
83.01370	4.9
83.05019	9.0
85.02960	7.9
87.00878	5.1
88.52107	2.1
89.02436	7.9
95.01418	2.0
95.05004	4.3
97.02945	15.6
97.06611	5.5
101.02444	11.8
109.02949	2.9
109.06586	5.7
110.03755	5.5
111.00887	2.3
111.04523	24.9
111.08181	4.6
113.02448	6.1
122.03720	3.3
123.04523	5.9
123.08112	4.2
125.02397	2.7
125.06062	2.6
125.09689	14.6
135.08171	3.5
137.09706	5.5
139.11256	2.2
149.09753	2.2
151.11273	4.8
152.09747	2.0
153.09210	6.1
155.10789	8.0
161.04485	2.7
161.09727	13.3
163.11252	11.5
164.91049	2.0
165.12856	6.7
169.12244	2.2
171.10268	100.0
172.10641	4.9
177.09219	8.1
179.10721	20.1
181.12328	5.0
183.13837	2.1
183.61804	2.0
185.11809	5.5
187.09810	2.4
191.10776	2.6
193.12413	2.5
195.10255	4.2
197.11803	16.6
199.09721	5.0
201.03278	2.1
201.11357	4.5
205.08714	27.3
207.10312	11.0
209.11826	41.3
210.12221	3.7
211.09795	2.2
211.13376	6.3
213.11278	15.4
220.99889	2.1
221.11832	3.5
223.07578	4.4
223.09750	83.2
224.10121	5.0
225.11272	14.8
227.12923	7.3
232.85791	2.0
235.08189	9.2
239.12857	2.3
241.10785	4.8
247.20663	4.3
253.09305	30.8
273.18497	2.2
287.16003	2.2
289.18127	8.6
291.16333	2.6
291.19653	52.6
292.19940	4.9
305.17352	2.4
307.19223	7.7
309.20682	83.4
310.21045	9.1
338.58783	2.3
407.18979	2.8
441.17575	6.7
459.18808	16.6
725.37280	3.3
738.85712	2.2
751.39075	22.8
752.39398	6.7
769.40143	36.8
770.40704	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	769.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03437	1.3
57.39462	0.6
58.00601	0.8
58.44284	0.6
59.01379	9.3
61.98831	11.9
66.67760	0.6
67.01904	0.7
69.03455	4.2
71.01380	7.4
71.05018	2.4
72.99307	1.3
73.02940	1.8
79.89785	0.6
80.02670	0.6
80.91444	0.6
81.03438	1.0
83.01395	0.9
83.05042	1.7
85.02960	1.7
87.00874	1.3
87.71785	0.8
89.02436	3.8
95.01404	1.5
95.05038	0.8
97.02916	1.0
97.06584	1.9
101.02426	3.9
109.06602	1.7
109.90074	0.6
111.00779	0.7
111.04508	0.7
111.08147	3.9
113.02438	2.8
119.03471	0.8
123.08150	1.4
125.02451	0.6
125.09722	3.4
126.95136	0.7
135.08235	0.7
137.09718	0.8
151.11308	2.3
153.12837	1.8
161.04552	2.0
161.09756	3.4
163.11238	2.2
165.12856	0.9
167.10701	0.6
169.12337	3.5
171.10283	9.1
179.10791	7.0
180.11102	0.8
181.12341	0.9
185.11794	1.3
187.94290	0.6
191.14587	0.7
195.13965	0.7
197.11823	100.0
198.12132	6.2
201.11296	2.3
205.08800	0.7
207.10226	3.1
209.11812	13.9
210.11995	0.7
211.13425	2.6
221.11832	0.7
223.09763	3.9
223.13307	1.2
225.11295	5.2
225.73553	0.7
227.12833	2.9
235.08203	2.9
235.13435	1.1
239.12895	0.7
241.10915	3.4
247.13332	1.4
253.09317	6.6
254.09633	0.9
263.20013	1.2
287.16522	0.8
289.18149	5.1
290.18219	0.9
291.19617	2.2
305.17593	2.0
307.19119	3.1
309.20715	5.7
310.21030	0.8
316.43005	0.6
459.18793	2.1
461.19794	0.9
477.19727	2.8
574.27515	0.7
607.34143	0.9
751.38684	1.9
769.40161	89.8
770.40454	26.5
END